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 1ojn_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWWDYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPFKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAFG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK LEQ 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 0.000 176.132 176.094 0.062 0.000 1.182 170 V CA 0.000 62.328 62.300 0.047 0.000 1.235 170 V CB 0.000 31.853 31.823 0.049 0.000 1.184 171 K N 3.505 123.934 120.400 0.049 0.000 2.349 171 K HA 0.535 4.854 4.320 -0.001 0.000 0.289 171 K C -0.631 176.001 176.600 0.054 0.000 1.064 171 K CA 0.104 56.421 56.287 0.050 0.000 0.947 171 K CB 0.549 33.067 32.500 0.031 0.000 1.007 171 K HN 0.907 nan 8.250 nan 0.000 0.478 172 D N 1.024 121.465 120.400 0.067 0.000 3.103 172 D HA -0.015 4.624 4.640 -0.001 0.000 0.337 172 D C 0.790 177.087 176.300 -0.005 0.000 1.356 172 D CA -0.373 53.652 54.000 0.042 0.000 0.951 172 D CB -0.007 40.851 40.800 0.097 0.000 1.438 172 D HN 0.364 nan 8.370 nan 0.000 0.562 173 T N -2.754 111.727 114.554 -0.121 0.000 2.881 173 T HA -0.165 4.184 4.350 -0.001 0.000 0.270 173 T C 1.557 176.148 174.700 -0.181 0.000 1.068 173 T CA 1.198 63.181 62.100 -0.194 0.000 1.131 173 T CB -0.776 67.900 68.868 -0.319 0.000 0.871 173 T HN 0.378 nan 8.240 nan 0.000 0.479 174 Y N 2.777 123.084 120.300 0.012 0.000 2.163 174 Y HA -0.044 4.505 4.550 -0.001 0.000 0.288 174 Y C 3.273 179.186 175.900 0.023 0.000 1.136 174 Y CA 1.385 59.491 58.100 0.010 0.000 1.147 174 Y CB -1.258 37.204 38.460 0.004 0.000 0.987 174 Y HN 0.457 nan 8.280 nan 0.000 0.509 175 T N -2.837 111.826 114.554 0.181 0.000 2.915 175 T HA -0.138 4.211 4.350 -0.001 0.000 0.269 175 T C 1.393 176.151 174.700 0.097 0.000 1.071 175 T CA 1.421 63.597 62.100 0.127 0.000 1.132 175 T CB -0.356 68.573 68.868 0.102 0.000 0.878 175 T HN 0.149 nan 8.240 nan 0.000 0.479 176 D N 1.227 121.666 120.400 0.066 0.000 2.117 176 D HA -0.040 4.599 4.640 -0.001 0.000 0.197 176 D C 2.486 178.830 176.300 0.074 0.000 0.987 176 D CA 0.820 54.850 54.000 0.051 0.000 0.829 176 D CB -0.163 40.647 40.800 0.016 0.000 0.961 176 D HN 0.261 nan 8.370 nan 0.000 0.460 177 R N 0.272 120.816 120.500 0.074 0.000 2.092 177 R HA 0.014 4.353 4.340 -0.001 0.000 0.231 177 R C 2.524 178.915 176.300 0.151 0.000 1.119 177 R CA 0.288 56.444 56.100 0.094 0.000 0.970 177 R CB -0.798 29.541 30.300 0.066 0.000 0.864 177 R HN 0.318 nan 8.270 nan 0.000 0.440 178 L N 0.708 122.022 121.223 0.152 0.000 2.141 178 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 178 L C 1.802 178.809 176.870 0.228 0.000 1.094 178 L CA 1.024 55.988 54.840 0.208 0.000 0.763 178 L CB -0.405 41.754 42.059 0.166 0.000 0.908 178 L HN 0.052 nan 8.230 nan 0.000 0.437 179 D N 0.154 120.649 120.400 0.158 0.000 2.117 179 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 179 D C 1.734 178.119 176.300 0.140 0.000 0.987 179 D CA 1.183 55.258 54.000 0.126 0.000 0.829 179 D CB -0.105 40.745 40.800 0.083 0.000 0.961 179 D HN 0.288 nan 8.370 nan 0.000 0.460 180 D N -0.160 120.337 120.400 0.162 0.000 2.117 180 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 180 D C 1.887 178.335 176.300 0.246 0.000 0.987 180 D CA 0.425 54.532 54.000 0.178 0.000 0.829 180 D CB -0.436 40.466 40.800 0.169 0.000 0.961 180 D HN 0.419 nan 8.370 nan 0.000 0.460 181 W N 1.765 123.104 121.300 0.067 0.000 2.358 181 W HA -0.182 4.477 4.660 -0.001 0.000 0.303 181 W C 1.444 178.005 176.519 0.070 0.000 1.208 181 W CA 0.720 58.104 57.345 0.065 0.000 1.274 181 W CB -0.014 29.481 29.460 0.058 0.000 1.138 181 W HN -0.062 nan 8.180 nan 0.000 0.515 182 N N 0.459 119.235 118.700 0.127 0.000 2.223 182 N HA -0.123 4.616 4.740 -0.001 0.000 0.185 182 N C 1.869 177.371 175.510 -0.015 0.000 1.016 182 N CA 1.829 54.883 53.050 0.006 0.000 0.863 182 N CB -1.260 37.279 38.487 0.087 0.000 0.983 182 N HN 0.266 nan 8.380 nan 0.000 0.429 183 G N 0.307 109.136 108.800 0.048 0.000 2.484 183 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.218 183 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.218 183 G C 1.580 176.569 174.900 0.148 0.000 1.130 183 G CA 0.173 45.345 45.100 0.119 0.000 0.784 183 G HN 0.267 nan 8.290 nan 0.000 0.543 184 I N 0.746 121.305 120.570 -0.018 0.000 2.494 184 I HA 0.083 4.252 4.170 -0.001 0.000 0.250 184 I C 2.472 178.421 176.117 -0.280 0.000 1.112 184 I CA 0.544 61.769 61.300 -0.125 0.000 1.438 184 I CB -0.004 37.903 38.000 -0.156 0.000 1.111 184 I HN 0.241 nan 8.210 nan 0.000 0.431 185 I N -1.854 118.427 120.570 -0.481 0.000 3.251 185 I HA 0.202 4.371 4.170 -0.001 0.000 0.277 185 I C 1.819 177.778 176.117 -0.263 0.000 1.268 185 I CA 0.958 61.974 61.300 -0.473 0.000 1.449 185 I CB -0.032 37.547 38.000 -0.701 0.000 1.083 185 I HN 0.061 nan 8.210 nan 0.000 0.464 186 A N 1.028 123.747 122.820 -0.168 0.000 1.773 186 A HA 0.544 4.863 4.320 -0.001 0.000 0.210 186 A C 1.758 179.346 177.584 0.006 0.000 1.775 186 A CA 0.627 52.597 52.037 -0.110 0.000 1.157 186 A CB -0.292 18.683 19.000 -0.040 0.000 1.119 186 A HN 0.711 nan 8.150 nan 0.000 0.501 187 G N 0.864 109.746 108.800 0.137 0.000 2.198 187 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.257 187 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.257 187 G C 0.441 175.603 174.900 0.438 0.000 1.042 187 G CA 0.635 45.953 45.100 0.363 0.000 0.791 187 G HN 0.371 nan 8.290 nan 0.000 0.502 188 N N 0.395 119.268 118.700 0.288 0.000 2.272 188 N HA -0.136 4.604 4.740 -0.001 0.000 0.185 188 N C 2.463 178.006 175.510 0.056 0.000 1.014 188 N CA 1.698 54.884 53.050 0.225 0.000 0.870 188 N CB -0.240 38.323 38.487 0.127 0.000 0.975 188 N HN 0.955 nan 8.380 nan 0.000 0.433 189 Q N -0.533 119.204 119.800 -0.106 0.000 2.291 189 Q HA -0.133 4.206 4.340 -0.001 0.000 0.206 189 Q C 0.633 176.463 176.000 -0.282 0.000 0.976 189 Q CA 1.227 56.871 55.803 -0.265 0.000 0.875 189 Q CB -0.313 28.154 28.738 -0.450 0.000 0.927 189 Q HN 0.433 nan 8.270 nan 0.000 0.450 190 Y N -1.062 119.288 120.300 0.083 0.000 2.462 190 Y HA 0.173 4.721 4.550 -0.002 0.000 0.261 190 Y C 0.257 176.138 175.900 -0.032 0.000 1.146 190 Y CA -1.146 56.981 58.100 0.046 0.000 1.283 190 Y CB -0.174 38.342 38.460 0.094 0.000 1.090 190 Y HN 0.113 nan 8.280 nan 0.000 0.526 191 Y N 2.535 122.758 120.300 -0.127 0.000 2.702 191 Y HA 0.174 4.723 4.550 -0.002 0.000 0.336 191 Y C -0.166 175.593 175.900 -0.236 0.000 1.235 191 Y CA -0.168 57.684 58.100 -0.414 0.000 1.492 191 Y CB 0.380 38.460 38.460 -0.632 0.000 1.308 191 Y HN 0.084 nan 8.280 nan 0.000 0.589 192 D N 3.023 122.756 120.400 -1.111 0.000 2.602 192 D HA 0.134 4.773 4.640 -0.001 0.000 0.245 192 D C 0.345 176.073 176.300 -0.953 0.000 1.325 192 D CA 0.011 53.573 54.000 -0.730 0.000 0.952 192 D CB 1.137 41.711 40.800 -0.377 0.000 1.317 192 D HN 0.521 nan 8.370 nan 0.000 0.577 193 S N 3.335 118.640 115.700 -0.658 0.000 2.440 193 S HA -0.175 4.295 4.470 -0.001 0.000 0.238 193 S C 1.277 175.739 174.600 -0.229 0.000 1.010 193 S CA 0.743 58.740 58.200 -0.337 0.000 0.972 193 S CB -0.150 63.015 63.200 -0.058 0.000 0.774 193 S HN 0.510 nan 8.310 nan 0.000 0.501 194 K N 1.318 121.583 120.400 -0.225 0.000 2.444 194 K HA 0.166 4.486 4.320 -0.001 0.000 0.193 194 K C 0.386 176.887 176.600 -0.165 0.000 1.024 194 K CA -0.031 56.164 56.287 -0.154 0.000 1.077 194 K CB -0.101 32.326 32.500 -0.122 0.000 0.833 194 K HN 0.292 nan 8.250 nan 0.000 0.517 195 N N 2.069 120.630 118.700 -0.232 0.000 2.437 195 N HA -0.016 4.723 4.740 -0.001 0.000 0.243 195 N C -0.122 175.281 175.510 -0.178 0.000 1.041 195 N CA 0.127 53.053 53.050 -0.207 0.000 0.940 195 N CB 0.970 39.310 38.487 -0.245 0.000 1.133 195 N HN -0.020 nan 8.380 nan 0.000 0.506 196 D N 2.159 122.470 120.400 -0.148 0.000 2.116 196 D HA -0.193 4.446 4.640 -0.001 0.000 0.193 196 D C 1.394 177.617 176.300 -0.128 0.000 0.998 196 D CA 1.486 55.411 54.000 -0.125 0.000 0.836 196 D CB 0.351 41.075 40.800 -0.126 0.000 0.951 196 D HN 0.608 nan 8.370 nan 0.000 0.449 197 Q N -0.228 119.448 119.800 -0.207 0.000 2.084 197 Q HA -0.028 4.311 4.340 -0.001 0.000 0.202 197 Q C 2.404 178.386 176.000 -0.030 0.000 0.978 197 Q CA 0.800 56.466 55.803 -0.228 0.000 0.844 197 Q CB -0.332 28.075 28.738 -0.552 0.000 0.898 197 Q HN 0.451 nan 8.270 nan 0.000 0.426 198 M N -0.244 119.358 119.600 0.002 0.000 2.132 198 M HA -0.094 4.385 4.480 -0.001 0.000 0.263 198 M C 2.251 178.738 176.300 0.313 0.000 1.065 198 M CA 1.424 56.846 55.300 0.202 0.000 1.122 198 M CB -0.423 32.152 32.600 -0.042 0.000 1.365 198 M HN 0.140 nan 8.290 nan 0.000 0.411 199 A N 0.389 123.283 122.820 0.123 0.000 1.978 199 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 199 A C 2.151 179.831 177.584 0.161 0.000 1.170 199 A CA 1.894 54.047 52.037 0.192 0.000 0.636 199 A CB -0.639 18.394 19.000 0.054 0.000 0.810 199 A HN 0.452 nan 8.150 nan 0.000 0.448 200 K N -0.883 119.577 120.400 0.101 0.000 2.057 200 K HA -0.104 4.215 4.320 -0.001 0.000 0.206 200 K C 1.883 178.545 176.600 0.104 0.000 1.050 200 K CA 1.412 57.741 56.287 0.070 0.000 0.935 200 K CB -0.237 32.276 32.500 0.021 0.000 0.715 200 K HN 0.372 nan 8.250 nan 0.000 0.439 201 L N 1.869 123.190 121.223 0.165 0.000 2.093 201 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 201 L C 1.886 178.859 176.870 0.171 0.000 1.085 201 L CA 1.707 56.637 54.840 0.151 0.000 0.755 201 L CB -0.837 41.319 42.059 0.161 0.000 0.904 201 L HN 0.292 nan 8.230 nan 0.000 0.435 202 N N -0.983 117.885 118.700 0.280 0.000 2.084 202 N HA -0.248 4.491 4.740 -0.001 0.000 0.190 202 N C 1.808 177.372 175.510 0.090 0.000 1.030 202 N CA 1.511 54.661 53.050 0.167 0.000 0.849 202 N CB -0.057 38.455 38.487 0.043 0.000 1.012 202 N HN 0.580 nan 8.380 nan 0.000 0.423 203 Q N 0.380 120.235 119.800 0.091 0.000 2.170 203 Q HA -0.176 4.164 4.340 -0.001 0.000 0.203 203 Q C 1.826 177.859 176.000 0.055 0.000 0.976 203 Q CA 1.105 56.946 55.803 0.062 0.000 0.858 203 Q CB -0.046 28.723 28.738 0.053 0.000 0.907 203 Q HN 0.543 nan 8.270 nan 0.000 0.433 204 E N 0.632 120.863 120.200 0.053 0.000 2.072 204 E HA -0.170 4.179 4.350 -0.001 0.000 0.191 204 E C 1.964 178.581 176.600 0.028 0.000 0.985 204 E CA 0.593 57.013 56.400 0.033 0.000 0.801 204 E CB 0.027 29.741 29.700 0.023 0.000 0.750 204 E HN 0.297 nan 8.360 nan 0.000 0.452 205 L N 0.892 122.136 121.223 0.036 0.000 2.141 205 L HA -0.133 4.206 4.340 -0.001 0.000 0.209 205 L C 2.568 179.480 176.870 0.069 0.000 1.094 205 L CA 0.749 55.606 54.840 0.029 0.000 0.763 205 L CB -0.290 41.785 42.059 0.027 0.000 0.908 205 L HN 0.126 nan 8.230 nan 0.000 0.437 206 E N 0.277 120.541 120.200 0.106 0.000 2.051 206 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 206 E C 2.188 178.899 176.600 0.185 0.000 0.991 206 E CA 1.459 57.978 56.400 0.198 0.000 0.799 206 E CB -0.405 29.368 29.700 0.121 0.000 0.748 206 E HN 0.513 nan 8.360 nan 0.000 0.449 207 G N 1.578 110.437 108.800 0.098 0.000 2.418 207 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 207 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 207 G C 1.630 176.554 174.900 0.041 0.000 1.158 207 G CA 0.749 45.891 45.100 0.070 0.000 0.771 207 G HN 0.213 nan 8.290 nan 0.000 0.545 208 K N -0.092 120.315 120.400 0.012 0.000 2.057 208 K HA 0.003 4.322 4.320 -0.001 0.000 0.207 208 K C 2.573 179.137 176.600 -0.060 0.000 1.049 208 K CA 1.021 57.287 56.287 -0.035 0.000 0.931 208 K CB -0.269 32.197 32.500 -0.057 0.000 0.714 208 K HN 0.203 nan 8.250 nan 0.000 0.440 209 V N 1.408 121.285 119.914 -0.063 0.000 2.358 209 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 209 V C 2.353 178.354 176.094 -0.154 0.000 1.047 209 V CA 1.970 64.166 62.300 -0.175 0.000 1.035 209 V CB -0.661 30.955 31.823 -0.345 0.000 0.658 209 V HN 0.352 nan 8.190 nan 0.000 0.452 210 A N 0.101 122.921 122.820 -0.001 0.000 1.883 210 A HA -0.283 4.036 4.320 -0.001 0.000 0.217 210 A C 2.018 179.640 177.584 0.063 0.000 1.186 210 A CA 2.183 54.283 52.037 0.105 0.000 0.624 210 A CB -0.693 18.420 19.000 0.189 0.000 0.822 210 A HN 0.554 nan 8.150 nan 0.000 0.444 211 D N -0.158 120.267 120.400 0.042 0.000 2.117 211 D HA -0.080 4.559 4.640 -0.001 0.000 0.197 211 D C 2.286 178.636 176.300 0.083 0.000 0.987 211 D CA 1.579 55.607 54.000 0.045 0.000 0.829 211 D CB -0.387 40.420 40.800 0.012 0.000 0.961 211 D HN 0.396 nan 8.370 nan 0.000 0.460 212 S N 0.469 116.198 115.700 0.047 0.000 2.368 212 S HA -0.049 4.420 4.470 -0.001 0.000 0.225 212 S C 2.225 177.067 174.600 0.404 0.000 1.030 212 S CA 0.475 58.783 58.200 0.180 0.000 0.999 212 S CB -0.148 63.029 63.200 -0.038 0.000 0.844 212 S HN 0.241 nan 8.310 nan 0.000 0.459 213 L N 1.630 122.951 121.223 0.163 0.000 2.141 213 L HA -0.068 4.271 4.340 -0.001 0.000 0.209 213 L C 2.595 179.524 176.870 0.097 0.000 1.094 213 L CA 1.332 56.234 54.840 0.103 0.000 0.763 213 L CB -0.602 41.457 42.059 -0.001 0.000 0.908 213 L HN 0.418 nan 8.230 nan 0.000 0.437 214 S N -1.642 114.122 115.700 0.108 0.000 2.496 214 S HA -0.061 4.408 4.470 -0.001 0.000 0.224 214 S C 1.819 176.473 174.600 0.091 0.000 0.996 214 S CA 0.609 58.858 58.200 0.082 0.000 0.927 214 S CB -0.081 63.163 63.200 0.073 0.000 0.774 214 S HN 0.461 nan 8.310 nan 0.000 0.524 215 S N 0.204 116.006 115.700 0.169 0.000 2.523 215 S HA 0.387 4.856 4.470 -0.001 0.000 0.217 215 S C 0.439 175.111 174.600 0.120 0.000 0.996 215 S CA -0.654 57.657 58.200 0.184 0.000 0.921 215 S CB -0.572 62.786 63.200 0.263 0.000 0.829 215 S HN 0.571 nan 8.310 nan 0.000 0.495 216 I N 2.813 123.389 120.570 0.009 0.000 2.754 216 I HA 0.155 4.324 4.170 -0.001 0.000 0.285 216 I C -0.354 175.553 176.117 -0.350 0.000 1.166 216 I CA -0.148 60.848 61.300 -0.507 0.000 1.417 216 I CB 1.099 38.766 38.000 -0.556 0.000 1.382 216 I HN 0.119 nan 8.210 nan 0.000 0.588 217 S N 4.868 120.301 115.700 -0.444 0.000 2.505 217 S HA 0.137 4.606 4.470 -0.001 0.000 0.276 217 S C 0.429 174.828 174.600 -0.335 0.000 1.274 217 S CA -0.494 57.506 58.200 -0.335 0.000 1.053 217 S CB 0.865 63.817 63.200 -0.413 0.000 0.919 217 S HN 0.687 nan 8.310 nan 0.000 0.490 218 S N 2.224 117.786 115.700 -0.230 0.000 2.754 218 S HA 0.114 4.583 4.470 -0.001 0.000 0.247 218 S C 0.015 174.523 174.600 -0.154 0.000 1.031 218 S CA -0.684 57.404 58.200 -0.185 0.000 1.014 218 S CB 0.132 63.255 63.200 -0.128 0.000 0.918 218 S HN 0.803 nan 8.310 nan 0.000 0.519 219 Q N 1.155 120.845 119.800 -0.182 0.000 2.230 219 Q HA 0.804 5.143 4.340 -0.001 0.000 0.253 219 Q C -0.327 175.589 176.000 -0.140 0.000 0.919 219 Q CA -0.904 54.813 55.803 -0.144 0.000 0.908 219 Q CB 0.968 29.614 28.738 -0.153 0.000 1.245 219 Q HN 0.169 nan 8.270 nan 0.000 0.437 220 A N 2.058 124.827 122.820 -0.085 0.000 2.462 220 A HA 0.206 4.525 4.320 -0.001 0.000 0.243 220 A C -0.208 177.350 177.584 -0.043 0.000 1.076 220 A CA 0.006 52.016 52.037 -0.046 0.000 0.773 220 A CB -0.216 18.771 19.000 -0.021 0.000 1.010 220 A HN 0.920 nan 8.150 nan 0.000 0.493 221 D N -0.582 119.821 120.400 0.004 0.000 2.723 221 D HA -0.150 4.489 4.640 -0.001 0.000 0.236 221 D C 0.284 176.563 176.300 -0.035 0.000 1.138 221 D CA 1.637 55.647 54.000 0.016 0.000 0.676 221 D CB -1.021 39.777 40.800 -0.003 0.000 1.069 221 D HN 0.865 nan 8.370 nan 0.000 0.430 222 R N 0.127 120.574 120.500 -0.089 0.000 2.641 222 R HA 0.430 4.769 4.340 -0.001 0.000 0.269 222 R C 1.690 177.931 176.300 -0.100 0.000 1.074 222 R CA -0.420 55.529 56.100 -0.251 0.000 1.133 222 R CB 0.554 30.568 30.300 -0.477 0.000 1.029 222 R HN 0.358 nan 8.270 nan 0.000 0.488 223 I N -2.080 118.355 120.570 -0.226 0.000 3.883 223 I HA 0.247 4.417 4.170 -0.001 0.000 0.326 223 I C -0.670 175.647 176.117 0.335 0.000 1.283 223 I CA -0.450 60.896 61.300 0.077 0.000 1.161 223 I CB -0.051 37.972 38.000 0.039 0.000 1.012 223 I HN 0.665 nan 8.210 nan 0.000 0.421 224 Y N -2.007 118.356 120.300 0.106 0.000 2.702 224 Y HA 0.542 5.091 4.550 -0.002 0.000 0.336 224 Y C -0.363 175.334 175.900 -0.339 0.000 1.203 224 Y CA -1.618 56.557 58.100 0.125 0.000 1.072 224 Y CB 0.327 38.854 38.460 0.110 0.000 1.327 224 Y HN -0.222 nan 8.280 nan 0.000 0.456 225 L N -0.289 120.943 121.223 0.015 0.000 2.145 225 L HA 0.173 4.512 4.340 -0.001 0.000 0.201 225 L C -0.109 176.492 176.870 -0.448 0.000 1.075 225 L CA 0.725 55.284 54.840 -0.468 0.000 0.773 225 L CB 0.288 42.018 42.059 -0.547 0.000 0.936 225 L HN 0.503 nan 8.230 nan 0.000 0.451 226 W N 0.653 122.088 121.300 0.225 0.000 2.554 226 W HA 0.206 4.865 4.660 -0.002 0.000 0.324 226 W C 0.905 177.256 176.519 -0.279 0.000 1.018 226 W CA -0.740 56.652 57.345 0.079 0.000 1.243 226 W CB 1.260 30.830 29.460 0.183 0.000 1.345 226 W HN 0.045 nan 8.180 nan 0.000 0.441 227 E N 2.431 122.407 120.200 -0.373 0.000 2.187 227 E HA -0.252 4.097 4.350 -0.001 0.000 0.199 227 E C 1.641 177.871 176.600 -0.617 0.000 1.004 227 E CA 1.460 57.287 56.400 -0.954 0.000 0.813 227 E CB 0.211 29.645 29.700 -0.444 0.000 0.736 227 E HN 0.432 nan 8.360 nan 0.000 0.468 228 K N -0.930 119.177 120.400 -0.488 0.000 2.418 228 K HA -0.058 4.261 4.320 -0.001 0.000 0.195 228 K C -0.050 176.013 176.600 -0.896 0.000 1.035 228 K CA 0.313 56.179 56.287 -0.702 0.000 1.003 228 K CB 0.145 32.158 32.500 -0.811 0.000 0.793 228 K HN -0.031 nan 8.250 nan 0.000 0.494 229 F N 0.370 120.241 119.950 -0.131 0.000 2.688 229 F HA 0.187 4.714 4.527 -0.001 0.000 0.376 229 F C 1.068 176.711 175.800 -0.262 0.000 1.428 229 F CA -0.679 57.260 58.000 -0.102 0.000 1.156 229 F CB 0.724 39.747 39.000 0.039 0.000 1.141 229 F HN -0.038 nan 8.300 nan 0.000 0.521 230 S N -1.279 114.207 115.700 -0.357 0.000 2.404 230 S HA -0.027 4.442 4.470 -0.001 0.000 0.223 230 S C 0.942 175.122 174.600 -0.701 0.000 1.040 230 S CA 0.203 58.068 58.200 -0.560 0.000 0.957 230 S CB -0.388 62.423 63.200 -0.647 0.000 0.826 230 S HN 0.309 nan 8.310 nan 0.000 0.491 231 N N 1.232 119.709 118.700 -0.371 0.000 2.400 231 N HA 0.075 4.814 4.740 -0.001 0.000 0.278 231 N C -0.467 174.935 175.510 -0.180 0.000 1.247 231 N CA -0.236 52.692 53.050 -0.204 0.000 0.970 231 N CB -0.326 38.116 38.487 -0.074 0.000 1.312 231 N HN 0.304 nan 8.380 nan 0.000 0.488 232 Y N 1.837 122.235 120.300 0.162 0.000 2.578 232 Y HA 0.073 4.622 4.550 -0.001 0.000 0.297 232 Y C 1.538 177.537 175.900 0.166 0.000 1.176 232 Y CA 0.396 58.596 58.100 0.167 0.000 1.315 232 Y CB 0.087 38.661 38.460 0.189 0.000 1.031 232 Y HN 0.503 nan 8.280 nan 0.000 0.524 233 K N -0.571 119.964 120.400 0.226 0.000 2.418 233 K HA 0.049 4.368 4.320 -0.001 0.000 0.195 233 K C 0.237 176.944 176.600 0.178 0.000 1.035 233 K CA 0.590 56.996 56.287 0.199 0.000 1.003 233 K CB 0.086 32.671 32.500 0.142 0.000 0.793 233 K HN 0.008 nan 8.250 nan 0.000 0.494 234 T N 1.579 116.225 114.554 0.153 0.000 2.891 234 T HA 0.030 4.380 4.350 -0.001 0.000 0.315 234 T C 1.120 175.915 174.700 0.159 0.000 1.054 234 T CA -0.300 61.876 62.100 0.128 0.000 0.958 234 T CB 1.257 70.172 68.868 0.080 0.000 1.008 234 T HN 0.197 nan 8.240 nan 0.000 0.521 235 S N 2.978 118.793 115.700 0.191 0.000 2.407 235 S HA -0.249 4.220 4.470 -0.001 0.000 0.235 235 S C 2.419 177.069 174.600 0.083 0.000 1.036 235 S CA 1.052 59.360 58.200 0.180 0.000 1.013 235 S CB -0.467 62.898 63.200 0.274 0.000 0.820 235 S HN 0.749 nan 8.310 nan 0.000 0.476 236 A N 2.462 125.331 122.820 0.082 0.000 2.024 236 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 236 A C 2.070 179.679 177.584 0.043 0.000 1.164 236 A CA 1.604 53.670 52.037 0.049 0.000 0.643 236 A CB -1.073 17.953 19.000 0.042 0.000 0.806 236 A HN 0.773 nan 8.150 nan 0.000 0.451 237 N N -0.726 118.040 118.700 0.110 0.000 2.309 237 N HA -0.070 4.669 4.740 -0.001 0.000 0.182 237 N C 1.315 176.921 175.510 0.160 0.000 1.018 237 N CA 0.841 53.993 53.050 0.169 0.000 0.876 237 N CB -0.153 38.444 38.487 0.184 0.000 0.972 237 N HN 0.312 nan 8.380 nan 0.000 0.434 238 L N 0.602 121.899 121.223 0.124 0.000 2.005 238 L HA -0.095 4.244 4.340 -0.001 0.000 0.207 238 L C 2.384 179.270 176.870 0.026 0.000 1.072 238 L CA 1.582 56.456 54.840 0.057 0.000 0.744 238 L CB -0.982 40.986 42.059 -0.152 0.000 0.895 238 L HN 0.092 nan 8.230 nan 0.000 0.433 239 T N -0.392 114.129 114.554 -0.055 0.000 2.746 239 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 239 T C 1.971 176.600 174.700 -0.118 0.000 1.039 239 T CA 1.303 63.365 62.100 -0.062 0.000 1.142 239 T CB -0.434 68.413 68.868 -0.035 0.000 0.866 239 T HN 0.396 nan 8.240 nan 0.000 0.444 240 A N 1.248 123.915 122.820 -0.255 0.000 1.933 240 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 240 A C 2.553 179.791 177.584 -0.577 0.000 1.175 240 A CA 1.991 53.685 52.037 -0.573 0.000 0.628 240 A CB -1.181 17.139 19.000 -1.133 0.000 0.814 240 A HN 0.465 nan 8.150 nan 0.000 0.444 241 T N -1.315 113.040 114.554 -0.331 0.000 2.701 241 T HA -0.130 4.219 4.350 -0.001 0.000 0.263 241 T C 1.730 176.348 174.700 -0.137 0.000 1.040 241 T CA 1.743 63.761 62.100 -0.136 0.000 1.147 241 T CB -0.450 68.471 68.868 0.088 0.000 0.865 241 T HN 0.526 nan 8.240 nan 0.000 0.426 242 Y N 1.472 121.727 120.300 -0.075 0.000 2.274 242 Y HA -0.010 4.539 4.550 -0.001 0.000 0.290 242 Y C 2.591 178.427 175.900 -0.108 0.000 1.145 242 Y CA 0.766 58.823 58.100 -0.072 0.000 1.203 242 Y CB -0.248 38.138 38.460 -0.123 0.000 0.984 242 Y HN 0.076 nan 8.280 nan 0.000 0.533 243 R N -0.085 120.398 120.500 -0.029 0.000 2.148 243 R HA -0.109 4.230 4.340 -0.001 0.000 0.223 243 R C 2.024 178.237 176.300 -0.145 0.000 1.088 243 R CA 0.987 57.033 56.100 -0.090 0.000 0.985 243 R CB -0.121 30.096 30.300 -0.139 0.000 0.880 243 R HN 0.304 nan 8.270 nan 0.000 0.451 244 K N 0.510 120.761 120.400 -0.249 0.000 2.148 244 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 244 K C 1.953 178.467 176.600 -0.144 0.000 1.050 244 K CA 0.922 57.008 56.287 -0.334 0.000 0.942 244 K CB 0.050 32.077 32.500 -0.788 0.000 0.724 244 K HN 0.162 nan 8.250 nan 0.000 0.446 245 L N 0.483 121.689 121.223 -0.028 0.000 2.109 245 L HA -0.113 4.226 4.340 -0.001 0.000 0.207 245 L C 2.498 179.394 176.870 0.044 0.000 1.086 245 L CA 1.003 55.881 54.840 0.064 0.000 0.760 245 L CB -0.344 41.791 42.059 0.128 0.000 0.910 245 L HN 0.268 nan 8.230 nan 0.000 0.437 246 E N 0.812 121.028 120.200 0.026 0.000 2.110 246 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 246 E C 1.874 178.472 176.600 -0.003 0.000 0.988 246 E CA 1.196 57.610 56.400 0.022 0.000 0.804 246 E CB 0.148 29.851 29.700 0.005 0.000 0.745 246 E HN 0.528 nan 8.360 nan 0.000 0.458 247 E N 0.064 120.241 120.200 -0.039 0.000 2.110 247 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 247 E C 2.188 178.768 176.600 -0.034 0.000 0.988 247 E CA 1.236 57.605 56.400 -0.051 0.000 0.804 247 E CB -0.105 29.542 29.700 -0.088 0.000 0.745 247 E HN 0.381 nan 8.360 nan 0.000 0.458 248 M N 0.580 120.158 119.600 -0.038 0.000 2.117 248 M HA -0.131 4.348 4.480 -0.001 0.000 0.262 248 M C 2.551 178.856 176.300 0.008 0.000 1.065 248 M CA 1.393 56.665 55.300 -0.045 0.000 1.114 248 M CB -0.267 32.310 32.600 -0.038 0.000 1.361 248 M HN 0.131 nan 8.290 nan 0.000 0.408 249 A N 0.600 123.446 122.820 0.043 0.000 1.933 249 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 249 A C 2.104 179.744 177.584 0.094 0.000 1.175 249 A CA 1.687 53.776 52.037 0.087 0.000 0.628 249 A CB -0.518 18.553 19.000 0.118 0.000 0.814 249 A HN 0.434 nan 8.150 nan 0.000 0.444 250 K N -0.855 119.583 120.400 0.062 0.000 2.057 250 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 250 K C 2.230 178.887 176.600 0.095 0.000 1.049 250 K CA 1.397 57.722 56.287 0.064 0.000 0.931 250 K CB -0.123 32.386 32.500 0.016 0.000 0.714 250 K HN 0.394 nan 8.250 nan 0.000 0.440 251 Q N 0.200 120.055 119.800 0.092 0.000 2.137 251 Q HA -0.074 4.265 4.340 -0.001 0.000 0.198 251 Q C 2.302 178.422 176.000 0.200 0.000 0.960 251 Q CA 1.209 57.096 55.803 0.141 0.000 0.847 251 Q CB -0.316 28.527 28.738 0.176 0.000 0.915 251 Q HN 0.336 nan 8.270 nan 0.000 0.448 252 V N -0.684 119.324 119.914 0.157 0.000 2.759 252 V HA -0.080 4.039 4.120 -0.001 0.000 0.256 252 V C 1.715 177.956 176.094 0.245 0.000 1.080 252 V CA 1.881 64.268 62.300 0.145 0.000 1.101 252 V CB -1.267 30.556 31.823 -0.000 0.000 0.698 252 V HN 0.355 nan 8.190 nan 0.000 0.477 253 T N -2.467 112.254 114.554 0.277 0.000 3.134 253 T HA 0.207 4.556 4.350 -0.001 0.000 0.260 253 T C 0.516 175.407 174.700 0.318 0.000 1.027 253 T CA 0.165 62.472 62.100 0.346 0.000 0.913 253 T CB -0.959 68.059 68.868 0.249 0.000 1.046 253 T HN 0.629 nan 8.240 nan 0.000 0.553 254 N N 1.777 120.629 118.700 0.255 0.000 2.485 254 N HA 0.279 5.018 4.740 -0.001 0.000 0.243 254 N C -2.180 173.179 175.510 -0.252 0.000 0.987 254 N CA -2.333 50.720 53.050 0.005 0.000 0.940 254 N CB 1.696 40.160 38.487 -0.038 0.000 1.122 254 N HN -0.142 nan 8.380 nan 0.000 0.509 255 P HA -0.122 nan 4.420 nan 0.000 0.218 255 P C 0.403 177.371 177.300 -0.554 0.000 1.146 255 P CA 1.199 63.565 63.100 -1.223 0.000 0.820 255 P CB 0.320 31.581 31.700 -0.732 0.000 0.778 256 S N -1.985 113.528 115.700 -0.312 0.000 2.548 256 S HA 0.062 4.531 4.470 -0.001 0.000 0.215 256 S C 0.978 175.488 174.600 -0.151 0.000 0.976 256 S CA -0.099 58.000 58.200 -0.168 0.000 0.908 256 S CB -0.349 62.828 63.200 -0.038 0.000 0.781 256 S HN 0.136 nan 8.310 nan 0.000 0.519 257 S N 1.791 117.407 115.700 -0.139 0.000 2.580 257 S HA 0.145 4.614 4.470 -0.001 0.000 0.274 257 S C 1.361 175.929 174.600 -0.053 0.000 1.329 257 S CA -0.736 57.427 58.200 -0.061 0.000 1.036 257 S CB 0.649 63.881 63.200 0.053 0.000 0.919 257 S HN 0.538 nan 8.310 nan 0.000 0.515 258 R N 2.207 122.587 120.500 -0.201 0.000 2.280 258 R HA -0.019 4.320 4.340 -0.001 0.000 0.207 258 R C 0.211 176.302 176.300 -0.349 0.000 1.043 258 R CA 1.390 57.301 56.100 -0.315 0.000 1.006 258 R CB -0.432 29.572 30.300 -0.493 0.000 0.885 258 R HN 0.707 nan 8.270 nan 0.000 0.467 259 Y N -0.656 119.680 