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 1n7r_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NAADYEIGTP RAINNTLSLM KEYFSDEEIK DATA SEQUENCE KYTDVIEKFV PDPEHFRKTT DNPVKALGGN LVDMGRVKVI AGLLRKDDQE DATA SEQUENCE ISSTIRSIEQ VFKLVDQGEG FYQDGSYIDH TNVAYTGAYG NVLIDGLSQL DATA SEQUENCE LPVIQKTKNP IDKDKMQTMY HWIDKSFAPL LVNGELMDMS RGRSISRANS DATA SEQUENCE EGHVAAVEVL RGIHRIADMS EGETKQRLQS LVKTIVQSDS YYDVFKNLKT DATA SEQUENCE YKDISLMQSL LSDAGVASVP RTSYLSAFNK MDKTAMYNAE KGFGFGLSLF DATA SEQUENCE SSRTLNYEHM NKENKRGWYT SDGMFYLYNG DLSHYSDGYW PTVNPYKMPG DATA SEQUENCE TTETDAKRAD SDTGKVLPSA FVGTSKLDDA NATATMDFTN WNQTLTAHKS DATA SEQUENCE WFMLKDKIAF LGSNIQNTST DTAATTIDQR KLESSNPYKV YVNDKEASLT DATA SEQUENCE EQEKDYPETQ SVFLESSDSK KNIGYFFFKK SSISMSKALQ KGAWKDINEG DATA SEQUENCE QSDKEVENEF LTISQAHKQN GDSYGYMLIP NVDRATFNQM IKELESSLIE DATA SEQUENCE NNETLQSVYD AKQGVWGIVK YDDSVSTISN QFQVLKRGVY TIRKEGDEYK DATA SEQUENCE IAYYNPETQE SAPDQEVFKK L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 170 V HA 0.000 nan 4.120 nan 0.000 0.244 170 V C 0.000 176.126 176.094 0.054 0.000 1.182 170 V CA 0.000 62.323 62.300 0.038 0.000 1.235 170 V CB 0.000 31.843 31.823 0.034 0.000 1.184 171 K N 3.854 124.283 120.400 0.048 0.000 2.143 171 K HA 0.852 5.054 4.320 -0.196 0.000 0.272 171 K C -0.736 175.900 176.600 0.059 0.000 1.001 171 K CA 0.092 56.412 56.287 0.054 0.000 0.915 171 K CB 2.045 34.567 32.500 0.036 0.000 1.047 171 K HN 1.133 nan 8.250 nan 0.000 0.458 172 D N -1.489 118.951 120.400 0.068 0.000 3.213 172 D HA -0.040 4.483 4.640 -0.196 0.000 0.357 172 D C 0.680 176.984 176.300 0.007 0.000 1.446 172 D CA -0.368 53.662 54.000 0.051 0.000 0.893 172 D CB -0.365 40.500 40.800 0.109 0.000 1.466 172 D HN 0.326 nan 8.370 nan 0.000 0.541 173 T N -2.640 111.855 114.554 -0.098 0.000 2.867 173 T HA -0.133 4.100 4.350 -0.196 0.000 0.268 173 T C 1.658 176.254 174.700 -0.172 0.000 1.057 173 T CA 1.303 63.293 62.100 -0.183 0.000 1.136 173 T CB -0.838 67.848 68.868 -0.302 0.000 0.874 173 T HN 0.410 nan 8.240 nan 0.000 0.466 174 Y N 2.771 123.078 120.300 0.012 0.000 2.181 174 Y HA -0.083 4.347 4.550 -0.199 0.000 0.288 174 Y C 3.259 179.173 175.900 0.022 0.000 1.146 174 Y CA 1.411 59.516 58.100 0.009 0.000 1.164 174 Y CB -1.264 37.197 38.460 0.002 0.000 0.982 174 Y HN 0.447 nan 8.280 nan 0.000 0.515 175 T N -3.166 111.496 114.554 0.181 0.000 3.055 175 T HA -0.091 4.141 4.350 -0.196 0.000 0.265 175 T C 1.312 176.070 174.700 0.097 0.000 1.111 175 T CA 1.141 63.318 62.100 0.128 0.000 1.118 175 T CB -0.261 68.672 68.868 0.108 0.000 0.909 175 T HN 0.157 nan 8.240 nan 0.000 0.501 176 D N 1.325 121.764 120.400 0.066 0.000 2.117 176 D HA -0.002 4.521 4.640 -0.196 0.000 0.198 176 D C 2.351 178.694 176.300 0.071 0.000 0.982 176 D CA 0.844 54.874 54.000 0.051 0.000 0.828 176 D CB -0.237 40.575 40.800 0.020 0.000 0.967 176 D HN 0.239 nan 8.370 nan 0.000 0.464 177 R N 0.333 120.874 120.500 0.068 0.000 2.091 177 R HA -0.001 4.221 4.340 -0.196 0.000 0.238 177 R C 2.419 178.807 176.300 0.146 0.000 1.136 177 R CA 0.647 56.800 56.100 0.088 0.000 0.959 177 R CB -0.660 29.675 30.300 0.060 0.000 0.856 177 R HN 0.204 nan 8.270 nan 0.000 0.437 178 L N 0.166 121.477 121.223 0.148 0.000 2.093 178 L HA -0.190 4.033 4.340 -0.196 0.000 0.208 178 L C 1.662 178.665 176.870 0.221 0.000 1.085 178 L CA 1.198 56.159 54.840 0.201 0.000 0.755 178 L CB -0.482 41.674 42.059 0.161 0.000 0.904 178 L HN 0.199 nan 8.230 nan 0.000 0.435 179 D N 0.222 120.715 120.400 0.155 0.000 2.123 179 D HA -0.200 4.323 4.640 -0.196 0.000 0.196 179 D C 1.745 178.131 176.300 0.144 0.000 0.992 179 D CA 1.378 55.455 54.000 0.129 0.000 0.833 179 D CB -0.226 40.626 40.800 0.087 0.000 0.954 179 D HN 0.341 nan 8.370 nan 0.000 0.455 180 D N -0.162 120.334 120.400 0.160 0.000 2.117 180 D HA -0.156 4.367 4.640 -0.196 0.000 0.197 180 D C 1.937 178.382 176.300 0.243 0.000 0.987 180 D CA 0.416 54.523 54.000 0.177 0.000 0.829 180 D CB -0.507 40.394 40.800 0.168 0.000 0.961 180 D HN 0.433 nan 8.370 nan 0.000 0.460 181 W N 1.895 123.236 121.300 0.068 0.000 2.335 181 W HA -0.227 4.312 4.660 -0.202 0.000 0.311 181 W C 1.600 178.161 176.519 0.071 0.000 1.213 181 W CA 0.939 58.322 57.345 0.065 0.000 1.274 181 W CB -0.050 29.444 29.460 0.057 0.000 1.148 181 W HN -0.045 nan 8.180 nan 0.000 0.498 182 N N 0.306 119.083 118.700 0.128 0.000 2.104 182 N HA -0.142 4.481 4.740 -0.196 0.000 0.190 182 N C 1.887 177.396 175.510 -0.001 0.000 1.024 182 N CA 2.005 55.068 53.050 0.023 0.000 0.853 182 N CB -1.369 37.179 38.487 0.102 0.000 1.008 182 N HN 0.270 nan 8.380 nan 0.000 0.424 183 G N 0.557 109.396 108.800 0.066 0.000 2.448 183 G HA2 -0.131 3.712 3.960 -0.196 0.000 0.219 183 G HA3 -0.131 3.712 3.960 -0.196 0.000 