120.300 0.060 0.000 2.485 259 Y HA 0.154 4.703 4.550 -0.002 0.000 0.260 259 Y C -0.065 175.886 175.900 0.086 0.000 1.173 259 Y CA -1.566 56.564 58.100 0.050 0.000 1.252 259 Y CB -0.372 38.106 38.460 0.031 0.000 1.123 259 Y HN -0.005 nan 8.280 nan 0.000 0.524 260 Y N 2.899 123.241 120.300 0.070 0.000 2.729 260 Y HA -0.054 4.495 4.550 -0.002 0.000 0.331 260 Y C 0.981 176.918 175.900 0.060 0.000 1.208 260 Y CA -0.024 58.112 58.100 0.060 0.000 1.521 260 Y CB -0.186 38.290 38.460 0.028 0.000 1.233 260 Y HN 0.411 nan 8.280 nan 0.000 0.539 261 Q N 2.015 121.604 119.800 -0.351 0.000 2.461 261 Q HA -0.348 3.991 4.340 -0.001 0.000 0.264 261 Q C -0.460 175.444 176.000 -0.160 0.000 1.085 261 Q CA 1.171 56.776 55.803 -0.330 0.000 1.006 261 Q CB -1.037 27.389 28.738 -0.520 0.000 1.437 261 Q HN 0.762 nan 8.270 nan 0.000 0.514 262 D N 0.982 121.340 120.400 -0.071 0.000 2.417 262 D HA -0.049 4.590 4.640 -0.001 0.000 0.250 262 D C 1.123 177.379 176.300 -0.072 0.000 1.166 262 D CA 0.405 54.396 54.000 -0.015 0.000 0.881 262 D CB 0.834 41.697 40.800 0.105 0.000 1.164 262 D HN 0.326 nan 8.370 nan 0.000 0.467 263 E N 2.581 122.746 120.200 -0.058 0.000 2.085 263 E HA -0.254 4.096 4.350 -0.001 0.000 0.194 263 E C 1.320 177.878 176.600 -0.070 0.000 0.994 263 E CA 1.970 58.327 56.400 -0.071 0.000 0.801 263 E CB -0.007 29.666 29.700 -0.045 0.000 0.743 263 E HN 0.660 nan 8.360 nan 0.000 0.453 264 T N -1.341 113.191 114.554 -0.036 0.000 2.812 264 T HA -0.059 4.290 4.350 -0.001 0.000 0.264 264 T C 2.149 176.817 174.700 -0.052 0.000 1.042 264 T CA 1.367 63.447 62.100 -0.032 0.000 1.140 264 T CB -0.559 68.308 68.868 -0.001 0.000 0.870 264 T HN 0.050 nan 8.240 nan 0.000 0.445 265 V N 1.479 121.362 119.914 -0.052 0.000 2.358 265 V HA -0.095 4.024 4.120 -0.001 0.000 0.246 265 V C 2.955 178.975 176.094 -0.123 0.000 1.047 265 V CA 1.156 63.406 62.300 -0.083 0.000 1.035 265 V CB -0.804 30.970 31.823 -0.081 0.000 0.658 265 V HN 0.370 nan 8.190 nan 0.000 0.452 266 V N 0.214 120.011 119.914 -0.195 0.000 2.287 266 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 266 V C 2.583 178.548 176.094 -0.215 0.000 1.053 266 V CA 2.554 64.665 62.300 -0.315 0.000 1.027 266 V CB -0.759 30.772 31.823 -0.486 0.000 0.646 266 V HN 0.491 nan 8.190 nan 0.000 0.447 267 R N -0.477 119.934 120.500 -0.148 0.000 2.115 267 R HA -0.129 4.210 4.340 -0.001 0.000 0.226 267 R C 2.307 178.571 176.300 -0.061 0.000 1.100 267 R CA 1.740 57.783 56.100 -0.097 0.000 0.980 267 R CB -0.317 29.941 30.300 -0.070 0.000 0.875 267 R HN 0.528 nan 8.270 nan 0.000 0.445 268 T N 0.087 114.606 114.554 -0.060 0.000 2.777 268 T HA -0.080 4.269 4.350 -0.001 0.000 0.266 268 T C 1.731 176.429 174.700 -0.003 0.000 1.040 268 T CA 1.376 63.452 62.100 -0.041 0.000 1.141 268 T CB -0.025 68.820 68.868 -0.039 0.000 0.868 268 T HN 0.026 nan 8.240 nan 0.000 0.444 269 V N 1.362 121.280 119.914 0.007 0.000 2.307 269 V HA -0.140 3.979 4.120 -0.001 0.000 0.245 269 V C 2.599 178.774 176.094 0.134 0.000 1.045 269 V CA 1.566 63.914 62.300 0.080 0.000 1.024 269 V CB -0.526 31.356 31.823 0.099 0.000 0.651 269 V HN 0.361 nan 8.190 nan 0.000 0.449 270 R N 0.093 120.641 120.500 0.080 0.000 2.073 270 R HA -0.166 4.173 4.340 -0.001 0.000 0.234 270 R C 2.102 178.476 176.300 0.124 0.000 1.134 270 R CA 1.880 58.057 56.100 0.127 0.000 0.952 270 R CB -0.483 29.778 30.300 -0.065 0.000 0.850 270 R HN 0.494 nan 8.270 nan 0.000 0.433 271 D N -0.076 120.366 120.400 0.070 0.000 2.178 271 D HA -0.073 4.566 4.640 -0.001 0.000 0.202 271 D C 1.891 178.261 176.300 0.117 0.000 0.974 271 D CA 1.155 55.207 54.000 0.088 0.000 0.841 271 D CB -0.132 40.688 40.800 0.034 0.000 0.953 271 D HN 0.048 nan 8.370 nan 0.000 0.478 272 S N 0.073 115.815 115.700 0.070 0.000 2.368 272 S HA -0.066 4.403 4.470 -0.001 0.000 0.224 272 S C 1.947 176.617 174.600 0.117 0.000 1.029 272 S CA 0.648 58.892 58.200 0.073 0.000 0.988 272 S CB 0.007 63.223 63.200 0.026 0.000 0.838 272 S HN 0.205 nan 8.310 nan 0.000 0.462 273 M N 1.077 120.705 119.600 0.047 0.000 2.117 273 M HA -0.053 4.426 4.480 -0.001 0.000 0.262 273 M C 2.235 178.521 176.300 -0.023 0.000 1.065 273 M CA 1.412 56.655 55.300 -0.096 0.000 1.114 273 M CB -1.280 31.042 32.600 -0.464 0.000 1.361 273 M HN 0.216 nan 8.290 nan 0.000 0.408 274 E N -0.704 119.558 120.200 0.104 0.000 2.106 274 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 274 E C 1.813 178.586 176.600 0.288 0.000 0.984 274 E CA 1.332 57.909 56.400 0.295 0.000 0.806 274 E CB -0.342 29.526 29.700 0.280 0.000 0.750 274 E HN 0.479 nan 8.360 nan 0.000 0.458 275 W N 0.100 121.462 121.300 0.104 0.000 2.354 275 W HA -0.167 4.492 4.660 -0.002 0.000 0.315 275 W C 1.874 178.452 176.519 0.099 0.000 1.206 275 W CA 1.764 59.173 57.345 0.107 0.000 1.290 275 W CB -0.207 29.292 29.460 0.066 0.000 1.152 275 W HN 0.058 nan 8.180 nan 0.000 0.489 276 M N -0.420 119.347 119.600 0.279 0.000 2.149 276 M HA -0.246 4.233 4.480 -0.001 0.000 0.261 276 M C 2.234 178.579 176.300 0.074 0.000 1.064 276 M CA 1.918 57.269 55.300 0.085 0.000 1.102 276 M CB -2.123 30.510 32.600 0.055 0.000 1.369 276 M HN 0.273 nan 8.290 nan 0.000 0.408 277 H N 0.725 119.855 119.070 0.100 0.000 2.423 277 H HA -0.076 4.479 4.556 -0.002 0.000 0.297 277 H C 1.630 176.922 175.328 -0.060 0.000 1.075 277 H CA 1.445 57.568 56.048 0.125 0.000 1.342 277 H CB 0.209 30.158 29.762 0.310 0.000 1.395 277 H HN 0.355 nan 8.280 nan 0.000 0.530 278 K N -0.853 119.445 120.400 -0.169 0.000 2.211 278 K HA -0.015 4.305 4.320 -0.001 0.000 0.201 278 K C 1.288 177.459 176.600 -0.714 0.000 1.052 278 K CA 0.545 56.550 56.287 -0.471 0.000 0.973 278 K CB 0.354 32.497 32.500 -0.594 0.000 0.766 278 K HN 0.454 nan 8.250 nan 0.000 0.466 279 H N -1.345 117.436 119.070 -0.482 0.000 3.046 279 H HA 0.170 4.725 4.556 -0.001 0.000 0.262 279 H C 1.361 176.455 175.328 -0.389 0.000 1.044 279 H CA 0.361 56.096 56.048 -0.520 0.000 1.209 279 H CB 1.119 30.331 29.762 -0.916 0.000 1.507 279 H HN -0.083 nan 8.280 nan 0.000 0.507 280 V N -1.074 118.700 119.914 -0.233 0.000 3.141 280 V HA 0.057 4.176 4.120 -0.001 0.000 0.225 280 V C -0.628 175.531 176.094 0.110 0.000 1.352 280 V CA 0.092 62.319 62.300 -0.122 0.000 1.316 280 V CB 0.964 32.555 31.823 -0.386 0.000 1.126 280 V HN 0.106 nan 8.190 nan 0.000 0.493 281 Y N 4.364 124.652 120.300 -0.020 0.000 2.363 281 Y HA 0.635 5.184 4.550 -0.002 0.000 0.325 281 Y C -0.375 175.570 175.900 0.076 0.000 0.984 281 Y CA -1.323 56.827 58.100 0.084 0.000 1.248 281 Y CB 0.723 39.266 38.460 0.137 0.000 1.116 281 Y HN 0.517 nan 8.280 nan 0.000 0.470 282 N N 1.122 119.715 118.700 -0.178 0.000 2.934 282 N HA 0.169 4.908 4.740 -0.001 0.000 0.253 282 N C -0.386 174.984 175.510 -0.232 0.000 1.466 282 N CA -0.777 52.104 53.050 -0.282 0.000 0.858 282 N CB 1.401 39.654 38.487 -0.390 0.000 1.459 282 N HN 0.216 nan 8.380 nan 0.000 0.532 283 S N -0.218 115.324 115.700 -0.262 0.000 2.440 283 S HA -0.107 4.362 4.470 -0.001 0.000 0.238 283 S C 0.821 175.267 174.600 -0.257 0.000 1.010 283 S CA 1.044 59.060 58.200 -0.307 0.000 0.972 283 S CB -0.295 62.766 63.200 -0.232 0.000 0.774 283 S HN 0.503 nan 8.310 nan 0.000 0.501 284 E N 0.821 120.919 120.200 -0.170 0.000 2.489 284 E HA 0.140 4.489 4.350 -0.001 0.000 0.193 284 E C 0.354 176.926 176.600 -0.046 0.000 1.057 284 E CA 0.369 56.702 56.400 -0.111 0.000 0.866 284 E CB 0.112 29.755 29.700 -0.094 0.000 0.916 284 E HN 0.356 nan 8.360 nan 0.000 0.500 285 K N 0.834 121.241 120.400 0.011 0.000 2.109 285 K HA 0.445 4.765 4.320 -0.001 0.000 0.243 285 K C 0.195 176.957 176.600 0.270 0.000 1.006 285 K CA -0.397 55.997 56.287 0.178 0.000 0.917 285 K CB 1.351 34.049 32.500 0.331 0.000 1.081 285 K HN -0.191 nan 8.250 nan 0.000 0.468 286 S N 0.373 116.241 115.700 0.280 0.000 2.542 286 S HA 0.459 4.928 4.470 -0.001 0.000 0.293 286 S C 0.129 174.747 174.600 0.029 0.000 1.089 286 S CA -0.806 57.535 58.200 0.234 0.000 0.961 286 S CB 1.130 64.390 63.200 0.101 0.000 1.062 286 S HN 0.387 nan 8.310 nan 0.000 0.483 287 I N 2.367 122.836 120.570 -0.167 0.000 2.828 287 I HA 0.012 4.181 4.170 -0.001 0.000 0.292 287 I C -0.710 175.144 176.117 -0.439 0.000 1.206 287 I CA 0.365 61.176 61.300 -0.815 0.000 1.420 287 I CB 0.017 37.766 38.000 -0.417 0.000 1.368 287 I HN 0.179 nan 8.210 nan 0.000 0.556 288 V N 6.921 126.558 119.914 -0.461 0.000 2.357 288 V HA 0.710 4.830 4.120 -0.001 0.000 0.281 288 V C 0.553 176.715 176.094 0.114 0.000 1.015 288 V CA 0.323 62.612 62.300 -0.018 0.000 0.827 288 V CB 0.530 32.435 31.823 0.137 0.000 1.018 288 V HN 1.189 nan 8.190 nan 0.000 0.432 289 G N 5.104 113.957 108.800 0.089 0.000 2.893 289 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.222 289 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.222 289 G C -0.266 174.717 174.900 0.138 0.000 1.345 289 G CA -0.030 45.149 45.100 0.131 0.000 1.129 289 G HN 0.689 nan 8.290 nan 0.000 0.560 290 N N 1.936 120.733 118.700 0.162 0.000 2.422 290 N HA 0.250 4.990 4.740 -0.001 0.000 0.266 290 N C 1.581 177.175 175.510 0.141 0.000 1.007 290 N CA -0.111 53.013 53.050 0.123 0.000 0.941 290 N CB 0.472 38.982 38.487 0.038 0.000 1.115 290 N HN 0.728 nan 8.380 nan 0.000 0.492 291 W N 3.519 124.918 121.300 0.165 0.000 2.374 291 W HA -0.123 4.536 4.660 -0.002 0.000 0.288 291 W C 1.227 177.864 176.519 0.196 0.000 1.218 291 W CA -0.073 57.360 57.345 0.146 0.000 1.245 291 W CB -1.096 28.448 29.460 0.140 0.000 1.126 291 W HN 0.643 nan 8.180 nan 0.000 0.545 292 W N 3.113 123.576 121.300 -1.394 0.000 2.342 292 W HA -0.212 4.447 4.660 -0.001 0.000 0.297 292 W C 2.047 178.241 176.519 -0.541 0.000 1.213 292 W CA 2.663 59.202 57.345 -1.344 0.000 1.251 292 W CB -0.391 28.357 29.460 -1.186 0.000 1.136 292 W HN -0.177 nan 8.180 nan 0.000 0.526 293 D N -1.315 119.053 120.400 -0.052 0.000 2.144 293 D HA -0.202 4.437 4.640 -0.001 0.000 0.200 293 D C 1.730 177.835 176.300 -0.325 0.000 0.978 293 D CA 1.468 55.391 54.000 -0.128 0.000 0.833 293 D CB -0.634 40.158 40.800 -0.013 0.000 0.961 293 D HN 0.262 nan 8.370 nan 0.000 0.470 294 Y N 1.234 121.372 120.300 -0.269 0.000 2.395 294 Y HA -0.010 4.539 4.550 -0.002 0.000 0.293 294 Y C 2.095 177.886 175.900 -0.181 0.000 1.123 294 Y CA 0.822 58.745 58.100 -0.295 0.000 1.227 294 Y CB 0.206 38.381 38.460 -0.475 0.000 1.012 294 Y HN 0.003 nan 8.280 nan 0.000 0.552 295 E N -1.520 118.679 120.200 -0.002 0.000 2.413 295 E HA 0.165 4.514 4.350 -0.001 0.000 0.203 295 E C 1.238 177.775 176.600 -0.106 0.000 0.957 295 E CA 0.362 56.830 56.400 0.112 0.000 0.950 295 E CB 0.531 30.487 29.700 0.427 0.000 0.957 295 E HN 0.393 nan 8.360 nan 0.000 0.497 296 I N -0.567 119.659 120.570 -0.574 0.000 3.623 296 I HA 0.124 4.294 4.170 -0.001 0.000 0.253 296 I C 2.285 177.864 176.117 -0.896 0.000 1.144 296 I CA 0.434 61.251 61.300 -0.805 0.000 1.461 296 I CB -0.340 36.818 38.000 -1.404 0.000 1.575 296 I HN 0.057 nan 8.210 nan 0.000 0.445 297 G N 0.957 108.881 108.800 -1.460 0.000 2.514 297 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 297 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 297 G C 1.577 176.213 174.900 -0.441 0.000 1.198 297 G CA 1.992 46.560 45.100 -0.888 0.000 0.780 297 G HN 0.260 nan 8.290 nan 0.000 0.565 298 T N 1.966 116.242 114.554 -0.465 0.000 2.737 298 T HA -0.038 4.311 4.350 -0.001 0.000 0.265 298 T C 0.263 174.691 174.700 -0.454 0.000 1.038 298 T CA 1.580 63.374 62.100 -0.510 0.000 1.144 298 T CB -0.848 67.518 68.868 -0.836 0.000 0.866 298 T HN 0.223 nan 8.240 nan 0.000 0.434 299 P HA -0.024 nan 4.420 nan 0.000 0.216 299 P C 1.474 178.693 177.300 -0.134 0.000 1.150 299 P CA 1.124 64.132 63.100 -0.153 0.000 0.837 299 P CB 0.008 31.678 31.700 -0.050 0.000 0.786 300 R N -0.701 119.709 120.500 -0.151 0.000 2.075 300 R HA -0.010 4.329 4.340 -0.001 0.000 0.232 300 R C 2.281 178.560 176.300 -0.034 0.000 1.126 300 R CA 1.454 57.519 56.100 -0.059 0.000 0.963 300 R CB -0.933 29.331 30.300 -0.060 0.000 0.858 300 R HN 0.131 nan 8.270 nan 0.000 0.435 301 A N 0.956 123.716 122.820 -0.100 0.000 1.930 301 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 301 A C 2.094 179.644 177.584 -0.056 0.000 1.175 301 A CA 1.130 53.133 52.037 -0.058 0.000 0.627 301 A CB -0.395 18.575 19.000 -0.050 0.000 0.815 301 A HN 0.179 nan 8.150 nan 0.000 0.443 302 I N -0.154 120.314 120.570 -0.169 0.000 2.233 302 I HA -0.222 3.947 4.170 -0.001 0.000 0.243 302 I C 2.139 178.222 176.117 -0.056 0.000 1.093 302 I CA 0.984 62.191 61.300 -0.156 0.000 1.380 302 I CB -0.465 37.380 38.000 -0.257 0.000 1.067 302 I HN 0.291 nan 8.210 nan 0.000 0.413 303 N N 1.310 119.994 118.700 -0.026 0.000 2.069 303 N HA -0.180 4.559 4.740 -0.001 0.000 0.191 303 N C 1.575 177.153 175.510 0.114 0.000 1.031 303 N CA 1.462 54.528 53.050 0.027 0.000 0.852 303 N CB -0.629 37.873 38.487 0.025 0.000 1.018 303 N HN 0.333 nan 8.380 nan 0.000 0.423 304 N N 0.125 118.920 118.700 0.158 0.000 2.142 304 N HA -0.059 4.680 4.740 -0.001 0.000 0.186 304 N C 1.684 177.273 175.510 0.130 0.000 1.023 304 N CA 1.085 54.256 53.050 0.203 0.000 0.852 304 N CB -0.808 37.765 38.487 0.143 0.000 0.998 304 N HN 0.242 nan 8.380 nan 0.000 0.424 305 T N 1.619 116.222 114.554 0.083 0.000 2.708 305 T HA -0.012 4.337 4.350 -0.001 0.000 0.266 305 T C 2.051 176.809 174.700 0.098 0.000 1.037 305 T CA 0.785 62.937 62.100 0.087 0.000 1.146 305 T CB -0.321 68.588 68.868 0.069 0.000 0.865 305 T HN 0.133 nan 8.240 nan 0.000 0.435 306 L N 0.731 121.961 121.223 0.012 0.000 2.093 306 L HA -0.079 4.261 4.340 -0.001 0.000 0.208 306 L C 2.885 179.822 176.870 0.111 0.000 1.085 306 L CA 0.980 55.801 54.840 -0.032 0.000 0.755 306 L CB -0.624 41.358 42.059 -0.128 0.000 0.904 306 L HN 0.277 nan 8.230 nan 0.000 0.435 307 S N 0.249 116.033 115.700 0.140 0.000 2.356 307 S HA -0.131 4.338 4.470 -0.001 0.000 0.223 307 S C 2.019 176.738 174.600 0.200 0.000 1.032 307 S CA 1.154 59.470 58.200 0.193 0.000 1.005 307 S CB -0.175 63.210 63.200 0.308 0.000 0.867 307 S HN 0.281 nan 8.310 nan 0.000 0.449 308 L N 0.293 121.630 121.223 0.191 0.000 2.046 308 L HA 0.039 4.378 4.340 -0.001 0.000 0.208 308 L C 1.917 178.925 176.870 0.230 0.000 1.077 308 L CA 1.150 56.098 54.840 0.180 0.000 0.747 308 L CB -0.275 41.873 42.059 0.147 0.000 0.896 308 L HN 0.350 nan 8.230 nan 0.000 0.432 309 M N -0.001 119.778 119.600 0.298 0.000 2.738 309 M HA 0.054 4.533 4.480 -0.001 0.000 0.295 309 M C 1.344 177.921 176.300 0.461 0.000 1.266 309 M CA -0.011 55.555 55.300 0.443 0.000 0.985 309 M CB 0.296 33.213 32.600 0.528 0.000 1.365 309 M HN 0.131 nan 8.290 nan 0.000 0.492 310 K N -0.155 120.419 120.400 0.290 0.000 2.360 310 K HA -0.101 4.218 4.320 -0.001 0.000 0.201 310 K C 0.672 177.362 176.600 0.149 0.000 1.046 310 K CA 1.147 57.578 56.287 0.239 0.000 0.945 310 K CB -0.073 32.522 32.500 0.158 0.000 0.750 310 K HN 0.455 nan 8.250 nan 0.000 0.464 311 E N -0.210 120.002 120.200 0.020 0.000 2.489 311 E HA -0.033 4.316 4.350 -0.001 0.000 0.193 311 E C 0.232 176.612 176.600 -0.367 0.000 1.057 311 E CA 0.289 56.572 56.400 -0.194 0.000 0.866 311 E CB 0.126 29.630 29.700 -0.327 0.000 0.916 311 E HN 0.450 nan 8.360 nan 0.000 0.500 312 Y N -1.400 118.920 120.300 0.032 0.000 2.426 312 Y HA 0.229 4.779 4.550 -0.001 0.000 0.249 312 Y C 0.237 175.987 175.900 -0.251 0.000 1.103 312 Y CA -0.275 57.746 58.100 -0.132 0.000 1.256 312 Y CB 0.667 38.989 38.460 -0.230 0.000 1.208 312 Y HN -0.122 nan 8.280 nan 0.000 0.519 313 F N 0.122 120.175 119.950 0.172 0.000 2.492 313 F HA 0.459 4.985 4.527 -0.001 0.000 0.327 313 F C 0.609 176.461 175.800 0.086 0.000 1.079 313 F CA -1.493 56.593 58.000 0.143 0.000 0.967 313 F CB 1.333 40.432 39.000 0.166 0.000 1.169 313 F HN -0.279 nan 8.300 nan 0.000 0.472 314 S N 0.528 116.391 115.700 0.273 0.000 2.632 314 S HA 0.203 4.672 4.470 -0.001 0.000 0.271 314 S C 0.584 175.258 174.600 0.124 0.000 1.260 314 S CA -0.792 57.494 58.200 0.144 0.000 1.010 314 S CB 1.139 64.393 63.200 0.090 0.000 0.965 314 S HN 0.613 nan 8.310 nan 0.000 0.534 315 D N 0.956 121.395 120.400 0.066 0.000 2.149 315 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 315 D C 1.661 177.960 176.300 -0.002 0.000 0.990 315 D CA 1.663 55.680 54.000 0.029 0.000 0.839 315 D CB -0.196 40.608 40.800 0.006 0.000 0.948 315 D HN 0.905 nan 8.370 nan 0.000 0.460 316 E N 0.859 121.055 120.200 -0.007 0.000 2.106 316 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 316 E C 1.710 178.254 176.600 -0.094 0.000 0.984 316 E CA 0.884 57.255 56.400 -0.048 0.000 0.806 316 E CB 0.156 29.830 29.700 -0.043 0.000 0.750 316 E HN 0.303 nan 8.360 nan 0.000 0.458 317 E N 0.354 120.528 120.200 -0.043 0.000 2.072 317 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 317 E C 2.236 178.753 176.600 -0.138 0.000 0.985 317 E CA 0.999 57.327 56.400 -0.119 0.000 0.801 317 E CB -0.036 29.799 29.700 0.224 0.000 0.750 317 E HN 0.395 nan 8.360 nan 0.000 0.452 318 I N 1.295 121.866 120.570 0.002 0.000 2.179 318 I HA -0.281 3.888 4.170 -0.001 0.000 0.242 318 I C 2.626 178.713 176.117 -0.050 0.000 1.088 318 I CA 1.178 62.471 61.300 -0.012 0.000 1.357 318 I CB -0.210 37.792 38.000 0.004 0.000 1.051 318 I HN 0.031 nan 8.210 nan 0.000 0.409 319 K N 1.381 121.735 120.400 -0.077 0.000 2.148 319 K HA -0.214 4.105 4.320 -0.001 0.000 0.204 319 K C 2.249 178.783 176.600 -0.110 0.000 1.050 319 K CA 1.183 57.420 56.287 -0.084 0.000 0.942 319 K CB 0.018 32.467 32.500 -0.084 0.000 0.724 319 K HN 0.127 nan 8.250 nan 0.000 0.446 320 K N -0.120 120.157 120.400 -0.205 0.000 2.057 320 K HA -0.161 4.158 4.320 -0.001 0.000 0.206 320 K C 1.402 177.858 176.600 -0.241 0.000 1.050 320 K CA 1.361 57.468 56.287 -0.300 0.000 0.935 320 K CB -0.087 32.075 32.500 -0.563 0.000 0.715 320 K HN 0.173 nan 8.250 nan 0.000 0.439 321 Y N 0.712 120.973 120.300 -0.065 0.000 2.546 321 Y HA -0.023 4.526 4.550 -0.002 0.000 0.287 321 Y C 2.041 177.938 175.900 -0.004 0.000 1.158 321 Y CA 1.176 59.266 58.100 -0.017 0.000 1.307 321 Y CB -0.004 38.401 38.460 -0.091 0.000 1.036 321 Y HN 0.243 nan 8.280 nan 0.000 0.532 322 T N -5.184 109.418 114.554 0.080 0.000 3.054 322 T HA 0.072 4.421 4.350 -0.001 0.000 0.255 322 T C 1.125 175.829 174.700 0.007 0.000 1.035 322 T CA 0.135 62.257 62.100 0.037 0.000 0.941 322 T CB 0.062 68.928 68.868 -0.003 0.000 1.026 322 T HN -0.037 nan 8.240 nan 0.000 0.533 323 D N 1.660 122.056 120.400 -0.005 0.000 2.144 323 D HA -0.069 4.570 4.640 -0.001 0.000 0.199 323 D C 2.163 178.423 176.300 -0.066 0.000 0.984 323 D CA 0.666 54.642 54.000 -0.041 0.000 0.834 323 D CB -0.399 40.374 40.800 -0.044 0.000 0.955 323 D HN 0.283 nan 8.370 nan 0.000 0.465 324 V N 0.766 120.641 119.914 -0.065 0.000 2.490 324 V HA -0.207 3.912 4.120 -0.001 0.000 0.250 324 V C 2.129 178.214 176.094 -0.015 0.000 1.061 324 V CA 1.181 63.388 62.300 -0.154 0.000 1.064 324 V CB -0.281 31.342 31.823 -0.334 0.000 0.670 324 V HN 0.165 nan 8.190 nan 0.000 0.461 325 I N -0.204 120.400 120.570 0.056 0.000 2.252 325 I HA -0.122 4.048 4.170 -0.001 0.000 0.245 325 I C 2.518 178.683 176.117 0.080 0.000 1.102 325 I CA 1.333 62.711 61.300 0.130 0.000 1.385 325 I CB -0.467 37.581 38.000 0.080 0.000 1.064 325 I HN 0.306 nan 8.210 nan 0.000 0.414 326 E N 0.864 121.064 120.200 0.001 0.000 2.208 326 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 326 E C 1.975 178.535 176.600 -0.067 0.000 0.988 326 E CA 0.676 57.057 56.400 -0.031 0.000 0.828 326 E CB -0.252 29.416 29.700 -0.053 0.000 0.763 326 E HN 0.350 nan 8.360 nan 0.000 0.478 327 K N 0.360 120.677 120.400 -0.137 0.000 2.062 327 K HA -0.055 4.264 4.320 -0.001 0.000 0.205 327 K C 1.758 178.184 176.600 -0.290 0.000 1.051 327 K CA 0.793 56.909 56.287 -0.285 0.000 0.941 327 K CB -0.154 32.052 32.500 -0.489 0.000 0.719 327 K HN 0.064 nan 8.250 nan 0.000 0.440 328 F N 0.403 120.365 119.950 0.020 0.000 2.473 328 F HA 0.042 4.568 4.527 -0.002 0.000 0.294 328 F C 1.029 176.886 175.800 0.094 0.000 1.103 328 F CA 0.290 58.342 58.000 0.087 0.000 1.442 328 F CB 0.465 39.574 39.000 0.182 0.000 1.097 328 F HN -0.290 nan 8.300 nan 0.000 0.547 329 V N 2.038 122.079 119.914 0.212 0.000 2.384 329 V HA 0.188 4.307 4.120 -0.001 0.000 0.257 329 V C -1.833 174.270 176.094 0.014 0.000 0.969 329 V CA -0.779 61.592 62.300 0.118 0.000 0.910 329 V CB 0.839 32.754 31.823 0.153 0.000 1.150 329 V HN -0.062 nan 8.190 nan 0.000 0.481 330 P HA 0.100 nan 4.420 nan 0.000 0.239 330 P C 0.107 177.372 177.300 -0.059 0.000 1.188 330 P CA 0.653 63.727 63.100 -0.044 0.000 0.794 330 P CB 0.844 32.512 31.700 -0.054 0.000 0.937 331 D N 1.231 121.587 120.400 -0.072 0.000 2.414 331 D HA 0.164 4.803 4.640 -0.001 0.000 0.232 331 D C -1.609 174.605 176.300 -0.144 0.000 1.070 331 D CA -2.746 51.209 54.000 -0.075 0.000 0.839 331 D CB 1.438 42.218 40.800 -0.034 0.000 1.079 331 D HN -0.048 nan 8.370 nan 0.000 0.521 332 P HA -0.066 nan 4.420 nan 0.000 0.234 332 P C 0.298 177.448 177.300 -0.250 0.000 1.167 332 P CA 0.774 63.758 63.100 -0.193 0.000 0.763 332 P CB 0.495 32.125 31.700 -0.117 0.000 0.835 333 E N -1.554 118.511 120.200 -0.226 0.000 2.460 333 E HA 0.054 4.403 4.350 -0.001 0.000 0.200 333 E C -0.137 176.061 176.600 -0.669 0.000 1.011 333 E CA 0.136 56.318 56.400 -0.364 0.000 0.912 333 E CB 0.155 29.679 29.700 -0.292 0.000 0.953 333 E HN 0.501 nan 8.360 nan 0.000 0.494 334 H N -1.556 117.288 119.070 -0.376 0.000 2.895 334 H HA 0.410 4.965 4.556 -0.001 0.000 0.373 334 H C -1.185 173.750 175.328 -0.656 0.000 1.174 334 H CA -0.651 55.124 56.048 -0.456 0.000 1.144 334 H CB 1.121 30.708 29.762 -0.291 0.000 1.793 334 H HN -0.153 nan 8.280 nan 0.000 0.551 335 F N 0.186 119.759 119.950 -0.628 0.000 2.575 335 F HA 0.464 4.991 4.527 -0.001 0.000 0.330 335 F C 0.712 176.158 175.800 -0.591 0.000 1.056 335 F CA -0.874 56.740 58.000 -0.644 0.000 0.964 335 F CB 1.314 39.713 39.000 -1.001 0.000 1.258 335 F HN 0.501 nan 8.300 nan 0.000 0.484 336 R N 0.311 120.788 120.500 -0.038 0.000 3.531 336 R HA -0.244 4.095 4.340 -0.001 0.000 0.280 336 R C 1.147 177.440 176.300 -0.011 0.000 1.130 336 R CA 0.550 56.632 56.100 -0.031 0.000 0.757 336 R CB -1.072 29.118 30.300 -0.184 0.000 1.218 336 R HN 0.508 nan 8.270 nan 0.000 0.454 337 K N 0.948 121.356 120.400 0.013 0.000 2.147 337 K HA -0.074 4.245 4.320 -0.001 0.000 0.205 337 K C 1.859 178.459 176.600 0.000 0.000 1.049 337 K CA 2.131 58.403 56.287 -0.024 0.000 0.936 337 K CB -0.028 32.455 32.500 -0.028 0.000 0.722 337 K HN 0.458 nan 8.250 nan 0.000 0.446 338 T N -2.369 112.225 114.554 0.067 0.000 3.129 338 T HA 0.059 4.408 4.350 -0.001 0.000 0.251 338 T C 0.811 175.543 174.700 0.054 0.000 1.117 338 T CA 0.248 62.383 62.100 0.059 0.000 1.034 338 T CB -0.588 68.349 68.868 0.115 0.000 0.968 338 T HN 0.278 nan 8.240 nan 0.000 0.526 339 T N -0.043 114.538 114.554 0.045 0.000 2.880 339 T HA 0.345 4.694 4.350 -0.001 0.000 0.279 339 T C 0.479 175.182 174.700 0.004 0.000 0.990 339 T CA -0.270 61.849 62.100 0.031 0.000 0.938 339 T CB 1.250 70.138 68.868 0.034 0.000 1.206 339 T HN 0.188 nan 8.240 nan 0.000 0.573 340 D N -0.481 119.921 120.400 0.004 0.000 2.358 340 D HA 0.069 4.708 4.640 -0.001 0.000 0.224 340 D C -0.106 176.189 176.300 -0.009 0.000 1.123 340 D CA -0.457 53.539 54.000 -0.006 0.000 0.833 340 D CB -0.933 39.866 40.800 -0.001 0.000 0.946 340 D HN 0.718 nan 8.370 nan 0.000 0.505 341 N N -0.377 118.317 118.700 -0.009 0.000 2.732 341 N HA 0.180 4.919 4.740 -0.001 0.000 0.230 341 N C -3.086 172.427 175.510 0.006 0.000 1.487 341 N CA -1.052 51.995 53.050 -0.005 0.000 0.765 341 N CB 0.962 39.446 38.487 -0.005 0.000 1.384 341 N HN -0.142 nan 8.380 nan 0.000 0.530 342 P HA 0.309 nan 4.420 nan 0.000 0.272 342 P C -0.729 176.621 177.300 0.083 0.000 1.240 342 P CA -0.207 62.874 63.100 -0.031 0.000 0.791 342 P CB 0.630 32.272 31.700 -0.098 0.000 0.978 343 F N -1.856 118.091 119.950 -0.005 0.000 2.613 343 F HA 0.690 5.217 4.527 -0.001 0.000 0.314 343 F C -0.411 175.447 175.800 0.096 0.000 1.075 343 F CA -2.029 55.987 58.000 0.027 0.000 0.945 343 F CB 1.113 40.068 39.000 -0.074 0.000 1.310 343 F HN 0.039 nan 8.300 nan 0.000 0.467 344 K N 2.498 123.053 120.400 0.259 0.000 2.412 344 K HA 0.581 4.900 4.320 -0.001 0.000 0.284 344 K C -0.451 176.206 176.600 0.095 0.000 1.046 344 K CA 0.173 56.438 56.287 -0.036 0.000 0.999 344 K CB 0.542 33.036 32.500 -0.009 0.000 0.941 344 K HN 0.943 nan 8.250 nan 0.000 0.474 345 A N 5.821 128.561 122.820 -0.134 0.000 2.409 345 A HA 0.518 4.838 4.320 -0.001 0.000 0.267 345 A C -0.697 176.935 177.584 0.081 0.000 1.127 345 A CA -0.316 51.766 52.037 0.076 0.000 0.795 345 A CB -0.238 18.672 19.000 -0.151 0.000 1.061 345 A HN 0.735 nan 8.150 nan 0.000 0.502 346 L N 1.663 122.993 121.223 0.178 0.000 2.491 346 L HA 0.696 5.035 4.340 -0.001 0.000 0.254 346 L C 1.152 178.091 176.870 0.115 0.000 1.048 346 L CA -0.338 54.555 54.840 0.088 0.000 0.855 346 L CB 1.587 43.664 42.059 0.030 0.000 1.466 346 L HN 1.144 nan 8.230 nan 0.000 0.409 347 G N 0.558 109.399 108.800 0.068 0.000 2.627 347 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.312 347 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.312 347 G C 0.885 175.864 174.900 0.131 0.000 1.299 347 G CA 0.657 45.817 45.100 0.101 0.000 0.989 347 G HN 1.118 nan 8.290 nan 0.000 0.547 348 G N -0.255 108.650 108.800 0.174 0.000 2.469 348 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 348 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 348 G C 1.590 176.652 174.900 0.270 0.000 1.150 348 G CA 1.666 46.883 45.100 0.195 0.000 0.763 348 G HN 0.838 nan 8.290 nan 0.000 0.561 349 N N -0.192 118.723 118.700 0.357 0.000 2.104 349 N HA -0.104 4.635 4.740 -0.001 0.000 0.190 349 N C 2.015 177.835 175.510 0.518 0.000 1.024 349 N CA 0.841 54.172 53.050 0.467 0.000 0.853 349 N CB -0.156 38.690 38.487 0.598 0.000 1.008 349 N HN 0.233 nan 8.380 nan 0.000 0.424 350 L N 0.909 122.339 121.223 0.344 0.000 2.141 350 L HA -0.056 4.283 4.340 -0.001 0.000 0.209 350 L C 1.821 178.787 176.870 0.159 0.000 1.094 350 L CA 1.201 56.167 54.840 0.209 0.000 0.763 350 L CB -0.252 41.866 42.059 0.098 0.000 0.908 350 L HN -0.021 nan 8.230 nan 0.000 0.437 351 V N -0.565 119.444 119.914 0.158 0.000 2.379 351 V HA -0.223 3.896 4.120 -0.001 0.000 0.245 351 V C 2.203 178.388 176.094 0.151 0.000 1.044 351 V CA 1.796 64.170 62.300 0.124 0.000 1.036 351 V CB -0.660 31.230 31.823 0.111 0.000 0.664 351 V HN 0.408 nan 8.190 nan 0.000 0.453 352 D N -0.492 120.030 120.400 0.204 0.000 2.178 352 D HA -0.171 4.468 4.640 -0.001 0.000 0.201 352 D C 2.000 178.435 176.300 0.226 0.000 0.980 352 D CA 1.157 55.271 54.000 0.191 0.000 0.842 352 D CB -0.118 40.785 40.800 0.172 0.000 0.948 352 D HN 0.362 nan 8.370 nan 0.000 0.472 353 M N 0.440 120.229 119.600 0.316 0.000 2.202 353 M HA -0.041 4.438 4.480 -0.001 0.000 0.262 353 M C 1.835 178.168 176.300 0.055 0.000 1.063 353 M CA 1.591 57.006 55.300 0.192 0.000 1.097 353 M CB -0.539 32.048 32.600 -0.021 0.000 1.382 353 M HN -0.039 nan 8.290 nan 0.000 0.413 354 G N -0.427 108.403 108.800 0.051 0.000 2.394 354 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.215 354 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.215 354 G C 1.651 176.522 174.900 -0.048 0.000 1.165 354 G CA 0.321 45.419 45.100 -0.003 0.000 0.784 354 G HN 0.487 nan 8.290 nan 0.000 0.535 355 R N -0.162 120.338 120.500 0.001 0.000 2.285 355 R HA 0.075 4.414 4.340 -0.001 0.000 0.213 355 R C 2.127 178.400 176.300 -0.045 0.000 1.068 355 R CA 0.413 56.497 56.100 -0.027 0.000 1.004 355 R CB -0.040 30.337 30.300 0.129 0.000 0.873 355 R HN 0.349 nan 8.270 nan 0.000 0.467 356 V N 0.434 120.339 119.914 -0.015 0.000 2.490 356 V HA -0.084 4.035 4.120 -0.001 0.000 0.238 356 V C 1.850 177.919 176.094 -0.043 0.000 1.056 356 V CA 1.243 63.536 62.300 -0.012 0.000 1.075 356 V CB -0.060 31.795 31.823 0.052 0.000 0.746 356 V HN 0.156 nan 8.190 nan 0.000 0.479 357 K N -0.142 120.233 120.400 -0.043 0.000 2.243 357 K HA 0.034 4.353 4.320 -0.001 0.000 0.201 357 K C 1.971 178.520 176.600 -0.086 0.000 1.051 357 K CA 0.695 56.946 56.287 -0.060 0.000 0.970 357 K CB 0.017 32.483 32.500 -0.058 0.000 0.755 357 K HN 0.253 nan 8.250 nan 0.000 0.465 358 V N 1.933 121.780 119.914 -0.112 0.000 2.358 358 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 358 V C 2.151 178.131 176.094 -0.190 0.000 1.047 358 V CA 1.326 63.545 62.300 -0.134 0.000 1.035 358 V CB -0.295 31.436 31.823 -0.153 0.000 0.658 358 V HN 0.233 nan 8.190 nan 0.000 0.452 359 I N 0.733 121.133 120.570 -0.282 0.000 2.286 359 I HA -0.132 4.037 4.170 -0.001 0.000 0.245 359 I C 2.720 178.736 176.117 -0.169 0.000 1.104 359 I CA 1.792 62.892 61.300 -0.333 0.000 1.397 359 I CB -1.747 35.976 38.000 -0.463 0.000 1.072 359 I HN 0.288 nan 8.210 nan 0.000 0.417 360 A N 1.149 123.896 122.820 -0.122 0.000 1.933 360 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 360 A C 2.505 180.037 177.584 -0.086 0.000 1.175 360 A CA 1.860 53.849 52.037 -0.080 0.000 0.628 360 A CB -1.310 17.656 19.000 -0.056 0.000 0.814 360 A HN 0.433 nan 8.150 nan 0.000 0.444 361 G N -0.246 108.501 108.800 -0.089 0.000 2.418 361 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.217 361 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.217 361 G C 1.545 176.386 174.900 -0.098 0.000 1.158 361 G CA 1.003 46.052 45.100 -0.084 0.000 0.771 361 G HN 0.438 nan 8.290 nan 0.000 0.545 362 L N -0.202 120.983 121.223 -0.063 0.000 2.093 362 L HA 0.044 4.383 4.340 -0.001 0.000 0.208 362 L C 2.862 179.695 176.870 -0.062 0.000 1.085 362 L CA 0.469 55.310 54.840 0.002 0.000 0.755 362 L CB -0.327 41.743 42.059 0.018 0.000 0.904 362 L HN 0.176 nan 8.230 nan 0.000 0.435 363 L N -0.597 120.584 121.223 -0.070 0.000 2.141 363 L HA -0.153 4.186 4.340 -0.001 0.000 0.209 363 L C 2.300 179.107 176.870 -0.105 0.000 1.094 363 L CA 1.188 55.993 54.840 -0.057 0.000 0.763 363 L CB -0.264 41.771 42.059 -0.040 0.000 0.908 363 L HN 0.194 nan 8.230 nan 0.000 0.437 364 R N -0.096 120.318 120.500 -0.143 0.000 2.334 364 R HA 0.079 4.418 4.340 -0.001 0.000 0.216 364 R C 0.024 176.156 176.300 -0.280 0.000 0.905 364 R CA -0.131 55.870 56.100 -0.164 0.000 1.064 364 R CB 0.179 30.405 30.300 -0.123 0.000 1.046 364 R HN 0.100 nan 8.270 nan 0.000 0.508 365 K N 1.575 121.689 120.400 -0.477 0.000 3.156 365 K HA -0.185 4.135 4.320 -0.001 0.000 0.266 365 K C -0.695 175.549 176.600 -0.593 0.000 0.966 365 K CA 0.789 56.453 56.287 -1.038 0.000 0.719 365 K CB -1.016 30.925 32.500 -0.932 0.000 1.333 365 K HN 0.183 nan 8.250 nan 0.000 0.468 366 D N 0.971 121.182 120.400 -0.316 0.000 2.454 366 D HA 0.095 4.734 4.640 -0.001 0.000 0.225 366 D C 0.595 176.871 176.300 -0.040 0.000 1.081 366 D CA -0.382 53.534 54.000 -0.139 0.000 0.864 366 D CB 0.771 41.508 40.800 -0.106 0.000 1.040 366 D HN 0.043 nan 8.370 nan 0.000 0.517 367 D N 1.970 122.387 120.400 0.028 0.000 2.144 367 D HA -0.182 4.458 4.640 -0.001 0.000 0.199 367 D C 1.540 177.860 176.300 0.033 0.000 0.984 367 D CA 0.717 54.767 54.000 0.083 0.000 0.834 367 D CB 0.345 41.207 40.800 0.103 0.000 0.955 367 D HN 0.518 nan 8.370 nan 0.000 0.465 368 Q N 1.113 120.918 119.800 0.008 0.000 2.119 368 Q HA -0.176 4.164 4.340 -0.001 0.000 0.201 368 Q C 1.921 177.913 176.000 -0.013 0.000 0.972 368 Q CA 1.198 56.999 55.803 -0.003 0.000 0.847 368 Q CB 0.010 28.741 28.738 -0.013 0.000 0.903 368 Q HN 0.428 nan 8.270 nan 0.000 0.433 369 E N -0.218 119.968 120.200 -0.022 0.000 2.106 369 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 369 E C 2.145 178.730 176.600 -0.025 0.000 0.984 369 E CA 0.860 57.241 56.400 -0.032 0.000 0.806 369 E CB -0.087 29.585 29.700 -0.046 0.000 0.750 369 E HN 0.406 nan 8.360 nan 0.000 0.458 370 I N 1.170 121.734 120.570 -0.009 0.000 2.163 370 I HA -0.272 3.897 4.170 -0.001 0.000 0.240 370 I C 2.766 178.885 176.117 0.004 0.000 1.081 370 I CA 1.350 62.651 61.300 0.001 0.000 1.353 370 I CB -0.471 37.552 38.000 0.038 0.000 1.054 370 I HN 0.221 nan 8.210 nan 0.000 0.407 371 S N 0.834 116.540 115.700 0.011 0.000 2.356 371 S HA -0.209 4.260 4.470 -0.001 0.000 0.223 371 S C 2.192 176.794 174.600 0.003 0.000 1.032 371 S CA 1.460 59.666 58.200 0.011 0.000 1.005 371 S CB -1.011 62.196 63.200 0.013 0.000 0.867 371 S HN 0.557 nan 8.310 nan 0.000 0.449 372 S N 1.527 117.223 115.700 -0.006 0.000 2.382 372 S HA -0.125 4.344 4.470 -0.001 0.000 0.228 372 S C 1.921 176.508 174.600 -0.022 0.000 1.027 372 S CA 1.578 59.770 58.200 -0.014 0.000 0.991 372 S CB -1.594 61.593 63.200 -0.022 0.000 0.823 372 S HN 0.591 nan 8.310 nan 0.000 0.469 373 T N 2.664 117.202 114.554 -0.026 0.000 2.777 373 T HA 0.176 4.525 4.350 -0.001 0.000 0.266 373 T C 1.747 176.438 174.700 -0.014 0.000 1.040 373 T CA 1.365 63.444 62.100 -0.035 0.000 1.141 373 T CB -0.445 68.397 68.868 -0.044 0.000 0.868 373 T HN 0.389 nan 8.240 nan 0.000 0.444 374 I N 0.753 121.324 120.570 0.003 0.000 2.286 374 I HA -0.161 4.008 4.170 -0.001 0.000 0.248 374 I C 2.824 178.967 176.117 0.044 0.000 1.115 374 I CA 1.163 62.481 61.300 0.030 0.000 1.392 374 I CB -0.360 37.661 38.000 0.035 0.000 1.065 374 I HN 0.139 nan 8.210 nan 0.000 0.418 375 R N 0.447 120.963 120.500 0.027 0.000 2.081 375 R HA -0.197 4.142 4.340 -0.001 0.000 0.235 375 R C 2.507 178.822 176.300 0.026 0.000 1.131 375 R CA 1.915 58.034 56.100 0.031 0.000 0.960 375 R CB -0.223 30.086 30.300 0.016 0.000 0.856 375 R HN 0.194 nan 8.270 nan 0.000 0.436 376 S N 0.279 115.978 115.700 -0.001 0.000 2.368 376 S HA -0.067 4.402 4.470 -0.001 0.000 0.224 376 S C 1.938 176.532 174.600 -0.010 0.000 1.029 376 S CA 1.089 59.274 58.200 -0.025 0.000 0.988 376 S CB -0.166 62.995 63.200 -0.065 0.000 0.838 376 S HN 0.374 nan 8.310 nan 0.000 0.462 377 I N 1.485 122.059 120.570 0.006 0.000 2.335 377 I HA -0.169 4.000 4.170 -0.001 0.000 0.251 377 I C 2.273 178.400 176.117 0.016 0.000 1.129 377 I CA 1.325 62.631 61.300 0.009 0.000 1.402 377 I CB -0.438 37.583 38.000 0.035 0.000 1.069 377 I HN 0.430 nan 8.210 nan 0.000 0.424 378 E N 0.587 120.853 120.200 0.110 0.000 2.267 378 E HA -0.267 4.083 4.350 -0.001 0.000 0.197 378 E C 2.012 178.722 176.600 0.183 0.000 0.998 378 E CA 0.791 57.339 56.400 0.247 0.000 0.830 378 E CB -0.155 29.680 29.700 0.226 0.000 0.751 378 E HN 0.631 nan 8.360 nan 0.000 0.491 379 Q N 0.385 120.229 119.800 0.073 0.000 2.170 379 Q HA -0.127 4.213 4.340 -0.001 0.000 0.203 379 Q C 2.339 178.372 176.000 0.055 0.000 0.976 379 Q CA 0.910 56.749 55.803 0.060 0.000 0.858 379 Q CB -0.172 28.576 28.738 0.016 0.000 0.907 379 Q HN 0.155 nan 8.270 nan 0.000 0.433 380 V N 0.233 120.121 119.914 -0.042 0.000 2.688 380 V HA -0.215 3.905 4.120 -0.001 0.000 0.256 380 V C 1.141 177.293 176.094 0.097 0.000 1.084 380 V CA 1.480 63.745 62.300 -0.059 0.000 1.103 380 V CB -0.341 31.353 31.823 -0.214 0.000 0.688 380 V HN 0.289 nan 8.190 nan 0.000 0.480 381 F N 0.450 120.593 119.950 0.321 0.000 2.811 381 F HA 0.252 4.779 4.527 -0.000 0.000 0.301 381 F C 1.244 177.171 175.800 0.212 0.000 1.151 381 F CA 0.054 58.227 58.000 0.287 0.000 1.412 381 F CB -0.261 38.797 39.000 0.097 0.000 1.113 381 F HN 0.059 nan 8.300 nan 0.000 0.579 382 K N 1.562 122.147 120.400 0.307 0.000 2.248 382 K HA 0.386 4.705 4.320 -0.001 0.000 0.281 382 K C -0.234 176.470 176.600 0.174 0.000 1.054 382 K CA -0.373 56.028 56.287 0.191 0.000 0.903 382 K CB 1.321 33.891 32.500 0.116 0.000 1.077 382 K HN 0.046 nan 8.250 nan 0.000 0.474 383 L N 3.374 124.673 121.223 0.127 0.000 2.417 383 L HA 0.214 4.553 4.340 -0.001 0.000 0.268 383 L C 0.408 177.249 176.870 -0.047 0.000 1.158 383 L CA -0.595 54.291 54.840 0.078 0.000 0.819 383 L CB 0.688 42.760 42.059 0.021 0.000 1.112 383 L HN 0.406 nan 8.230 nan 0.000 0.458 384 V N -1.223 118.566 119.914 -0.209 0.000 2.994 384 V HA 0.514 4.633 4.120 -0.001 0.000 0.318 384 V C -0.299 175.498 176.094 -0.495 0.000 1.085 384 V CA -0.601 61.498 62.300 -0.335 0.000 0.998 384 V CB 1.900 33.476 31.823 -0.412 0.000 1.063 384 V HN 0.838 nan 8.190 nan 0.000 0.447 385 D N -0.638 119.593 120.400 -0.281 0.000 2.469 385 D HA 0.271 4.910 4.640 -0.001 0.000 0.213 385 D C 0.251 176.599 176.300 0.081 0.000 1.135 385 D CA 0.108 54.064 54.000 -0.074 0.000 0.834 385 D CB 0.456 41.270 40.800 0.023 0.000 1.009 385 D HN 0.758 nan 8.370 nan 0.000 0.507 386 Q N -0.466 119.308 119.800 -0.043 0.000 2.594 386 Q HA 0.442 4.781 4.340 -0.001 0.000 0.278 386 Q C -0.224 175.798 176.000 0.036 0.000 0.961 386 Q CA -0.171 55.700 55.803 0.112 0.000 0.844 386 Q CB 1.555 30.336 28.738 0.071 0.000 1.475 386 Q HN 0.212 nan 8.270 nan 0.000 0.389 387 G N 1.773 110.638 108.800 0.108 0.000 2.593 387 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.237 387 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.237 387 G C -0.998 173.904 174.900 0.003 0.000 1.312 387 G CA -0.051 45.066 45.100 0.030 0.000 0.896 387 G HN 0.643 nan 8.290 nan 0.000 0.574 388 E N 0.619 120.764 120.200 -0.090 0.000 2.354 388 E HA 0.511 4.861 4.350 -0.001 0.000 0.269 388 E C 0.684 177.112 176.600 -0.286 0.000 1.036 388 E CA 0.429 56.705 56.400 -0.207 0.000 0.876 388 E CB 1.164 30.742 29.700 -0.202 0.000 1.009 388 E HN 1.922 nan 8.360 nan 0.000 0.416 389 G N 1.319 109.804 108.800 -0.526 0.000 2.334 389 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.315 389 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.315 389 G C -1.451 173.190 174.900 -0.431 0.000 1.284 389 G CA -1.168 43.647 45.100 -0.476 0.000 0.985 389 G HN 0.284 nan 8.290 nan 0.000 0.504 390 F N 0.378 120.298 119.950 -0.050 0.000 2.396 390 F HA 0.718 5.245 4.527 -0.001 0.000 0.343 390 F C 0.408 176.241 175.800 0.054 0.000 1.104 390 F CA -0.061 58.011 58.000 0.120 0.000 1.161 390 F CB 1.082 40.158 39.000 0.127 0.000 1.146 390 F HN 0.408 nan 8.300 nan 0.000 0.522 391 Y N 0.481 120.959 120.300 0.295 0.000 2.534 391 Y HA 0.223 4.773 4.550 -0.001 0.000 0.329 391 Y C 1.267 177.323 175.900 0.259 0.000 1.154 391 Y CA -0.829 57.394 58.100 0.205 0.000 1.192 391 Y CB 1.008 39.554 38.460 0.143 0.000 1.275 391 Y HN 0.509 nan 8.280 nan 0.000 0.491 392 Q N 1.274 121.269 119.800 0.325 0.000 2.170 392 Q HA -0.174 4.165 4.340 -0.001 0.000 0.203 392 Q C 1.083 177.320 176.000 0.395 0.000 0.976 392 Q CA 2.238 58.205 55.803 0.273 0.000 0.858 392 Q CB -0.297 28.543 28.738 0.170 0.000 0.907 392 Q HN 0.776 nan 8.270 nan 0.000 0.433 393 D N -2.043 118.563 120.400 0.344 0.000 2.349 393 D HA 0.091 4.730 4.640 -0.001 0.000 0.224 393 D C 1.081 177.605 176.300 0.373 0.000 1.029 393 D CA 0.819 54.979 54.000 0.268 0.000 0.879 393 D CB -0.201 40.697 40.800 0.162 0.000 0.906 393 D HN 0.395 nan 8.370 nan 0.000 0.528 394 G N -0.549 108.539 108.800 0.479 0.000 2.213 394 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.236 394 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.236 394 G C 0.450 175.560 174.900 0.350 0.000 0.991 394 G CA 0.160 45.563 45.100 0.506 0.000 0.629 394 G HN 0.435 nan 8.290 nan 0.000 0.517 395 S N -0.303 115.589 115.700 0.320 0.000 2.576 395 S HA 0.507 4.977 4.470 -0.001 0.000 0.272 395 S C -0.439 174.249 174.600 0.147 0.000 1.352 395 S CA 0.377 58.593 58.200 0.027 0.000 1.021 395 S CB 1.235 64.372 63.200 -0.106 0.000 0.887 395 S HN 0.865 nan 8.310 nan 0.000 0.542 396 Y N 1.737 121.935 120.300 -0.170 0.000 2.354 396 Y HA 0.538 5.087 4.550 -0.002 0.000 0.330 396 Y C -1.369 174.423 175.900 -0.180 0.000 1.011 396 Y CA -0.862 57.086 58.100 -0.253 0.000 1.099 396 Y CB 0.631 38.737 38.460 -0.590 0.000 1.179 396 Y HN 0.425 nan 8.280 nan 0.000 0.442 397 I N 5.798 125.959 120.570 -0.681 0.000 2.474 397 I HA 0.403 4.572 4.170 -0.001 0.000 0.294 397 I C -0.663 175.067 176.117 -0.646 0.000 1.005 397 I CA -0.408 60.633 61.300 -0.432 0.000 1.113 397 I CB 1.772 39.680 38.000 -0.154 0.000 1.289 397 I HN 0.711 nan 8.210 nan 0.000 0.436 398 D N 3.015 123.233 120.400 -0.304 0.000 2.579 398 D HA 0.326 4.965 4.640 -0.001 0.000 0.257 398 D C -0.414 175.800 176.300 -0.142 0.000 1.176 398 D CA -0.251 53.547 54.000 -0.337 0.000 0.914 398 D CB 1.524 42.029 40.800 -0.492 0.000 1.431 398 D HN 0.641 nan 8.370 nan 0.000 0.454 399 H N 0.647 119.526 119.070 -0.318 0.000 2.677 399 H HA -0.221 4.334 4.556 -0.002 0.000 0.321 399 H C 0.494 175.733 175.328 -0.149 0.000 1.171 399 H CA 0.508 56.410 56.048 -0.244 0.000 1.139 399 H CB -1.068 28.599 29.762 -0.158 0.000 1.515 399 H HN 0.540 nan 8.280 nan 0.000 0.423 400 T N -1.296 113.234 114.554 -0.041 0.000 12.892 400 T HA -0.339 4.010 4.350 -0.001 0.000 0.418 400 T C 0.894 175.580 174.700 -0.023 0.000 1.450 400 T CA 2.053 64.129 62.100 -0.040 0.000 2.382 400 T CB -0.935 67.909 68.868 -0.041 0.000 2.816 400 T HN 0.768 nan 8.240 nan 0.000 0.702 401 N N 0.321 119.016 118.700 -0.009 0.000 2.527 401 N HA 0.399 5.138 4.740 -0.001 0.000 0.279 401 N C -1.100 174.403 175.510 -0.012 0.000 1.571 401 N CA -0.210 52.836 53.050 -0.007 0.000 0.858 401 N CB -0.036 38.461 38.487 0.016 0.000 1.422 401 N HN 0.484 nan 8.380 nan 0.000 0.491 402 V N 0.626 120.531 119.914 -0.015 0.000 2.459 402 V HA 0.802 4.921 4.120 -0.001 0.000 0.295 402 V C 0.565 176.605 176.094 -0.091 0.000 1.029 402 V CA -1.196 61.069 62.300 -0.057 0.000 0.874 402 V CB 1.323 33.121 31.823 -0.041 0.000 0.985 402 V HN 0.447 nan 8.190 nan 0.000 0.438 403 A N 3.892 126.625 122.820 -0.145 0.000 2.522 403 A HA 0.396 4.715 4.320 -0.001 0.000 0.256 403 A C -0.334 177.158 177.584 -0.152 0.000 1.086 403 A CA 0.513 52.470 52.037 -0.134 0.000 0.763 403 A CB -0.420 18.500 19.000 -0.134 0.000 1.024 403 A HN 0.840 nan 8.150 nan 0.000 0.502 404 Y N 1.693 121.996 120.300 0.005 0.000 2.863 404 Y HA 0.108 4.657 4.550 -0.001 0.000 0.254 404 Y C 1.851 177.795 175.900 0.074 0.000 1.124 404 Y CA 0.092 58.242 58.100 0.084 0.000 1.203 404 Y CB -0.130 38.417 38.460 0.145 0.000 1.269 404 Y HN 0.733 nan 8.280 nan 0.000 0.586 405 T N -1.465 113.147 114.554 0.097 0.000 2.699 405 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 405 T C 2.077 176.712 174.700 -0.109 0.000 1.036 405 T CA 1.863 63.820 62.100 -0.237 0.000 1.147 405 T CB -0.357 68.288 68.868 -0.371 0.000 0.862 405 T HN 0.565 nan 8.240 nan 0.000 0.446 406 G N -0.378 108.416 108.800 -0.011 0.000 3.026 406 G HA2 0.407 4.366 3.960 -0.001 0.000 0.208 406 G HA3 0.407 4.366 3.960 -0.001 0.000 0.208 406 G C 0.917 175.829 174.900 0.020 0.000 1.169 406 G CA 0.662 45.776 45.100 0.023 0.000 0.788 406 G HN 0.619 nan 8.290 nan 0.000 0.533 407 A N -0.272 122.571 122.820 0.038 0.000 1.808 407 A HA 0.506 4.825 4.320 -0.001 0.000 0.190 407 A C 1.463 178.841 177.584 -0.342 0.000 1.822 407 A CA 0.039 51.998 52.037 -0.130 0.000 1.090 407 A CB -0.331 18.651 19.000 -0.029 0.000 1.004 407 A HN 0.080 nan 8.150 nan 0.000 0.602 408 F N 1.611 121.359 119.950 -0.336 0.000 2.325 408 F HA 0.095 4.621 4.527 -0.002 0.000 0.299 408 F C 2.542 178.112 175.800 -0.383 0.000 1.090 408 F CA 1.318 59.103 58.000 -0.357 0.000 1.392 408 F CB -0.138 38.608 39.000 -0.424 0.000 1.053 408 F HN 0.360 nan 8.300 nan 0.000 0.521 409 G N -0.230 108.323 108.800 -0.411 0.000 2.408 409 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.217 409 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.217 409 G C 1.535 176.428 174.900 -0.012 0.000 1.150 409 G CA 0.838 45.581 45.100 -0.595 0.000 0.776 409 G HN 0.226 nan 8.290 nan 0.000 0.542 410 N N 0.521 119.214 118.700 -0.011 0.000 2.043 410 N HA -0.119 4.620 4.740 -0.001 0.000 0.193 410 N C 2.303 177.756 175.510 -0.095 0.000 1.037 410 N CA 1.270 54.284 53.050 -0.061 0.000 0.851 410 N CB -0.726 37.704 38.487 -0.095 0.000 1.027 410 N HN 0.156 nan 8.380 nan 0.000 0.422 411 V N 1.388 121.232 119.914 -0.117 0.000 2.332 411 V HA -0.198 3.921 4.120 -0.001 0.000 0.248 411 V C 2.311 178.399 176.094 -0.010 0.000 1.055 411 V CA 1.217 63.474 62.300 -0.072 0.000 1.038 411 V CB -0.602 31.166 31.823 -0.092 0.000 0.651 411 V HN 0.308 nan 8.190 nan 0.000 0.450 412 L N -0.573 120.637 121.223 -0.022 0.000 1.970 412 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 412 L C 2.333 179.236 176.870 0.055 0.000 1.071 412 L CA 2.113 56.956 54.840 0.005 0.000 0.751 412 L CB -0.205 41.799 42.059 -0.092 0.000 0.889 412 L HN 0.275 nan 8.230 nan 0.000 0.432 413 I N -0.569 120.027 120.570 0.044 0.000 2.315 413 I HA -0.289 3.880 4.170 -0.001 0.000 0.248 413 I C 2.020 178.144 176.117 0.012 0.000 1.117 413 I CA 1.705 63.041 61.300 0.060 0.000 1.404 413 I CB -0.086 37.833 38.000 -0.135 0.000 1.071 413 I HN 0.438 nan 8.210 nan 0.000 0.419 414 D N 0.449 120.827 120.400 -0.036 0.000 2.097 414 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 414 D C 2.092 178.413 176.300 0.034 0.000 0.984 414 D CA 1.757 55.742 54.000 -0.025 0.000 0.826 414 D CB -0.365 40.404 40.800 -0.051 0.000 0.973 414 D HN 0.373 nan 8.370 nan 0.000 0.460 415 G N 0.083 108.920 108.800 0.062 0.000 2.403 415 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 415 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 415 G C 1.558 176.550 174.900 0.153 0.000 1.154 415 G CA 0.725 45.896 45.100 0.118 0.000 0.784 415 G HN 0.345 nan 8.290 nan 0.000 0.538 416 L N 1.993 123.302 121.223 0.143 0.000 2.093 416 L HA -0.015 4.325 4.340 -0.001 0.000 0.208 416 L C 3.046 180.022 176.870 0.175 0.000 1.085 416 L CA 2.346 57.290 54.840 0.173 0.000 0.755 416 L CB -0.499 41.689 42.059 0.215 0.000 0.904 416 L HN 0.322 nan 8.230 nan 0.000 0.435 417 S N -1.905 113.879 115.700 0.140 0.000 2.447 417 S HA -0.199 4.270 4.470 -0.001 0.000 0.233 417 S C 1.848 176.518 174.600 0.117 0.000 1.006 417 S CA 0.985 59.250 58.200 0.108 0.000 0.957 417 S CB -0.478 62.759 63.200 0.061 0.000 0.773 417 S HN 0.646 nan 8.310 nan 0.000 0.507 418 Q N 0.562 120.450 119.800 0.147 0.000 2.096 418 Q HA 0.193 4.532 4.340 -0.001 0.000 0.197 418 Q C 2.235 178.462 176.000 0.377 0.000 0.964 418 Q CA 1.120 57.038 55.803 0.192 0.000 0.838 418 Q CB -0.257 28.581 28.738 0.166 0.000 0.906 418 Q HN 0.534 nan 8.270 nan 0.000 0.444 419 L N 0.415 121.853 121.223 0.359 0.000 2.072 419 L HA -0.171 4.168 4.340 -0.001 0.000 0.205 419 L C 2.291 179.276 176.870 0.191 0.000 1.079 419 L CA 0.700 55.707 54.840 0.279 0.000 0.752 419 L CB -0.370 41.781 42.059 0.152 0.000 0.906 419 L HN 0.260 nan 8.230 nan 0.000 0.436 420 L N -0.136 121.192 121.223 0.175 0.000 2.021 420 L HA -0.226 4.113 4.340 -0.001 0.000 0.215 420 L C -0.167 176.774 176.870 0.119 0.000 1.074 420 L CA 1.774 56.699 54.840 0.142 0.000 0.760 420 L CB -1.829 40.312 42.059 0.136 0.000 0.889 420 L HN 0.231 nan 8.230 nan 0.000 0.433 421 P HA -0.136 nan 4.420 nan 0.000 0.218 421 P C 1.826 179.196 177.300 0.117 0.000 1.148 421 P CA 1.120 64.288 63.100 0.113 0.000 0.822 421 P CB 0.115 31.887 31.700 0.121 0.000 0.784 422 V N -0.694 119.309 119.914 0.148 0.000 2.346 422 V HA -0.164 3.955 4.120 -0.001 0.000 0.244 422 V C 2.322 178.455 176.094 0.065 0.000 1.037 422 V CA 1.342 63.714 62.300 0.120 0.000 1.029 422 V CB -0.982 30.922 31.823 0.135 0.000 0.663 422 V HN 0.027 nan 8.190 nan 0.000 0.454 423 I N 0.085 120.691 120.570 0.060 0.000 2.208 423 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 423 I C 2.532 178.675 176.117 0.044 0.000 1.097 423 I CA 1.314 62.642 61.300 0.045 0.000 1.363 423 I CB -0.388 37.651 38.000 0.065 0.000 1.051 423 I HN 0.338 nan 8.210 nan 0.000 0.413 424 Q N 0.628 120.458 119.800 0.051 0.000 2.500 424 Q HA -0.113 4.226 4.340 -0.001 0.000 0.213 424 Q C 1.523 177.539 176.000 0.027 0.000 0.974 424 Q CA 1.085 56.910 55.803 0.036 0.000 0.918 424 Q CB -0.162 28.598 28.738 0.037 0.000 0.980 424 Q HN 0.522 nan 8.270 nan 0.000 0.505 425 K N 0.399 120.817 120.400 0.030 0.000 2.358 425 K HA 0.069 4.388 4.320 -0.001 0.000 0.200 425 K C 0.689 177.290 176.600 0.001 0.000 1.030 425 K CA 0.076 56.374 56.287 0.018 0.000 1.097 425 K CB 0.749 33.267 32.500 0.030 0.000 0.862 425 K HN 0.218 nan 8.250 nan 0.000 0.534 426 T N -1.892 112.664 114.554 0.003 0.000 2.814 426 T HA 0.200 4.549 4.350 -0.001 0.000 0.284 426 T C 0.916 175.608 174.700 -0.014 0.000 0.998 426 T CA -0.576 61.517 62.100 -0.011 0.000 0.935 426 T CB 1.006 69.877 68.868 0.005 0.000 1.167 426 T HN -0.117 nan 8.240 nan 0.000 0.545 427 K N 0.177 120.566 120.400 -0.018 0.000 2.487 427 K HA 0.121 4.440 4.320 -0.001 0.000 0.192 427 K C 0.094 176.694 176.600 -0.001 0.000 1.027 427 K CA 0.336 56.614 56.287 -0.014 0.000 1.054 427 K CB -0.234 32.255 32.500 -0.019 0.000 0.824 427 K HN 0.539 nan 8.250 nan 0.000 0.510 428 N N 1.534 120.238 118.700 0.007 0.000 2.644 428 N HA 0.110 4.849 4.740 -0.001 0.000 0.313 428 N C -2.756 172.765 175.510 0.019 0.000 1.863 428 N CA -1.161 51.898 53.050 0.013 0.000 0.918 428 N CB 0.908 39.406 38.487 0.018 0.000 1.320 428 N HN 0.038 nan 8.380 nan 0.000 0.490 429 P HA 0.063 nan 4.420 nan 0.000 0.269 429 P C -0.171 177.138 177.300 0.015 0.000 1.215 429 P CA 0.093 63.202 63.100 0.016 0.000 0.780 429 P CB 1.463 33.167 31.700 0.007 0.000 0.898 430 I N 1.847 122.427 120.570 0.016 0.000 2.428 430 I HA 0.127 4.296 4.170 -0.001 0.000 0.289 430 I C 0.848 176.935 176.117 -0.051 0.000 1.019 430 I CA -0.542 60.758 61.300 0.001 0.000 1.351 430 I CB 0.359 38.374 38.000 0.026 0.000 1.412 430 I HN 0.194 nan 8.210 nan 0.000 0.513 431 D N 6.296 126.661 120.400 -0.059 0.000 2.488 431 D HA -0.022 4.617 4.640 -0.001 0.000 0.238 431 D C 0.975 177.198 176.300 -0.128 0.000 1.138 431 D CA 0.292 54.248 54.000 -0.074 0.000 0.873 431 D CB 0.995 41.760 40.800 -0.058 0.000 1.183 431 D HN 0.475 nan 8.370 nan 0.000 0.458 432 K N 1.308 121.650 120.400 -0.097 0.000 2.063 432 K HA -0.148 4.171 4.320 -0.001 0.000 0.208 432 K C 1.023 177.545 176.600 -0.130 0.000 1.048 432 K CA 0.986 57.210 56.287 -0.105 0.000 0.928 432 K CB 0.111 32.578 32.500 -0.056 0.000 0.713 432 K HN 0.349 nan 8.250 nan 0.000 0.442 433 D N 0.749 121.088 120.400 -0.102 0.000 2.310 433 D HA -0.097 4.542 4.640 -0.001 0.000 0.212 433 D C 1.513 177.728 176.300 -0.141 0.000 0.965 433 D CA 1.036 54.980 54.000 -0.093 0.000 0.879 433 D CB 0.106 40.871 40.800 -0.058 0.000 0.921 433 D HN 0.227 nan 8.370 nan 0.000 0.510 434 K N -0.156 120.119 120.400 -0.208 0.000 2.076 434 K HA 0.107 4.426 4.320 -0.001 0.000 0.204 434 K C 2.006 178.224 176.600 -0.638 0.000 1.051 434 K CA 0.517 56.636 56.287 -0.281 0.000 0.949 434 K CB 0.018 32.382 32.500 -0.226 0.000 0.726 434 K HN 0.111 nan 8.250 nan 0.000 0.443 435 M N 0.799 119.901 119.600 -0.829 0.000 2.557 435 M HA -0.089 4.390 4.480 -0.001 0.000 0.259 435 M C 1.913 177.858 176.300 -0.592 0.000 1.086 435 M CA 0.825 55.462 55.300 -1.106 0.000 1.096 435 M CB 0.053 32.217 32.600 -0.726 0.000 1.424 435 M HN -0.001 nan 8.290 nan 0.000 0.488 436 Q N 0.804 120.414 119.800 -0.316 0.000 2.248 436 Q HA -0.158 4.182 4.340 -0.001 0.000 0.208 436 Q C 1.935 177.840 176.000 -0.159 0.000 0.984 436 Q CA 2.380 58.133 55.803 -0.083 0.000 0.875 436 Q CB -0.535 28.190 28.738 -0.022 0.000 0.910 436 Q HN 0.630 nan 8.270 nan 0.000 0.433 437 T N -2.501 111.882 114.554 -0.285 0.000 2.929 437 T HA -0.136 4.213 4.350 -0.001 0.000 0.271 437 T C 1.705 175.851 174.700 -0.923 0.000 1.085 437 T CA 1.258 63.137 62.100 -0.368 0.000 1.125 437 T CB -0.260 68.496 68.868 -0.186 0.000 0.874 437 T HN 0.273 nan 8.240 nan 0.000 0.494 438 M N 0.055 118.954 119.600 -1.168 0.000 2.149 438 M HA -0.061 4.418 4.480 -0.001 0.000 0.261 438 M C 1.919 177.752 176.300 -0.778 0.000 1.064 438 M CA 1.774 56.185 55.300 -1.482 0.000 1.102 438 M CB -0.676 31.315 32.600 -1.016 0.000 1.369 438 M HN 0.275 nan 8.290 nan 0.000 0.408 439 Y N -1.269 118.851 120.300 -0.300 0.000 2.352 439 Y HA -0.202 4.347 4.550 -0.002 0.000 0.292 439 Y C 2.591 178.448 175.900 -0.070 0.000 1.136 439 Y CA 1.237 59.261 58.100 -0.127 0.000 1.227 439 Y CB -1.070 37.331 38.460 -0.098 0.000 0.991 439 Y HN 0.362 