0.219 183 G C 1.620 176.611 174.900 0.153 0.000 1.127 183 G CA 0.342 45.536 45.100 0.156 0.000 0.766 183 G HN 0.283 nan 8.290 nan 0.000 0.552 184 I N 0.741 121.295 120.570 -0.027 0.000 2.400 184 I HA 0.033 4.086 4.170 -0.196 0.000 0.248 184 I C 2.564 178.493 176.117 -0.313 0.000 1.109 184 I CA 0.666 61.870 61.300 -0.159 0.000 1.425 184 I CB -0.065 37.819 38.000 -0.193 0.000 1.094 184 I HN 0.276 nan 8.210 nan 0.000 0.425 185 I N -1.551 118.719 120.570 -0.501 0.000 2.716 185 I HA 0.112 4.165 4.170 -0.196 0.000 0.259 185 I C 2.067 178.021 176.117 -0.272 0.000 1.172 185 I CA 1.255 62.264 61.300 -0.484 0.000 1.478 185 I CB -0.230 37.362 38.000 -0.680 0.000 1.104 185 I HN 0.039 nan 8.210 nan 0.000 0.439 186 A N 0.818 123.535 122.820 -0.172 0.000 1.935 186 A HA 0.593 4.795 4.320 -0.196 0.000 0.202 186 A C 1.788 179.374 177.584 0.003 0.000 1.772 186 A CA 0.596 52.567 52.037 -0.109 0.000 1.013 186 A CB -0.334 18.649 19.000 -0.027 0.000 1.077 186 A HN 0.786 nan 8.150 nan 0.000 0.565 187 G N 0.605 109.498 108.800 0.154 0.000 2.248 187 G HA2 -0.225 3.618 3.960 -0.196 0.000 0.252 187 G HA3 -0.225 3.618 3.960 -0.196 0.000 0.252 187 G C 0.325 175.518 174.900 0.488 0.000 1.085 187 G CA 0.504 45.841 45.100 0.396 0.000 0.845 187 G HN 0.327 nan 8.290 nan 0.000 0.494 188 N N 0.519 119.399 118.700 0.300 0.000 2.223 188 N HA -0.099 4.523 4.740 -0.196 0.000 0.185 188 N C 2.536 178.087 175.510 0.068 0.000 1.016 188 N CA 1.534 54.721 53.050 0.227 0.000 0.863 188 N CB -0.151 38.420 38.487 0.139 0.000 0.983 188 N HN 0.811 nan 8.380 nan 0.000 0.429 189 Q N -0.173 119.580 119.800 -0.078 0.000 2.308 189 Q HA -0.170 4.052 4.340 -0.196 0.000 0.209 189 Q C 0.697 176.527 176.000 -0.284 0.000 0.985 189 Q CA 1.357 57.007 55.803 -0.254 0.000 0.881 189 Q CB -0.739 27.744 28.738 -0.425 0.000 0.917 189 Q HN 0.535 nan 8.270 nan 0.000 0.443 190 Y N -0.882 119.458 120.300 0.067 0.000 2.462 190 Y HA 0.170 4.605 4.550 -0.193 0.000 0.261 190 Y C 0.524 176.387 175.900 -0.060 0.000 1.146 190 Y CA -1.110 57.007 58.100 0.028 0.000 1.283 190 Y CB -0.079 38.432 38.460 0.085 0.000 1.090 190 Y HN 0.072 nan 8.280 nan 0.000 0.526 191 Y N 2.344 122.567 120.300 -0.129 0.000 2.425 191 Y HA 0.293 4.726 4.550 -0.194 0.000 0.331 191 Y C -0.388 175.362 175.900 -0.250 0.000 1.157 191 Y CA -0.630 57.218 58.100 -0.420 0.000 1.372 191 Y CB 0.523 38.592 38.460 -0.651 0.000 1.253 191 Y HN 0.077 nan 8.280 nan 0.000 0.536 192 D N 3.189 122.887 120.400 -1.169 0.000 2.602 192 D HA 0.123 4.645 4.640 -0.196 0.000 0.245 192 D C 0.251 176.028 176.300 -0.873 0.000 1.325 192 D CA -0.046 53.532 54.000 -0.703 0.000 0.952 192 D CB 1.120 41.707 40.800 -0.355 0.000 1.317 192 D HN 0.517 nan 8.370 nan 0.000 0.577 193 S N 3.502 118.845 115.700 -0.596 0.000 2.442 193 S HA -0.140 4.212 4.470 -0.196 0.000 0.236 193 S C 1.391 175.865 174.600 -0.210 0.000 1.007 193 S CA 0.531 58.546 58.200 -0.309 0.000 0.965 193 S CB -0.123 63.040 63.200 -0.061 0.000 0.773 193 S HN 0.458 nan 8.310 nan 0.000 0.504 194 K N 1.469 121.743 120.400 -0.209 0.000 2.366 194 K HA 0.104 4.306 4.320 -0.196 0.000 0.198 194 K C 0.490 176.992 176.600 -0.163 0.000 1.044 194 K CA 0.134 56.330 56.287 -0.151 0.000 0.973 194 K CB -0.352 32.074 32.500 -0.122 0.000 0.767 194 K HN 0.380 nan 8.250 nan 0.000 0.475 195 N N 2.358 120.923 118.700 -0.226 0.000 2.439 195 N HA -0.034 4.588 4.740 -0.196 0.000 0.243 195 N C 0.012 175.414 175.510 -0.179 0.000 1.088 195 N CA 0.249 53.176 53.050 -0.205 0.000 0.940 195 N CB 1.033 39.375 38.487 -0.241 0.000 1.180 195 N HN -0.058 nan 8.380 nan 0.000 0.505 196 D N 1.831 122.143 120.400 -0.147 0.000 2.268 196 D HA -0.248 4.274 4.640 -0.196 0.000 0.189 196 D C 1.419 177.640 176.300 -0.131 0.000 1.010 196 D CA 1.812 55.736 54.000 -0.127 0.000 0.862 196 D CB 0.354 41.071 40.800 -0.139 0.000 0.943 196 D HN 0.591 nan 8.370 nan 0.000 0.451 197 Q N -0.901 118.776 119.800 -0.206 0.000 2.123 197 Q HA -0.008 4.215 4.340 -0.196 0.000 0.199 197 Q C 2.382 178.363 176.000 -0.032 0.000 0.966 197 Q CA 0.750 56.422 55.803 -0.219 0.000 0.845 197 Q CB -0.238 28.176 28.738 -0.541 0.000 0.907 197 Q HN 0.487 nan 8.270 nan 0.000 0.439 198 M N -0.163 119.441 119.600 0.005 0.000 2.132 198 M HA -0.077 4.286 4.480 -0.196 0.000 0.263 198 M C 2.256 178.757 176.300 0.335 0.000 1.065 198 M CA 1.339 56.766 55.300 0.212 0.000 1.122 198 M CB -0.369 32.211 32.600 -0.034 0.000 1.365 198 M HN 0.138 nan 8.290 nan 0.000 0.411 199 A N 0.414 123.318 122.820 0.139 0.000 1.940 199 A HA -0.202 4.001 4.320 -0.196 0.000 0.219 199 A C 2.160 179.833 177.584 0.147 0.000 1.176 199 A CA 1.805 53.954 52.037 0.186 0.000 0.631 199 A CB -0.615 18.418 19.000 0.055 0.000 0.814 199 A HN 0.408 nan 8.150 nan 0.000 0.446 200 K N -0.997 119.457 120.400 0.090 0.000 2.057 200 K HA -0.129 4.074 4.320 -0.196 0.000 0.207 200 K C 1.927 178.581 176.600 0.089 0.000 1.049 200 K CA 1.473 57.795 56.287 0.060 0.000 0.931 200 K CB -0.267 32.243 32.500 0.016 0.000 0.714 200 K HN 0.400 nan 8.250 nan 0.000 0.440 201 L N 1.841 123.152 121.223 0.146 0.000 2.056 201 L HA -0.163 4.060 4.340 -0.196 0.000 0.207 201 L C 1.865 178.828 176.870 0.155 0.000 1.078 201 L CA 1.749 56.671 54.840 0.137 0.000 0.749 201 L CB -0.744 41.398 42.059 0.138 0.000 0.901 201 L HN 0.250 nan 8.230 nan 0.000 0.433 202 N N -1.053 117.798 118.700 0.250 0.000 2.188 202 N HA -0.245 4.378 4.740 -0.196 0.000 0.184 202 N C 1.897 177.449 175.510 0.070 0.000 1.018 202 N CA 1.129 54.264 53.050 0.141 0.000 0.858 202 N CB 0.080 38.564 38.487 -0.006 0.000 0.989 202 N HN 0.415 nan 8.380 nan 0.000 0.426 203 Q N 1.577 121.423 119.800 0.076 0.000 2.084 203 Q HA -0.157 4.066 4.340 -0.196 0.000 0.202 203 Q C 1.835 177.861 176.000 0.044 0.000 0.978 203 Q CA 1.620 57.453 55.803 0.050 0.000 0.844 203 Q CB -0.328 28.435 28.738 0.041 0.000 0.898 203 Q HN 0.489 nan 8.270 nan 0.000 0.426 204 E N -0.465 119.759 120.200 0.040 0.000 2.058 204 E HA -0.224 4.008 4.350 -0.196 0.000 0.194 204 E C 1.815 178.424 176.600 0.015 0.000 0.997 204 E CA 1.357 57.770 56.400 0.021 0.000 0.801 204 E CB -0.264 29.443 29.700 0.011 0.000 0.746 204 E HN 0.438 nan 8.360 nan 0.000 0.450 205 L N 0.749 121.984 121.223 0.021 0.000 2.093 205 L HA -0.150 4.073 4.340 -0.196 0.000 0.208 205 L C 2.713 179.617 176.870 0.056 0.000 1.085 205 L CA 1.028 55.877 54.840 0.015 0.000 0.755 205 L CB -0.408 41.660 42.059 0.014 0.000 0.904 205 L HN 0.166 nan 8.230 nan 0.000 0.435 206 E N 0.256 120.514 120.200 0.097 0.000 2.058 206 E HA -0.185 4.048 4.350 -0.196 0.000 0.194 206 E C 2.179 178.879 176.600 0.167 0.000 0.997 206 E CA 1.507 58.023 56.400 0.194 0.000 0.801 206 E CB -0.435 29.336 29.700 0.119 0.000 0.746 206 E HN 0.534 nan 8.360 nan 0.000 0.450 207 G N 1.560 110.410 108.800 0.083 0.000 2.418 207 G HA2 -0.269 3.573 3.960 -0.196 0.000 0.217 207 G HA3 -0.269 3.573 3.960 -0.196 0.000 0.217 207 G C 1.637 176.551 174.900 0.024 0.000 1.158 207 G CA 0.805 45.938 45.100 0.055 0.000 0.771 207 G HN 0.209 nan 8.290 nan 0.000 0.545 208 K N -0.181 120.216 120.400 -0.004 0.000 2.057 208 K HA -0.001 4.202 4.320 -0.196 0.000 0.207 208 K C 2.570 179.118 176.600 -0.086 0.000 1.049 208 K CA 1.030 57.284 56.287 -0.055 0.000 0.931 208 K CB -0.222 32.232 32.500 -0.077 0.000 0.714 208 K HN 0.207 nan 8.250 nan 0.000 0.440 209 V N 1.116 120.981 119.914 -0.082 0.000 2.323 209 V HA -0.211 3.792 4.120 -0.196 0.000 0.244 209 V C 2.287 178.271 176.094 -0.184 0.000 1.041 209 V CA 1.914 64.096 62.300 -0.196 0.000 1.025 209 V CB -0.585 31.024 31.823 -0.357 0.000 0.656 209 V HN 0.353 nan 8.190 nan 0.000 0.451 210 A N 0.109 122.903 122.820 -0.044 0.000 1.917 210 A HA -0.291 3.912 4.320 -0.196 0.000 0.219 210 A C 1.957 179.560 177.584 0.032 0.000 1.182 210 A CA 2.302 54.373 52.037 0.057 0.000 0.633 210 A CB -0.642 18.450 19.000 0.153 0.000 0.819 210 A HN 0.557 nan 8.150 nan 0.000 0.448 211 D N -0.462 119.944 120.400 0.010 0.000 2.149 211 D HA -0.042 4.481 4.640 -0.196 0.000 0.201 211 D C 2.306 178.629 176.300 0.039 0.000 0.972 211 D CA 1.387 55.396 54.000 0.015 0.000 0.835 211 D CB -0.399 40.392 40.800 -0.015 0.000 0.966 211 D HN 0.366 nan 8.370 nan 0.000 0.476 212 S N 0.390 116.081 115.700 -0.015 0.000 2.359 212 S HA -0.088 4.265 4.470 -0.196 0.000 0.224 212 S C 2.150 176.957 174.600 0.345 0.000 1.035 212 S CA 0.644 58.895 58.200 0.085 0.000 1.018 212 S CB -0.226 62.914 63.200 -0.099 0.000 0.876 212 S HN 0.242 nan 8.310 nan 0.000 0.448 213 L N 1.478 122.778 121.223 0.128 0.000 2.093 213 L HA -0.073 4.149 4.340 -0.196 0.000 0.208 213 L C 2.499 179.421 176.870 0.087 0.000 1.085 213 L CA 1.309 56.200 54.840 0.084 0.000 0.755 213 L CB -0.595 41.451 42.059 -0.023 0.000 0.904 213 L HN 0.387 nan 8.230 nan 0.000 0.435 214 S N -2.599 113.156 115.700 0.091 0.000 2.522 214 S HA -0.028 4.325 4.470 -0.196 0.000 0.227 214 S C 1.940 176.592 174.600 0.086 0.000 0.986 214 S CA 0.677 58.920 58.200 0.071 0.000 0.929 214 S CB 0.276 63.513 63.200 0.060 0.000 0.769 214 S HN 0.201 nan 8.310 nan 0.000 0.529 215 S N 0.724 116.524 115.700 0.165 0.000 2.456 215 S HA 0.356 4.708 4.470 -0.196 0.000 0.224 215 S C 0.691 175.355 174.600 0.106 0.000 1.035 215 S CA -0.458 57.875 58.200 0.222 0.000 0.940 215 S CB -0.306 63.175 63.200 0.467 0.000 0.799 215 S HN 0.598 nan 8.310 nan 0.000 0.508 216 I N 2.597 123.163 120.570 -0.006 0.000 2.845 216 I HA -0.045 4.007 4.170 -0.196 0.000 0.296 216 I C -0.235 175.655 176.117 -0.378 0.000 1.216 216 I CA 0.086 61.052 61.300 -0.556 0.000 1.438 216 I CB 0.614 