nan 8.280 nan 0.000 0.545 440 H N -0.621 118.396 119.070 -0.089 0.000 2.357 440 H HA -0.176 4.380 4.556 -0.001 0.000 0.301 440 H C 1.457 176.820 175.328 0.058 0.000 1.082 440 H CA 1.908 57.948 56.048 -0.014 0.000 1.342 440 H CB -0.221 29.524 29.762 -0.028 0.000 1.389 440 H HN 0.302 nan 8.280 nan 0.000 0.511 441 W N 1.149 122.425 121.300 -0.039 0.000 2.355 441 W HA -0.114 4.546 4.660 -0.000 0.000 0.309 441 W C 2.708 179.249 176.519 0.037 0.000 1.206 441 W CA 0.212 57.409 57.345 -0.247 0.000 1.284 441 W CB -1.261 27.887 29.460 -0.520 0.000 1.145 441 W HN 0.187 nan 8.180 nan 0.000 0.502 442 I N 0.468 121.250 120.570 0.355 0.000 2.127 442 I HA -0.314 3.855 4.170 -0.001 0.000 0.241 442 I C 2.103 178.324 176.117 0.173 0.000 1.075 442 I CA 1.825 63.310 61.300 0.308 0.000 1.334 442 I CB -0.614 37.492 38.000 0.177 0.000 1.040 442 I HN -0.124 nan 8.210 nan 0.000 0.405 443 D N 0.514 120.957 120.400 0.071 0.000 2.162 443 D HA -0.096 4.543 4.640 -0.001 0.000 0.203 443 D C 2.116 178.379 176.300 -0.060 0.000 0.967 443 D CA 1.069 55.060 54.000 -0.014 0.000 0.840 443 D CB -0.065 40.709 40.800 -0.043 0.000 0.972 443 D HN 0.321 nan 8.370 nan 0.000 0.482 444 K N 0.079 120.420 120.400 -0.099 0.000 2.308 444 K HA 0.183 4.502 4.320 -0.001 0.000 0.197 444 K C 1.968 178.656 176.600 0.146 0.000 1.049 444 K CA 0.213 56.463 56.287 -0.062 0.000 0.991 444 K CB 0.675 33.008 32.500 -0.279 0.000 0.836 444 K HN -0.068 nan 8.250 nan 0.000 0.500 445 S N 0.265 116.019 115.700 0.090 0.000 2.452 445 S HA 0.117 4.586 4.470 -0.001 0.000 0.225 445 S C 1.634 176.123 174.600 -0.185 0.000 1.057 445 S CA 0.395 58.573 58.200 -0.038 0.000 0.949 445 S CB -0.077 63.042 63.200 -0.136 0.000 0.836 445 S HN 0.076 nan 8.310 nan 0.000 0.518 446 F N 2.093 122.087 119.950 0.073 0.000 2.188 446 F HA 0.314 4.840 4.527 -0.002 0.000 0.289 446 F C 2.628 178.412 175.800 -0.028 0.000 1.082 446 F CA 0.507 58.515 58.000 0.013 0.000 1.282 446 F CB -1.091 37.922 39.000 0.022 0.000 1.060 446 F HN 0.144 nan 8.300 nan 0.000 0.493 447 A N 0.822 123.729 122.820 0.145 0.000 1.903 447 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 447 A C -0.229 177.266 177.584 -0.148 0.000 1.191 447 A CA 2.152 54.174 52.037 -0.025 0.000 0.638 447 A CB -2.137 16.811 19.000 -0.087 0.000 0.823 447 A HN 0.250 nan 8.150 nan 0.000 0.451 448 P HA -0.072 nan 4.420 nan 0.000 0.220 448 P C 0.991 178.352 177.300 0.102 0.000 1.148 448 P CA 0.763 63.731 63.100 -0.219 0.000 0.803 448 P CB -0.097 31.602 31.700 -0.001 0.000 0.782 449 L N -1.917 119.353 121.223 0.078 0.000 2.599 449 L HA 0.077 4.417 4.340 -0.001 0.000 0.230 449 L C 0.616 177.437 176.870 -0.081 0.000 1.141 449 L CA 0.070 54.919 54.840 0.015 0.000 0.877 449 L CB -0.377 41.666 42.059 -0.026 0.000 1.009 449 L HN -0.038 nan 8.230 nan 0.000 0.447 450 L N 0.687 121.869 121.223 -0.069 0.000 2.276 450 L HA 0.417 4.757 4.340 -0.001 0.000 0.286 450 L C -0.809 175.960 176.870 -0.169 0.000 1.024 450 L CA -0.383 54.380 54.840 -0.128 0.000 0.826 450 L CB 1.834 43.843 42.059 -0.083 0.000 1.211 450 L HN -0.240 nan 8.230 nan 0.000 0.422 451 V N 3.421 123.174 119.914 -0.268 0.000 2.443 451 V HA 0.317 4.436 4.120 -0.001 0.000 0.293 451 V C 0.073 176.070 176.094 -0.162 0.000 1.021 451 V CA -0.802 61.334 62.300 -0.272 0.000 0.848 451 V CB 1.441 33.062 31.823 -0.337 0.000 0.998 451 V HN 0.852 nan 8.190 nan 0.000 0.424 452 N N 4.005 122.657 118.700 -0.080 0.000 2.727 452 N HA -0.221 4.518 4.740 -0.001 0.000 0.249 452 N C 1.196 176.780 175.510 0.124 0.000 1.048 452 N CA 1.531 54.618 53.050 0.062 0.000 0.714 452 N CB -0.914 37.670 38.487 0.163 0.000 0.959 452 N HN 1.572 nan 8.380 nan 0.000 0.544 453 G N -0.619 108.195 108.800 0.022 0.000 2.179 453 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.260 453 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.260 453 G C -0.204 174.598 174.900 -0.162 0.000 0.977 453 G CA 0.682 45.818 45.100 0.061 0.000 0.641 453 G HN 0.673 nan 8.290 nan 0.000 0.533 454 E N -0.213 119.748 120.200 -0.399 0.000 2.179 454 E HA 0.615 4.965 4.350 -0.001 0.000 0.275 454 E C -0.491 175.894 176.600 -0.358 0.000 0.945 454 E CA -1.106 54.928 56.400 -0.610 0.000 0.792 454 E CB 0.979 30.259 29.700 -0.701 0.000 1.125 454 E HN 0.198 nan 8.360 nan 0.000 0.397 455 L N 5.543 126.610 121.223 -0.259 0.000 2.260 455 L HA 0.310 4.649 4.340 -0.001 0.000 0.289 455 L C -0.294 176.456 176.870 -0.200 0.000 1.057 455 L CA 0.001 54.732 54.840 -0.183 0.000 0.811 455 L CB 0.708 42.703 42.059 -0.107 0.000 1.184 455 L HN 0.735 nan 8.230 nan 0.000 0.429 456 M N 4.549 123.993 119.600 -0.260 0.000 2.338 456 M HA -0.068 4.411 4.480 -0.001 0.000 0.360 456 M C 0.792 176.941 176.300 -0.253 0.000 1.547 456 M CA 0.168 55.295 55.300 -0.288 0.000 1.001 456 M CB 0.052 32.481 32.600 -0.284 0.000 2.008 456 M HN 0.584 nan 8.290 nan 0.000 0.464 457 D N 3.415 123.655 120.400 -0.266 0.000 2.228 457 D HA -0.186 4.453 4.640 -0.001 0.000 0.203 457 D C 1.874 178.044 176.300 -0.218 0.000 0.988 457 D CA 1.539 55.447 54.000 -0.154 0.000 0.864 457 D CB -0.126 40.772 40.800 0.164 0.000 0.928 457 D HN 0.738 nan 8.370 nan 0.000 0.469 458 M N -0.073 119.284 119.600 -0.404 0.000 2.539 458 M HA -0.043 4.436 4.480 -0.001 0.000 0.261 458 M C 1.543 177.739 176.300 -0.174 0.000 1.069 458 M CA 1.376 56.548 55.300 -0.213 0.000 1.081 458 M CB -0.093 32.383 32.600 -0.206 0.000 1.412 458 M HN -0.084 nan 8.290 nan 0.000 0.482 459 S N -0.200 115.388 115.700 -0.186 0.000 2.539 459 S HA 0.245 4.714 4.470 -0.001 0.000 0.221 459 S C 1.458 175.994 174.600 -0.107 0.000 0.987 459 S CA -0.728 57.376 58.200 -0.160 0.000 0.929 459 S CB -0.006 63.094 63.200 -0.166 0.000 0.832 459 S HN 0.642 nan 8.310 nan 0.000 0.492 460 R N 1.335 121.764 120.500 -0.118 0.000 2.359 460 R HA 0.346 4.685 4.340 -0.001 0.000 0.231 460 R C 1.640 177.913 176.300 -0.044 0.000 0.913 460 R CA 0.284 56.360 56.100 -0.040 0.000 1.075 460 R CB -0.239 30.021 30.300 -0.067 0.000 1.087 460 R HN 0.487 nan 8.270 nan 0.000 0.515 461 G N 3.058 111.672 108.800 -0.310 0.000 2.634 461 G HA2 -0.453 3.506 3.960 -0.001 0.000 0.309 461 G HA3 -0.453 3.506 3.960 -0.001 0.000 0.309 461 G C 0.714 175.517 174.900 -0.161 0.000 1.265 461 G CA 0.810 45.643 45.100 -0.444 0.000 0.998 461 G HN 0.525 nan 8.290 nan 0.000 0.551 462 R N 0.049 120.556 120.500 0.012 0.000 2.316 462 R HA 0.240 4.579 4.340 -0.001 0.000 0.202 462 R C 2.251 178.519 176.300 -0.053 0.000 1.029 462 R CA 1.774 57.868 56.100 -0.010 0.000 1.018 462 R CB -0.321 30.025 30.300 0.077 0.000 0.888 462 R HN 0.294 nan 8.270 nan 0.000 0.471 463 S N 1.850 117.527 115.700 -0.038 0.000 2.507 463 S HA -0.035 4.434 4.470 -0.001 0.000 0.235 463 S C 1.835 176.368 174.600 -0.113 0.000 0.988 463 S CA 1.123 59.272 58.200 -0.085 0.000 0.944 463 S CB -0.334 62.812 63.200 -0.089 0.000 0.762 463 S HN 0.583 nan 8.310 nan 0.000 0.526 464 I N 0.732 121.171 120.570 -0.219 0.000 2.756 464 I HA -0.044 4.125 4.170 -0.001 0.000 0.262 464 I C 1.707 177.715 176.117 -0.181 0.000 1.225 464 I CA 1.158 62.229 61.300 -0.382 0.000 1.472 464 I CB -0.528 36.853 38.000 -1.031 0.000 1.094 464 I HN 0.212 nan 8.210 nan 0.000 0.454 465 S N 0.529 116.192 115.700 -0.062 0.000 2.634 465 S HA 0.262 4.731 4.470 -0.001 0.000 0.221 465 S C 0.645 175.422 174.600 0.295 0.000 0.952 465 S CA -0.639 57.672 58.200 0.186 0.000 0.930 465 S CB -0.293 62.931 63.200 0.040 0.000 0.780 465 S HN 0.475 nan 8.310 nan 0.000 0.498 466 R N 0.635 121.183 120.500 0.080 0.000 2.265 466 R HA 0.606 4.945 4.340 -0.001 0.000 0.328 466 R C 1.082 177.033 176.300 -0.580 0.000 0.969 466 R CA 0.090 56.082 56.100 -0.179 0.000 0.832 466 R CB 1.151 31.353 30.300 -0.163 0.000 1.139 466 R HN 0.259 nan 8.270 nan 0.000 0.457 467 A N 3.118 125.221 122.820 -1.196 0.000 1.972 467 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 467 A C 1.517 178.691 177.584 -0.684 0.000 1.169 467 A CA 1.647 52.643 52.037 -1.734 0.000 0.635 467 A CB -0.318 17.557 19.000 -1.876 0.000 0.810 467 A HN 0.822 nan 8.150 nan 0.000 0.446 468 N N -0.814 117.629 118.700 -0.429 0.000 2.383 468 N HA 0.055 4.794 4.740 -0.001 0.000 0.192 468 N C -0.113 175.299 175.510 -0.164 0.000 1.141 468 N CA 0.853 53.766 53.050 -0.229 0.000 0.851 468 N CB -0.021 38.359 38.487 -0.178 0.000 0.976 468 N HN 0.122 nan 8.380 nan 0.000 0.465 469 S N 0.078 115.674 115.700 -0.173 0.000 2.740 469 S HA 0.181 4.650 4.470 -0.001 0.000 0.244 469 S C -0.212 174.367 174.600 -0.035 0.000 1.101 469 S CA -0.675 57.459 58.200 -0.109 0.000 1.123 469 S CB 0.653 63.780 63.200 -0.122 0.000 1.012 469 S HN 0.278 nan 8.310 nan 0.000 0.491 470 E N 0.572 120.784 120.200 0.020 0.000 2.410 470 E HA 0.224 4.573 4.350 -0.001 0.000 0.255 470 E C 1.618 178.274 176.600 0.093 0.000 1.194 470 E CA 0.027 56.526 56.400 0.166 0.000 0.955 470 E CB 0.323 30.188 29.700 0.276 0.000 0.988 470 E HN 0.360 nan 8.360 nan 0.000 0.461 471 G N 0.901 109.799 108.800 0.163 0.000 2.606 471 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.221 471 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.221 471 G C 1.111 175.949 174.900 -0.104 0.000 1.152 471 G CA 1.110 46.232 45.100 0.037 0.000 0.765 471 G HN 0.602 nan 8.290 nan 0.000 0.595 472 H N -0.428 118.601 119.070 -0.068 0.000 2.428 472 H HA 0.033 4.588 4.556 -0.001 0.000 0.296 472 H C 2.813 177.836 175.328 -0.509 0.000 1.062 472 H CA 1.122 57.044 56.048 -0.210 0.000 1.350 472 H CB 0.036 29.716 29.762 -0.137 0.000 1.403 472 H HN 0.282 nan 8.280 nan 0.000 0.533 473 V N 1.108 120.732 119.914 -0.482 0.000 2.323 473 V HA -0.182 3.937 4.120 -0.001 0.000 0.244 473 V C 2.859 178.857 176.094 -0.160 0.000 1.041 473 V CA 1.432 63.482 62.300 -0.417 0.000 1.025 473 V CB -0.929 30.734 31.823 -0.268 0.000 0.656 473 V HN 0.416 nan 8.190 nan 0.000 0.451 474 A N 0.256 123.000 122.820 -0.128 0.000 1.940 474 A HA -0.147 4.172 4.320 -0.001 0.000 0.219 474 A C 2.428 179.959 177.584 -0.089 0.000 1.176 474 A CA 2.110 54.089 52.037 -0.096 0.000 0.631 474 A CB -0.812 18.139 19.000 -0.081 0.000 0.814 474 A HN 0.585 nan 8.150 nan 0.000 0.446 475 A N -0.452 122.311 122.820 -0.096 0.000 1.940 475 A HA -0.052 4.267 4.320 -0.001 0.000 0.219 475 A C 2.164 179.711 177.584 -0.062 0.000 1.176 475 A CA 1.871 53.858 52.037 -0.083 0.000 0.631 475 A CB -0.923 18.020 19.000 -0.095 0.000 0.814 475 A HN 0.475 nan 8.150 nan 0.000 0.446 476 V N 0.132 120.028 119.914 -0.030 0.000 2.490 476 V HA -0.260 3.859 4.120 -0.001 0.000 0.250 476 V C 2.287 178.352 176.094 -0.049 0.000 1.061 476 V CA 2.068 64.363 62.300 -0.009 0.000 1.064 476 V CB -0.906 30.959 31.823 0.071 0.000 0.670 476 V HN 0.625 nan 8.190 nan 0.000 0.461 477 E N 0.082 120.242 120.200 -0.067 0.000 2.085 477 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 477 E C 2.273 178.794 176.600 -0.132 0.000 0.994 477 E CA 1.584 57.931 56.400 -0.089 0.000 0.801 477 E CB -0.193 29.448 29.700 -0.098 0.000 0.743 477 E HN 0.499 nan 8.360 nan 0.000 0.453 478 V N 1.381 121.196 119.914 -0.165 0.000 2.323 478 V HA -0.218 3.901 4.120 -0.001 0.000 0.244 478 V C 2.331 178.296 176.094 -0.215 0.000 1.041 478 V CA 1.279 63.408 62.300 -0.285 0.000 1.025 478 V CB -0.407 31.237 31.823 -0.298 0.000 0.656 478 V HN 0.229 nan 8.190 nan 0.000 0.451 479 L N 0.609 121.753 121.223 -0.132 0.000 2.042 479 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 479 L C 2.841 179.677 176.870 -0.056 0.000 1.076 479 L CA 2.149 56.931 54.840 -0.096 0.000 0.749 479 L CB -0.746 41.265 42.059 -0.080 0.000 0.893 479 L HN 0.435 nan 8.230 nan 0.000 0.432 480 R N 0.262 120.734 120.500 -0.047 0.000 2.148 480 R HA -0.064 4.275 4.340 -0.001 0.000 0.227 480 R C 2.135 178.431 176.300 -0.008 0.000 1.103 480 R CA 1.319 57.416 56.100 -0.005 0.000 0.983 480 R CB -0.947 29.337 30.300 -0.027 0.000 0.874 480 R HN 0.271 nan 8.270 nan 0.000 0.451 481 G N 1.966 110.731 108.800 -0.058 0.000 2.404 481 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.215 481 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.215 481 G C 1.550 176.433 174.900 -0.029 0.000 1.174 481 G CA 0.732 45.798 45.100 -0.057 0.000 0.780 481 G HN 0.220 nan 8.290 nan 0.000 0.537 482 I N -0.272 120.266 120.570 -0.053 0.000 2.226 482 I HA -0.203 3.966 4.170 -0.001 0.000 0.245 482 I C 2.454 178.619 176.117 0.079 0.000 1.100 482 I CA 1.345 62.639 61.300 -0.008 0.000 1.374 482 I CB -0.417 37.560 38.000 -0.039 0.000 1.057 482 I HN 0.290 nan 8.210 nan 0.000 0.413 483 H N 1.096 120.140 119.070 -0.044 0.000 2.387 483 H HA -0.125 4.430 4.556 -0.002 0.000 0.299 483 H C 2.495 177.812 175.328 -0.019 0.000 1.090 483 H CA 1.162 57.191 56.048 -0.032 0.000 1.332 483 H CB 0.245 29.978 29.762 -0.048 0.000 1.386 483 H HN 0.206 nan 8.280 nan 0.000 0.516 484 R N 0.058 120.581 120.500 0.037 0.000 2.092 484 R HA -0.093 4.246 4.340 -0.001 0.000 0.231 484 R C 2.430 178.741 176.300 0.017 0.000 1.119 484 R CA 1.378 57.462 56.100 -0.027 0.000 0.970 484 R CB -0.054 30.237 30.300 -0.014 0.000 0.864 484 R HN 0.384 nan 8.270 nan 0.000 0.440 485 I N 0.549 121.145 120.570 0.044 0.000 2.315 485 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 485 I C 2.551 178.728 176.117 0.100 0.000 1.117 485 I CA 1.056 62.388 61.300 0.054 0.000 1.404 485 I CB -0.366 37.647 38.000 0.022 0.000 1.071 485 I HN 0.202 nan 8.210 nan 0.000 0.419 486 A N 0.478 123.368 122.820 0.116 0.000 1.902 486 A HA -0.300 4.019 4.320 -0.001 0.000 0.217 486 A C 2.002 179.636 177.584 0.084 0.000 1.181 486 A CA 2.290 54.404 52.037 0.127 0.000 0.623 486 A CB -0.720 18.382 19.000 0.170 0.000 0.818 486 A HN 0.423 nan 8.150 nan 0.000 0.443 487 D N -0.018 120.408 120.400 0.043 0.000 2.178 487 D HA -0.168 4.471 4.640 -0.001 0.000 0.201 487 D C 1.977 178.285 176.300 0.013 0.000 0.980 487 D CA 1.742 55.738 54.000 -0.007 0.000 0.842 487 D CB -0.212 40.534 40.800 -0.089 0.000 0.948 487 D HN 0.622 nan 8.370 nan 0.000 0.472 488 M N -1.690 117.930 119.600 0.033 0.000 2.495 488 M HA 0.254 4.733 4.480 -0.001 0.000 0.237 488 M C 0.397 176.731 176.300 0.058 0.000 1.131 488 M CA -0.095 55.230 55.300 0.041 0.000 1.032 488 M CB 0.693 33.319 32.600 0.045 0.000 1.513 488 M HN -0.286 nan 8.290 nan 0.000 0.488 489 S N 1.588 117.333 115.700 0.074 0.000 2.694 489 S HA 0.453 4.922 4.470 -0.001 0.000 0.278 489 S C -0.168 174.450 174.600 0.029 0.000 1.152 489 S CA -0.824 57.422 58.200 0.078 0.000 1.010 489 S CB 0.994 64.262 63.200 0.113 0.000 1.104 489 S HN 0.561 nan 8.310 nan 0.000 0.547 490 E N -0.909 119.291 120.200 -0.001 0.000 2.393 490 E HA 0.622 4.971 4.350 -0.001 0.000 0.273 490 E C 0.379 176.960 176.600 -0.032 0.000 0.918 490 E CA -0.959 55.434 56.400 -0.012 0.000 0.773 490 E CB 1.014 30.707 29.700 -0.012 0.000 1.275 490 E HN 0.747 nan 8.360 nan 0.000 0.451 491 G N 2.151 110.937 108.800 -0.023 0.000 2.614 491 G HA2 -0.451 3.508 3.960 -0.001 0.000 0.303 491 G HA3 -0.451 3.508 3.960 -0.001 0.000 0.303 491 G C 0.864 175.742 174.900 -0.036 0.000 1.270 491 G CA 0.671 45.754 45.100 -0.029 0.000 0.988 491 G HN 0.747 nan 8.290 nan 0.000 0.551 492 E N 0.037 120.208 120.200 -0.047 0.000 2.118 492 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 492 E C 2.740 179.298 176.600 -0.071 0.000 0.992 492 E CA 2.343 58.711 56.400 -0.052 0.000 0.804 492 E CB -0.718 28.948 29.700 -0.056 0.000 0.741 492 E HN 0.561 nan 8.360 nan 0.000 0.458 493 T N 0.961 115.450 114.554 -0.108 0.000 2.708 493 T HA -0.162 4.187 4.350 -0.001 0.000 0.266 493 T C 1.925 176.580 174.700 -0.074 0.000 1.037 493 T CA 1.784 63.788 62.100 -0.160 0.000 1.146 493 T CB -0.166 68.524 68.868 -0.296 0.000 0.865 493 T HN 0.222 nan 8.240 nan 0.000 0.435 494 K N 0.562 120.940 120.400 -0.036 0.000 2.026 494 K HA -0.195 4.124 4.320 -0.001 0.000 0.208 494 K C 2.483 179.090 176.600 0.013 0.000 1.048 494 K CA 1.473 57.767 56.287 0.012 0.000 0.929 494 K CB -0.125 32.385 32.500 0.016 0.000 0.713 494 K HN 0.114 nan 8.250 nan 0.000 0.439 495 Q N 1.304 121.102 119.800 -0.005 0.000 2.030 495 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 495 Q C 2.059 178.055 176.000 -0.007 0.000 0.986 495 Q CA 2.338 58.139 55.803 -0.003 0.000 0.843 495 Q CB -0.216 28.515 28.738 -0.011 0.000 0.904 495 Q HN 0.478 nan 8.270 nan 0.000 0.420 496 R N -0.441 120.048 120.500 -0.017 0.000 2.092 496 R HA -0.080 4.259 4.340 -0.001 0.000 0.231 496 R C 2.131 178.426 176.300 -0.009 0.000 1.119 496 R CA 1.546 57.636 56.100 -0.017 0.000 0.970 496 R CB -0.675 29.608 30.300 -0.029 0.000 0.864 496 R HN 0.308 nan 8.270 nan 0.000 0.440 497 L N 0.806 122.033 121.223 0.006 0.000 2.093 497 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 497 L C 2.727 179.595 176.870 -0.002 0.000 1.085 497 L CA 1.370 56.224 54.840 0.024 0.000 0.755 497 L CB -0.453 41.650 42.059 0.074 0.000 0.904 497 L HN 0.338 nan 8.230 nan 0.000 0.435 498 Q N -0.538 119.264 119.800 0.004 0.000 2.084 498 Q HA -0.172 4.168 4.340 -0.001 0.000 0.202 498 Q C 2.435 178.396 176.000 -0.066 0.000 0.978 498 Q CA 1.788 57.572 55.803 -0.030 0.000 0.844 498 Q CB -0.070 28.677 28.738 0.016 0.000 0.898 498 Q HN 0.396 nan 8.270 nan 0.000 0.426 499 S N 0.958 116.637 115.700 -0.035 0.000 2.382 499 S HA -0.136 4.334 4.470 -0.001 0.000 0.228 499 S C 1.803 176.378 174.600 -0.042 0.000 1.027 499 S CA 0.831 59.011 58.200 -0.033 0.000 0.991 499 S CB -0.217 62.973 63.200 -0.017 0.000 0.823 499 S HN 0.242 nan 8.310 nan 0.000 0.469 500 L N 1.850 123.049 121.223 -0.041 0.000 2.017 500 L HA -0.033 4.306 4.340 -0.001 0.000 0.208 500 L C 2.170 178.998 176.870 -0.070 0.000 1.073 500 L CA 1.665 56.479 54.840 -0.044 0.000 0.745 500 L CB -0.754 41.286 42.059 -0.031 0.000 0.894 500 L HN 0.125 nan 8.230 nan 0.000 0.432 501 V N -0.075 119.775 119.914 -0.106 0.000 2.343 501 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 501 V C 2.649 178.652 176.094 -0.152 0.000 1.051 501 V CA 2.141 64.346 62.300 -0.159 0.000 1.036 501 V CB -0.775 30.871 31.823 -0.295 0.000 0.654 501 V HN 0.523 nan 8.190 nan 0.000 0.451 502 K N -0.337 119.977 120.400 -0.143 0.000 2.032 502 K HA -0.230 4.089 4.320 -0.001 0.000 0.209 502 K C 2.380 178.946 176.600 -0.057 0.000 1.048 502 K CA 2.072 58.298 56.287 -0.101 0.000 0.927 502 K CB -0.414 32.042 32.500 -0.075 0.000 0.712 502 K HN 0.451 nan 8.250 nan 0.000 0.441 503 T N 0.541 115.070 114.554 -0.042 0.000 2.821 503 T HA -0.048 4.301 4.350 -0.001 0.000 0.267 503 T C 1.807 176.496 174.700 -0.018 0.000 1.046 503 T CA 1.200 63.289 62.100 -0.018 0.000 1.139 503 T CB -0.124 68.740 68.868 -0.007 0.000 0.871 503 T HN 0.218 nan 8.240 nan 0.000 0.454 504 I N 0.571 121.119 120.570 -0.036 0.000 2.179 504 I HA -0.128 4.041 4.170 -0.001 0.000 0.242 504 I C 2.502 178.614 176.117 -0.010 0.000 1.088 504 I CA 0.959 62.240 61.300 -0.032 0.000 1.357 504 I CB -0.377 37.593 38.000 -0.051 0.000 1.051 504 I HN 0.130 nan 8.210 nan 0.000 0.409 505 V N 0.526 120.421 119.914 -0.032 0.000 2.343 505 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 505 V C 2.341 178.437 176.094 0.004 0.000 1.051 505 V CA 1.831 64.116 62.300 -0.026 0.000 1.036 505 V CB -0.729 31.042 31.823 -0.087 0.000 0.654 505 V HN 0.495 nan 8.190 nan 0.000 0.451 506 Q N 0.174 119.975 119.800 0.001 0.000 2.369 506 Q HA -0.109 4.230 4.340 -0.001 0.000 0.206 506 Q C 2.287 178.312 176.000 0.043 0.000 0.963 506 Q CA 1.492 57.307 55.803 0.021 0.000 0.894 506 Q CB -0.183 28.564 28.738 0.015 0.000 0.965 506 Q HN 0.806 nan 8.270 nan 0.000 0.475 507 S N -0.175 115.554 115.700 0.048 0.000 2.527 507 S HA -0.044 4.425 4.470 -0.001 0.000 0.222 507 S C 0.588 175.253 174.600 0.108 0.000 0.985 507 S CA -0.005 58.238 58.200 0.071 0.000 0.921 507 S CB 0.212 63.446 63.200 0.057 0.000 0.772 507 S HN 0.083 nan 8.310 nan 0.000 0.529 508 D N 2.699 123.170 120.400 0.119 0.000 2.441 508 D HA 0.272 4.911 4.640 -0.001 0.000 0.221 508 D C 0.790 177.175 176.300 0.141 0.000 1.156 508 D CA -0.019 54.092 54.000 0.185 0.000 0.896 508 D CB 1.149 42.092 40.800 0.238 0.000 1.028 508 D HN 0.370 nan 8.370 nan 0.000 0.509 509 S N 2.712 118.501 115.700 0.147 0.000 2.575 509 S HA -0.066 4.404 4.470 -0.001 0.000 0.215 509 S C 1.368 176.045 174.600 0.127 0.000 0.966 509 S CA -0.265 58.001 58.200 0.111 0.000 0.911 509 S CB -0.152 63.110 63.200 0.104 0.000 0.780 509 S HN 0.566 nan 8.310 nan 0.000 0.514 510 Y N 1.059 121.354 120.300 -0.008 0.000 2.464 510 Y HA 0.411 4.961 4.550 -0.002 0.000 0.288 510 Y C 0.165 176.046 175.900 -0.032 0.000 1.133 510 Y CA -0.505 57.555 58.100 -0.067 0.000 1.223 510 Y CB 0.123 38.465 38.460 -0.198 0.000 1.187 510 Y HN 0.292 nan 8.280 nan 0.000 0.539 511 Y N 1.993 122.068 120.300 -0.375 0.000 2.377 511 Y HA 0.368 4.917 4.550 -0.002 0.000 0.339 511 Y C -0.896 174.924 175.900 -0.135 0.000 1.011 511 Y CA -1.889 55.989 58.100 -0.370 0.000 1.093 511 Y CB 0.782 39.122 38.460 -0.200 0.000 1.201 511 Y HN 0.065 nan 8.280 nan 0.000 0.455 512 D N 5.052 125.013 120.400 -0.732 0.000 2.352 512 D HA 0.015 4.654 4.640 -0.001 0.000 0.245 512 D C 0.962 176.870 176.300 -0.653 0.000 1.224 512 D CA 0.286 53.994 54.000 -0.486 0.000 0.879 512 D CB 1.335 41.938 40.800 -0.329 0.000 1.057 512 D HN 0.582 nan 8.370 nan 0.000 0.491 513 V N 5.132 124.840 119.914 -0.344 0.000 2.370 513 V HA -0.281 3.838 4.120 -0.001 0.000 0.252 513 V C 1.679 177.584 176.094 -0.315 0.000 1.068 513 V CA 1.774 63.907 62.300 -0.279 0.000 1.061 513 V CB -0.667 30.959 31.823 -0.328 0.000 0.656 513 V HN 0.563 nan 8.190 nan 0.000 0.455 514 F N 0.499 120.369 119.950 -0.135 0.000 2.333 514 F HA -0.073 4.453 4.527 -0.001 0.000 0.300 514 F C 2.271 178.014 175.800 -0.095 0.000 1.083 514 F CA 1.458 59.407 58.000 -0.085 0.000 1.395 514 F CB -0.507 38.450 39.000 -0.072 0.000 1.056 514 F HN 0.160 nan 8.300 nan 0.000 0.529 515 K N -0.436 119.928 120.400 -0.059 0.000 2.360 515 K HA -0.157 4.162 4.320 -0.001 0.000 0.201 515 K C 0.828 177.469 176.600 0.069 0.000 1.046 515 K CA 1.021 57.281 56.287 -0.045 0.000 0.945 515 K CB -0.206 32.171 32.500 -0.205 0.000 0.750 515 K HN 0.091 nan 8.250 nan 0.000 0.464 516 N N 0.358 119.112 118.700 0.090 0.000 2.365 516 N HA 0.143 4.882 4.740 -0.001 0.000 0.257 516 N C -1.371 174.159 175.510 0.033 0.000 1.287 516 N CA -0.068 53.039 53.050 0.095 0.000 0.882 516 N CB 0.532 39.117 38.487 0.164 0.000 1.250 516 N HN -0.055 nan 8.380 nan 0.000 0.507 517 L N 1.316 122.557 121.223 0.030 0.000 2.301 517 L HA 0.424 4.763 4.340 -0.001 0.000 0.278 517 L C 0.454 177.333 176.870 0.016 0.000 1.022 517 L CA -0.503 54.348 54.840 0.018 0.000 0.854 517 L CB 1.211 43.297 42.059 0.046 0.000 1.226 517 L HN -0.161 nan 8.230 nan 0.000 0.429 518 K N 1.579 121.957 120.400 -0.036 0.000 2.500 518 K HA 0.207 4.526 4.320 -0.001 0.000 0.206 518 K C 0.355 176.853 176.600 -0.171 0.000 1.034 518 K CA -0.020 56.217 56.287 -0.083 0.000 1.179 518 K CB 0.360 32.813 32.500 -0.078 0.000 0.884 518 K HN 0.620 nan 8.250 nan 0.000 0.493 519 T N -3.837 110.612 114.554 -0.174 0.000 2.900 519 T HA 0.364 4.713 4.350 -0.001 0.000 0.303 519 T C 0.596 175.183 174.700 -0.189 0.000 1.142 519 T CA -0.710 61.226 62.100 -0.273 0.000 1.007 519 T CB 0.733 69.498 68.868 -0.172 0.000 1.156 519 T HN -0.074 nan 8.240 nan 0.000 0.490 520 Y N 0.751 121.111 120.300 0.101 0.000 2.293 520 Y HA 0.100 4.649 4.550 -0.002 0.000 0.291 520 Y C 2.567 178.498 175.900 0.052 0.000 1.137 520 Y CA 1.057 59.237 58.100 0.134 0.000 1.202 520 Y CB -0.503 38.101 38.460 0.240 0.000 0.990 520 Y HN 0.614 nan 8.280 nan 0.000 0.537 521 K N 0.663 121.128 120.400 0.108 0.000 2.097 521 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 521 K C 1.396 177.920 176.600 -0.126 0.000 1.050 521 K CA 1.710 57.889 56.287 -0.179 0.000 0.938 521 K CB -0.381 31.979 32.500 -0.234 0.000 0.718 521 K HN 0.169 nan 8.250 nan 0.000 0.442 522 D N 0.149 120.515 120.400 -0.056 0.000 2.144 522 D HA -0.107 4.532 4.640 -0.001 0.000 0.200 522 D C 1.949 178.274 176.300 0.042 0.000 0.978 522 D CA 1.172 55.148 54.000 -0.040 0.000 0.833 522 D CB -0.007 40.773 40.800 -0.033 0.000 0.961 522 D HN 0.273 nan 8.370 nan 0.000 0.470 523 I N 0.528 121.170 120.570 0.120 0.000 2.202 523 I HA -0.243 3.926 4.170 -0.001 0.000 0.242 523 I C 2.604 178.857 176.117 0.226 0.000 1.091 523 I CA 0.742 62.207 61.300 0.275 0.000 1.368 523 I CB -0.226 37.942 38.000 0.281 0.000 1.058 523 I HN -0.066 nan 8.210 nan 0.000 0.410 524 S N 1.108 116.865 115.700 0.095 0.000 2.359 524 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 524 S C 2.105 176.712 174.600 0.011 0.000 1.035 524 S CA 1.392 59.607 58.200 0.025 0.000 1.018 524 S CB -0.358 62.796 63.200 -0.077 0.000 0.876 524 S HN 0.305 nan 8.310 nan 0.000 0.448 525 L N 0.326 121.513 121.223 -0.061 0.000 2.012 525 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 525 L C 2.733 179.702 176.870 0.165 0.000 1.073 525 L CA 1.800 56.563 54.840 -0.128 0.000 0.748 525 L CB -0.466 41.323 42.059 -0.450 0.000 0.891 525 L HN 0.417 nan 8.230 nan 0.000 0.431 526 M N -0.375 119.362 119.600 0.228 0.000 2.175 526 M HA -0.209 4.270 4.480 -0.001 0.000 0.264 526 M C 2.208 178.646 176.300 0.230 0.000 1.063 526 M CA 1.794 57.240 55.300 0.244 0.000 1.119 526 M CB -0.321 32.280 32.600 0.002 0.000 1.377 526 M HN 0.138 nan 8.290 nan 0.000 0.415 527 Q N -0.791 119.178 119.800 0.283 0.000 2.084 527 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 527 Q C 2.118 178.195 176.000 0.129 0.000 0.978 527 Q CA 2.115 58.057 55.803 0.232 0.000 0.844 527 Q CB -0.370 28.458 28.738 0.150 0.000 0.898 527 Q HN 0.763 nan 8.270 nan 0.000 0.426 528 S N 1.049 116.811 115.700 0.103 0.000 2.368 528 S HA -0.166 4.303 4.470 -0.001 0.000 0.225 528 S C 1.945 176.594 174.600 0.082 0.000 1.030 528 S CA 0.944 59.186 58.200 0.070 0.000 0.999 528 S CB -0.608 62.619 63.200 0.045 0.000 0.844 528 S HN 0.439 nan 8.310 nan 0.000 0.459 529 L N 0.967 122.265 121.223 0.124 0.000 1.989 529 L HA -0.017 4.322 4.340 -0.001 0.000 0.211 529 L C 2.449 179.341 176.870 