38.313 38.000 -0.502 0.000 1.342 216 I HN 0.060 nan 8.210 nan 0.000 0.577 217 S N 5.414 120.853 115.700 -0.433 0.000 2.515 217 S HA 0.108 4.460 4.470 -0.196 0.000 0.285 217 S C -0.040 174.359 174.600 -0.334 0.000 1.265 217 S CA -0.483 57.527 58.200 -0.316 0.000 1.079 217 S CB 0.383 63.340 63.200 -0.404 0.000 0.877 217 S HN 0.673 nan 8.310 nan 0.000 0.493 218 S N 2.188 117.754 115.700 -0.224 0.000 2.766 218 S HA 0.628 4.980 4.470 -0.196 0.000 0.307 218 S C 0.051 174.560 174.600 -0.152 0.000 1.121 218 S CA -0.836 57.254 58.200 -0.184 0.000 0.980 218 S CB 0.958 64.081 63.200 -0.128 0.000 1.159 218 S HN 0.771 nan 8.310 nan 0.000 0.546 219 Q N -0.367 119.364 119.800 -0.115 0.000 0.649 219 Q HA -0.200 4.023 4.340 -0.196 0.000 0.360 219 Q C -0.390 175.556 176.000 -0.090 0.000 1.072 219 Q CA 1.127 56.878 55.803 -0.086 0.000 0.348 219 Q CB -0.750 27.948 28.738 -0.066 0.000 5.452 219 Q HN 1.062 nan 8.270 nan 0.000 0.368 220 A N 1.289 124.073 122.820 -0.059 0.000 2.488 220 A HA 0.251 4.453 4.320 -0.196 0.000 0.249 220 A C -0.505 177.067 177.584 -0.021 0.000 1.083 220 A CA 0.178 52.197 52.037 -0.029 0.000 0.768 220 A CB 0.125 19.115 19.000 -0.015 0.000 1.017 220 A HN 0.469 nan 8.150 nan 0.000 0.496 221 D N 1.418 121.832 120.400 0.023 0.000 2.629 221 D HA 0.016 4.538 4.640 -0.196 0.000 0.228 221 D C 0.869 177.212 176.300 0.070 0.000 1.127 221 D CA 0.943 54.988 54.000 0.074 0.000 0.855 221 D CB 0.460 41.366 40.800 0.177 0.000 1.180 221 D HN 0.623 nan 8.370 nan 0.000 0.484 222 R N 2.421 122.960 120.500 0.065 0.000 2.782 222 R HA 0.480 4.702 4.340 -0.196 0.000 0.258 222 R C 1.180 177.539 176.300 0.097 0.000 1.055 222 R CA -0.771 55.265 56.100 -0.107 0.000 1.065 222 R CB 0.763 30.827 30.300 -0.393 0.000 1.172 222 R HN 0.502 nan 8.270 nan 0.000 0.510 223 I N -2.340 118.172 120.570 -0.096 0.000 3.941 223 I HA 0.235 4.287 4.170 -0.196 0.000 0.321 223 I C -0.743 175.552 176.117 0.297 0.000 1.284 223 I CA -0.165 61.234 61.300 0.165 0.000 1.226 223 I CB 0.145 38.202 38.000 0.094 0.000 1.045 223 I HN 0.629 nan 8.210 nan 0.000 0.420 224 Y N -1.658 118.658 120.300 0.027 0.000 2.689 224 Y HA 0.564 4.996 4.550 -0.197 0.000 0.333 224 Y C -0.277 175.255 175.900 -0.613 0.000 1.208 224 Y CA -1.464 56.552 58.100 -0.140 0.000 1.055 224 Y CB 0.551 39.027 38.460 0.028 0.000 1.304 224 Y HN -0.215 nan 8.280 nan 0.000 0.455 225 L N -0.466 120.586 121.223 -0.284 0.000 2.265 225 L HA 0.213 4.435 4.340 -0.196 0.000 0.195 225 L C 0.008 176.517 176.870 -0.602 0.000 1.083 225 L CA 0.447 54.885 54.840 -0.670 0.000 0.798 225 L CB 0.289 41.899 42.059 -0.748 0.000 0.989 225 L HN 0.486 nan 8.230 nan 0.000 0.472 226 W N 0.800 122.136 121.300 0.060 0.000 2.475 226 W HA 0.211 4.751 4.660 -0.200 0.000 0.317 226 W C 1.059 177.412 176.519 -0.276 0.000 1.046 226 W CA -0.571 56.777 57.345 0.006 0.000 1.215 226 W CB 1.399 30.919 29.460 0.100 0.000 1.335 226 W HN 0.146 nan 8.180 nan 0.000 0.471 227 E N 2.883 122.856 120.200 -0.379 0.000 2.085 227 E HA -0.233 3.999 4.350 -0.196 0.000 0.194 227 E C 1.943 178.253 176.600 -0.484 0.000 0.994 227 E CA 1.687 57.556 56.400 -0.886 0.000 0.801 227 E CB 0.177 29.566 29.700 -0.518 0.000 0.743 227 E HN 0.455 nan 8.360 nan 0.000 0.453 228 K N -0.431 119.753 120.400 -0.360 0.000 2.362 228 K HA -0.121 4.081 4.320 -0.196 0.000 0.200 228 K C 0.452 176.630 176.600 -0.703 0.000 1.046 228 K CA 0.869 56.826 56.287 -0.550 0.000 0.952 228 K CB -0.218 31.875 32.500 -0.679 0.000 0.753 228 K HN 0.053 nan 8.250 nan 0.000 0.466 229 F N 1.992 121.909 119.950 -0.056 0.000 2.739 229 F HA 0.239 4.650 4.527 -0.195 0.000 0.345 229 F C 0.979 176.783 175.800 0.006 0.000 1.373 229 F CA -0.779 57.214 58.000 -0.013 0.000 1.160 229 F CB 0.954 39.965 39.000 0.020 0.000 1.137 229 F HN 0.031 nan 8.300 nan 0.000 0.524 230 S N -1.941 113.770 115.700 0.018 0.000 2.502 230 S HA 0.067 4.419 4.470 -0.196 0.000 0.215 230 S C 0.664 175.371 174.600 0.177 0.000 1.009 230 S CA -0.185 58.041 58.200 0.044 0.000 0.908 230 S CB -0.108 62.907 63.200 -0.307 0.000 0.801 230 S HN 0.278 nan 8.310 nan 0.000 0.505 231 N N 1.966 120.737 118.700 0.119 0.000 2.482 231 N HA 0.110 4.732 4.740 -0.196 0.000 0.242 231 N C 0.295 175.896 175.510 0.151 0.000 1.100 231 N CA -0.754 52.358 53.050 0.105 0.000 0.946 231 N CB 0.202 38.714 38.487 0.043 0.000 1.227 231 N HN 0.525 nan 8.380 nan 0.000 0.508 232 Y N 3.047 123.439 120.300 0.153 0.000 2.680 232 Y HA 0.143 4.576 4.550 -0.194 0.000 0.303 232 Y C 1.002 176.991 175.900 0.148 0.000 1.166 232 Y CA 0.827 59.020 58.100 0.154 0.000 1.344 232 Y CB 0.023 38.594 38.460 0.185 0.000 1.002 232 Y HN 0.324 nan 8.280 nan 0.000 0.537 233 K N 0.146 120.467 120.400 -0.132 0.000 2.243 233 K HA 0.056 4.259 4.320 -0.196 0.000 0.201 233 K C 0.277 176.909 176.600 0.053 0.000 1.051 233 K CA 0.807 57.054 56.287 -0.066 0.000 0.970 233 K CB -0.070 32.340 32.500 -0.150 0.000 0.755 233 K HN 0.159 nan 8.250 nan 0.000 0.465 234 T N 2.024 116.616 114.554 0.063 0.000 2.738 234 T HA 0.002 4.235 4.350 -0.196 0.000 0.293 234 T C 1.229 175.994 174.700 0.109 0.000 0.913 234 T CA -0.140 62.007 62.100 0.079 0.000 1.103 234 T CB 1.181 70.091 68.868 0.070 0.000 0.880 234 T HN 0.220 nan 8.240 nan 0.000 0.526 235 S N 3.067 118.839 115.700 0.121 0.000 2.447 235 S HA -0.070 4.282 4.470 -0.196 0.000 0.233 235 S C 2.366 176.970 174.600 0.007 0.000 1.006 235 S CA 0.447 58.706 58.200 0.098 0.000 0.957 235 S CB -0.328 62.985 63.200 0.189 0.000 0.773 235 S HN 0.743 nan 8.310 nan 0.000 0.507 236 A N 2.713 125.547 122.820 0.023 0.000 2.076 236 A HA -0.114 4.088 4.320 -0.196 0.000 0.220 236 A C 2.047 179.616 177.584 -0.026 0.000 1.160 236 A CA 1.536 53.566 52.037 -0.010 0.000 0.653 236 A CB -0.691 18.320 19.000 0.019 0.000 0.801 236 A HN 0.610 nan 8.150 nan 0.000 0.455 237 N N -0.379 118.347 118.700 0.044 0.000 2.354 237 N HA -0.041 4.582 4.740 -0.196 0.000 0.179 237 N C 1.359 176.868 175.510 -0.002 0.000 1.021 237 N CA 0.820 53.917 53.050 0.078 0.000 0.887 237 N CB -0.339 38.270 38.487 0.203 0.000 0.974 237 N HN 0.351 nan 8.380 nan 0.000 0.437 238 L N 0.786 121.987 121.223 -0.036 0.000 2.017 238 L HA -0.143 4.080 4.340 -0.196 0.000 0.208 238 L C 2.665 179.488 176.870 -0.079 0.000 1.073 238 L CA 1.736 56.520 54.840 -0.094 0.000 0.745 238 L CB -1.291 40.604 42.059 -0.274 0.000 0.894 238 L HN 0.291 nan 8.230 nan 0.000 0.432 239 T N -2.873 111.596 114.554 -0.141 0.000 2.942 239 T HA -0.022 4.210 4.350 -0.196 0.000 0.265 239 T C 1.923 176.514 174.700 -0.182 0.000 1.062 239 T CA 0.818 62.840 62.100 -0.130 0.000 1.139 239 T CB -0.249 68.520 68.868 -0.165 0.000 0.883 239 T HN 0.223 nan 8.240 nan 0.000 0.468 240 A N 1.336 123.969 122.820 -0.313 0.000 1.933 240 A HA -0.022 4.181 4.320 -0.196 0.000 0.218 240 A C 2.609 179.833 177.584 -0.599 0.000 1.175 240 A CA 2.256 53.932 52.037 -0.602 0.000 0.628 240 A CB -1.484 16.864 19.000 -1.088 0.000 0.814 240 A HN 0.577 nan 8.150 nan 0.000 0.444 241 T N -1.380 112.950 114.554 -0.374 0.000 2.737 241 T HA -0.126 4.107 4.350 -0.196 0.000 0.265 241 T C 1.715 176.318 174.700 -0.161 0.000 1.038 241 T CA 1.757 63.738 62.100 -0.198 0.000 1.144 241 T CB -0.424 68.399 68.868 -0.075 0.000 0.866 241 T HN 0.553 nan 8.240 nan 0.000 0.434 242 Y N 1.218 121.443 120.300 -0.125 0.000 2.293 242 Y HA 0.053 4.484 4.550 -0.199 0.000 0.291 242 Y C 2.600 178.422 175.900 -0.130 0.000 1.137 242 Y CA 0.653 58.694 58.100 -0.099 0.000 1.202 242 Y CB -0.207 38.178 38.460 -0.125 0.000 0.990 242 Y HN 0.040 nan 8.280 nan 0.000 0.537 243 R N 0.066 120.534 120.500 -0.053 0.000 2.148 243 R HA -0.128 4.095 4.340 -0.196 0.000 0.227 243 R C 1.962 178.156 176.300 -0.177 0.000 1.103 243 R CA 1.122 57.147 56.100 -0.124 0.000 0.983 243 R CB -0.083 30.106 30.300 -0.184 0.000 0.874 243 R HN 0.302 nan 8.270 nan 0.000 0.451 244 K N 0.260 120.499 120.400 -0.268 0.000 2.148 244 K HA -0.062 4.141 4.320 -0.196 0.000 0.204 244 K C 1.895 178.399 176.600 -0.159 0.000 1.050 244 K CA 0.968 57.051 56.287 -0.340 0.000 0.942 244 K CB 0.059 32.107 32.500 -0.753 0.000 0.724 244 K HN 0.141 nan 8.250 nan 0.000 0.446 245 L N 0.558 121.756 121.223 -0.040 0.000 2.109 245 L HA -0.105 4.117 4.340 -0.196 0.000 0.207 245 L C 2.538 179.422 176.870 0.023 0.000 1.086 245 L CA 1.017 55.883 54.840 0.044 0.000 0.760 245 L CB -0.341 41.785 42.059 0.111 0.000 0.910 245 L HN 0.249 nan 8.230 nan 0.000 0.437 246 E N 0.830 121.036 120.200 0.009 0.000 2.085 246 E HA -0.263 3.970 4.350 -0.196 0.000 0.194 246 E C 1.922 178.507 176.600 -0.025 0.000 0.994 246 E CA 1.505 57.905 56.400 0.001 0.000 0.801 246 E CB 0.110 29.803 29.700 -0.011 0.000 0.743 246 E HN 0.513 nan 8.360 nan 0.000 0.453 247 E N 0.183 120.346 120.200 -0.062 0.000 2.058 247 E HA -0.229 4.004 4.350 -0.196 0.000 0.194 247 E C 2.195 178.765 176.600 -0.050 0.000 0.997 247 E CA 1.671 58.029 56.400 -0.068 0.000 0.801 247 E CB -0.157 29.479 29.700 -0.105 0.000 0.746 247 E HN 0.341 nan 8.360 nan 0.000 0.450 248 M N 0.418 119.982 119.600 -0.061 0.000 2.106 248 M HA -0.236 4.127 4.480 -0.196 0.000 0.259 248 M C 2.476 178.769 176.300 -0.012 0.000 1.068 248 M CA 1.627 56.889 55.300 -0.063 0.000 1.100 248 M CB -0.319 32.248 32.600 -0.055 0.000 1.351 248 M HN 0.187 nan 8.290 nan 0.000 0.404 249 A N 0.366 123.196 122.820 0.017 0.000 1.902 249 A HA -0.178 4.024 4.320 -0.196 0.000 0.217 249 A C 2.077 179.703 177.584 0.069 0.000 1.181 249 A CA 1.739 53.810 52.037 0.056 0.000 0.623 249 A CB -0.500 18.549 19.000 0.083 0.000 0.818 249 A HN 0.435 nan 8.150 nan 0.000 