0.037 0.000 1.071 529 L CA 1.609 56.501 54.840 0.087 0.000 0.749 529 L CB -0.401 41.693 42.059 0.058 0.000 0.890 529 L HN 0.331 nan 8.230 nan 0.000 0.431 530 L N -0.116 121.136 121.223 0.048 0.000 2.191 530 L HA -0.145 4.194 4.340 -0.001 0.000 0.212 530 L C 2.550 179.445 176.870 0.041 0.000 1.103 530 L CA 1.355 56.219 54.840 0.040 0.000 0.769 530 L CB -0.505 41.599 42.059 0.074 0.000 0.908 530 L HN 0.498 nan 8.230 nan 0.000 0.438 531 S N -2.922 112.806 115.700 0.047 0.000 2.535 531 S HA -0.003 4.466 4.470 -0.001 0.000 0.214 531 S C 0.685 175.300 174.600 0.025 0.000 0.980 531 S CA -0.409 57.810 58.200 0.033 0.000 0.907 531 S CB -0.126 63.093 63.200 0.031 0.000 0.790 531 S HN 0.216 nan 8.310 nan 0.000 0.510 532 D N 2.242 122.658 120.400 0.027 0.000 2.374 532 D HA 0.500 5.139 4.640 -0.001 0.000 0.240 532 D C 1.112 177.421 176.300 0.015 0.000 1.229 532 D CA 0.041 54.054 54.000 0.021 0.000 0.895 532 D CB 1.140 41.955 40.800 0.026 0.000 1.046 532 D HN 0.217 nan 8.370 nan 0.000 0.498 533 A N 3.252 126.080 122.820 0.012 0.000 2.125 533 A HA -0.023 4.296 4.320 -0.001 0.000 0.219 533 A C 1.999 179.588 177.584 0.008 0.000 1.156 533 A CA 1.379 53.422 52.037 0.010 0.000 0.671 533 A CB -0.320 18.686 19.000 0.009 0.000 0.794 533 A HN 0.603 nan 8.150 nan 0.000 0.459 534 G N -1.007 107.798 108.800 0.009 0.000 2.534 534 G HA2 0.224 4.183 3.960 -0.001 0.000 0.217 534 G HA3 0.224 4.183 3.960 -0.001 0.000 0.217 534 G C 0.424 175.327 174.900 0.006 0.000 1.128 534 G CA 0.677 45.781 45.100 0.007 0.000 0.784 534 G HN 0.275 nan 8.290 nan 0.000 0.542 535 V N 1.662 121.580 119.914 0.007 0.000 2.364 535 V HA 0.602 4.721 4.120 -0.001 0.000 0.272 535 V C 0.677 176.771 176.094 0.000 0.000 1.036 535 V CA -1.143 61.159 62.300 0.003 0.000 0.880 535 V CB 0.669 32.494 31.823 0.004 0.000 0.991 535 V HN 0.372 nan 8.190 nan 0.000 0.460 536 A N 4.096 126.915 122.820 -0.001 0.000 2.462 536 A HA 0.494 4.813 4.320 -0.001 0.000 0.243 536 A C 0.555 178.138 177.584 -0.002 0.000 1.076 536 A CA 0.099 52.137 52.037 0.001 0.000 0.773 536 A CB 0.500 19.501 19.000 0.002 0.000 1.010 536 A HN 0.857 nan 8.150 nan 0.000 0.493 537 S N 2.143 117.844 115.700 0.003 0.000 2.395 537 S HA 0.503 4.972 4.470 -0.001 0.000 0.207 537 S C -0.978 173.630 174.600 0.013 0.000 1.454 537 S CA -0.461 57.740 58.200 0.003 0.000 1.211 537 S CB -0.110 63.091 63.200 0.002 0.000 1.093 537 S HN 0.661 nan 8.310 nan 0.000 0.472 538 V N 5.912 125.835 119.914 0.016 0.000 2.555 538 V HA 0.523 4.642 4.120 -0.001 0.000 0.302 538 V C -2.272 173.844 176.094 0.038 0.000 1.038 538 V CA -2.167 60.149 62.300 0.026 0.000 0.887 538 V CB 1.720 33.558 31.823 0.025 0.000 0.991 538 V HN 0.592 nan 8.190 nan 0.000 0.434 539 P HA 0.112 nan 4.420 nan 0.000 0.262 539 P C -0.238 177.120 177.300 0.095 0.000 1.182 539 P CA 0.095 63.241 63.100 0.076 0.000 0.761 539 P CB 0.343 32.097 31.700 0.089 0.000 0.795 540 R N 1.219 121.784 120.500 0.109 0.000 2.679 540 R HA 0.221 4.560 4.340 -0.001 0.000 0.268 540 R C 1.095 177.541 176.300 0.242 0.000 1.044 540 R CA 0.179 56.364 56.100 0.142 0.000 1.105 540 R CB 0.088 30.452 30.300 0.106 0.000 0.989 540 R HN 0.408 nan 8.270 nan 0.000 0.447 541 T N 0.546 115.226 114.554 0.210 0.000 2.788 541 T HA 0.121 4.470 4.350 -0.001 0.000 0.280 541 T C 0.152 175.013 174.700 0.268 0.000 0.984 541 T CA -0.466 61.745 62.100 0.186 0.000 0.972 541 T CB 0.661 69.599 68.868 0.115 0.000 1.039 541 T HN 0.518 nan 8.240 nan 0.000 0.530 542 S N 1.536 117.290 115.700 0.091 0.000 2.572 542 S HA 0.452 4.921 4.470 -0.001 0.000 0.279 542 S C -0.980 173.686 174.600 0.111 0.000 1.341 542 S CA -0.176 58.001 58.200 -0.038 0.000 1.043 542 S CB -0.122 62.982 63.200 -0.159 0.000 0.887 542 S HN 0.650 nan 8.310 nan 0.000 0.516 543 Y N -0.431 119.909 120.300 0.067 0.000 2.656 543 Y HA 0.761 5.310 4.550 -0.001 0.000 0.334 543 Y C -1.593 174.322 175.900 0.025 0.000 1.179 543 Y CA -1.536 56.588 58.100 0.041 0.000 1.050 543 Y CB 1.097 39.590 38.460 0.054 0.000 1.308 543 Y HN 0.519 nan 8.280 nan 0.000 0.456 544 L N 2.232 123.593 121.223 0.230 0.000 2.528 544 L HA 0.649 4.989 4.340 -0.001 0.000 0.267 544 L C -1.493 175.392 176.870 0.026 0.000 0.961 544 L CA -0.311 54.597 54.840 0.112 0.000 0.866 544 L CB 1.976 44.051 42.059 0.027 0.000 1.248 544 L HN 0.830 nan 8.230 nan 0.000 0.404 545 S N 3.427 119.084 115.700 -0.071 0.000 2.456 545 S HA 0.679 5.148 4.470 -0.001 0.000 0.316 545 S C -0.011 174.249 174.600 -0.566 0.000 1.089 545 S CA -0.452 57.486 58.200 -0.437 0.000 1.101 545 S CB 1.657 64.368 63.200 -0.815 0.000 0.995 545 S HN 0.660 nan 8.310 nan 0.000 0.468 546 A N 3.373 125.922 122.820 -0.452 0.000 2.621 546 A HA 0.557 4.877 4.320 -0.001 0.000 0.329 546 A C -0.522 176.877 177.584 -0.309 0.000 1.458 546 A CA -0.491 51.352 52.037 -0.323 0.000 1.052 546 A CB -0.630 18.217 19.000 -0.255 0.000 1.142 546 A HN 0.688 nan 8.150 nan 0.000 0.523 547 F N 2.280 122.196 119.950 -0.057 0.000 2.661 547 F HA 0.131 4.657 4.527 -0.002 0.000 0.356 547 F C 1.356 177.101 175.800 -0.090 0.000 1.244 547 F CA -0.606 57.358 58.000 -0.060 0.000 1.290 547 F CB -0.369 38.604 39.000 -0.045 0.000 1.677 547 F HN 0.559 nan 8.300 nan 0.000 0.649 548 N N 0.977 119.683 118.700 0.009 0.000 2.223 548 N HA -0.143 4.596 4.740 -0.001 0.000 0.185 548 N C 1.747 177.244 175.510 -0.020 0.000 1.016 548 N CA 0.895 53.930 53.050 -0.025 0.000 0.863 548 N CB 0.140 38.556 38.487 -0.119 0.000 0.983 548 N HN 0.258 nan 8.380 nan 0.000 0.429 549 K N 0.836 121.188 120.400 -0.080 0.000 2.504 549 K HA 0.005 4.324 4.320 -0.001 0.000 0.195 549 K C 1.536 177.947 176.600 -0.315 0.000 1.036 549 K CA 0.414 56.529 56.287 -0.286 0.000 0.984 549 K CB -0.066 32.054 32.500 -0.634 0.000 0.788 549 K HN 0.500 nan 8.250 nan 0.000 0.488 550 M N -2.291 117.224 119.600 -0.142 0.000 2.414 550 M HA 0.258 4.737 4.480 -0.001 0.000 0.393 550 M C -1.111 175.182 176.300 -0.012 0.000 1.055 550 M CA -0.126 55.109 55.300 -0.109 0.000 0.937 550 M CB 0.707 33.219 32.600 -0.147 0.000 1.631 550 M HN -0.222 nan 8.290 nan 0.000 0.567 551 D N 2.113 122.525 120.400 0.020 0.000 2.708 551 D HA -0.109 4.530 4.640 -0.001 0.000 0.236 551 D C -0.735 175.601 176.300 0.060 0.000 1.146 551 D CA 1.054 55.085 54.000 0.051 0.000 0.662 551 D CB -0.513 40.335 40.800 0.080 0.000 1.059 551 D HN 0.494 nan 8.370 nan 0.000 0.428 552 K N -0.208 120.248 120.400 0.092 0.000 2.385 552 K HA 0.683 5.002 4.320 -0.001 0.000 0.248 552 K C 0.093 176.793 176.600 0.166 0.000 0.955 552 K CA -0.495 55.858 56.287 0.110 0.000 0.816 552 K CB 2.215 34.783 32.500 0.112 0.000 1.250 552 K HN -0.124 nan 8.250 nan 0.000 0.434 553 T N 0.429 115.040 114.554 0.096 0.000 2.921 553 T HA 0.637 4.986 4.350 -0.001 0.000 0.297 553 T C -1.257 173.502 174.700 0.097 0.000 1.013 553 T CA -0.698 61.434 62.100 0.053 0.000 0.990 553 T CB 1.774 70.644 68.868 0.002 0.000 1.023 553 T HN 0.591 nan 8.240 nan 0.000 0.447 554 A N 3.766 126.651 122.820 0.108 0.000 2.330 554 A HA 0.873 5.192 4.320 -0.001 0.000 0.313 554 A C -0.598 177.112 177.584 0.210 0.000 1.124 554 A CA -0.762 51.396 52.037 0.203 0.000 0.774 554 A CB 1.176 20.369 19.000 0.322 0.000 1.198 554 A HN 0.865 nan 8.150 nan 0.000 0.465 555 M N 3.006 122.749 119.600 0.239 0.000 2.464 555 M HA 0.705 5.184 4.480 -0.001 0.000 0.308 555 M C -2.301 173.987 176.300 -0.020 0.000 1.127 555 M CA -0.672 54.701 55.300 0.121 0.000 0.913 555 M CB 2.044 34.793 32.600 0.249 0.000 1.689 555 M HN 0.791 nan 8.290 nan 0.000 0.445 556 Y N 4.081 124.043 120.300 -0.564 0.000 2.396 556 Y HA 0.454 5.003 4.550 -0.001 0.000 0.332 556 Y C -1.670 173.864 175.900 -0.610 0.000 1.034 556 Y CA -0.942 56.749 58.100 -0.681 0.000 1.057 556 Y CB 1.389 39.170 38.460 -1.133 0.000 1.220 556 Y HN 0.769 nan 8.280 nan 0.000 0.440 557 N N 4.399 122.236 118.700 -1.438 0.000 2.476 557 N HA 0.397 5.136 4.740 -0.001 0.000 0.257 557 N C 0.006 174.763 175.510 -1.256 0.000 0.970 557 N CA 0.492 52.846 53.050 -1.159 0.000 0.938 557 N CB 1.916 39.697 38.487 -1.176 0.000 1.144 557 N HN 0.892 nan 8.380 nan 0.000 0.500 558 A N 3.306 125.617 122.820 -0.848 0.000 2.016 558 A HA -0.063 4.257 4.320 -0.001 0.000 0.217 558 A C 1.788 179.250 177.584 -0.204 0.000 1.162 558 A CA 0.922 52.702 52.037 -0.428 0.000 0.662 558 A CB -0.292 18.666 19.000 -0.070 0.000 0.812 558 A HN 0.827 nan 8.150 nan 0.000 0.450 559 E N -0.284 119.799 120.200 -0.196 0.000 2.047 559 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 559 E C 1.577 178.145 176.600 -0.053 0.000 0.987 559 E CA 1.054 57.401 56.400 -0.090 0.000 0.799 559 E CB -0.002 29.654 29.700 -0.074 0.000 0.752 559 E HN 0.279 nan 8.360 nan 0.000 0.449 560 K N -0.764 119.590 120.400 -0.076 0.000 2.323 560 K HA 0.072 4.391 4.320 -0.001 0.000 0.197 560 K C 0.748 177.397 176.600 0.081 0.000 1.043 560 K CA 0.841 57.160 56.287 0.053 0.000 0.997 560 K CB 0.877 33.501 32.500 0.206 0.000 0.807 560 K HN 0.303 nan 8.250 nan 0.000 0.497 561 G N 2.475 111.229 108.800 -0.077 0.000 2.303 561 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.260 561 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.260 561 G C -0.256 174.760 174.900 0.194 0.000 1.106 561 G CA 0.368 45.488 45.100 0.033 0.000 0.900 561 G HN 0.277 nan 8.290 nan 0.000 0.495 562 F N -1.212 118.744 119.950 0.011 0.000 2.613 562 F HA 0.882 5.408 4.527 -0.001 0.000 0.310 562 F C 0.180 176.123 175.800 0.237 0.000 1.085 562 F CA -1.349 56.750 58.000 0.166 0.000 0.945 562 F CB 1.124 40.198 39.000 0.124 0.000 1.298 562 F HN 0.455 nan 8.300 nan 0.000 0.455 563 G N 0.989 110.165 108.800 0.626 0.000 2.473 563 G HA2 0.659 4.618 3.960 -0.001 0.000 0.321 563 G HA3 0.659 4.618 3.960 -0.001 0.000 0.321 563 G C -2.537 172.849 174.900 0.810 0.000 1.200 563 G CA -0.907 44.555 45.100 0.604 0.000 0.963 563 G HN 0.860 nan 8.290 nan 0.000 0.483 564 F N 0.654 120.900 119.950 0.493 0.000 2.574 564 F HA 0.684 5.210 4.527 -0.002 0.000 0.313 564 F C -0.045 175.987 175.800 0.386 0.000 1.130 564 F CA -0.782 57.500 58.000 0.469 0.000 0.936 564 F CB 2.163 41.417 39.000 0.424 0.000 1.219 564 F HN 0.742 nan 8.300 nan 0.000 0.445 565 G N 5.534 114.165 108.800 -0.283 0.000 2.530 565 G HA2 0.579 4.538 3.960 -0.001 0.000 0.316 565 G HA3 0.579 4.538 3.960 -0.001 0.000 0.316 565 G C -2.508 172.101 174.900 -0.486 0.000 1.298 565 G CA -0.719 44.249 45.100 -0.219 0.000 0.948 565 G HN 0.687 nan 8.290 nan 0.000 0.486 566 L N 2.257 123.269 121.223 -0.351 0.000 2.319 566 L HA 0.702 5.042 4.340 -0.001 0.000 0.281 566 L C 0.062 176.847 176.870 -0.142 0.000 1.005 566 L CA -0.630 54.006 54.840 -0.340 0.000 0.828 566 L CB 1.950 43.765 42.059 -0.406 0.000 1.227 566 L HN 0.383 nan 8.230 nan 0.000 0.415 567 S N 6.087 121.767 115.700 -0.035 0.000 2.448 567 S HA 0.756 5.225 4.470 -0.001 0.000 0.320 567 S C -0.497 174.160 174.600 0.095 0.000 1.071 567 S CA -0.551 57.690 58.200 0.068 0.000 1.113 567 S CB -0.119 63.202 63.200 0.202 0.000 0.972 567 S HN 0.600 nan 8.310 nan 0.000 0.465 568 L N 3.883 125.173 121.223 0.112 0.000 2.211 568 L HA 0.854 5.193 4.340 -0.001 0.000 0.259 568 L C -0.704 176.393 176.870 0.379 0.000 1.031 568 L CA -1.282 53.696 54.840 0.230 0.000 0.877 568 L CB 1.424 43.545 42.059 0.105 0.000 1.457 568 L HN 0.705 nan 8.230 nan 0.000 0.466 569 F N -1.172 118.867 119.950 0.148 0.000 2.741 569 F HA 0.820 5.346 4.527 -0.002 0.000 0.313 569 F C -0.641 175.252 175.800 0.155 0.000 1.153 569 F CA -0.636 57.444 58.000 0.133 0.000 0.931 569 F CB 1.233 40.327 39.000 0.155 0.000 1.335 569 F HN 0.565 nan 8.300 nan 0.000 0.460 570 S N -0.583 115.134 115.700 0.029 0.000 2.843 570 S HA 0.407 4.876 4.470 -0.001 0.000 0.301 570 S C 0.305 174.924 174.600 0.032 0.000 1.206 570 S CA -0.066 58.078 58.200 -0.092 0.000 0.875 570 S CB 0.575 63.770 63.200 -0.008 0.000 1.248 570 S HN 1.502 nan 8.310 nan 0.000 0.555 571 S N 0.328 116.045 115.700 0.028 0.000 2.474 571 S HA -0.022 4.447 4.470 -0.001 0.000 0.235 571 S C 1.367 176.014 174.600 0.079 0.000 0.997 571 S CA 0.604 58.843 58.200 0.065 0.000 0.949 571 S CB -0.622 62.607 63.200 0.047 0.000 0.766 571 S HN 0.666 nan 8.310 nan 0.000 0.517 572 R N 1.307 121.849 120.500 0.071 0.000 2.280 572 R HA 0.165 4.504 4.340 -0.001 0.000 0.195 572 R C 0.279 176.622 176.300 0.071 0.000 0.935 572 R CA 0.931 57.067 56.100 0.059 0.000 1.033 572 R CB 0.229 30.549 30.300 0.034 0.000 0.964 572 R HN 0.638 nan 8.270 nan 0.000 0.489 573 T N -2.070 112.560 114.554 0.128 0.000 2.903 573 T HA 0.415 4.764 4.350 -0.001 0.000 0.299 573 T C -0.764 174.075 174.700 0.232 0.000 1.093 573 T CA -0.947 61.236 62.100 0.140 0.000 1.002 573 T CB 1.913 70.857 68.868 0.126 0.000 1.127 573 T HN -0.130 nan 8.240 nan 0.000 0.488 574 L N 2.994 124.286 121.223 0.115 0.000 2.371 574 L HA 0.351 4.691 4.340 -0.001 0.000 0.272 574 L C 1.466 178.301 176.870 -0.060 0.000 1.124 574 L CA -0.212 54.658 54.840 0.050 0.000 0.816 574 L CB 0.628 42.668 42.059 -0.033 0.000 1.129 574 L HN 0.887 nan 8.230 nan 0.000 0.448 575 N N 2.613 121.101 118.700 -0.354 0.000 2.080 575 N HA -0.109 4.630 4.740 -0.001 0.000 0.189 575 N C -0.446 174.982 175.510 -0.137 0.000 1.036 575 N CA 1.641 54.285 53.050 -0.676 0.000 0.846 575 N CB -0.471 37.198 38.487 -1.363 0.000 1.015 575 N HN 0.581 nan 8.380 nan 0.000 0.423 576 Y N -2.475 117.681 120.300 -0.239 0.000 2.597 576 Y HA 0.628 5.178 4.550 -0.001 0.000 0.340 576 Y C -1.251 174.583 175.900 -0.110 0.000 1.097 576 Y CA -1.890 56.106 58.100 -0.174 0.000 1.037 576 Y CB 0.877 39.233 38.460 -0.173 0.000 1.305 576 Y HN 0.067 nan 8.280 nan 0.000 0.463 577 E N 2.535 122.610 120.200 -0.209 0.000 2.133 577 E HA 0.232 4.581 4.350 -0.001 0.000 0.274 577 E C -1.723 174.827 176.600 -0.083 0.000 0.930 577 E CA -0.709 55.568 56.400 -0.204 0.000 0.770 577 E CB 0.714 30.402 29.700 -0.019 0.000 1.104 577 E HN 0.886 nan 8.360 nan 0.000 0.403 578 H N 7.058 125.962 119.070 -0.277 0.000 2.762 578 H HA 0.428 4.983 4.556 -0.001 0.000 0.310 578 H C -1.000 174.278 175.328 -0.084 0.000 1.004 578 H CA -0.825 55.150 56.048 -0.122 0.000 1.267 578 H CB 0.649 30.364 29.762 -0.077 0.000 1.437 578 H HN 0.639 nan 8.280 nan 0.000 0.498 579 M N 3.241 122.783 119.600 -0.097 0.000 2.578 579 M HA 0.337 4.817 4.480 -0.001 0.000 0.276 579 M C -1.032 175.228 176.300 -0.068 0.000 1.245 579 M CA -0.813 54.379 55.300 -0.181 0.000 0.871 579 M CB 1.956 34.493 32.600 -0.104 0.000 1.722 579 M HN 0.499 nan 8.290 nan 0.000 0.473 580 N N 1.314 119.966 118.700 -0.079 0.000 2.725 580 N HA -0.185 4.554 4.740 -0.001 0.000 0.249 580 N C -0.887 174.625 175.510 0.002 0.000 1.103 580 N CA 1.553 54.582 53.050 -0.035 0.000 0.707 580 N CB -1.207 37.252 38.487 -0.046 0.000 1.043 580 N HN 0.995 nan 8.380 nan 0.000 0.553 581 K N -1.986 118.433 120.400 0.033 0.000 3.209 581 K HA -0.239 4.080 4.320 -0.001 0.000 0.289 581 K C -0.546 176.148 176.600 0.156 0.000 1.191 581 K CA 1.333 57.709 56.287 0.148 0.000 0.851 581 K CB -1.073 31.478 32.500 0.085 0.000 1.242 581 K HN 0.552 nan 8.250 nan 0.000 0.480 582 E N 0.809 121.110 120.200 0.167 0.000 2.195 582 E HA 0.266 4.615 4.350 -0.001 0.000 0.271 582 E C -0.057 176.615 176.600 0.120 0.000 0.923 582 E CA -1.074 55.385 56.400 0.099 0.000 0.790 582 E CB 1.149 30.871 29.700 0.037 0.000 1.155 582 E HN 0.195 nan 8.360 nan 0.000 0.402 583 N N 1.849 120.540 118.700 -0.014 0.000 2.746 583 N HA -0.186 4.553 4.740 -0.001 0.000 0.250 583 N C -0.066 175.291 175.510 -0.255 0.000 1.055 583 N CA 0.585 53.566 53.050 -0.115 0.000 0.699 583 N CB -0.715 37.737 38.487 -0.058 0.000 0.919 583 N HN 0.535 nan 8.380 nan 0.000 0.548 584 K N -0.125 120.030 120.400 -0.409 0.000 2.280 584 K HA -0.021 4.298 4.320 -0.001 0.000 0.202 584 K C 0.711 176.795 176.600 -0.860 0.000 1.047 584 K CA 0.996 56.859 56.287 -0.707 0.000 0.942 584 K CB 0.089 32.315 32.500 -0.457 0.000 0.739 584 K HN 0.385 nan 8.250 nan 0.000 0.457 585 R N -0.215 119.689 120.500 -0.994 0.000 2.690 585 R HA 0.110 4.449 4.340 -0.001 0.000 0.419 585 R C 0.757 176.149 176.300 -1.514 0.000 1.090 585 R CA -0.240 54.749 56.100 -1.852 0.000 1.064 585 R CB 1.171 30.619 30.300 -1.420 0.000 1.391 585 R HN 0.067 nan 8.270 nan 0.000 0.586 586 G N -0.064 108.048 108.800 -1.146 0.000 3.314 586 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.238 586 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.238 586 G C 0.712 174.899 174.900 -1.187 0.000 1.184 586 G CA -0.386 44.235 45.100 -0.798 0.000 0.806 586 G HN 0.326 nan 8.290 nan 0.000 0.536 587 W N 0.524 120.961 121.300 -1.439 0.000 2.275 587 W HA -0.199 4.460 4.660 -0.001 0.000 0.321 587 W C 0.972 176.928 176.519 -0.939 0.000 1.269 587 W CA 0.912 57.302 57.345 -1.591 0.000 1.274 587 W CB -0.866 27.625 29.460 -1.615 0.000 1.141 587 W HN 0.392 nan 8.180 nan 0.000 0.493 588 Y N 0.223 120.480 120.300 -0.072 0.000 2.555 588 Y HA 0.096 4.645 4.550 -0.002 0.000 0.259 588 Y C 2.196 178.137 175.900 0.069 0.000 1.179 588 Y CA 0.406 58.546 58.100 0.066 0.000 1.230 588 Y CB -1.259 37.276 38.460 0.127 0.000 1.146 588 Y HN -0.109 nan 8.280 nan 0.000 0.526 589 T N -4.402 110.214 114.554 0.103 0.000 3.155 589 T HA -0.047 4.302 4.350 -0.001 0.000 0.264 589 T C 1.228 176.042 174.700 0.190 0.000 1.160 589 T CA 1.257 63.451 62.100 0.158 0.000 1.075 589 T CB -0.164 68.772 68.868 0.114 0.000 0.921 589 T HN 0.133 nan 8.240 nan 0.000 0.533 590 S N 0.551 116.372 115.700 0.201 0.000 2.900 590 S HA 0.208 4.677 4.470 -0.001 0.000 0.253 590 S C -0.265 174.620 174.600 0.474 0.000 1.029 590 S CA -0.495 57.868 58.200 0.272 0.000 1.096 590 S CB 0.403 63.714 63.200 0.185 0.000 1.067 590 S HN 0.332 nan 8.310 nan 0.000 0.610 591 D N 2.219 122.878 120.400 0.431 0.000 3.038 591 D HA 0.384 5.023 4.640 -0.001 0.000 0.243 591 D C 1.137 177.562 176.300 0.209 0.000 1.245 591 D CA 0.322 54.576 54.000 0.423 0.000 0.871 591 D CB -0.303 40.714 40.800 0.362 0.000 1.089 591 D HN 0.455 nan 8.370 nan 0.000 0.464 592 G N 1.227 110.211 108.800 0.306 0.000 2.171 592 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.238 592 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.238 592 G C 0.323 175.442 174.900 0.364 0.000 1.039 592 G CA 0.020 45.341 45.100 0.368 0.000 0.759 592 G HN 0.420 nan 8.290 nan 0.000 0.501 593 M N 0.397 120.148 119.600 0.251 0.000 2.233 593 M HA 0.656 5.135 4.480 -0.001 0.000 0.350 593 M C 0.417 176.834 176.300 0.194 0.000 1.176 593 M CA -0.627 54.801 55.300 0.213 0.000 1.150 593 M CB 0.258 32.926 32.600 0.114 0.000 1.530 593 M HN 0.562 nan 8.290 nan 0.000 0.459 594 F N 3.280 123.263 119.950 0.056 0.000 2.579 594 F HA 0.724 5.250 4.527 -0.002 0.000 0.324 594 F C -2.321 173.396 175.800 -0.139 0.000 1.058 594 F CA -1.080 56.914 58.000 -0.010 0.000 0.944 594 F CB 0.881 40.066 39.000 0.310 0.000 1.245 594 F HN 0.464 nan 8.300 nan 0.000 0.477 595 Y N 2.432 122.536 120.300 -0.326 0.000 2.446 595 Y HA 0.661 5.210 4.550 -0.001 0.000 0.345 595 Y C -1.124 174.674 175.900 -0.169 0.000 0.984 595 Y CA -1.117 56.718 58.100 -0.442 0.000 1.058 595 Y CB 2.152 40.255 38.460 -0.596 0.000 1.220 595 Y HN 0.798 nan 8.280 nan 0.000 0.455 596 L N 3.763 124.975 121.223 -0.018 0.000 2.349 596 L HA 0.564 4.903 4.340 -0.001 0.000 0.278 596 L C -2.066 174.757 176.870 -0.079 0.000 0.996 596 L CA -0.888 54.050 54.840 0.164 0.000 0.825 596 L CB 0.613 42.816 42.059 0.240 0.000 1.243 596 L HN 0.475 nan 8.230 nan 0.000 0.412 597 Y N 5.404 125.929 120.300 0.375 0.000 2.417 597 Y HA 0.490 5.039 4.550 -0.001 0.000 0.336 597 Y C 0.315 176.393 175.900 0.296 0.000 0.961 597 Y CA -0.563 57.727 58.100 0.317 0.000 1.215 597 Y CB 0.723 39.356 38.460 0.288 0.000 1.120 597 Y HN 0.793 nan 8.280 nan 0.000 0.499 598 N N -0.114 118.762 118.700 0.292 0.000 3.369 598 N HA 0.354 5.093 4.740 -0.001 0.000 0.362 598 N C 1.378 177.005 175.510 0.196 0.000 1.523 598 N CA -0.354 52.840 53.050 0.240 0.000 0.684 598 N CB -0.194 38.372 38.487 0.131 0.000 1.796 598 N HN 0.464 nan 8.380 nan 0.000 0.641 599 G N -1.417 107.468 108.800 0.143 0.000 2.479 599 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.220 599 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.220 599 G C -0.026 174.922 174.900 0.080 0.000 1.115 599 G CA 1.132 46.299 45.100 0.111 0.000 0.757 599 G HN 0.730 nan 8.290 nan 0.000 0.560 600 D N 0.207 120.641 120.400 0.058 0.000 2.494 600 D HA 0.255 4.894 4.640 -0.001 0.000 0.217 600 D C 1.443 177.760 176.300 0.030 0.000 1.153 600 D CA -0.581 53.425 54.000 0.010 0.000 0.954 600 D CB 0.422 41.212 40.800 -0.018 0.000 1.034 600 D HN -0.109 nan 8.370 nan 0.000 0.518 601 L N 2.378 123.620 121.223 0.031 0.000 2.353 601 L HA -0.093 4.246 4.340 -0.001 0.000 0.220 601 L C 2.303 179.060 176.870 -0.188 0.000 1.133 601 L CA 1.242 56.135 54.840 0.089 0.000 0.798 601 L CB -0.696 41.456 42.059 0.155 0.000 0.922 601 L HN 0.459 nan 8.230 nan 0.000 0.445 602 S N -2.704 112.689 115.700 -0.510 0.000 2.575 602 S HA -0.099 4.370 4.470 -0.001 0.000 0.215 602 S C 1.996 176.402 174.600 -0.322 0.000 0.966 602 S CA -0.102 57.628 58.200 -0.783 0.000 0.911 602 S CB -0.657 62.096 63.200 -0.745 0.000 0.780 602 S HN 0.518 nan 8.310 nan 0.000 0.514 603 H N 1.297 120.184 119.070 -0.305 0.000 2.289 603 H HA -0.197 4.358 4.556 -0.002 0.000 0.294 603 H C 0.499 175.461 175.328 -0.610 0.000 1.095 603 H CA 2.261 58.030 56.048 -0.465 0.000 1.256 603 H CB -0.367 29.012 29.762 -0.638 0.000 1.359 603 H HN 0.623 nan 8.280 nan 0.000 0.487 604 Y N 0.543 120.709 120.300 -0.224 0.000 2.470 604 Y HA 0.187 4.736 4.550 -0.001 0.000 0.284 604 Y C 1.090 176.971 175.900 -0.033 0.000 1.188 604 Y CA -0.193 57.647 58.100 -0.434 0.000 1.269 604 Y CB 0.440 38.777 38.460 -0.205 0.000 1.094 604 Y HN -0.001 nan 8.280 nan 0.000 0.518 605 S N -1.363 114.397 115.700 0.100 0.000 2.795 605 S HA 0.238 4.707 4.470 -0.001 0.000 0.308 605 S C -0.381 174.337 174.600 0.197 0.000 1.098 605 S CA -0.763 57.585 58.200 0.246 0.000 0.934 605 S CB 0.744 64.108 63.200 0.272 0.000 1.300 605 S HN 0.223 nan 8.310 nan 0.000 0.566 606 D N 0.607 121.175 120.400 0.280 0.000 2.708 606 D HA -0.126 4.513 4.640 -0.001 0.000 0.236 606 D C 0.697 177.128 176.300 0.218 0.000 1.146 606 D CA 1.531 55.670 54.000 0.233 0.000 0.662 606 D CB -1.599 39.279 40.800 0.131 0.000 1.059 606 D HN 1.148 nan 8.370 nan 0.000 0.428 607 G N -1.044 107.974 108.800 0.363 0.000 2.137 607 G HA2 -0.448 3.511 3.960 -0.001 0.000 0.237 607 G HA3 -0.448 3.511 3.960 -0.001 0.000 0.237 607 G C 0.584 175.474 174.900 -0.017 0.000 1.002 607 G CA 0.727 45.944 45.100 0.194 0.000 0.702 607 G HN 0.515 nan 8.290 nan 0.000 0.515 608 Y N -0.345 119.906 120.300 -0.082 0.000 2.097 608 Y HA -0.064 4.485 4.550 -0.001 0.000 0.282 608 Y C 2.568 178.272 175.900 -0.327 0.000 1.152 608 Y CA 2.652 60.621 58.100 -0.219 0.000 1.136 608 Y CB -0.354 37.879 38.460 -0.378 0.000 0.975 608 Y HN 0.351 nan 8.280 nan 0.000 0.498 609 W N 1.162 122.422 121.300 -0.067 0.000 2.342 609 W HA -0.152 4.507 4.660 -0.001 0.000 0.297 609 W C -0.414 175.763 176.519 -0.570 0.000 1.213 609 W CA 1.389 58.559 57.345 -0.292 0.000 1.251 609 W CB -1.459 27.962 29.460 -0.066 0.000 1.136 609 W HN 0.225 nan 8.180 nan 0.000 0.526 610 P HA 0.038 nan 4.420 nan 0.000 0.245 610 P C 1.005 178.059 177.300 -0.410 0.000 1.206 610 P CA 1.658 64.393 63.100 -0.608 0.000 0.781 610 P CB 0.232 31.320 31.700 -1.019 0.000 0.994 611 T N -4.257 110.066 114.554 -0.384 0.000 2.971 611 T HA 0.128 4.478 4.350 -0.001 0.000 0.252 611 T C 0.774 175.143 174.700 -0.551 0.000 1.022 611 T CA -0.128 61.802 62.100 -0.283 0.000 0.980 611 T CB -0.675 68.174 68.868 -0.031 0.000 1.044 611 T HN -0.122 nan 8.240 nan 0.000 0.501 612 V N 3.546 122.988 119.914 -0.787 0.000 2.740 612 V HA 0.271 4.390 4.120 -0.001 0.000 0.303 612 V C 0.131 175.801 176.094 -0.706 0.000 1.054 612 V CA -0.599 60.999 62.300 -1.169 0.000 1.106 612 V CB 0.482 31.527 31.823 -1.297 0.000 0.957 612 V HN 0.549 nan 8.190 nan 0.000 0.486 613 N N 8.479 126.801 118.700 -0.631 0.000 2.399 613 N HA 0.235 4.974 4.740 -0.001 0.000 0.259 613 N C -1.321 174.092 175.510 -0.163 0.000 1.160 613 N CA -1.874 51.005 53.050 -0.284 0.000 0.946 613 N CB 1.361 39.730 38.487 -0.197 0.000 1.156 613 N HN 0.503 nan 8.380 nan 0.000 0.489 614 P HA -0.128 nan 4.420 nan 0.000 0.225 614 P C 0.393 177.732 177.300 0.066 0.000 1.148 614 P CA 1.127 64.151 63.100 -0.126 0.000 0.779 614 P CB 0.027 31.514 31.700 -0.356 0.000 0.780 615 Y N 0.425 120.861 120.300 0.226 0.000 2.511 615 Y HA 0.134 4.683 4.550 -0.001 0.000 0.279 615 Y C 1.430 177.421 175.900 0.151 0.000 1.157 615 Y CA 0.672 58.946 58.100 0.290 0.000 1.300 615 Y CB 0.100 38.659 38.460 0.164 0.000 1.052 615 Y HN -0.100 nan 8.280 nan 0.000 0.529 616 K N 0.222 120.733 120.400 0.186 0.000 3.271 616 K HA 0.220 4.539 4.320 -0.001 0.000 0.192 616 K C -0.673 175.950 176.600 0.039 0.000 1.108 616 K CA -0.325 56.010 56.287 0.080 0.000 0.902 616 K CB 0.417 32.931 32.500 0.023 0.000 0.889 616 K HN -0.037 nan 8.250 nan 0.000 0.520 617 M N 1.836 121.488 119.600 0.087 0.000 2.248 617 M HA 0.126 4.606 4.480 -0.001 0.000 0.345 617 M C -2.338 173.996 176.300 0.056 0.000 1.243 617 M CA -2.823 52.511 55.300 0.055 0.000 1.090 617 M CB -0.739 31.936 32.600 0.126 0.000 1.683 617 M HN -0.052 nan 8.290 nan 0.000 0.450 618 P HA 0.129 nan 4.420 nan 0.000 0.261 618 P C 0.878 178.362 177.300 0.306 0.000 1.183 618 P CA 1.072 64.202 63.100 0.049 0.000 0.761 618 P CB 0.359 31.879 31.700 -0.300 0.000 0.785 619 G N 1.947 111.036 108.800 0.482 0.000 2.241 619 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.244 619 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.244 619 G C 0.360 175.496 174.900 0.395 0.000 0.998 619 G CA 0.296 45.762 45.100 0.610 0.000 0.621 619 G HN 0.787 nan 8.290 nan 0.000 0.519 620 T N -0.535 114.162 114.554 0.239 0.000 2.910 620 T HA 0.587 4.936 4.350 -0.001 0.000 0.293 620 T C -0.011 174.725 174.700 0.060 0.000 1.015 620 T CA 0.562 62.733 62.100 0.118 0.000 1.094 620 T CB 1.969 70.883 68.868 0.076 0.000 0.968 620 T HN 0.354 nan 8.240 nan 0.000 0.521 621 T N 3.943 118.503 114.554 0.009 0.000 2.772 621 T HA 0.536 4.885 4.350 -0.001 0.000 0.288 621 T C -0.584 174.192 174.700 0.126 0.000 0.994 621 T CA -0.727 61.448 62.100 0.124 0.000 0.951 621 T CB 0.790 69.792 68.868 0.224 0.000 0.933 621 T HN 0.687 nan 8.240 nan 0.000 0.447 622 E N 1.492 121.755 120.200 0.105 0.000 2.449 622 E HA 0.465 4.814 4.350 -0.001 0.000 0.278 622 E C -0.283 176.388 176.600 0.119 0.000 0.992 622 E CA -0.806 55.635 56.400 0.068 0.000 0.807 622 E CB 1.594 31.127 29.700 -0.278 0.000 1.350 622 E HN 0.644 nan 8.360 nan 0.000 0.462 623 T N -2.181 112.467 114.554 0.157 0.000 2.912 623 T HA 0.263 4.612 4.350 -0.001 0.000 0.280 623 T C 0.518 175.305 174.700 0.145 0.000 0.989 623 T CA -0.656 61.534 62.100 0.149 0.000 0.995 623 T CB 0.694 69.660 68.868 0.163 0.000 1.077 623 T HN 0.445 nan 8.240 nan 0.000 0.531 624 D N -0.248 120.210 120.400 0.097 0.000 2.434 624 D HA 0.221 4.860 4.640 -0.001 0.000 0.232 624 D C 0.719 177.038 176.300 0.032 0.000 1.166 624 D CA -0.532 53.496 54.000 0.047 0.000 0.830 624 D CB -0.808 39.979 40.800 -0.021 0.000 0.960 624 D HN 0.769 nan 8.370 nan 0.000 0.497 625 A N 0.699 123.608 122.820 0.148 0.000 2.483 625 A HA 0.147 4.467 4.320 -0.001 0.000 0.238 625 A C 0.568 178.221 177.584 0.115 0.000 1.070 625 A CA -0.401 51.734 52.037 0.163 0.000 0.770 625 A CB 0.295 19.493 19.000 0.330 0.000 1.008 625 A HN 0.286 nan 8.150 nan 0.000 0.497 626 K N 1.107 121.529 120.400 0.035 0.000 2.382 626 K HA 0.184 4.503 4.320 -0.001 0.000 0.275 626 K C -0.404 176.147 176.600 -0.083 0.000 1.009 626 K CA -0.119 56.162 56.287 -0.009 0.000 0.970 626 K CB 0.330 32.816 32.500 -0.022 0.000 0.934 626 K HN 0.674 nan 8.250 nan 0.000 0.479 627 R N 1.512 121.856 120.500 -0.259 0.000 2.637 627 R HA 0.411 4.750 4.340 -0.001 0.000 0.291 627 R C -0.967 174.999 176.300 -0.557 0.000 0.963 627 R CA -0.835 54.736 56.100 -0.882 0.000 0.901 627 R CB 1.830 30.800 30.300 -2.217 0.000 1.160 627 R HN 0.743 nan 8.270 nan 0.000 0.457 628 A N 1.532 124.122 122.820 -0.383 0.000 2.331 628 A HA 0.246 4.566 4.320 -0.001 0.000 0.283 628 A C 0.320 178.019 177.584 0.192 0.000 1.142 628 A CA -0.449 51.564 52.037 -0.040 0.000 0.812 628 A CB 0.346 19.343 19.000 -0.005 0.000 1.074 628 A HN 0.619 nan 8.150 nan 0.000 0.497 629 D N 1.436 121.975 120.400 0.231 0.000 2.218 629 D HA -0.131 4.508 4.640 -0.001 0.000 0.204 629 D C 2.085 178.460 176.300 0.125 0.000 0.976 629 D CA 1.964 56.065 54.000 0.168 0.000 0.853 629 D CB -0.067 40.766 40.800 0.054 0.000 0.939 629 D HN 0.645 nan 8.370 nan 0.000 0.481 630 S N -0.124 115.688 115.700 0.187 0.000 2.561 630 S HA -0.050 4.420 4.470 -0.001 0.000 0.225 630 S C 0.605 175.375 174.600 0.284 0.000 0.977 630 S CA -0.202 58.150 58.200 0.253 0.000 0.926 630 S CB 0.056 63.351 63.200 0.158 0.000 0.769 630 S HN -0.057 nan 8.310 nan 0.000 0.533 631 D N 2.748 123.314 120.400 0.277 0.000 2.368 631 D HA 0.402 5.041 4.640 -0.001 0.000 0.240 631 D C 0.647 177.170 176.300 0.372 0.000 1.169 631 D CA 0.693 54.856 54.000 0.272 0.000 0.906 631 D CB 1.051 41.978 40.800 0.211 0.000 1.187 631 D HN 0.511 nan 8.370 nan 0.000 0.435 632 T N -2.713 111.964 114.554 0.206 0.000 2.907 632 T HA 0.694 5.043 4.350 -0.001 0.000 0.290 632 T C 0.567 175.192 174.700 -0.125 0.000 1.066 632 T CA -1.022 61.077 62.100 -0.002 0.000 1.012 632 T CB 1.320 70.149 68.868 -0.064 0.000 1.184 632 T HN 0.261 nan 8.240 nan 0.000 0.522 633 G N 0.745 109.257 108.800 -0.479 0.000 2.699 633 G HA2 0.507 4.466 3.960 -0.001 0.000 0.246 633 G HA3 0.507 4.466 3.960 -0.001 0.000 0.246 633 G C -0.627 174.245 174.900 -0.047 0.000 1.219 633 G CA -0.414 44.469 45.100 -0.362 0.000 0.866 633 G HN 0.724 nan 8.290 nan 0.000 0.572 634 K N -1.117 119.309 120.400 0.044 0.000 2.509 634 K HA 0.485 4.804 4.320 -0.001 0.000 0.266 634 K C -0.192 176.547 176.600 0.233 0.000 0.987 634 K CA -0.694 55.682 56.287 0.148 0.000 0.868 634 K CB 1.799 34.444 32.500 0.243 0.000 1.421 634 K HN 0.537 nan 8.250 nan 0.000 0.444 635 V N -1.313 118.772 119.914 0.284 0.000 3.109 635 V HA 0.544 4.663 4.120 -0.001 0.000 0.317 635 V C 0.061 176.437 176.094 0.470 0.000 1.074 635 V CA -1.092 61.447 62.300 0.397 0.000 1.033 635 V CB 1.127 33.082 31.823 0.221 0.000 1.111 635 V HN 0.622 nan 8.190 nan 0.000 0.458 636 L N 2.868 124.278 121.223 0.312 0.000 2.375 636 L HA 0.531 4.870 4.340 -0.001 0.000 0.271 636 L C -1.734 175.159 176.870 0.038 0.000 1.107 636 L CA -1.329 53.519 54.840 0.014 0.000 0.806 636 L CB 1.303 43.069 42.059 -0.488 0.000 1.146 636 L HN 0.481 nan 8.230 nan 0.000 0.447 637 P HA -0.070 nan 4.420 nan 0.000 0.217 637 P C -0.174 177.144 177.300 0.029 0.000 1.150 637 P CA 0.796 63.917 63.100 0.034 0.000 0.832 637 P CB 0.228 31.942 31.700 0.022 0.000 0.787 638 S N -1.413 114.299 115.700 0.021 0.000 2.616 638 S HA 0.537 5.006 4.470 -0.001 0.000 0.277 638 S C 0.925 175.553 174.600 0.047 0.000 1.234 638 S CA -0.251 57.979 58.200 0.050 0.000 1.028 638 S CB 0.772 64.028 63.200 0.095 0.000 0.988 638 S HN 0.021 nan 8.310 nan 0.000 0.522 639 A N 3.444 126.307 122.820 0.071 0.000 2.348 639 A HA 0.331 4.650 4.320 -0.001 0.000 0.224 639 A C 0.354 177.988 177.584 0.084 0.000 1.227 639 A CA -0.269 51.803 52.037 0.057 0.000 0.885 639 A CB -0.290 18.737 19.000 0.045 0.000 0.933 639 A HN 0.736 nan 8.150 nan 0.000 0.506 640 F N 1.726 121.637 119.950 -0.064 0.000 2.661 640 F HA 0.435 4.962 4.527 -0.001 0.000 0.356 640 F C -0.492 175.274 175.800 -0.057 0.000 1.244 640 F CA -0.470 57.464 58.000 -0.110 0.000 1.290 640 F CB 0.046 38.943 39.000 -0.172 0.000 1.677 640 F HN -0.090 nan 8.300 nan 0.000 0.649 641 V N 2.554 122.363 119.914 -0.175 0.000 2.612 641 V HA 0.885 5.004 4.120 -0.001 0.000 0.301 641 V C -0.017 176.021 176.094 -0.095 0.000 1.059 641 V CA -0.435 61.802 62.300 -0.106 0.000 0.886 641 V CB 1.260 33.080 31.823 -0.005 0.000 1.007 641 V HN 0.663 nan 8.190 nan 0.000 0.426 642 G N 2.497 111.248 108.800 -0.080 0.000 2.356 642 G HA2 0.574 4.533 3.960 -0.001 0.000 0.294 642 G HA3 0.574 4.533 3.960 -0.001 0.000 0.294 642 G C -1.241 173.666 174.900 0.011 0.000 1.423 642 G CA -0.415 44.712 45.100 0.044 0.000 0.806 642 G HN 0.514 nan 8.290 nan 0.000 0.527 643 T N 0.240 114.770 114.554 -0.040 0.000 2.824 643 T HA 0.644 4.993 4.350 -0.001 0.000 0.282 643 T C -0.363 174.203 174.700 -0.224 0.000 0.993 643 T CA -0.396 61.638 62.100 -0.109 0.000 0.967 643 T CB 1.631 70.427 68.868 -0.120 0.000 0.960 643 T HN 0.735 nan 8.240 nan 0.000 0.441 644 S N 2.555 118.183 115.700 -0.120 0.000 2.438 644 S HA 0.430 4.899 4.470 -0.001 0.000 0.316 644 S C -0.392 174.160 174.600 -0.080 0.000 1.084 644 S CA -0.816 57.310 58.200 -0.123 0.000 1.107 644 S CB 0.165 63.339 63.200 -0.044 0.000 0.981 644 S HN 0.631 nan 8.310 nan 0.000 0.466 645 K N 4.757 125.092 120.400 -0.109 0.000 2.211 645 K HA 0.340 4.659 4.320 -0.001 0.000 0.275 645 K C 0.482 177.069 176.600 -0.022 0.000 1.024 645 K CA -0.704 55.547 56.287 -0.061 0.000 0.887 645 K CB 1.095 33.540 32.500 -0.092 0.000 1.084 645 K HN 0.590 nan 8.250 nan 0.000 0.463 646 L N 3.655 124.886 121.223 0.014 0.000 2.189 646 L HA 0.163 4.502 4.340 -0.001 0.000 0.199 646 L C -0.226 176.655 176.870 0.019 0.000 1.074 646 L CA 1.684 56.543 54.840 0.031 0.000 0.783 646 L CB -0.013 42.085 42.059 0.066 0.000 0.955 646 L HN 0.966 nan 8.230 nan 0.000 0.460 647 D N -3.903 116.508 120.400 0.017 0.000 2.921 647 D HA 0.154 4.793 4.640 -0.001 0.000 0.329 647 D C 0.069 176.375 176.300 0.010 0.000 1.293 647 D CA -0.307 53.701 54.000 0.012 0.000 0.964 647 D CB -0.321 40.489 40.800 0.017 0.000 1.435 647 D HN -0.176 nan 8.370 nan 0.000 0.548 648 D N -0.874 119.534 120.400 0.013 0.000 2.378 648 D HA 0.106 4.746 4.640 -0.001 0.000 0.222 648 D C 1.004 177.299 176.300 -0.008 0.000 0.980 648 D CA 1.204 55.217 54.000 0.020 0.000 0.907 648 D CB 0.204 41.025 40.800 0.035 0.000 0.899 648 D HN 0.461 nan 8.370 nan 0.000 0.527 649 A N -0.301 122.511 122.820 -0.012 0.000 2.427 649 A HA 0.118 4.437 4.320 -0.001 0.000 0.225 649 A C 0.461 178.044 177.584 -0.002 0.000 1.257 649 A CA -0.256 51.762 52.037 -0.030 0.000 0.985 649 A CB 0.683 19.659 19.000 -0.040 0.000 1.136 649 A HN -0.033 nan 8.150 nan 0.000 0.538 650 N N 0.200 118.911 118.700 0.018 0.000 2.295 650 N HA 0.668 5.408 4.740 -0.001 0.000 0.293 650 N C -0.898 174.640 175.510 0.048 0.000 1.040 650 N CA 0.306 53.383 53.050 0.044 0.000 0.840 650 N CB 2.191 40.716 38.487 0.064 0.000 1.468 650 N HN 0.355 nan 8.380 nan 0.000 0.478 651 A N 0.918 123.771 122.820 0.056 0.000 2.610 651 A HA 0.790 5.109 4.320 -0.001 0.000 0.291 651 A C -1.132 176.475 177.584 0.039 0.000 1.086 651 A CA -0.527 51.533 52.037 0.038 0.000 0.677 651 A CB 1.596 20.600 19.000 0.006 0.000 1.278 651 A HN 0.387 nan 8.150 nan 0.000 0.414 652 T N 0.386 114.944 114.554 0.006 0.000 2.893 652 T HA 0.802 5.151 4.350 -0.001 0.000 0.293 652 T C -0.364 174.287 174.700 -0.082 0.000 1.027 652 T CA 0.235 62.285 62.100 -0.083 0.000 0.988 652 T CB 1.706 70.555 68.868 -0.032 0.000 1.043 652 T HN 1.831 nan 8.240 nan 0.000 0.461 653 A N 1.576 124.340 122.820 -0.092 0.000 2.515 653 A HA 0.955 5.274 4.320 -0.001 0.000 0.296 653 A C -0.473 177.193 177.584 0.137 0.000 1.094 653 A CA -0.800 51.266 52.037 0.049 0.000 0.718 653 A CB 2.281 21.357 19.000 0.128 0.000 1.307 653 A HN 0.746 nan 8.150 nan 0.000 0.408 654 T N 0.490 115.127 114.554 0.139 0.000 2.868 654 T HA 0.676 5.025 4.350 -0.001 0.000 0.306 654 T C -1.482 173.361 174.700 0.238 0.000 1.224 654 T CA -0.373 61.825 62.100 0.164 0.000 1.012 654 T CB 1.177 70.028 68.868 -0.027 0.000 1.221 654 T HN 0.953 nan 8.240 nan 0.000 0.499 655 M N 3.551 123.364 119.600 0.354 0.000 2.183 655 M HA 0.369 4.848 4.480 -0.001 0.000 0.277 655 M C -1.606 174.939 176.300 0.408 0.000 0.995 655 M CA -0.611 54.905 55.300 0.360 0.000 0.969 655 M CB 1.541 34.453 32.600 0.519 0.000 1.659 655 M HN 0.578 nan 8.290 nan 0.000 0.462 656 D N 4.679 125.310 120.400 0.386 0.000 2.551 656 D HA 0.118 4.757 4.640 -0.001 0.000 0.223 656 D C -1.157 175.355 176.300 0.352 0.000 1.144 656 D CA 0.144 54.410 54.000 0.443 0.000 1.025 656 D CB -0.198 40.869 40.800 0.445 0.000 1.085 656 D HN 0.407 nan 8.370 nan 0.000 0.506 657 F N 2.325 122.421 119.950 0.243 0.000 2.443 657 F HA 0.369 4.895 4.527 -0.002 0.000 0.353 657 F C -0.037 175.873 175.800 0.183 0.000 1.101 657 F CA 0.030 58.152 58.000 0.202 0.000 1.226 657 F CB 0.964 40.118 39.000 0.257 0.000 1.140 657 F HN 0.005 nan 8.300 nan 0.000 0.557 658 T N 6.380 120.450 114.554 -0.806 0.000 2.921 658 T HA 0.236 4.585 4.350 -0.001 0.000 0.297 658 T C -0.574 173.524 174.700 -1.003 0.000 1.013 658 T CA -0.994 60.714 62.100 -0.653 0.000 0.990 658 T CB 1.071 69.796 68.868 -0.240 0.000 1.023 658 T HN 0.701 nan 8.240 nan 0.000 0.447 659 N N 2.194 120.493 118.700 -0.668 0.000 2.347 659 N HA 0.053 4.792 4.740 -0.001 0.000 0.253 659 N C 1.775 177.325 175.510 0.067 0.000 1.274 659 N CA -0.892 52.057 53.050 -0.168 0.000 0.941 659 N CB 0.402 39.005 38.487 0.193 0.000 1.200 659 N HN 0.878 nan 8.380 nan 0.000 0.514 660 W N 1.121 122.546 121.300 0.209 0.000 2.313 660 W HA -0.208 4.451 4.660 -0.002 0.000 0.293 660 W C 0.192 176.785 176.519 0.123 0.000 1.216 660 W CA 1.570 59.037 57.345 0.204 0.000 1.223 660 W CB -1.195 28.409 29.460 0.241 0.000 1.138 660 W HN 0.806 nan 8.180 nan 0.000 0.535 661 N N 0.274 118.423 118.700 -0.918 0.000 2.282 661 N HA 0.130 4.869 4.740 -0.001 0.000 0.240 661 N C -0.140 175.111 175.510 -0.432 0.000 1.182 661 N CA -0.189 52.346 53.050 -0.857 0.000 0.874 661 N CB -0.153 37.430 38.487 -1.506 0.000 1.126 661 N HN -0.147 nan 8.380 nan 0.000 0.516 662 Q N 0.425 120.060 119.800 -0.276 0.000 2.452 662 Q HA -0.168 4.171 4.340 -0.001 0.000 0.318 662 Q C 0.386 176.292 176.000 -0.157 0.000 1.386 662 Q CA 1.471 57.171 55.803 -0.172 0.000 0.872 662 Q CB -2.286 26.382 28.738 -0.117 0.000 1.151 662 Q HN 0.760 nan 8.270 nan 0.000 0.417 663 T N -3.916 110.540 114.554 -0.163 0.000 2.975 663 T HA 0.476 4.825 4.350 -0.001 0.000 0.261 663 T C 0.297 174.972 174.700 -0.042 0.000 0.984 663 T CA 0.144 62.183 62.100 -0.103 0.000 0.911 663 T CB 0.545 69.343 68.868 -0.116 0.000 1.127 663 T HN 0.331 nan 8.240 nan 0.000 0.514 664 L N 2.001 123.204 121.223 -0.033 0.000 2.445 664 L HA 0.769 5.109 4.340 -0.001 0.000 0.262 664 L C -1.162 175.715 176.870 0.012 0.000 0.974 664 L CA -0.399 54.462 54.840 0.034 0.000 0.822 664 L CB 2.357 44.494 42.059 0.130 0.000 1.339 664 L HN 0.345 nan 8.230 nan 0.000 0.409 665 T N 1.205 115.794 114.554 0.059 0.000 2.901 665 T HA 0.976 5.325 4.350 -0.001 0.000 0.293 665 T C -0.792 174.012 174.700 0.174 0.000 1.084 665 T CA -0.292 61.857 62.100 0.081 0.000 1.008 665 T CB 2.057 70.943 68.868 0.030 0.000 1.170 665 T HN 1.227 nan 8.240 nan 0.000 0.509 666 A N 1.236 124.215 122.820 0.266 0.000 2.573 666 A HA 0.542 4.861 4.320 -0.001 0.000 0.299 666 A C -1.621 176.159 177.584 0.326 0.000 1.060 666 A CA -0.875 51.292 52.037 0.216 0.000 0.736 666 A CB 0.598 19.772 19.000 0.289 0.000 1.280 666 A HN 0.929 nan 8.150 nan 0.000 0.401 667 H N 2.036 121.087 119.070 -0.032 0.000 2.820 667 H HA 0.363 4.918 4.556 -0.001 0.000 0.278 667 H C -0.222 175.071 175.328 -0.057 0.000 1.142 667 H CA 0.260 56.266 56.048 -0.069 0.000 1.346 667 H CB 0.495 30.001 29.762 -0.427 0.000 1.438 667 H HN 0.480 nan 8.280 nan 0.000 0.473 668 K N 2.232 122.703 120.400 0.118 0.000 2.213 668 K HA 0.536 4.855 4.320 -0.001 0.000 0.270 668 K C -0.278 176.016 176.600 -0.512 0.000 1.002 668 K CA -0.489 55.670 56.287 -0.214 0.000 0.868 668 K CB 1.519 33.944 32.500 -0.124 0.000 1.093 668 K HN 0.374 nan 8.250 nan 0.000 0.454 669 S N 1.623 116.896 115.700 -0.711 0.000 2.570 669 S HA 0.540 5.009 4.470 -0.001 0.000 0.286 669 S C -1.348 172.730 174.600 -0.869 0.000 1.099 669 S CA -0.939 56.905 58.200 -0.593 0.000 0.913 669 S CB 1.255 64.367 63.200 -0.147 0.000 1.085 669 S HN 0.445 nan 8.310 nan 0.000 0.480 670 W N 1.450 122.507 121.300 -0.406 0.000 2.883 670 W HA 0.511 5.170 4.660 -0.001 0.000 0.335 670 W C -1.948 174.163 176.519 -0.680 0.000 1.083 670 W CA -0.755 56.351 57.345 -0.398 0.000 1.233 670 W CB 1.401 30.687 29.460 -0.289 0.000 1.412 670 W HN 0.522 nan 8.180 nan 0.000 0.490 671 F N 2.376 122.364 119.950 0.062 0.000 2.532 671 F HA 0.380 4.907 4.527 -0.001 0.000 0.365 671 F C 0.237 176.041 175.800 0.006 0.000 1.112 671 F CA -0.781 57.256 58.000 0.063 0.000 1.082 671 F CB 0.869 39.908 39.000 0.066 0.000 1.319 671 F HN -0.069 nan 8.300 nan 0.000 0.457 672 M N 4.862 124.512 119.600 0.083 0.000 2.156 672 M HA 0.299 4.778 4.480 -0.001 0.000 0.345 672 M C -0.460 175.880 176.300 0.066 0.000 1.398 672 M CA 0.265 55.571 55.300 0.010 0.000 1.148 672 M CB 0.427 33.026 32.600 -0.002 0.000 1.663 672 M HN 0.479 nan 8.290 nan 0.000 0.464 673 L N 4.461 125.722 121.223 0.064 0.000 2.679 673 L HA 0.292 4.631 4.340 -0.001 0.000 0.238 673 L C 0.866 177.761 176.870 0.043 0.000 1.330 673 L CA -0.198 54.679 54.840 0.062 0.000 0.935 673 L CB 0.013 42.114 42.059 0.071 0.000 1.243 673 L HN 0.854 nan 8.230 nan 0.000 0.484 674 K N 1.291 121.709 120.400 0.031 0.000 10.660 674 K HA -0.308 4.011 4.320 -0.001 0.000 0.523 674 K C 0.613 177.256 176.600 0.072 0.000 0.379 674 K CA 2.549 58.843 56.287 0.012 0.000 1.947 674 K CB -0.716 31.781 32.500 -0.005 0.000 0.758 674 K HN 0.725 nan 8.250 nan 0.000 1.189 675 D N 0.849 121.327 120.400 0.130 0.000 2.538 675 D HA 0.198 4.837 4.640 -0.001 0.000 0.231 675 D C -0.306 176.118 176.300 0.206 0.000 1.229 675 D CA 0.005 54.170 54.000 0.275 0.000 0.828 675 D CB 0.264 41.162 40.800 0.162 0.000 1.035 675 D HN 0.567 nan 8.370 nan 0.000 0.495 676 K N -0.904 119.580 120.400 0.139 0.000 2.642 676 K HA 0.558 4.877 4.320 -0.001 0.000 0.290 676 K C -1.858 174.737 176.600 -0.008 0.000 1.006 676 K CA -0.947 55.348 56.287 0.013 0.000 0.869 676 K CB 0.809 33.330 32.500 0.035 0.000 1.499 676 K HN -0.114 nan 8.250 nan 0.000 0.403 677 I N 1.079 121.620 120.570 -0.048 0.000 2.499 677 I HA 0.445 4.614 4.170 -0.001 0.000 0.288 677 I C -0.749 175.440 176.117 0.119 0.000 1.048 677 I CA -0.456 60.780 61.300 -0.107 0.000 1.062 677 I CB 2.026 39.695 38.000 -0.552 0.000 1.238 677 I HN 0.846 nan 8.210 nan 0.000 0.426 678 A N 5.807 128.744 122.820 0.194 0.000 2.301 678 A HA 0.818 5.137 4.320 -0.001 0.000 0.312 678 A C -1.149 176.589 177.584 0.256 0.000 1.182 678 A CA -0.174 52.069 52.037 0.344 0.000 0.826 678 A CB 0.171 19.389 19.000 0.363 0.000 1.134 678 A HN 0.449 nan 8.150 nan 0.000 0.501 679 F N 2.067 121.987 119.950 -0.049 0.000 2.402 679 F HA 0.527 5.053 4.527 -0.001 0.000 0.355 679 F C -0.095 175.643 175.800 -0.104 0.000 1.123 679 F CA -0.416 57.463 58.000 -0.201 0.000 1.021 679 F CB 1.515 40.154 39.000 -0.602 0.000 1.160 679 F HN 0.320 nan 8.300 nan 0.000 0.451 680 L N 2.952 124.207 121.223 0.054 0.000 2.365 680 L HA 0.861 5.200 4.340 -0.001 0.000 0.273 680 L C 0.062 176.601 176.870 -0.552 0.000 1.000 680 L CA -0.824 53.936 54.840 -0.133 0.000 0.819 680 L CB 2.226 44.291 42.059 0.010 0.000 1.284 680 L HN 0.729 nan 8.230 nan 0.000 0.418 681 G N 0.874 108.972 108.800 -1.170 0.000 2.662 681 G HA2 0.672 4.631 3.960 -0.001 0.000 0.302 681 G HA3 0.672 4.631 3.960 -0.001 0.000 0.302 681 G C -0.986 173.542 174.900 -0.621 0.000 1.389 681 G CA -0.269 44.123 45.100 -1.180 0.000 0.998 681 G HN 0.609 nan 8.290 nan 0.000 0.502 682 S N 0.495 115.988 115.700 -0.345 0.000 2.685 682 S HA 0.572 5.041 4.470 -0.001 0.000 0.282 682 S C 0.289 174.700 174.600 -0.315 0.000 1.159 682 S CA -0.337 57.700 58.200 -0.273 0.000 0.833 682 S CB 1.484 64.558 63.200 -0.211 0.000 1.151 682 S HN 1.206 nan 8.310 nan 0.000 0.485 683 N N -0.266 118.242 118.700 -0.319 0.000 2.735 683 N HA -0.144 4.595 4.740 -0.001 0.000 0.248 683 N C -0.976 174.389 175.510 -0.242 0.000 1.083 683 N CA 0.350 53.179 53.050 -0.367 0.000 0.703 683 N CB -1.103 36.916 38.487 -0.779 0.000 1.005 683 N HN 0.691 nan 8.380 nan 0.000 0.550 684 I N 1.811 122.275 120.570 -0.176 0.000 2.436 684 I HA 0.032 4.201 4.170 -0.001 0.000 0.289 684 I C 0.471 176.552 176.117 -0.061 0.000 1.083 684 I CA 0.530 61.763 61.300 -0.111 0.000 1.372 684 I CB 0.857 38.734 38.000 -0.206 0.000 1.408 684 I HN 0.145 nan 8.210 nan 0.000 0.516 685 Q N 5.228 125.015 119.800 -0.021 0.000 2.397 685 Q HA 0.486 4.825 4.340 -0.001 0.000 0.275 685 Q C -0.901 175.113 176.000 0.023 0.000 1.090 685 Q CA -1.038 54.760 55.803 -0.008 0.000 0.809 685 Q CB 2.768 31.488 28.738 -0.030 0.000 1.362 685 Q HN 0.468 nan 8.270 nan 0.000 0.431 686 N N 0.050 118.763 118.700 0.023 0.000 2.500 686 N HA 0.177 4.916 4.740 -0.001 0.000 0.291 686 N C -0.642 174.875 175.510 0.012 0.000 1.092 686 N CA -0.300 52.768 53.050 0.031 0.000 0.890 686 N CB 1.663 40.184 38.487 0.057 0.000 1.466 686 N HN 0.646 nan 8.380 nan 0.000 0.507 687 T N -0.867 113.685 114.554 -0.003 0.000 3.105 687 T HA 0.199 4.548 4.350 -0.001 0.000 0.253 687 T C 0.774 175.467 174.700 -0.012 0.000 1.047 687 T CA -0.046 62.047 62.100 -0.011 0.000 0.944 687 T CB -0.334 68.520 68.868 -0.024 0.000 1.016 687 T HN 0.403 nan 8.240 nan 0.000 0.544 688 S N 1.160 116.857 115.700 -0.004 0.000 2.738 688 S HA 0.443 4.912 4.470 -0.001 0.000 0.284 688 S C 1.167 175.773 174.600 0.010 0.000 1.146 688 S CA 0.011 58.210 58.200 -0.002 0.000 0.997 688 S CB 1.196 64.396 63.200 0.001 0.000 1.081 688 S HN 0.345 nan 8.310 nan 0.000 0.553 689 T N -2.208 112.353 114.554 0.012 0.000 3.086 689 T HA 0.237 4.586 4.350 -0.001 0.000 0.250 689 T C -0.219 174.493 174.700 0.020 0.000 1.074 689 T CA -0.334 61.774 62.100 0.013 0.000 0.988 689 T CB -0.550 68.323 68.868 0.009 0.000 0.988 689 T HN 0.539 nan 8.240 nan 0.000 0.530 690 D N 3.175 123.594 120.400 0.031 0.000 2.283 690 D HA 0.284 4.923 4.640 -0.001 0.000 0.248 690 D C 0.399 176.724 176.300 0.042 0.000 1.072 690 D CA -0.073 53.951 54.000 0.040 0.000 0.929 690 D CB 1.628 42.469 40.800 0.068 0.000 1.182 690 D HN 0.403 nan 8.370 nan 0.000 0.433 691 T N -1.976 112.598 114.554 0.035 0.000 2.897 691 T HA 0.572 4.921 4.350 -0.001 0.000 0.294 691 T C -0.092 174.643 174.700 0.058 0.000 1.004 691 T CA -0.891 61.230 62.100 0.035 0.000 1.106 691 T CB 1.306 70.180 68.868 0.010 0.000 0.949 691 T HN 0.383 nan 8.240 nan 0.000 0.520 692 A N 1.739 124.607 122.820 0.079 0.000 2.340 692 A HA 0.957 5.276 4.320 -0.001 0.000 0.331 692 A C -0.039 177.605 177.584 0.099 0.000 1.140 692 A CA -0.594 51.521 52.037 0.131 0.000 0.801 692 A CB 1.036 20.152 19.000 0.192 0.000 1.234 692 A HN 1.750 nan 8.150 nan 0.000 0.469 693 A N 0.641 123.527 122.820 0.110 0.000 2.601 693 A HA 0.765 5.084 4.320 -0.001 0.000 0.291 693 A C -0.562 177.057 177.584 0.057 0.000 1.075 693 A CA -0.411 51.581 52.037 -0.075 0.000 0.671 693 A CB 0.839 19.770 19.000 -0.116 0.000 1.277 693 A HN 0.902 nan 8.150 nan 0.000 0.417 694 T N 1.696 116.236 114.554 -0.025 0.000 2.797 694 T HA 0.564 4.913 4.350 -0.001 0.000 0.279 694 T C -0.271 174.403 174.700 -0.045 0.000 0.991 694 T CA -0.023 62.117 62.100 0.066 0.000 0.979 694 T CB 1.189 70.116 68.868 0.099 0.000 0.943 694 T HN 0.587 nan 8.240 nan 0.000 0.444 695 T N 4.304 118.853 114.554 -0.008 0.000 2.723 695 T HA 0.271 4.620 4.350 -0.001 0.000 0.297 695 T C 1.693 176.382 174.700 -0.018 0.000 0.925 695 T CA -0.321 61.766 62.100 -0.021 0.000 1.030 695 T CB 0.085 68.966 68.868 0.020 0.000 0.905 695 T HN 0.462 nan 8.240 nan 0.000 0.502 696 I N 1.592 122.076 120.570 -0.143 0.000 2.315 696 I HA 0.005 4.174 4.170 -0.001 0.000 0.248 696 I C 0.987 177.068 176.117 -0.060 0.000 1.117 696 I CA 1.112 62.241 61.300 -0.285 0.000 1.404 696 I CB 0.259 37.882 38.000 -0.629 0.000 1.071 696 I HN 0.531 nan 8.210 nan 0.000 0.419 697 D N -0.935 119.447 120.400 -0.029 0.000 2.683 697 D HA 0.196 4.835 4.640 -0.001 0.000 0.246 697 D C -1.423 174.899 176.300 0.037 0.000 1.238 697 D CA -0.418 53.653 54.000 0.118 0.000 0.759 697 D CB 1.489 42.420 40.800 0.219 0.000 1.349 697 D HN -0.075 nan 8.370 nan 0.000 0.426 698 Q N 2.371 122.215 119.800 0.073 0.000 2.878 698 Q HA 0.329 4.668 4.340 -0.001 0.000 0.232 698 Q C -1.433 174.719 176.000 0.254 0.000 0.893 698 Q CA -0.635 55.233 55.803 0.108 0.000 0.742 698 Q CB 1.067 29.815 28.738 0.016 0.000 1.354 698 Q HN 0.209 nan 8.270 nan 0.000 0.466 699 R N 2.115 122.757 120.500 0.237 0.000 2.294 699 R HA 0.308 4.647 4.340 -0.001 0.000 0.319 699 R C -0.955 175.441 176.300 0.160 0.000 0.984 699 R CA -0.320 55.941 56.100 0.268 0.000 0.861 699 R CB 1.003 31.358 30.300 0.092 0.000 1.104 699 R HN 0.308 nan 8.270 nan 0.000 0.451 700 K N 4.722 125.115 120.400 -0.012 0.000 2.322 700 K HA 0.219 4.538 4.320 -0.001 0.000 0.283 700 K C -0.666 175.729 176.600 -0.341 0.000 1.042 700 K CA -0.269 55.549 56.287 -0.782 0.000 0.958 700 K CB 0.467 32.320 32.500 -1.078 0.000 0.984 700 K HN 0.505 nan 8.250 nan 0.000 0.473 701 L N 2.981 123.999 121.223 -0.341 0.000 2.387 701 L HA 0.376 4.715 4.340 -0.001 0.000 0.266 701 L C 0.010 176.769 176.870 -0.185 0.000 1.059 701 L CA -0.787 53.962 54.840 -0.151 0.000 0.801 701 L CB 1.281 43.294 42.059 -0.077 0.000 1.223 701 L HN 0.641 nan 8.230 nan 0.000 0.456 702 E N -0.355 119.750 120.200 -0.158 0.000 2.145 702 E HA 0.143 4.492 4.350 -0.001 0.000 0.270 702 E C 0.342 176.870 176.600 -0.121 0.000 0.906 702 E CA -0.254 56.061 56.400 -0.142 0.000 0.761 702 E CB 1.767 31.379 29.700 -0.147 0.000 1.116 702 E HN 0.692 nan 8.360 nan 0.000 0.408 703 S N 1.528 117.174 115.700 -0.090 0.000 2.419 703 S HA -0.221 4.248 4.470 -0.001 0.000 0.233 703 S C 1.932 176.493 174.600 -0.065 0.000 1.016 703 S CA 1.492 59.651 58.200 -0.068 0.000 0.974 703 S CB -0.220 62.951 63.200 -0.048 0.000 0.786 703 S HN 0.493 nan 8.310 nan 0.000 0.492 704 S N 2.114 117.774 115.700 -0.066 0.000 2.387 704 S HA 0.049 4.518 4.470 -0.001 0.000 0.226 704 S C 0.721 175.272 174.600 -0.081 0.000 1.026 704 S CA 0.264 58.429 58.200 -0.058 0.000 0.972 704 S CB -0.744 62.430 63.200 -0.043 0.000 0.814 704 S HN 0.663 nan 8.310 nan 0.000 0.477 705 N N 3.369 121.994 118.700 -0.124 0.000 2.976 705 N HA 0.317 5.056 4.740 -0.001 0.000 0.255 705 N C -2.994 172.359 175.510 -0.261 0.000 1.312 705 N CA -1.380 51.563 53.050 -0.178 0.000 0.897 705 N CB 1.418 39.779 38.487 -0.209 0.000 1.184 705 N HN 0.425 nan 8.380 nan 0.000 0.497 706 P HA 0.023 nan 4.420 nan 0.000 0.271 706 P C -1.041 176.166 177.300 -0.155 0.000 1.218 706 P CA 0.170 63.183 63.100 -0.144 0.000 0.780 706 P CB 0.842 32.504 31.700 -0.063 0.000 0.901 707 Y N 0.935 121.203 120.300 -0.053 0.000 2.352 707 Y HA 0.357 4.907 4.550 -0.002 0.000 0.326 707 Y C 1.233 177.100 175.900 -0.056 0.000 1.166 707 Y CA -0.129 57.935 58.100 -0.058 0.000 1.182 707 Y CB 1.373 39.782 38.460 -0.084 0.000 1.216 707 Y HN 0.283 nan 8.280 nan 0.000 0.474 708 K N 2.292 122.793 120.400 0.168 0.000 2.265 708 K HA 0.604 4.923 4.320 -0.001 0.000 0.267 708 K C -1.654 174.919 176.600 -0.045 0.000 0.994 708 K CA -0.462 55.830 56.287 0.009 0.000 0.860 708 K CB 0.704 33.223 32.500 0.032 0.000 1.099 708 K HN 0.479 nan 8.250 nan 0.000 0.448 709 V N 5.365 125.179 119.914 -0.167 0.000 2.481 709 V HA 0.342 4.461 4.120 -0.001 0.000 0.286 709 V C -0.929 175.016 176.094 -0.247 0.000 1.042 709 V CA -0.555 61.663 62.300 -0.136 0.000 0.928 709 V CB 0.604 32.349 31.823 -0.129 0.000 0.986 709 V HN 0.627 nan 8.190 nan 0.000 0.462 710 Y N 2.487 122.810 120.300 0.038 0.000 2.425 710 Y HA 0.685 5.234 4.550 -0.001 0.000 0.344 710 Y C -0.167 175.759 175.900 0.043 0.000 0.969 710 Y CA -0.970 57.174 58.100 0.074 0.000 1.052 710 Y CB 2.210 40.764 38.460 0.157 0.000 1.215 710 Y HN 0.327 nan 8.280 nan 0.000 0.451 711 V N 3.484 123.497 119.914 0.165 0.000 2.444 711 V HA 0.282 4.401 4.120 -0.001 0.000 0.294 711 V C -0.441 175.750 176.094 0.162 0.000 1.022 711 V CA -1.287 