0.443 250 K N -0.780 119.646 120.400 0.045 0.000 2.032 250 K HA -0.175 4.028 4.320 -0.196 0.000 0.209 250 K C 2.287 178.936 176.600 0.082 0.000 1.048 250 K CA 1.583 57.901 56.287 0.051 0.000 0.927 250 K CB -0.157 32.346 32.500 0.006 0.000 0.712 250 K HN 0.348 nan 8.250 nan 0.000 0.441 251 Q N 0.360 120.205 119.800 0.075 0.000 2.172 251 Q HA -0.058 4.164 4.340 -0.196 0.000 0.200 251 Q C 2.180 178.284 176.000 0.172 0.000 0.964 251 Q CA 0.785 56.661 55.803 0.122 0.000 0.855 251 Q CB -0.358 28.468 28.738 0.147 0.000 0.918 251 Q HN 0.122 nan 8.270 nan 0.000 0.444 252 V N 1.421 121.412 119.914 0.128 0.000 2.759 252 V HA -0.147 3.856 4.120 -0.196 0.000 0.256 252 V C 1.725 177.943 176.094 0.207 0.000 1.080 252 V CA 2.129 64.498 62.300 0.115 0.000 1.101 252 V CB -0.301 31.505 31.823 -0.028 0.000 0.698 252 V HN 0.550 nan 8.190 nan 0.000 0.477 253 T N -3.341 111.355 114.554 0.238 0.000 3.069 253 T HA 0.116 4.348 4.350 -0.196 0.000 0.252 253 T C 0.656 175.536 174.700 0.300 0.000 1.053 253 T CA -0.079 62.208 62.100 0.311 0.000 0.964 253 T CB -0.615 68.393 68.868 0.234 0.000 1.005 253 T HN 0.504 nan 8.240 nan 0.000 0.532 254 N N 2.138 120.974 118.700 0.226 0.000 2.437 254 N HA 0.219 4.841 4.740 -0.196 0.000 0.243 254 N C -2.036 173.347 175.510 -0.212 0.000 1.041 254 N CA -2.221 50.840 53.050 0.018 0.000 0.940 254 N CB 1.585 40.059 38.487 -0.021 0.000 1.133 254 N HN -0.111 nan 8.380 nan 0.000 0.506 255 P HA -0.109 nan 4.420 nan 0.000 0.218 255 P C 0.432 177.416 177.300 -0.527 0.000 1.146 255 P CA 1.195 63.583 63.100 -1.187 0.000 0.813 255 P CB 0.306 31.563 31.700 -0.738 0.000 0.778 256 S N -1.860 113.665 115.700 -0.291 0.000 2.575 256 S HA 0.059 4.411 4.470 -0.196 0.000 0.215 256 S C 0.964 175.470 174.600 -0.158 0.000 0.966 256 S CA -0.109 57.994 58.200 -0.161 0.000 0.911 256 S CB -0.404 62.792 63.200 -0.006 0.000 0.780 256 S HN 0.115 nan 8.310 nan 0.000 0.514 257 S N 2.009 117.619 115.700 -0.151 0.000 2.564 257 S HA 0.100 4.453 4.470 -0.196 0.000 0.278 257 S C 1.455 176.014 174.600 -0.067 0.000 1.333 257 S CA -0.693 57.462 58.200 -0.074 0.000 1.048 257 S CB 0.539 63.762 63.200 0.039 0.000 0.900 257 S HN 0.562 nan 8.310 nan 0.000 0.505 258 R N 3.024 123.402 120.500 -0.203 0.000 2.293 258 R HA -0.085 4.137 4.340 -0.196 0.000 0.219 258 R C 0.099 176.183 176.300 -0.361 0.000 1.091 258 R CA 1.610 57.521 56.100 -0.316 0.000 1.004 258 R CB -0.396 29.645 30.300 -0.431 0.000 0.865 258 R HN 0.736 nan 8.270 nan 0.000 0.469 259 Y N -0.714 119.619 120.300 0.056 0.000 2.485 259 Y HA 0.145 4.575 4.550 -0.200 0.000 0.260 259 Y C -0.100 175.845 175.900 0.075 0.000 1.173 259 Y CA -1.472 56.656 58.100 0.046 0.000 1.252 259 Y CB -0.327 38.147 38.460 0.023 0.000 1.123 259 Y HN -0.001 nan 8.280 nan 0.000 0.524 260 Y N 3.026 123.367 120.300 0.069 0.000 2.804 260 Y HA -0.075 4.367 4.550 -0.179 0.000 0.338 260 Y C 0.965 176.900 175.900 0.058 0.000 1.252 260 Y CA -0.069 58.063 58.100 0.054 0.000 1.576 260 Y CB -0.214 38.259 38.460 0.023 0.000 1.223 260 Y HN 0.420 nan 8.280 nan 0.000 0.536 261 Q N 2.316 121.920 119.800 -0.327 0.000 2.437 261 Q HA -0.364 3.858 4.340 -0.196 0.000 0.274 261 Q C -0.472 175.447 176.000 -0.135 0.000 1.165 261 Q CA 1.287 56.911 55.803 -0.298 0.000 0.925 261 Q CB -1.329 27.122 28.738 -0.479 0.000 1.327 261 Q HN 0.854 nan 8.270 nan 0.000 0.505 262 D N 0.283 120.652 120.400 -0.052 0.000 2.417 262 D HA 0.061 4.584 4.640 -0.196 0.000 0.250 262 D C 1.195 177.469 176.300 -0.043 0.000 1.166 262 D CA 0.500 54.502 54.000 0.003 0.000 0.881 262 D CB 0.895 41.765 40.800 0.116 0.000 1.164 262 D HN 0.283 nan 8.370 nan 0.000 0.467 263 E N 1.212 121.393 120.200 -0.031 0.000 2.153 263 E HA -0.190 4.043 4.350 -0.196 0.000 0.194 263 E C 1.453 178.023 176.600 -0.052 0.000 0.988 263 E CA 1.395 57.767 56.400 -0.046 0.000 0.811 263 E CB -0.346 29.339 29.700 -0.025 0.000 0.746 263 E HN 0.441 nan 8.360 nan 0.000 0.466 264 T N 0.484 115.021 114.554 -0.028 0.000 2.737 264 T HA -0.088 4.144 4.350 -0.196 0.000 0.265 264 T C 1.973 176.641 174.700 -0.053 0.000 1.038 264 T CA 1.389 63.470 62.100 -0.031 0.000 1.144 264 T CB -0.337 68.529 68.868 -0.005 0.000 0.866 264 T HN 0.052 nan 8.240 nan 0.000 0.434 265 V N 1.370 121.251 119.914 -0.055 0.000 2.407 265 V HA -0.136 3.867 4.120 -0.196 0.000 0.248 265 V C 2.668 178.689 176.094 -0.122 0.000 1.055 265 V CA 1.214 63.461 62.300 -0.089 0.000 1.049 265 V CB -0.720 31.048 31.823 -0.092 0.000 0.662 265 V HN 0.311 nan 8.190 nan 0.000 0.455 266 V N 0.184 119.989 119.914 -0.180 0.000 2.343 266 V HA -0.251 3.752 4.120 -0.196 0.000 0.247 266 V C 2.579 178.559 176.094 -0.189 0.000 1.051 266 V CA 2.410 64.539 62.300 -0.286 0.000 1.036 266 V CB -0.795 30.776 31.823 -0.420 0.000 0.654 266 V HN 0.512 nan 8.190 nan 0.000 0.451 267 R N -0.170 120.255 120.500 -0.126 0.000 2.090 267 R HA -0.137 4.085 4.340 -0.196 0.000 0.228 267 R C 2.252 178.515 176.300 -0.061 0.000 1.110 267 R CA 1.918 57.968 56.100 -0.083 0.000 0.973 267 R CB -0.408 29.857 30.300 -0.060 0.000 0.869 267 R HN 0.509 nan 8.270 nan 0.000 0.440 268 T N 0.526 115.042 114.554 -0.064 0.000 2.821 268 T HA -0.056 4.176 4.350 -0.196 0.000 0.267 268 T C 1.784 176.472 174.700 -0.019 0.000 1.046 268 T CA 1.311 63.380 62.100 -0.053 0.000 1.139 268 T CB 0.003 68.839 68.868 -0.053 0.000 0.871 268 T HN 0.040 nan 8.240 nan 0.000 0.454 269 V N 1.226 121.136 119.914 -0.006 0.000 2.379 269 V HA -0.088 3.914 4.120 -0.196 0.000 0.245 269 V C 2.587 178.752 176.094 0.119 0.000 1.044 269 V CA 1.408 63.747 62.300 0.064 0.000 1.036 269 V CB -0.493 31.381 31.823 0.085 0.000 0.664 269 V HN 0.350 nan 8.190 nan 0.000 0.453 270 R N 0.294 120.830 120.500 0.060 0.000 2.070 270 R HA -0.156 4.066 4.340 -0.196 0.000 0.233 270 R C 2.113 178.480 176.300 0.112 0.000 1.137 270 R CA 1.913 58.064 56.100 0.086 0.000 0.945 270 R CB -0.521 29.726 30.300 -0.088 0.000 0.845 270 R HN 0.512 nan 8.270 nan 0.000 0.430 271 D N 0.130 120.566 120.400 0.060 0.000 2.144 271 D HA -0.085 4.438 4.640 -0.196 0.000 0.199 271 D C 1.872 178.225 176.300 0.088 0.000 0.984 271 D CA 1.169 55.216 54.000 0.078 0.000 0.834 271 D CB -0.231 40.583 40.800 0.023 0.000 0.955 271 D HN 0.066 nan 8.370 nan 0.000 0.465 272 S N 0.189 115.908 115.700 0.031 0.000 2.402 272 S HA -0.066 4.287 4.470 -0.196 0.000 0.229 272 S C 1.911 176.559 174.600 0.079 0.000 1.021 272 S CA 0.627 58.839 58.200 0.020 0.000 0.974 272 S CB 0.020 63.200 63.200 -0.032 0.000 0.800 272 S HN 0.202 nan 8.310 nan 0.000 0.484 273 M N 1.036 120.657 119.600 0.034 0.000 2.123 273 M HA -0.003 4.360 4.480 -0.196 0.000 0.263 273 M C 2.290 178.545 176.300 -0.075 0.000 1.069 273 M CA 1.390 56.617 55.300 -0.122 0.000 1.133 273 M CB -1.211 31.098 32.600 -0.485 0.000 1.356 273 M HN 0.253 nan 8.290 nan 0.000 0.415 274 E N -0.527 119.718 120.200 0.075 0.000 2.031 274 E HA -0.236 3.997 4.350 -0.196 0.000 0.193 274 E C 1.892 178.677 176.600 0.308 0.000 0.994 274 E CA 1.821 58.441 56.400 0.365 0.000 0.800 274 E CB -0.515 29.410 29.700 0.375 0.000 0.752 274 E HN 0.431 nan 8.360 nan 0.000 0.447 275 W N 0.299 121.618 121.300 0.032 0.000 2.318 275 W HA -0.270 4.270 4.660 -0.200 0.000 0.313 275 W C 2.007 178.484 176.519 -0.071 0.000 1.221 275 W CA 2.352 59.636 57.345 -0.102 0.000 1.266 275 W CB -0.206 29.129 29.460 -0.208 0.000 1.150 275 W HN 0.146 nan 8.180 nan 0.000 0.496 276 M N -0.881 118.900 119.600 0.302 0.000 2.117 276 M HA -0.225 4.137 4.480 -0.196 0.000 0.262 276 M C 2.059 178.471 176.300 0.186 0.000 1.065 276 M CA 2.334 57.749 55.300 0.192 0.000 1.114 276 M CB -2.193 30.479 32.600 0.120 0.000 1.361 276 M HN 0.273 nan 8.290 nan 0.000 0.408 277 H N 1.502 120.694 119.070 0.204 0.000 2.352 277 H HA -0.189 4.251 4.556 -0.193 0.000 0.299 277 H C 1.973 177.367 175.328 0.109 0.000 1.097 277 H CA 2.746 58.937 56.048 0.238 0.000 1.311 277 H CB -0.091 29.923 29.762 0.420 0.000 1.377 277 H HN 0.493 nan 8.280 nan 0.000 0.504 278 K N -1.332 118.972 120.400 -0.160 0.000 2.211 278 K HA -0.034 4.168 4.320 -0.196 0.000 0.201 278 K C 1.451 177.938 176.600 -0.189 0.000 1.052 278 K CA 1.417 57.564 56.287 -0.233 0.000 0.973 278 K CB -0.119 32.333 32.500 -0.080 0.000 0.766 278 K HN 0.519 nan 8.250 nan 0.000 0.466 279 H N -0.677 118.048 119.070 -0.575 0.000 2.750 279 H HA 0.184 4.622 4.556 -0.195 0.000 0.263 279 H C 1.159 176.136 175.328 -0.585 0.000 0.964 279 H CA 0.424 56.077 56.048 -0.659 0.000 1.205 279 H CB 1.210 30.308 29.762 -1.107 0.000 1.454 279 H HN 0.021 nan 8.280 nan 0.000 0.503 280 V N -0.847 118.885 119.914 -0.302 0.000 3.251 280 V HA 0.012 4.015 4.120 -0.196 0.000 0.239 280 V C -0.751 175.373 176.094 0.049 0.000 1.332 280 V CA 0.188 62.310 62.300 -0.295 0.000 1.224 280 V CB 0.858 32.583 31.823 -0.163 0.000 1.004 280 V HN 0.199 nan 8.190 nan 0.000 0.464 281 Y N 3.965 124.277 120.300 0.019 0.000 2.422 281 Y HA 0.529 4.960 4.550 -0.198 0.000 0.344 281 Y C -0.449 175.582 175.900 0.218 0.000 1.097 281 Y CA -1.335 56.855 58.100 0.151 0.000 1.307 281 Y CB 0.561 39.131 38.460 0.183 0.000 1.102 281 Y HN 0.451 nan 8.280 nan 0.000 0.520 282 N N 0.354 119.031 118.700 -0.039 0.000 3.157 282 N HA 0.253 4.875 4.740 -0.196 0.000 0.291 282 N C -0.205 175.294 175.510 -0.019 0.000 1.515 282 N CA -0.720 52.308 53.050 -0.037 0.000 0.807 282 N CB 1.406 39.854 38.487 -0.066 0.000 1.672 282 N HN 0.136 nan 8.380 nan 0.000 0.592 283 S N -0.095 115.578 115.700 -0.045 0.000 2.447 283 S HA -0.088 4.265 4.470 -0.196 0.000 0.233 283 S C 0.822 175.361 174.600 -0.101 0.000 1.006 283 S