61.064 62.300 0.086 0.000 0.850 711 V CB 1.373 33.148 31.823 -0.080 0.000 0.992 711 V HN 0.935 nan 8.190 nan 0.000 0.426 712 N N 3.307 122.119 118.700 0.187 0.000 2.735 712 N HA -0.208 4.531 4.740 -0.001 0.000 0.248 712 N C 0.471 176.079 175.510 0.163 0.000 1.083 712 N CA 1.395 54.547 53.050 0.170 0.000 0.703 712 N CB -1.041 37.524 38.487 0.131 0.000 1.005 712 N HN 1.078 nan 8.380 nan 0.000 0.550 713 D N -2.333 118.190 120.400 0.205 0.000 3.041 713 D HA -0.186 4.453 4.640 -0.001 0.000 0.220 713 D C -0.962 175.495 176.300 0.263 0.000 1.157 713 D CA 1.303 55.405 54.000 0.169 0.000 0.876 713 D CB -0.196 40.637 40.800 0.055 0.000 1.107 713 D HN 0.363 nan 8.370 nan 0.000 0.422 714 K N 0.994 121.570 120.400 0.293 0.000 2.345 714 K HA 0.342 4.661 4.320 -0.001 0.000 0.255 714 K C -0.052 176.666 176.600 0.197 0.000 0.934 714 K CA -0.653 55.781 56.287 0.244 0.000 0.801 714 K CB 1.544 34.132 32.500 0.147 0.000 1.137 714 K HN 0.281 nan 8.250 nan 0.000 0.424 715 E N 1.706 121.948 120.200 0.071 0.000 2.465 715 E HA 0.161 4.510 4.350 -0.001 0.000 0.260 715 E C -0.899 175.648 176.600 -0.089 0.000 0.980 715 E CA -0.017 56.245 56.400 -0.230 0.000 0.927 715 E CB 0.555 30.101 29.700 -0.257 0.000 0.934 715 E HN 0.602 nan 8.360 nan 0.000 0.459 716 A N 3.546 126.296 122.820 -0.117 0.000 2.374 716 A HA 0.489 4.808 4.320 -0.001 0.000 0.317 716 A C -0.873 176.693 177.584 -0.029 0.000 1.094 716 A CA -0.718 51.312 52.037 -0.012 0.000 0.765 716 A CB 2.009 21.007 19.000 -0.002 0.000 1.268 716 A HN 0.504 nan 8.150 nan 0.000 0.438 717 S N 1.755 117.470 115.700 0.025 0.000 2.461 717 S HA 0.463 4.933 4.470 -0.001 0.000 0.322 717 S C -0.235 174.390 174.600 0.042 0.000 1.063 717 S CA -0.346 57.861 58.200 0.011 0.000 1.120 717 S CB 0.016 63.219 63.200 0.006 0.000 0.968 717 S HN 0.530 nan 8.310 nan 0.000 0.467 718 L N 3.436 124.674 121.223 0.024 0.000 2.395 718 L HA 0.522 4.861 4.340 -0.001 0.000 0.269 718 L C 0.950 177.834 176.870 0.023 0.000 1.133 718 L CA -0.370 54.493 54.840 0.038 0.000 0.812 718 L CB 0.878 42.942 42.059 0.008 0.000 1.125 718 L HN 0.592 nan 8.230 nan 0.000 0.452 719 T N -3.152 111.418 114.554 0.026 0.000 2.888 719 T HA 0.203 4.552 4.350 -0.001 0.000 0.288 719 T C 0.575 175.281 174.700 0.010 0.000 1.063 719 T CA -0.803 61.304 62.100 0.012 0.000 1.010 719 T CB 1.898 70.769 68.868 0.006 0.000 1.214 719 T HN 0.667 nan 8.240 nan 0.000 0.533 720 E N -0.086 120.116 120.200 0.004 0.000 2.153 720 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 720 E C 0.768 177.366 176.600 -0.004 0.000 0.988 720 E CA 0.699 57.100 56.400 0.002 0.000 0.811 720 E CB 0.127 29.826 29.700 -0.002 0.000 0.746 720 E HN 0.629 nan 8.360 nan 0.000 0.466 721 Q N 1.420 121.217 119.800 -0.006 0.000 2.286 721 Q HA 0.019 4.358 4.340 -0.001 0.000 0.257 721 Q C -0.787 175.207 176.000 -0.009 0.000 0.941 721 Q CA -0.168 55.627 55.803 -0.013 0.000 0.912 721 Q CB 0.991 29.718 28.738 -0.018 0.000 1.192 721 Q HN 0.080 nan 8.270 nan 0.000 0.410 722 E N 3.358 123.549 120.200 -0.015 0.000 2.415 722 E HA -0.016 4.334 4.350 -0.001 0.000 0.263 722 E C -1.008 175.581 176.600 -0.019 0.000 0.995 722 E CA 0.397 56.791 56.400 -0.010 0.000 0.915 722 E CB 0.575 30.261 29.700 -0.023 0.000 0.951 722 E HN 0.345 nan 8.360 nan 0.000 0.449 723 K N 3.736 124.142 120.400 0.009 0.000 2.270 723 K HA 0.272 4.591 4.320 -0.001 0.000 0.255 723 K C -1.135 175.400 176.600 -0.108 0.000 0.936 723 K CA -0.927 55.314 56.287 -0.077 0.000 0.809 723 K CB 1.383 33.834 32.500 -0.082 0.000 1.131 723 K HN 0.471 nan 8.250 nan 0.000 0.427 724 D N 1.753 122.007 120.400 -0.243 0.000 2.210 724 D HA 0.173 4.813 4.640 -0.001 0.000 0.249 724 D C -0.752 175.300 176.300 -0.414 0.000 1.078 724 D CA 0.081 53.965 54.000 -0.193 0.000 0.875 724 D CB 0.858 41.572 40.800 -0.142 0.000 1.175 724 D HN 0.354 nan 8.370 nan 0.000 0.440 725 Y N 1.688 121.929 120.300 -0.098 0.000 2.749 725 Y HA 0.233 4.782 4.550 -0.001 0.000 0.343 725 Y C -2.042 173.787 175.900 -0.119 0.000 1.015 725 Y CA -1.974 56.068 58.100 -0.096 0.000 1.270 725 Y CB 1.616 40.015 38.460 -0.101 0.000 1.097 725 Y HN 0.105 nan 8.280 nan 0.000 0.571 726 P HA 0.076 nan 4.420 nan 0.000 0.276 726 P C -0.229 177.055 177.300 -0.026 0.000 1.244 726 P CA -0.006 63.070 63.100 -0.040 0.000 0.801 726 P CB 1.141 32.813 31.700 -0.047 0.000 1.006 727 E N -1.823 118.349 120.200 -0.046 0.000 2.389 727 E HA -0.126 4.223 4.350 -0.001 0.000 0.243 727 E C -0.555 176.027 176.600 -0.031 0.000 1.154 727 E CA 0.906 57.288 56.400 -0.030 0.000 0.723 727 E CB -2.746 26.952 29.700 -0.003 0.000 1.261 727 E HN 0.463 nan 8.360 nan 0.000 0.390 728 T N 0.693 115.183 114.554 -0.107 0.000 2.794 728 T HA 0.237 4.586 4.350 -0.001 0.000 0.296 728 T C 1.332 175.983 174.700 -0.083 0.000 0.949 728 T CA -0.029 61.999 62.100 -0.120 0.000 1.101 728 T CB 1.545 70.239 68.868 -0.290 0.000 0.905 728 T HN 0.188 nan 8.240 nan 0.000 0.516 729 Q N 2.563 122.425 119.800 0.105 0.000 2.396 729 Q HA 0.184 4.523 4.340 -0.001 0.000 0.220 729 Q C 0.434 176.705 176.000 0.452 0.000 0.900 729 Q CA 0.199 56.141 55.803 0.231 0.000 0.925 729 Q CB 0.582 29.452 28.738 0.220 0.000 1.065 729 Q HN 0.765 nan 8.270 nan 0.000 0.535 730 S N -2.157 113.808 115.700 0.441 0.000 2.567 730 S HA 0.699 5.168 4.470 -0.001 0.000 0.270 730 S C -1.363 173.505 174.600 0.448 0.000 1.152 730 S CA -0.893 57.647 58.200 0.566 0.000 0.835 730 S CB 1.615 65.166 63.200 0.586 0.000 1.115 730 S HN -0.079 nan 8.310 nan 0.000 0.459 731 V N 2.127 122.322 119.914 0.468 0.000 2.686 731 V HA 0.738 4.858 4.120 -0.001 0.000 0.306 731 V C -1.586 174.651 176.094 0.239 0.000 1.065 731 V CA -0.524 61.940 62.300 0.273 0.000 0.894 731 V CB 1.652 33.550 31.823 0.126 0.000 1.004 731 V HN 0.915 nan 8.190 nan 0.000 0.424 732 F N 5.291 125.237 119.950 -0.008 0.000 2.539 732 F HA 0.686 5.212 4.527 -0.001 0.000 0.318 732 F C -0.840 174.927 175.800 -0.055 0.000 1.135 732 F CA -0.755 57.117 58.000 -0.213 0.000 0.915 732 F CB 1.599 40.417 39.000 -0.305 0.000 1.176 732 F HN 0.308 nan 8.300 nan 0.000 0.440 733 L N 5.669 126.389 121.223 -0.839 0.000 2.262 733 L HA 0.420 4.759 4.340 -0.001 0.000 0.288 733 L C -0.344 176.106 176.870 -0.700 0.000 1.035 733 L CA -0.445 53.974 54.840 -0.701 0.000 0.820 733 L CB 1.331 42.760 42.059 -1.050 0.000 1.204 733 L HN 0.609 nan 8.230 nan 0.000 0.424 734 E N 2.773 122.931 120.200 -0.070 0.000 2.134 734 E HA 0.336 4.685 4.350 -0.001 0.000 0.278 734 E C -0.887 175.886 176.600 0.289 0.000 0.959 734 E CA -0.193 56.314 56.400 0.179 0.000 0.783 734 E CB 1.711 31.734 29.700 0.538 0.000 1.095 734 E HN 0.532 nan 8.360 nan 0.000 0.399 735 S N 2.055 117.867 115.700 0.187 0.000 2.718 735 S HA 0.211 4.680 4.470 -0.001 0.000 0.300 735 S C 1.045 175.666 174.600 0.035 0.000 1.117 735 S CA -0.038 58.169 58.200 0.011 0.000 1.002 735 S CB 1.419 64.551 63.200 -0.115 0.000 1.092 735 S HN 0.592 nan 8.310 nan 0.000 0.542 736 S N 0.771 116.463 115.700 -0.014 0.000 2.481 736 S HA 0.032 4.501 4.470 -0.001 0.000 0.231 736 S C 0.238 174.850 174.600 0.019 0.000 0.996 736 S CA 0.466 58.674 58.200 0.013 0.000 0.942 736 S CB -0.328 62.868 63.200 -0.007 0.000 0.768 736 S HN 0.713 nan 8.310 nan 0.000 0.520 737 D N 1.780 122.182 120.400 0.004 0.000 2.392 737 D HA 0.369 5.008 4.640 -0.001 0.000 0.228 737 D C 1.137 177.463 176.300 0.042 0.000 1.074 737 D CA -0.050 53.962 54.000 0.020 0.000 0.838 737 D CB 1.834 42.636 40.800 0.004 0.000 1.067 737 D HN 0.167 nan 8.370 nan 0.000 0.511 738 S N 3.878 119.615 115.700 0.063 0.000 2.440 738 S HA -0.163 4.306 4.470 -0.001 0.000 0.238 738 S C 1.384 176.029 174.600 0.075 0.000 1.010 738 S CA 0.620 58.870 58.200 0.083 0.000 0.972 738 S CB -0.089 63.163 63.200 0.088 0.000 0.774 738 S HN 0.333 nan 8.310 nan 0.000 0.501 739 K N 1.212 121.654 120.400 0.071 0.000 2.555 739 K HA 0.186 4.505 4.320 -0.001 0.000 0.193 739 K C 0.981 177.626 176.600 0.076 0.000 1.032 739 K CA 0.481 56.819 56.287 0.086 0.000 1.004 739 K CB -0.056 32.503 32.500 0.097 0.000 0.804 739 K HN 0.563 nan 8.250 nan 0.000 0.496 740 K N -0.004 120.429 120.400 0.055 0.000 2.438 740 K HA 0.122 4.441 4.320 -0.001 0.000 0.206 740 K C -0.151 176.509 176.600 0.099 0.000 1.081 740 K CA -0.285 56.041 56.287 0.064 0.000 1.053 740 K CB 0.569 33.072 32.500 0.004 0.000 0.908 740 K HN -0.022 nan 8.250 nan 0.000 0.556 741 N N 1.615 120.327 118.700 0.019 0.000 2.492 741 N HA 0.163 4.903 4.740 -0.001 0.000 0.260 741 N C -0.512 174.802 175.510 -0.326 0.000 1.215 741 N CA 0.471 53.425 53.050 -0.159 0.000 0.923 741 N CB 0.701 39.120 38.487 -0.112 0.000 1.092 741 N HN 0.060 nan 8.380 nan 0.000 0.448 742 I N 0.213 120.408 120.570 -0.625 0.000 2.512 742 I HA 0.418 4.587 4.170 -0.001 0.000 0.287 742 I C 0.400 176.003 176.117 -0.857 0.000 1.069 742 I CA -0.831 60.078 61.300 -0.651 0.000 1.056 742 I CB 2.175 39.825 38.000 -0.585 0.000 1.229 742 I HN 0.382 nan 8.210 nan 0.000 0.429 743 G N 5.180 113.540 108.800 -0.732 0.000 2.448 743 G HA2 0.715 4.674 3.960 -0.001 0.000 0.324 743 G HA3 0.715 4.674 3.960 -0.001 0.000 0.324 743 G C -1.660 173.001 174.900 -0.398 0.000 1.203 743 G CA -0.266 44.396 45.100 -0.729 0.000 0.954 743 G HN 0.315 nan 8.290 nan 0.000 0.480 744 Y N 0.804 121.067 120.300 -0.062 0.000 2.338 744 Y HA 0.505 5.054 4.550 -0.001 0.000 0.333 744 Y C -1.011 174.938 175.900 0.081 0.000 0.968 744 Y CA -2.545 55.500 58.100 -0.092 0.000 1.123 744 Y CB 1.747 39.987 38.460 -0.367 0.000 1.165 744 Y HN 0.457 nan 8.280 nan 0.000 0.452 745 F N 4.864 124.752 119.950 -0.103 0.000 2.402 745 F HA 0.658 5.184 4.527 -0.002 0.000 0.355 745 F C -1.618 173.890 175.800 -0.486 0.000 1.123 745 F CA -2.201 55.698 58.000 -0.168 0.000 1.021 745 F CB 0.482 39.358 39.000 -0.207 0.000 1.160 745 F HN 0.231 nan 8.300 nan 0.000 0.451 746 F N 7.593 127.168 119.950 -0.625 0.000 2.404 746 F HA 0.283 4.809 4.527 -0.001 0.000 0.358 746 F C 0.662 175.856 175.800 -1.010 0.000 1.120 746 F CA -0.447 57.187 58.000 -0.611 0.000 1.144 746 F CB 0.332 39.208 39.000 -0.207 0.000 1.133 746 F HN 0.457 nan 8.300 nan 0.000 0.495 747 F N 1.096 120.721 119.950 -0.542 0.000 2.154 747 F HA -0.160 4.366 4.527 -0.002 0.000 0.301 747 F C 1.025 176.721 175.800 -0.174 0.000 1.087 747 F CA 1.261 59.000 58.000 -0.434 0.000 1.274 747 F CB -0.502 38.399 39.000 -0.165 0.000 1.009 747 F HN 0.202 nan 8.300 nan 0.000 0.485 748 K N -0.311 120.156 120.400 0.112 0.000 2.378 748 K HA 0.277 4.596 4.320 -0.001 0.000 0.252 748 K C -0.491 176.159 176.600 0.084 0.000 0.931 748 K CA -0.756 55.591 56.287 0.101 0.000 0.794 748 K CB 1.702 34.269 32.500 0.111 0.000 1.181 748 K HN -0.179 nan 8.250 nan 0.000 0.425 749 K N 1.484 121.915 120.400 0.052 0.000 2.504 749 K HA 0.035 4.354 4.320 -0.001 0.000 0.278 749 K C -0.431 176.145 176.600 -0.039 0.000 1.025 749 K CA 0.576 56.866 56.287 0.006 0.000 1.093 749 K CB 0.257 32.764 32.500 0.012 0.000 0.873 749 K HN 0.485 nan 8.250 nan 0.000 0.483 750 S N 0.965 116.558 115.700 -0.179 0.000 2.599 750 S HA 0.229 4.699 4.470 -0.001 0.000 0.294 750 S C -0.726 173.714 174.600 -0.267 0.000 1.094 750 S CA -0.889 57.184 58.200 -0.213 0.000 0.931 750 S CB 2.011 65.047 63.200 -0.273 0.000 1.093 750 S HN 0.520 nan 8.310 nan 0.000 0.488 751 S N 1.982 117.582 115.700 -0.167 0.000 2.410 751 S HA 0.614 5.084 4.470 -0.001 0.000 0.304 751 S C -0.258 174.241 174.600 -0.169 0.000 1.095 751 S CA -0.768 57.349 58.200 -0.138 0.000 1.089 751 S CB -1.023 62.131 63.200 -0.077 0.000 0.968 751 S HN 0.575 nan 8.310 nan 0.000 0.480 752 I N 2.040 122.502 120.570 -0.181 0.000 3.206 752 I HA 0.889 5.058 4.170 -0.001 0.000 0.313 752 I C -0.574 175.518 176.117 -0.042 0.000 1.103 752 I CA -1.010 60.189 61.300 -0.168 0.000 0.985 752 I CB 2.336 40.161 38.000 -0.291 0.000 1.240 752 I HN 0.551 nan 8.210 nan 0.000 0.464 753 S N 2.805 118.481 115.700 -0.042 0.000 2.548 753 S HA 0.813 5.282 4.470 -0.001 0.000 0.286 753 S C -0.859 173.749 174.600 0.013 0.000 1.098 753 S CA -0.825 57.397 58.200 0.037 0.000 0.930 753 S CB 1.863 65.052 63.200 -0.019 0.000 1.070 753 S HN 0.744 nan 8.310 nan 0.000 0.480 754 M N 2.165 121.821 119.600 0.093 0.000 2.550 754 M HA 0.659 5.138 4.480 -0.001 0.000 0.292 754 M C -1.075 175.251 176.300 0.043 0.000 1.221 754 M CA -0.508 54.795 55.300 0.006 0.000 0.873 754 M CB 2.747 35.284 32.600 -0.104 0.000 1.727 754 M HN 1.046 nan 8.290 nan 0.000 0.459 755 S N 0.969 116.669 115.700 -0.000 0.000 2.565 755 S HA 0.666 5.135 4.470 -0.001 0.000 0.269 755 S C -1.537 173.067 174.600 0.006 0.000 1.153 755 S CA -1.031 57.176 58.200 0.011 0.000 0.835 755 S CB 2.663 65.864 63.200 0.003 0.000 1.122 755 S HN 0.749 nan 8.310 nan 0.000 0.462 756 K N 0.878 121.287 120.400 0.015 0.000 2.545 756 K HA 0.748 5.067 4.320 -0.001 0.000 0.252 756 K C -1.193 175.424 176.600 0.029 0.000 0.948 756 K CA -0.526 55.776 56.287 0.024 0.000 0.827 756 K CB 1.353 33.862 32.500 0.015 0.000 1.128 756 K HN 1.073 nan 8.250 nan 0.000 0.429 757 A N 4.326 127.176 122.820 0.050 0.000 2.572 757 A HA 0.505 4.824 4.320 -0.001 0.000 0.295 757 A C -1.402 176.224 177.584 0.071 0.000 1.072 757 A CA -0.861 51.201 52.037 0.042 0.000 0.691 757 A CB 1.064 20.076 19.000 0.021 0.000 1.291 757 A HN 0.687 nan 8.150 nan 0.000 0.404 758 L N 1.584 122.834 121.223 0.045 0.000 2.360 758 L HA 0.314 4.654 4.340 -0.001 0.000 0.276 758 L C 0.056 176.957 176.870 0.052 0.000 1.121 758 L CA 0.139 55.011 54.840 0.053 0.000 0.845 758 L CB 0.736 42.808 42.059 0.022 0.000 1.143 758 L HN 0.723 nan 8.230 nan 0.000 0.452 759 Q N 4.152 124.007 119.800 0.091 0.000 2.331 759 Q HA 0.449 4.788 4.340 -0.001 0.000 0.267 759 Q C -1.120 174.883 176.000 0.005 0.000 1.006 759 Q CA -0.754 55.059 55.803 0.017 0.000 0.818 759 Q CB 2.725 31.420 28.738 -0.071 0.000 1.276 759 Q HN 0.475 nan 8.270 nan 0.000 0.450 760 K N 0.744 121.127 120.400 -0.028 0.000 2.156 760 K HA 0.871 5.190 4.320 -0.001 0.000 0.250 760 K C -0.280 176.281 176.600 -0.065 0.000 0.955 760 K CA -0.764 55.503 56.287 -0.033 0.000 0.855 760 K CB 1.906 34.395 32.500 -0.018 0.000 1.101 760 K HN 0.747 nan 8.250 nan 0.000 0.434 761 G N -0.301 108.455 108.800 -0.073 0.000 2.356 761 G HA2 0.551 4.511 3.960 -0.001 0.000 0.294 761 G HA3 0.551 4.511 3.960 -0.001 0.000 0.294 761 G C -2.016 172.827 174.900 -0.096 0.000 1.423 761 G CA -0.650 44.391 45.100 -0.097 0.000 0.806 761 G HN 0.629 nan 8.290 nan 0.000 0.527 762 A N -1.103 121.666 122.820 -0.085 0.000 2.413 762 A HA 0.675 4.994 4.320 -0.001 0.000 0.307 762 A C 0.191 177.755 177.584 -0.034 0.000 1.087 762 A CA -0.649 51.374 52.037 -0.023 0.000 0.750 762 A CB 0.939 19.963 19.000 0.040 0.000 1.296 762 A HN 0.874 nan 8.150 nan 0.000 0.423 763 W N 0.826 122.134 121.300 0.014 0.000 2.350 763 W HA -0.091 4.569 4.660 -0.001 0.000 0.289 763 W C 2.075 178.590 176.519 -0.007 0.000 1.215 763 W CA 1.707 59.060 57.345 0.014 0.000 1.236 763 W CB 0.236 29.711 29.460 0.024 0.000 1.130 763 W HN 0.806 nan 8.180 nan 0.000 0.541 764 K N 0.509 121.028 120.400 0.198 0.000 2.209 764 K HA -0.184 4.135 4.320 -0.001 0.000 0.204 764 K C 1.261 177.891 176.600 0.050 0.000 1.048 764 K CA 1.654 58.006 56.287 0.108 0.000 0.940 764 K CB -0.197 32.349 32.500 0.077 0.000 0.729 764 K HN 0.014 nan 8.250 nan 0.000 0.451 765 D N 0.679 121.090 120.400 0.017 0.000 2.178 765 D HA -0.165 4.474 4.640 -0.001 0.000 0.201 765 D C 1.705 177.963 176.300 -0.069 0.000 0.980 765 D CA 1.435 55.416 54.000 -0.031 0.000 0.842 765 D CB -0.001 40.761 40.800 -0.064 0.000 0.948 765 D HN 0.554 nan 8.370 nan 0.000 0.472 766 I N -3.694 116.839 120.570 -0.062 0.000 4.018 766 I HA 0.240 4.409 4.170 -0.001 0.000 0.337 766 I C 0.093 176.187 176.117 -0.038 0.000 1.327 766 I CA -0.191 61.043 61.300 -0.109 0.000 1.100 766 I CB 0.427 38.346 38.000 -0.134 0.000 1.025 766 I HN -0.262 nan 8.210 nan 0.000 0.396 767 N N 1.874 120.596 118.700 0.037 0.000 2.629 767 N HA 0.071 4.810 4.740 -0.001 0.000 0.277 767 N C 0.470 176.016 175.510 0.059 0.000 1.188 767 N CA -0.073 53.011 53.050 0.058 0.000 0.835 767 N CB 1.333 39.880 38.487 0.100 0.000 1.420 767 N HN -0.015 nan 8.380 nan 0.000 0.542 768 E N 2.151 122.378 120.200 0.046 0.000 2.169 768 E HA -0.134 4.215 4.350 -0.001 0.000 0.202 768 E C 1.251 177.871 176.600 0.034 0.000 1.016 768 E CA 1.529 57.954 56.400 0.041 0.000 0.817 768 E CB -0.035 29.692 29.700 0.044 0.000 0.736 768 E HN 0.763 nan 8.360 nan 0.000 0.462 769 G N 0.297 109.112 108.800 0.025 0.000 2.920 769 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.208 769 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.208 769 G C 0.771 175.677 174.900 0.010 0.000 1.159 769 G CA -0.125 44.981 45.100 0.011 0.000 0.784 769 G HN 0.045 nan 8.290 nan 0.000 0.535 770 Q N 0.050 119.872 119.800 0.036 0.000 2.169 770 Q HA 0.348 4.687 4.340 -0.001 0.000 0.234 770 Q C 0.069 176.110 176.000 0.067 0.000 0.980 770 Q CA -0.451 55.380 55.803 0.046 0.000 0.941 770 Q CB 1.106 29.919 28.738 0.126 0.000 1.199 770 Q HN 0.103 nan 8.270 nan 0.000 0.496 771 S N 0.762 116.504 115.700 0.070 0.000 2.562 771 S HA -0.019 4.450 4.470 -0.001 0.000 0.281 771 S C 0.317 174.989 174.600 0.120 0.000 1.333 771 S CA -0.320 57.927 58.200 0.078 0.000 1.052 771 S CB 0.223 63.462 63.200 0.065 0.000 0.884 771 S HN 0.553 nan 8.310 nan 0.000 0.506 772 D N 2.722 123.168 120.400 0.077 0.000 2.328 772 D HA 0.047 4.686 4.640 -0.001 0.000 0.226 772 D C 0.384 176.725 176.300 0.069 0.000 1.066 772 D CA -0.081 53.960 54.000 0.069 0.000 0.861 772 D CB -0.012 40.813 40.800 0.041 0.000 0.912 772 D HN 0.231 nan 8.370 nan 0.000 0.521 773 K N 1.857 122.309 120.400 0.087 0.000 2.451 773 K HA -0.050 4.269 4.320 -0.001 0.000 0.280 773 K C 0.002 176.654 176.600 0.088 0.000 1.020 773 K CA -0.029 56.307 56.287 0.081 0.000 1.008 773 K CB 0.416 32.970 32.500 0.090 0.000 0.917 773 K HN 0.317 nan 8.250 nan 0.000 0.478 774 E N 2.965 123.198 120.200 0.056 0.000 2.376 774 E HA 0.092 4.441 4.350 -0.001 0.000 0.266 774 E C -0.928 175.700 176.600 0.048 0.000 1.009 774 E CA -0.393 56.030 56.400 0.039 0.000 0.902 774 E CB 0.729 30.443 29.700 0.022 0.000 0.972 774 E HN 0.217 nan 8.360 nan 0.000 0.439 775 V N 4.147 124.076 119.914 0.026 0.000 2.864 775 V HA 0.431 4.550 4.120 -0.001 0.000 0.314 775 V C -0.487 175.606 176.094 -0.001 0.000 1.073 775 V CA -0.656 61.661 62.300 0.028 0.000 0.956 775 V CB 1.768 33.597 31.823 0.009 0.000 1.023 775 V HN 0.855 nan 8.190 nan 0.000 0.435 776 E N 2.399 122.606 120.200 0.011 0.000 2.343 776 E HA 0.620 4.969 4.350 -0.001 0.000 0.278 776 E C -1.757 174.848 176.600 0.010 0.000 0.910 776 E CA -0.998 55.409 56.400 0.011 0.000 0.757 776 E CB 2.609 32.316 29.700 0.010 0.000 1.218 776 E HN 0.546 nan 8.360 nan 0.000 0.435 777 N N 1.197 119.918 118.700 0.035 0.000 2.484 777 N HA 0.188 4.927 4.740 -0.001 0.000 0.269 777 N C -1.663 173.842 175.510 -0.009 0.000 1.237 777 N CA -0.646 52.374 53.050 -0.051 0.000 0.838 777 N CB 2.475 40.864 38.487 -0.164 0.000 1.593 777 N HN 0.715 nan 8.380 nan 0.000 0.485 778 E N 0.941 121.049 120.200 -0.153 0.000 2.216 778 E HA 0.488 4.837 4.350 -0.001 0.000 0.279 778 E C -1.240 175.229 176.600 -0.218 0.000 0.997 778 E CA -0.286 56.076 56.400 -0.063 0.000 0.817 778 E CB 0.742 30.405 29.700 -0.062 0.000 1.096 778 E HN 0.270 nan 8.360 nan 0.000 0.393 779 F N 2.997 122.912 119.950 -0.058 0.000 2.563 779 F HA 0.404 4.930 4.527 -0.002 0.000 0.316 779 F C -0.493 175.283 175.800 -0.039 0.000 1.076 779 F CA -0.866 57.102 58.000 -0.054 0.000 0.921 779 F CB 1.578 40.524 39.000 -0.090 0.000 1.209 779 F HN 0.357 nan 8.300 nan 0.000 0.462 780 L N 2.529 123.841 121.223 0.148 0.000 2.280 780 L HA 0.598 4.937 4.340 -0.001 0.000 0.287 780 L C -0.837 176.056 176.870 0.039 0.000 1.023 780 L CA 0.022 54.892 54.840 0.051 0.000 0.819 780 L CB 0.924 42.977 42.059 -0.011 0.000 1.212 780 L HN 0.633 nan 8.230 nan 0.000 0.420 781 T N 6.076 120.632 114.554 0.003 0.000 2.797 781 T HA 0.589 4.938 4.350 -0.001 0.000 0.279 781 T C -0.282 174.364 174.700 -0.089 0.000 0.991 781 T CA -0.240 61.841 62.100 -0.032 0.000 0.979 781 T CB 1.310 70.160 68.868 -0.031 0.000 0.943 781 T HN 0.372 nan 8.240 nan 0.000 0.444 782 I N 2.372 122.861 120.570 -0.135 0.000 2.466 782 I HA 0.507 4.676 4.170 -0.001 0.000 0.289 782 I C -0.154 175.854 176.117 -0.182 0.000 1.026 782 I CA -0.579 60.597 61.300 -0.206 0.000 1.078 782 I CB 1.942 39.718 38.000 -0.373 0.000 1.249 782 I HN 0.548 nan 8.210 nan 0.000 0.429 783 S N 4.650 120.254 115.700 -0.159 0.000 2.595 783 S HA 0.514 4.983 4.470 -0.001 0.000 0.281 783 S C -1.060 173.440 174.600 -0.166 0.000 1.117 783 S CA -0.788 57.324 58.200 -0.147 0.000 0.873 783 S CB 2.504 65.639 63.200 -0.107 0.000 1.108 783 S HN 0.630 nan 8.310 nan 0.000 0.477 784 Q N 1.128 120.812 119.800 -0.193 0.000 2.303 784 Q HA 0.654 4.994 4.340 -0.001 0.000 0.267 784 Q C -1.013 174.728 176.000 -0.432 0.000 1.011 784 Q CA -0.657 55.008 55.803 -0.230 0.000 0.740 784 Q CB 1.419 30.084 28.738 -0.122 0.000 1.250 784 Q HN 0.876 nan 8.270 nan 0.000 0.458 785 A N 3.444 126.076 122.820 -0.313 0.000 2.407 785 A HA 0.333 4.652 4.320 -0.001 0.000 0.248 785 A C -0.858 176.512 177.584 -0.358 0.000 1.082 785 A CA -0.093 51.758 52.037 -0.311 0.000 0.785 785 A CB 0.307 19.228 19.000 -0.133 0.000 1.020 785 A HN 0.803 nan 8.150 nan 0.000 0.489 786 H N 2.061 121.163 119.070 0.052 0.000 2.675 786 H HA 0.241 4.796 4.556 -0.001 0.000 0.258 786 H C -0.082 175.271 175.328 0.043 0.000 1.271 786 H CA -0.443 55.643 56.048 0.063 0.000 1.462 786 H CB 0.912 30.731 29.762 0.095 0.000 1.467 786 H HN 0.785 nan 8.280 nan 0.000 0.501 787 K N 0.745 121.213 120.400 0.114 0.000 2.426 787 K HA 0.073 4.393 4.320 -0.001 0.000 0.193 787 K C 0.257 176.893 176.600 0.059 0.000 1.028 787 K CA 0.301 56.628 56.287 0.067 0.000 1.047 787 K CB 0.674 33.193 32.500 0.033 0.000 0.821 787 K HN 0.358 nan 8.250 nan 0.000 0.513 788 Q N 0.480 120.323 119.800 0.071 0.000 2.423 788 Q HA 0.257 4.597 4.340 -0.001 0.000 0.278 788 Q C -0.913 175.107 176.000 0.033 0.000 1.097 788 Q CA -0.773 55.055 55.803 0.042 0.000 0.809 788 Q CB 1.366 30.122 28.738 0.031 0.000 1.391 788 Q HN -0.003 nan 8.270 nan 0.000 0.428 789 N N 0.215 118.923 118.700 0.013 0.000 2.492 789 N HA 0.257 4.996 4.740 -0.001 0.000 0.260 789 N C 0.977 176.474 175.510 -0.022 0.000 1.215 789 N CA 1.381 54.427 53.050 -0.006 0.000 0.923 789 N CB 0.691 39.170 38.487 -0.013 0.000 1.092 789 N HN 0.891 nan 8.380 nan 0.000 0.448 790 G N 0.943 109.714 108.800 -0.048 0.000 2.157 790 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.248 790 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.248 790 G C -0.037 174.825 174.900 -0.062 0.000 0.979 790 G CA -0.144 44.915 45.100 -0.068 0.000 0.650 790 G HN 0.564 nan 8.290 nan 0.000 0.529 791 D N 0.707 121.080 120.400 -0.045 0.000 2.369 791 D HA 0.598 5.237 4.640 -0.001 0.000 0.241 791 D C 0.965 177.210 176.300 -0.093 0.000 1.271 791 D CA 1.195 55.182 54.000 -0.021 0.000 0.942 791 D CB 1.230 42.062 40.800 0.053 0.000 1.129 791 D HN 0.866 nan 8.370 nan 0.000 0.476 792 S N -0.834 114.845 115.700 -0.035 0.000 2.615 792 S HA 0.683 5.152 4.470 -0.001 0.000 0.269 792 S C -1.467 173.207 174.600 0.122 0.000 1.161 792 S CA -1.006 57.142 58.200 -0.087 0.000 0.817 792 S CB 1.403 64.546 63.200 -0.096 0.000 1.131 792 S HN 0.491 nan 8.310 nan 0.000 0.467 793 Y N -1.840 118.541 120.300 0.134 0.000 2.588 793 Y HA 0.927 5.476 4.550 -0.002 0.000 0.343 793 Y C -0.453 175.595 175.900 0.247 0.000 1.065 793 Y CA -0.814 57.455 58.100 0.281 0.000 1.038 793 Y CB 1.277 39.991 38.460 0.424 0.000 1.297 793 Y HN 1.291 nan 8.280 nan 0.000 0.467 794 G N 1.906 111.068 108.800 0.602 0.000 2.552 794 G HA2 0.532 4.491 3.960 -0.001 0.000 0.288 794 G HA3 0.532 4.491 3.960 -0.001 0.000 0.288 794 G C -2.289 172.892 174.900 0.469 0.000 1.358 794 G CA -0.732 44.658 45.100 0.484 0.000 1.305 794 G HN 1.195 nan 8.290 nan 0.000 0.602 795 Y N -0.309 120.114 120.300 0.205 0.000 2.624 795 Y HA 0.836 5.385 4.550 -0.001 0.000 0.334 795 Y C -1.052 174.706 175.900 -0.236 0.000 1.155 795 Y CA -2.019 55.800 58.100 -0.470 0.000 1.046 795 Y CB 1.859 39.881 38.460 -0.731 0.000 1.316 795 Y HN 0.560 nan 8.280 nan 0.000 0.457 796 M N 3.336 122.771 119.600 -0.275 0.000 2.227 796 M HA 0.554 5.034 4.480 -0.001 0.000 0.335 796 M C -1.986 174.380 176.300 0.110 0.000 1.053 796 M CA -1.059 54.268 55.300 0.045 0.000 0.973 796 M CB 1.430 34.071 32.600 0.069 0.000 1.623 796 M HN 0.761 nan 8.290 nan 0.000 0.434 797 L N 7.273 128.578 121.223 0.136 0.000 2.260 797 L HA 0.607 4.946 4.340 -0.001 0.000 0.289 797 L C -1.505 175.290 176.870 -0.125 0.000 1.057 797 L CA 0.337 55.115 54.840 -0.104 0.000 0.811 797 L CB 0.189 42.216 42.059 -0.053 0.000 1.184 797 L HN 0.730 nan 8.230 nan 0.000 0.429 798 I N 8.396 128.870 120.570 -0.159 0.000 2.437 798 I HA 0.414 4.583 4.170 -0.001 0.000 0.279 798 I C -2.320 173.673 176.117 -0.206 0.000 1.028 798 I CA -1.494 59.752 61.300 -0.090 0.000 1.142 798 I CB 1.487 39.586 38.000 0.164 0.000 1.266 798 I HN 0.519 nan 8.210 nan 0.000 0.461 799 P HA 0.386 nan 4.420 nan 0.000 0.285 799 P C -0.661 176.523 177.300 -0.194 0.000 1.285 799 P CA -0.511 62.365 63.100 -0.372 0.000 0.854 799 P CB 1.090 32.427 31.700 -0.605 0.000 1.180 800 N N -2.618 116.032 118.700 -0.084 0.000 2.725 800 N HA -0.116 4.623 4.740 -0.001 0.000 0.249 800 N C -0.105 175.455 175.510 0.083 0.000 1.103 800 N CA 1.291 54.365 53.050 0.040 0.000 0.707 800 N CB -2.224 36.339 38.487 0.127 0.000 1.043 800 N HN 0.415 nan 8.380 nan 0.000 0.553 801 V N -3.439 116.541 119.914 0.111 0.000 2.914 801 V HA 0.812 4.931 4.120 -0.001 0.000 0.314 801 V C 0.345 176.567 176.094 0.213 0.000 1.084 801 V CA -1.214 61.169 62.300 0.138 0.000 0.963 801 V CB 2.351 34.256 31.823 0.136 0.000 1.025 801 V HN 0.153 nan 8.190 nan 0.000 0.432 802 D N 1.726 122.209 120.400 0.138 0.000 2.398 802 D HA 0.230 4.869 4.640 -0.001 0.000 0.247 802 D C 1.156 177.423 176.300 -0.055 0.000 1.227 802 D CA -0.349 53.732 54.000 0.136 0.000 0.980 802 D CB 0.786 41.624 40.800 0.064 0.000 1.106 802 D HN 0.678 nan 8.370 nan 0.000 0.493 803 R N -0.037 120.311 120.500 -0.253 0.000 2.094 803 R HA -0.223 4.116 4.340 -0.001 0.000 0.239 803 R C 2.014 178.064 176.300 -0.418 0.000 1.137 803 R CA 1.871 57.522 56.100 -0.750 0.000 0.943 803 R CB -0.742 29.208 30.300 -0.583 0.000 0.850 803 R HN 0.596 nan 8.270 nan 0.000 0.433 804 A N -0.216 122.466 122.820 -0.230 0.000 1.902 804 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 804 A C 2.184 179.682 177.584 -0.144 0.000 1.181 804 A CA 2.062 54.000 52.037 -0.165 0.000 0.623 804 A CB -0.818 18.119 19.000 -0.105 0.000 0.818 804 A HN 0.493 nan 8.150 nan 0.000 0.443 805 T N -0.912 113.580 114.554 -0.103 0.000 2.821 805 T HA -0.088 4.261 4.350 -0.001 0.000 0.267 805 T C 1.587 176.240 174.700 -0.078 0.000 1.046 805 T CA 1.420 63.478 62.100 -0.071 0.000 1.139 805 T CB -0.358 68.500 68.868 -0.017 0.000 0.871 805 T HN 0.503 nan 8.240 nan 0.000 0.454 806 F N 3.109 122.906 119.950 -0.255 0.000 2.102 806 F HA -0.097 4.429 4.527 -0.002 0.000 0.298 806 F C 1.997 177.631 175.800 -0.277 0.000 1.105 806 F CA 1.061 58.904 58.000 -0.262 0.000 1.239 806 F CB -0.504 38.239 39.000 -0.429 0.000 0.991 806 F HN 0.033 nan 8.300 nan 0.000 0.474 807 N N 0.440 118.914 118.700 -0.377 0.000 2.166 807 N HA -0.207 4.532 4.740 -0.001 0.000 0.186 807 N C 1.815 177.097 175.510 -0.380 0.000 1.019 807 N CA 1.377 54.174 53.050 -0.423 0.000 0.856 807 N CB -0.570 37.766 38.487 -0.251 0.000 0.993 807 N HN 0.410 nan 8.380 nan 0.000 0.426 808 Q N 0.690 120.320 119.800 -0.282 0.000 2.083 808 Q HA 0.113 4.453 4.340 -0.001 0.000 0.198 808 Q C 2.026 177.863 176.000 -0.273 0.000 0.969 808 Q CA 1.179 56.846 55.803 -0.227 0.000 0.838 808 Q CB -0.122 28.523 28.738 -0.155 0.000 0.900 808 Q HN 0.323 nan 8.270 nan 0.000 0.436 809 M N -0.000 119.417 119.600 -0.305 0.000 2.117 809 M HA -0.128 4.351 4.480 -0.001 0.000 0.262 809 M C 2.054 178.072 176.300 -0.470 0.000 1.065 809 M CA 1.573 56.686 55.300 -0.311 0.000 1.114 809 M CB -0.528 31.929 32.600 -0.238 0.000 1.361 809 M HN 0.433 nan 8.290 nan 0.000 0.408 810 I N -1.953 118.174 120.570 -0.738 0.000 2.493 810 I HA -0.211 3.958 4.170 -0.001 0.000 0.254 810 I C 1.949 177.578 176.117 -0.813 0.000 1.160 810 I CA 1.381 61.996 61.300 -1.142 0.000 1.445 810 I CB -0.567 36.555 38.000 -1.464 0.000 1.086 810 I HN 0.185 nan 8.210 nan 0.000 0.433 811 K N 1.418 121.532 120.400 -0.478 0.000 2.155 811 K HA -0.067 4.252 4.320 -0.001 0.000 0.203 811 K C 1.923 178.401 176.600 -0.203 0.000 1.052 811 K CA 1.362 57.483 56.287 -0.276 0.000 0.948 811 K CB -0.071 32.310 32.500 -0.199 0.000 0.728 811 K HN 0.533 nan 8.250 nan 0.000 0.448 812 E N 0.777 120.846 120.200 -0.219 0.000 2.150 812 E HA -0.100 4.249 4.350 -0.001 0.000 0.193 812 E C 1.454 177.980 176.600 -0.124 0.000 0.985 812 E CA 0.707 57.016 56.400 -0.151 0.000 0.814 812 E CB 0.033 29.642 29.700 -0.152 0.000 0.752 812 E HN 0.213 nan 8.360 nan 0.000 0.466 813 L N 1.040 122.162 121.223 -0.168 0.000 2.629 813 L HA 0.049 4.388 4.340 -0.001 0.000 0.230 813 L C 1.938 178.904 176.870 0.160 0.000 1.151 813 L CA -0.188 54.641 54.840 -0.018 0.000 0.924 813 L CB 0.075 42.131 42.059 -0.004 0.000 1.137 813 L HN 0.006 nan 8.230 nan 0.000 0.457 814 E N 1.110 121.348 120.200 0.063 0.000 2.147 814 E HA -0.206 4.144 4.350 -0.001 0.000 0.199 814 E C 1.285 178.027 176.600 0.237 0.000 1.005 814 E CA 1.537 58.053 56.400 0.194 0.000 0.810 814 E CB 0.074 29.824 29.700 0.082 0.000 0.736 814 E HN 0.242 nan 8.360 nan 0.000 0.460 815 S N -0.836 114.957 115.700 0.156 0.000 2.624 815 S HA 0.103 4.572 4.470 -0.001 0.000 0.246 815 S C 1.035 175.702 174.600 0.112 0.000 1.072 815 S CA 0.243 58.520 58.200 0.128 0.000 1.045 815 S CB 0.492 63.748 63.200 0.095 0.000 0.851 815 S HN 0.359 nan 8.310 nan 0.000 0.480 816 S N 0.878 116.658 115.700 0.134 0.000 2.428 816 S HA 0.079 4.549 4.470 -0.001 0.000 0.230 816 S C 0.629 175.145 174.600 -0.139 0.000 1.014 816 S CA 0.016 58.248 58.200 0.053 0.000 0.957 816 S CB -0.405 62.874 63.200 0.131 0.000 0.784 816 S HN 0.424 nan 8.310 nan 0.000 0.499 817 L N 2.579 123.622 121.223 -0.299 0.000 2.385 817 L HA 0.303 4.642 4.340 -0.001 0.000 0.281 817 L C 0.742 177.475 176.870 -0.228 0.000 1.106 817 L CA -0.207 54.316 54.840 -0.529 0.000 0.856 817 L CB -0.014 41.648 42.059 -0.662 0.000 1.186 817 L HN 0.083 nan 8.230 nan 0.000 0.453 818 I N 2.526 122.983 120.570 -0.189 0.000 2.494 818 I HA 0.176 4.345 4.170 -0.001 0.000 0.250 818 I C 0.625 176.682 176.117 -0.099 0.000 1.112 818 I CA 0.699 61.949 61.300 -0.083 0.000 1.438 818 I CB -0.652 37.344 38.000 -0.007 0.000 1.111 818 I HN 0.694 nan 8.210 nan 0.000 0.431 819 E N 0.265 120.386 120.200 -0.132 0.000 2.388 819 E HA 0.300 4.649 4.350 -0.001 0.000 0.281 819 E C -1.023 175.511 176.600 -0.111 0.000 1.046 819 E CA -0.468 55.874 56.400 -0.097 0.000 0.825 819 E CB 1.154 30.821 29.700 -0.055 0.000 1.243 819 E HN 0.138 nan 8.360 nan 0.000 0.438 820 N N 3.072 121.722 118.700 -0.084 0.000 2.732 820 N HA 0.186 4.925 4.740 -0.001 0.000 0.235 820 N C -1.381 174.087 175.510 -0.069 0.000 1.466 820 N CA -0.236 52.765 53.050 -0.082 0.000 0.751 820 N CB -0.048 38.371 38.487 -0.113 0.000 1.317 820 N HN 0.516 nan 8.380 nan 0.000 0.525 821 N N -0.155 118.517 118.700 -0.047 0.000 3.091 821 N HA 0.200 4.939 4.740 -0.001 0.000 0.329 821 N C 0.939 176.406 175.510 -0.072 0.000 1.430 821 N CA -0.581 52.431 53.050 -0.062 0.000 0.755 821 N CB 0.205 38.665 38.487 -0.044 0.000 1.626 821 N HN 0.048 nan 8.380 nan 0.000 0.614 822 E N -1.240 118.898 120.200 -0.104 0.000 2.472 822 E HA -0.120 4.229 4.350 -0.001 0.000 0.200 822 E C 0.422 177.015 176.600 -0.011 0.000 1.046 822 E CA 1.757 58.063 56.400 -0.158 0.000 0.871 822 E CB -0.846 28.746 29.700 -0.179 0.000 0.806 822 E HN 0.812 nan 8.360 nan 0.000 0.533 823 T N -2.564 112.021 114.554 0.051 0.000 2.966 823 T HA 0.353 4.702 4.350 -0.001 0.000 0.254 823 T C 0.269 175.089 174.700 0.200 0.000 0.961 823 T CA -0.329 61.856 62.100 0.142 0.000 0.915 823 T CB 0.220 69.144 68.868 0.093 0.000 1.186 823 T HN 0.074 nan 8.240 nan 0.000 0.505 824 L N 1.433 122.739 121.223 0.139 0.000 2.464 824 L HA 0.640 4.980 4.340 -0.001 0.000 0.266 824 L C -1.939 175.006 176.870 0.126 0.000 0.965 824 L CA -0.487 54.443 54.840 0.149 0.000 0.833 824 L CB 2.373 44.477 42.059 0.075 0.000 1.296 824 L HN 0.156 nan 8.230 nan 0.000 0.405 825 Q N 3.018 122.937 119.800 0.199 0.000 2.304 825 Q HA 0.756 5.095 4.340 -0.001 0.000 0.270 825 Q C -1.494 174.635 176.000 0.214 0.000 1.035 825 Q CA -0.639 55.271 55.803 0.178 0.000 0.781 825 Q CB 2.384 31.300 28.738 0.297 0.000 1.261 825 Q HN 0.643 nan 8.270 nan 0.000 0.444 826 S N 1.571 117.238 115.700 -0.055 0.000 2.535 826 S HA 0.680 5.149 4.470 -0.001 0.000 0.272 826 S C -1.684 172.679 174.600 -0.394 0.000 1.149 826 S CA -0.478 57.667 58.200 -0.092 0.000 0.888 826 S CB 1.600 64.855 63.200 0.092 0.000 1.110 826 S HN 0.308 nan 8.310 nan 0.000 0.463 827 V N 4.474 124.114 119.914 -0.455 0.000 2.735 827 V HA 0.590 4.709 4.120 -0.001 0.000 0.310 827 V C -1.399 174.701 176.094 0.010 0.000 1.061 827 V CA -0.711 61.355 62.300 -0.389 0.000 0.913 827 V CB 1.834 33.272 31.823 -0.642 0.000 1.005 827 V HN 0.870 nan 8.190 nan 0.000 0.428 828 Y N 2.954 123.165 120.300 -0.149 0.000 2.364 828 Y HA 0.599 5.148 4.550 -0.002 0.000 0.340 828 Y C -0.519 175.249 175.900 -0.219 0.000 0.975 828 Y CA -1.415 56.536 58.100 -0.247 0.000 1.089 828 Y CB 1.768 40.054 38.460 -0.289 0.000 1.192 828 Y HN 0.696 nan 8.280 nan 0.000 0.454 829 D N 5.012 124.985 120.400 -0.712 0.000 2.485 829 D HA 0.343 4.982 4.640 -0.001 0.000 0.229 829 D C 0.617 176.271 176.300 -1.077 0.000 1.101 829 D CA 0.250 53.868 54.000 -0.635 0.000 0.906 829 D CB 1.286 41.908 40.800 -0.296 0.000 1.019 829 D HN 0.811 nan 8.370 nan 0.000 0.516 830 A N 4.435 126.544 122.820 -1.185 0.000 1.972 830 A HA -0.184 4.136 4.320 -0.001 0.000 0.219 830 A C 2.021 179.358 177.584 -0.412 0.000 1.169 830 A CA 1.332 52.819 52.037 -0.917 0.000 0.635 830 A CB -0.225 18.517 19.000 -0.431 0.000 0.810 830 A HN 0.552 nan 8.150 nan 0.000 0.446 831 K N -0.704 119.510 120.400 -0.309 0.000 2.097 831 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 831 K C 2.144 178.652 176.600 -0.153 0.000 1.049 831 K CA 1.647 57.827 56.287 -0.178 0.000 0.933 831 K CB -0.136 32.281 32.500 -0.139 0.000 0.717 831 K HN 0.624 nan 8.250 nan 0.000 0.442 832 Q N -1.283 118.404 119.800 -0.189 0.000 2.302 832 Q HA 0.067 4.406 4.340 -0.001 0.000 0.202 832 Q C 0.523 176.456 176.000 -0.111 0.000 0.936 832 Q CA 0.670 56.399 55.803 -0.123 0.000 0.886 832 Q CB 0.763 29.441 28.738 -0.101 0.000 0.986 832 Q HN 0.570 nan 8.270 nan 0.000 0.487 833 G N 1.050 109.721 108.800 -0.214 0.000 2.212 833 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.255 833 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.255 833 G C -0.349 174.507 174.900 -0.073 0.000 1.062 833 G CA 0.037 45.064 45.100 -0.122 0.000 0.815 833 G HN 0.170 nan 8.290 nan 0.000 0.497 834 V N 0.680 120.487 119.914 -0.178 0.000 2.604 834 V HA 0.761 4.880 4.120 -0.001 0.000 0.305 834 V C -0.014 176.141 176.094 0.101 0.000 1.043 834 V CA -1.040 61.297 62.300 0.061 0.000 0.888 834 V CB 1.811 33.674 31.823 0.067 0.000 0.995 834 V HN 0.330 nan 8.190 nan 0.000 0.429 835 W N 1.951 123.479 121.300 0.380 0.000 2.666 835 W HA 0.710 5.369 4.660 -0.002 0.000 0.334 835 W C 0.242 176.967 176.519 0.343 0.000 1.051 835 W CA -0.803 56.783 57.345 0.402 0.000 1.224 835 W CB 2.555 32.290 29.460 0.459 0.000 1.405 835 W HN 0.734 nan 8.180 nan 0.000 0.513 836 G N 2.885 112.046 108.800 0.601 0.000 2.470 836 G HA2 0.788 4.747 3.960 -0.001 0.000 0.320 836 G HA3 0.788 4.747 3.960 -0.001 0.000 0.320 836 G C -1.417 173.902 174.900 0.698 0.000 1.245 836 G CA -0.573 44.919 45.100 0.653 0.000 0.935 836 G HN 0.367 nan 8.290 nan 0.000 0.476 837 I N 1.361 122.281 120.570 0.583 0.000 2.656 837 I HA 0.363 4.532 4.170 -0.001 0.000 0.292 837 I C -0.853 175.550 176.117 0.477 0.000 1.144 837 I CA -1.088 60.508 61.300 0.493 0.000 1.038 837 I CB 2.740 40.896 38.000 0.261 0.000 1.244 837 I HN 0.141 nan 8.210 nan 0.000 0.420 838 V N 5.413 125.590 119.914 0.438 0.000 2.483 838 V HA 0.428 4.547 4.120 -0.001 0.000 0.297 838 V C -0.356 175.987 176.094 0.415 0.000 1.027 838 V CA -0.734 61.803 62.300 0.394 0.000 0.855 838 V CB 1.935 33.961 31.823 0.338 0.000 0.995 838 V HN 0.615 nan 8.190 nan 0.000 0.424 839 K N 3.396 124.055 120.400 0.432 0.000 2.323 839 K HA 0.464 4.783 4.320 -0.001 0.000 0.259 839 K C -0.632 176.143 176.600 0.291 0.000 0.947 839 K CA -0.604 55.902 56.287 0.365 0.000 0.819 839 K CB 1.882 34.581 32.500 0.331 0.000 1.109 839 K HN 0.598 nan 8.250 nan 0.000 0.429 840 Y N 0.915 121.279 120.300 0.105 0.000 2.482 840 Y HA -0.008 4.541 4.550 -0.001 0.000 0.270 840 Y C 0.222 176.040 175.900 -0.136 0.000 1.152 840 Y CA -0.001 58.032 58.100 -0.112 0.000 1.292 840 Y CB 0.385 38.781 38.460 -0.107 0.000 1.070 840 Y HN 0.669 nan 8.280 nan 0.000 0.528 841 D N -3.397 117.053 120.400 0.084 0.000 2.610 841 D HA 0.140 4.779 4.640 -0.001 0.000 0.271 841 D C -0.618 175.714 176.300 0.053 0.000 1.174 841 D CA -0.712 53.310 54.000 0.036 0.000 0.949 841 D CB 0.440 41.267 40.800 0.045 0.000 1.430 841 D HN -0.239 nan 8.370 nan 0.000 0.467 842 D N -0.245 120.174 120.400 0.032 0.000 2.434 842 D HA 0.100 4.739 4.640 -0.001 0.000 0.232 842 D C 0.187 176.500 176.300 0.021 0.000 1.166 842 D CA 0.055 54.076 54.000 0.035 0.000 0.830 842 D CB -0.113 40.699 40.800 0.019 0.000 0.960 842 D HN 0.420 nan 8.370 nan 0.000 0.497 843 S N -0.697 115.015 115.700 0.021 0.000 2.600 843 S HA 0.232 4.701 4.470 -0.001 0.000 0.265 843 S C 0.437 175.031 174.600 -0.010 0.000 1.325 843 S CA -0.754 57.447 58.200 0.002 0.000 1.002 843 S CB 1.756 64.958 63.200 0.003 0.000 0.921 843 S HN -0.102 nan 8.310 nan 0.000 0.554 844 V N 2.638 122.533 119.914 -0.031 0.000 2.427 844 V HA 0.260 4.379 4.120 -0.001 0.000 0.268 844 V C 0.141 176.191 176.094 -0.073 0.000 1.046 844 V CA -0.174 62.092 62.300 -0.057 0.000 0.970 844 V CB 0.445 32.228 31.823 -0.067 0.000 1.001 844 V HN 0.927 nan 8.190 nan 0.000 0.476 845 S N 3.671 119.316 115.700 -0.093 0.000 2.438 845 S HA 0.381 4.850 4.470 -0.001 0.000 0.316 845 S C 0.228 174.713 174.600 -0.191 0.000 1.084 845 S CA -0.468 57.661 58.200 -0.118 0.000 1.107 845 S CB 1.150 64.291 63.200 -0.099 0.000 0.981 845 S HN 0.779 nan 8.310 nan 0.000 0.466 846 T N 4.828 119.258 114.554 -0.207 0.000 2.743 846 T HA 0.386 4.735 4.350 -0.001 0.000 0.293 846 T C -0.055 174.416 174.700 -0.382 0.000 0.945 846 T CA -0.382 61.542 62.100 -0.293 0.000 1.030 846 T CB 0.112 68.844 68.868 -0.227 0.000 0.912 846 T HN 0.346 nan 8.240 nan 0.000 0.483 847 I N 2.698 122.871 120.570 -0.662 0.000 2.378 847 I HA 0.259 4.428 4.170 -0.001 0.000 0.291 847 I C 0.962 176.578 176.117 -0.835 0.000 0.992 847 I CA -0.563 60.251 61.300 -0.809 0.000 1.154 847 I CB 0.962 38.215 38.000 -1.245 0.000 1.315 847 I HN 0.756 nan 8.210 nan 0.000 0.448 848 S N 4.634 120.073 115.700 -0.435 0.000 3.419 848 S HA -0.287 4.183 4.470 -0.001 0.000 0.350 848 S C 0.950 175.405 174.600 -0.242 0.000 1.128 848 S CA 1.272 59.317 58.200 -0.259 0.000 0.999 848 S CB -1.493 61.627 63.200 -0.133 0.000 0.923 848 S HN 0.936 nan 8.310 nan 0.000 0.522 849 N N -0.301 118.235 118.700 -0.273 0.000 2.708 849 N HA -0.267 4.473 4.740 -0.001 0.000 0.249 849 N C 0.443 175.844 175.510 -0.181 0.000 1.097 849 N CA 1.969 54.900 53.050 -0.198 0.000 0.710 849 N CB -0.798 37.624 38.487 -0.109 0.000 1.032 849 N HN 0.833 nan 8.380 nan 0.000 0.551 850 Q N -1.830 117.783 119.800 -0.312 0.000 2.459 850 Q HA 0.258 4.597 4.340 -0.001 0.000 0.260 850 Q C -0.118 175.766 176.000 -0.193 0.000 0.828 850 Q CA 0.791 56.499 55.803 -0.158 0.000 0.987 850 Q CB 0.698 29.434 28.738 -0.004 0.000 1.216 850 Q HN 0.458 nan 8.270 nan 0.000 0.558 851 F N -1.134 118.549 119.950 -0.446 0.000 2.779 851 F HA 0.580 5.107 4.527 -0.001 0.000 0.316 851 F C -1.809 173.641 175.800 -0.584 0.000 1.164 851 F CA -1.266 56.346 58.000 -0.646 0.000 0.924 851 F CB 1.110 39.513 39.000 -0.994 0.000 1.348 851 F HN -0.334 nan 8.300 nan 0.000 0.467 852 Q N 1.432 121.025 119.800 -0.345 0.000 2.375 852 Q HA 0.714 5.053 4.340 -0.001 0.000 0.271 852 Q C -1.375 174.487 176.000 -0.230 0.000 1.074 852 Q CA -1.444 54.190 55.803 -0.282 0.000 0.808 852 Q CB 3.345 31.927 28.738 -0.260 0.000 1.327 852 Q HN 0.725 nan 8.270 nan 0.000 0.441 853 V N 0.122 119.939 119.914 -0.161 0.000 2.555 853 V HA 0.467 4.586 4.120 -0.001 0.000 0.302 853 V C 0.081 176.120 176.094 -0.091 0.000 1.038 853 V CA -0.659 61.541 62.300 -0.168 0.000 0.887 853 V CB 1.012 32.535 31.823 -0.501 0.000 0.991 853 V HN 0.827 nan 8.190 nan 0.000 0.434 854 L N 1.453 122.678 121.223 0.004 0.000 2.731 854 L HA 0.490 4.829 4.340 -0.001 0.000 0.240 854 L C 0.746 177.656 176.870 0.066 0.000 1.120 854 L CA 0.177 55.026 54.840 0.014 0.000 0.913 854 L CB -0.032 42.015 42.059 -0.020 0.000 1.213 854 L HN 0.642 nan 8.230 nan 0.000 0.515 855 K N 0.901 121.404 120.400 0.172 0.000 2.426 855 K HA 0.410 4.729 4.320 -0.001 0.000 0.251 855 K C -0.634 176.160 176.600 0.324 0.000 0.941 855 K CA -0.930 55.457 56.287 0.168 0.000 0.808 855 K CB 2.817 35.336 32.500 0.031 0.000 1.265 855 K HN -0.102 nan 8.250 nan 0.000 0.432 856 R N 0.870 121.500 120.500 0.216 0.000 2.537 856 R HA 0.195 4.534 4.340 -0.001 0.000 0.281 856 R C -0.022 176.504 176.300 0.376 0.000 0.988 856 R CA 1.194 57.418 56.100 0.206 0.000 1.077 856 R CB -0.015 30.284 30.300 -0.002 0.000 0.932 856 R HN 0.864 nan 8.270 nan 0.000 0.409 857 G N 1.407 110.487 108.800 0.466 0.000 2.352 857 G HA2 0.155 4.114 3.960 -0.001 0.000 0.283 857 G HA3 0.155 4.114 3.960 -0.001 0.000 0.283 857 G C -1.783 173.207 174.900 0.150 0.000 1.308 857 G CA -0.502 44.743 45.100 0.242 0.000 0.892 857 G HN 0.541 nan 8.290 nan 0.000 0.504 858 V N 0.510 120.300 119.914 -0.207 0.000 2.495 858 V HA 0.769 4.888 4.120 -0.001 0.000 0.298 858 V C -1.126 174.938 176.094 -0.050 0.000 1.031 858 V CA -0.662 61.623 62.300 -0.025 0.000 0.871 858 V CB 1.218 32.972 31.823 -0.115 0.000 0.988 858 V HN 0.679 nan 8.190 nan 0.000 0.432 859 Y N 1.113 121.508 120.300 0.159 0.000 2.512 859 Y HA 0.752 5.301 4.550 -0.001 0.000 0.348 859 Y C 0.260 176.277 175.900 0.196 0.000 0.990 859 Y CA -1.091 57.133 58.100 0.206 0.000 1.033 859 Y CB 2.540 41.164 38.460 0.273 0.000 1.259 859 Y HN 0.510 nan 8.280 nan 0.000 0.461 860 T N 3.972 118.727 114.554 0.334 0.000 2.949 860 T HA 0.652 5.001 4.350 -0.001 0.000 0.300 860 T C -0.824 174.026 174.700 0.251 0.000 0.988 860 T CA -0.423 61.846 62.100 0.282 0.000 0.993 860 T CB 0.449 69.424 68.868 0.179 0.000 0.984 860 T HN 0.401 nan 8.240 nan 0.000 0.442 861 I N 2.396 123.156 120.570 0.318 0.000 2.608 861 I HA 0.610 4.779 4.170 -0.001 0.000 0.295 861 I C -0.112 176.253 176.117 0.413 0.000 1.049 861 I CA -1.007 60.441 61.300 0.247 0.000 1.063 861 I CB 2.505 40.540 38.000 0.057 0.000 1.248 861 I HN 0.304 nan 8.210 nan 0.000 0.424 862 R N 5.061 125.745 120.500 0.308 0.000 2.561 862 R HA 0.437 4.776 4.340 -0.001 0.000 0.297 862 R C -1.160 175.339 176.300 0.332 0.000 0.969 862 R CA -0.798 55.496 56.100 0.323 0.000 0.879 862 R CB 1.802 32.202 30.300 0.167 0.000 1.178 862 R HN 0.563 nan 8.270 nan 0.000 0.445 863 K N 3.299 123.942 120.400 0.406 0.000 2.211 863 K HA 0.184 4.504 4.320 -0.001 0.000 0.275 863 K C -1.055 175.567 176.600 0.037 0.000 1.024 863 K CA -0.294 56.092 56.287 0.166 0.000 0.887 863 K CB 1.142 33.874 32.500 0.388 0.000 1.084 863 K HN 0.610 nan 8.250 nan 0.000 0.463 864 E N 3.400 123.558 120.200 -0.070 0.000 2.593 864 E HA 0.290 4.639 4.350 -0.001 0.000 0.232 864 E C -0.182 176.376 176.600 -0.071 0.000 1.026 864 E CA -0.535 55.842 56.400 -0.038 0.000 0.772 864 E CB 1.352 31.041 29.700 -0.019 0.000 1.310 864 E HN 0.997 nan 8.360 nan 0.000 0.413 865 G N 2.499 111.266 108.800 -0.055 0.000 2.445 865 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.212 865 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.212 865 G C -0.085 174.751 174.900 -0.107 0.000 1.217 865 G CA -0.357 44.717 45.100 -0.043 0.000 1.002 865 G HN 0.434 nan 8.290 nan 0.000 0.574 866 D N 1.602 121.949 120.400 -0.088 0.000 2.349 866 D HA 0.173 4.812 4.640 -0.001 0.000 0.224 866 D C 0.805 177.016 176.300 -0.149 0.000 1.029 866 D CA 0.812 54.760 54.000 -0.086 0.000 0.879 866 D CB 0.282 41.078 40.800 -0.008 0.000 0.906 866 D HN 0.400 nan 8.370 nan 0.000 0.528 867 E N 0.064 120.143 120.200 -0.201 0.000 2.222 867 E HA 0.322 4.671 4.350 -0.001 0.000 0.272 867 E C -0.792 175.609 176.600 -0.332 0.000 0.982 867 E CA -0.583 55.722 56.400 -0.158 0.000 0.842 867 E CB 1.569 31.231 29.700 -0.064 0.000 1.144 867 E HN 0.026 nan 8.360 nan 0.000 0.397 868 Y N 0.559 120.852 120.300 -0.012 0.000 2.346 868 Y HA 0.246 4.795 4.550 -0.002 0.000 0.332 868 Y C 0.260 176.036 175.900 -0.207 0.000 0.985 868 Y CA -0.668 57.362 58.100 -0.117 0.000 1.112 868 Y CB 1.717 40.020 38.460 -0.263 0.000 1.170 868 Y HN 0.187 nan 8.280 nan 0.000 0.447 869 K N 4.803 125.208 120.400 0.008 0.000 2.234 869 K HA 0.646 4.965 4.320 -0.001 0.000 0.277 869 K C -1.240 175.306 176.600 -0.091 0.000 1.038 869 K CA -0.249 56.017 56.287 -0.036 0.000 0.888 869 K CB 0.542 33.050 32.500 0.012 0.000 1.091 869 K HN 0.693 nan 8.250 nan 0.000 0.467 870 I N 2.986 123.471 120.570 -0.142 0.000 2.441 870 I HA 0.397 4.566 4.170 -0.001 0.000 0.295 870 I C -0.514 175.600 176.117 -0.006 0.000 0.994 870 I CA -0.835 60.386 61.300 -0.132 0.000 1.144 870 I CB 2.101 39.938 38.000 -0.270 0.000 1.314 870 I HN 0.620 nan 8.210 nan 0.000 0.445 871 A N 6.082 128.939 122.820 0.061 0.000 2.409 871 A HA 0.545 4.864 4.320 -0.001 0.000 0.300 871 A C -1.421 176.223 177.584 0.100 0.000 1.273 871 A CA -0.363 51.716 52.037 0.069 0.000 0.774 871 A CB 0.381 19.412 19.000 0.051 0.000 1.144 871 A HN 0.642 nan 8.150 nan 0.000 0.472 872 Y N 2.311 122.576 120.300 -0.060 0.000 2.409 872 Y HA 0.688 5.237 4.550 -0.002 0.000 0.339 872 Y C -1.617 174.249 175.900 -0.056 0.000 1.033 872 Y CA -1.319 56.658 58.100 -0.205 0.000 1.094 872 Y CB 1.496 39.765 38.460 -0.318 0.000 1.210 872 Y HN 0.617 nan 8.280 nan 0.000 0.456 873 Y N 5.651 125.225 120.300 -1.211 0.000 2.433 873 Y HA 0.343 4.892 4.550 -0.002 0.000 0.337 873 Y C -1.420 173.853 175.900 -1.044 0.000 1.026 873 Y CA -1.502 56.071 58.100 -0.879 0.000 1.037 873 Y CB 1.502 39.697 38.460 -0.443 0.000 1.245 873 Y HN 0.788 nan 8.280 nan 0.000 0.443 874 N N 8.113 126.116 118.700 -1.161 0.000 2.527 874 N HA 0.294 5.033 4.740 -0.001 0.000 0.236 874 N C -1.990 172.908 175.510 -1.020 0.000 0.999 874 N CA -2.102 50.500 53.050 -0.747 0.000 0.935 874 N CB 1.316 39.641 38.487 -0.270 0.000 1.132 874 N HN 0.372 nan 8.380 nan 0.000 0.511 875 P HA -0.151 nan 4.420 nan 0.000 0.220 875 P C 0.273 177.388 177.300 -0.309 0.000 1.148 875 P CA 1.291 63.983 63.100 -0.680 0.000 0.803 875 P CB 0.395 31.786 31.700 -0.514 0.000 0.782 876 E N -0.199 119.910 120.200 -0.151 0.000 2.112 876 E HA -0.073 4.276 4.350 -0.001 0.000 0.190 876 E C 1.875 178.439 176.600 -0.061 0.000 0.979 876 E CA 1.799 58.180 56.400 -0.032 0.000 0.814 876 E CB -0.430 29.304 29.700 0.057 0.000 0.762 876 E HN 0.385 nan 8.360 nan 0.000 0.460 877 T N -2.222 112.268 114.554 -0.106 0.000 3.060 877 T HA 0.036 4.385 4.350 -0.001 0.000 0.249 877 T C 0.494 175.145 174.700 -0.082 0.000 1.079 877 T CA -0.196 61.863 62.100 -0.068 0.000 1.013 877 T CB 0.164 69.005 68.868 -0.044 0.000 0.975 877 T HN 0.044 nan 8.240 nan 0.000 0.518 878 Q N 0.821 120.503 119.800 -0.197 0.000 2.463 878 Q HA -0.153 4.186 4.340 -0.001 0.000 0.299 878 Q C -0.813 175.201 176.000 0.023 0.000 1.353 878 Q CA 0.696 56.442 55.803 -0.095 0.000 0.828 878 Q CB -1.676 27.110 28.738 0.079 0.000 1.157 878 Q HN 0.754 nan 8.270 nan 0.000 0.436 879 E N -0.774 119.353 120.200 -0.121 0.000 2.408 879 E HA 0.561 4.910 4.350 -0.001 0.000 0.275 879 E C -0.653 175.958 176.600 0.020 0.000 0.935 879 E CA -0.371 56.045 56.400 0.026 0.000 0.775 879 E CB 2.173 31.889 29.700 0.026 0.000 1.277 879 E HN 0.108 nan 8.360 nan 0.000 0.455 880 S N 0.209 115.987 115.700 0.131 0.000 2.448 880 S HA 0.887 5.356 4.470 -0.001 0.000 0.271 880 S C -0.941 173.812 174.600 0.256 0.000 1.145 880 S CA 0.306 58.621 58.200 0.192 0.000 1.022 880 S CB 0.957 64.259 63.200 0.171 0.000 1.202 880 S HN 0.605 nan 8.310 nan 0.000 0.479 881 A N 0.533 123.511 122.820 0.263 0.000 2.597 881 A HA 0.660 4.979 4.320 -0.001 0.000 0.292 881 A C -3.158 174.462 177.584 0.060 0.000 1.057 881 A CA -1.137 50.976 52.037 0.127 0.000 0.674 881 A CB 0.019 19.052 19.000 0.056 0.000 1.278 881 A HN 0.561 nan 8.150 nan 0.000 0.416 882 P HA 0.158 nan 4.420 nan 0.000 0.266 882 P C -0.015 177.288 177.300 0.006 0.000 1.195 882 P CA 0.043 63.155 63.100 0.021 0.000 0.768 882 P CB 0.568 32.278 31.700 0.017 0.000 0.838 883 D N 2.067 122.480 120.400 0.022 0.000 2.133 883 D HA -0.219 4.420 4.640 -0.001 0.000 0.192 883 D C 1.793 178.137 176.300 0.073 0.000 1.001 883 D CA 1.401 55.424 54.000 0.038 0.000 0.844 883 D CB -0.342 40.477 40.800 0.033 0.000 0.944 883 D HN 0.547 nan 8.370 nan 0.000 0.447 884 Q N 1.270 121.103 119.800 0.055 0.000 2.364 884 Q HA -0.147 4.192 4.340 -0.001 0.000 0.209 884 Q C 1.391 177.399 176.000 0.013 0.000 0.977 884 Q CA 1.130 56.961 55.803 0.047 0.000 0.885 884 Q CB -0.434 28.323 28.738 0.032 0.000 0.941 884 Q HN 0.410 nan 8.270 nan 0.000 0.464 885 E N 0.425 120.617 120.200 -0.013 0.000 2.216 885 E HA -0.048 4.301 4.350 -0.001 0.000 0.192 885 E C 1.737 178.290 176.600 -0.080 0.000 0.988 885 E CA 1.225 57.597 56.400 -0.048 0.000 0.834 885 E CB 0.507 30.167 29.700 -0.066 0.000 0.772 885 E HN 0.409 nan 8.360 nan 0.000 0.479 886 V N -2.737 117.128 119.914 -0.081 0.000 3.548 886 V HA 0.326 4.446 4.120 -0.001 0.000 0.279 886 V C -0.090 176.103 176.094 0.165 0.000 1.446 886 V CA -0.467 61.801 62.300 -0.053 0.000 1.023 886 V CB 0.138 31.717 31.823 -0.407 0.000 0.820 886 V HN 0.022 nan 8.190 nan 0.000 0.438 887 F N 1.465 121.389 119.950 -0.044 0.000 2.578 887 F HA 0.774 5.300 4.527 -0.001 0.000 0.311 887 F C -0.712 175.039 175.800 -0.081 0.000 1.094 887 F CA -0.875 57.082 58.000 -0.071 0.000 0.923 887 F CB 1.964 40.902 39.000 -0.104 0.000 1.230 887 F HN -0.020 nan 8.300 nan 0.000 0.450 888 K N 5.854 125.723 120.400 -0.885 0.000 2.615 888 K HA 0.242 4.561 4.320 -0.001 0.000 0.249 888 K C -1.524 174.603 176.600 -0.788 0.000 0.977 888 K CA -0.787 55.150 56.287 -0.584 0.000 0.833 888 K CB 1.609 33.935 32.500 -0.290 0.000 1.208 888 K HN 0.786 nan 8.250 nan 0.000 0.443 889 K N 4.923 125.022 120.400 -0.501 0.000 2.326 889 K HA 0.201 4.520 4.320 -0.001 0.000 0.275 889 K C -0.408 176.101 176.600 -0.151 0.000 1.018 889 K CA -0.379 55.745 56.287 -0.272 0.000 0.962 889 K CB 0.575 33.124 32.500 0.082 0.000 0.953 889 K HN 0.554 nan 8.250 nan 0.000 0.475 890 L N 4.127 125.286 121.223 -0.108 0.000 2.397 890 L HA 0.143 4.482 4.340 -0.001 0.000 0.271 890 L C 0.324 177.181 176.870 -0.021 0.000 1.148 890 L CA 0.100 54.892 54.840 -0.080 0.000 0.825 890 L CB 0.522 42.525 42.059 -0.094 0.000 1.117 890 L HN 0.957 nan 8.230 nan 0.000 0.456 891 E N 0.583 120.766 120.200 -0.028 0.000 9.128 891 E HA -0.152 4.197 4.350 -0.001 0.000 0.466 891 E C -0.500 176.105 176.600 0.008 0.000 1.362 891 E CA 0.835 57.230 56.400 -0.007 0.000 2.366 891 E CB -0.262 29.440 29.700 0.004 0.000 1.025 891 E HN 0.698 nan 8.360 nan 0.000 0.333 892 Q N 0.000 119.807 119.800 0.012 0.000 2.315 892 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 892 Q CA 0.000 nan 55.803 nan 0.000 1.022 892 Q CB 0.000 nan 28.738 nan 0.000 1.108 892 Q HN 0.000 nan 8.270 nan 0.000 0.481