CA 1.187 59.314 58.200 -0.121 0.000 0.957 283 S CB -0.320 62.813 63.200 -0.111 0.000 0.773 283 S HN 0.513 nan 8.310 nan 0.000 0.507 284 E N 1.118 121.292 120.200 -0.044 0.000 2.482 284 E HA 0.095 4.327 4.350 -0.196 0.000 0.196 284 E C 0.353 176.971 176.600 0.029 0.000 1.047 284 E CA 0.521 56.906 56.400 -0.025 0.000 0.869 284 E CB 0.068 29.750 29.700 -0.030 0.000 0.836 284 E HN 0.233 nan 8.360 nan 0.000 0.520 285 K N 0.349 120.813 120.400 0.106 0.000 2.126 285 K HA 0.399 4.601 4.320 -0.196 0.000 0.257 285 K C 0.182 176.953 176.600 0.284 0.000 1.007 285 K CA -0.250 56.180 56.287 0.238 0.000 0.928 285 K CB 1.563 34.300 32.500 0.396 0.000 1.013 285 K HN -0.138 nan 8.250 nan 0.000 0.473 286 S N 0.564 116.398 115.700 0.224 0.000 2.689 286 S HA 0.524 4.877 4.470 -0.196 0.000 0.306 286 S C 0.270 174.844 174.600 -0.044 0.000 1.104 286 S CA -0.819 57.467 58.200 0.143 0.000 0.973 286 S CB 1.044 64.279 63.200 0.059 0.000 1.121 286 S HN 0.369 nan 8.310 nan 0.000 0.523 287 I N 2.043 122.467 120.570 -0.243 0.000 2.533 287 I HA 0.209 4.261 4.170 -0.196 0.000 0.284 287 I C -0.821 175.080 176.117 -0.362 0.000 1.109 287 I CA -0.102 60.729 61.300 -0.781 0.000 1.412 287 I CB 0.407 38.089 38.000 -0.529 0.000 1.396 287 I HN 0.120 nan 8.210 nan 0.000 0.543 288 V N 6.098 125.849 119.914 -0.273 0.000 2.531 288 V HA 0.800 4.803 4.120 -0.196 0.000 0.301 288 V C 0.571 176.721 176.094 0.093 0.000 1.034 288 V CA 0.186 62.484 62.300 -0.003 0.000 0.865 288 V CB 0.845 32.723 31.823 0.091 0.000 0.995 288 V HN 1.160 nan 8.190 nan 0.000 0.424 289 G N 5.571 114.399 108.800 0.045 0.000 2.662 289 G HA2 -0.178 3.665 3.960 -0.196 0.000 0.236 289 G HA3 -0.178 3.665 3.960 -0.196 0.000 0.236 289 G C -0.365 174.560 174.900 0.043 0.000 1.212 289 G CA 0.190 45.328 45.100 0.064 0.000 0.968 289 G HN 1.381 nan 8.290 nan 0.000 0.576 290 N N 0.984 119.728 118.700 0.073 0.000 2.361 290 N HA 0.749 5.372 4.740 -0.196 0.000 0.302 290 N C 0.972 176.523 175.510 0.068 0.000 1.074 290 N CA 0.796 53.869 53.050 0.038 0.000 0.850 290 N CB 1.835 40.331 38.487 0.016 0.000 1.228 290 N HN 1.395 nan 8.380 nan 0.000 0.491 291 A N 2.362 125.189 122.820 0.012 0.000 2.014 291 A HA 0.111 4.313 4.320 -0.196 0.000 0.218 291 A C 2.058 179.641 177.584 -0.001 0.000 1.163 291 A CA 1.367 53.411 52.037 0.012 0.000 0.652 291 A CB -1.244 17.736 19.000 -0.033 0.000 0.808 291 A HN 0.894 nan 8.150 nan 0.000 0.449 292 A N 0.335 123.128 122.820 -0.046 0.000 1.978 292 A HA -0.227 3.976 4.320 -0.196 0.000 0.220 292 A C 1.749 179.288 177.584 -0.076 0.000 1.170 292 A CA 1.838 53.819 52.037 -0.094 0.000 0.636 292 A CB -0.500 18.462 19.000 -0.063 0.000 0.810 292 A HN 0.520 nan 8.150 nan 0.000 0.448 293 D N -1.281 119.097 120.400 -0.036 0.000 2.097 293 D HA -0.153 4.370 4.640 -0.196 0.000 0.195 293 D C 1.617 177.786 176.300 -0.218 0.000 0.989 293 D CA 1.487 55.416 54.000 -0.118 0.000 0.827 293 D CB -0.352 40.382 40.800 -0.111 0.000 0.966 293 D HN 0.617 nan 8.370 nan 0.000 0.456 294 Y N 1.091 121.259 120.300 -0.220 0.000 2.373 294 Y HA -0.035 4.399 4.550 -0.195 0.000 0.293 294 Y C 2.183 177.983 175.900 -0.168 0.000 1.129 294 Y CA 0.852 58.765 58.100 -0.311 0.000 1.226 294 Y CB 0.169 38.328 38.460 -0.501 0.000 1.000 294 Y HN 0.029 nan 8.280 nan 0.000 0.549 295 E N -1.745 118.478 120.200 0.038 0.000 2.372 295 E HA 0.039 4.272 4.350 -0.196 0.000 0.201 295 E C 0.881 177.513 176.600 0.053 0.000 0.938 295 E CA 0.307 56.764 56.400 0.096 0.000 0.944 295 E CB 0.414 30.104 29.700 -0.016 0.000 0.937 295 E HN 0.213 nan 8.360 nan 0.000 0.495 296 I N -0.808 119.735 120.570 -0.046 0.000 3.674 296 I HA 0.157 4.210 4.170 -0.196 0.000 0.248 296 I C 2.260 178.347 176.117 -0.049 0.000 1.134 296 I CA 0.897 62.182 61.300 -0.024 0.000 1.519 296 I CB -1.446 36.515 38.000 -0.064 0.000 1.598 296 I HN 0.053 nan 8.210 nan 0.000 0.442 297 G N 0.589 109.332 108.800 -0.094 0.000 2.421 297 G HA2 -0.193 3.649 3.960 -0.196 0.000 0.216 297 G HA3 -0.193 3.649 3.960 -0.196 0.000 0.216 297 G C 1.594 176.400 174.900 -0.156 0.000 1.171 297 G CA 1.751 46.785 45.100 -0.110 0.000 0.775 297 G HN 0.338 nan 8.290 nan 0.000 0.543 298 T N 1.735 116.139 114.554 -0.251 0.000 2.732 298 T HA -0.018 4.215 4.350 -0.196 0.000 0.261 298 T C 0.242 174.726 174.700 -0.360 0.000 1.040 298 T CA 1.430 63.284 62.100 -0.411 0.000 1.145 298 T CB -0.767 67.650 68.868 -0.751 0.000 0.866 298 T HN 0.181 nan 8.240 nan 0.000 0.427 299 P HA -0.103 nan 4.420 nan 0.000 0.215 299 P C 1.486 178.753 177.300 -0.054 0.000 1.163 299 P CA 1.412 64.477 63.100 -0.059 0.000 0.894 299 P CB -0.063 31.669 31.700 0.053 0.000 0.791 300 R N -0.638 119.847 120.500 -0.025 0.000 2.103 300 R HA -0.134 4.089 4.340 -0.196 0.000 0.242 300 R C 2.318 178.623 176.300 0.008 0.000 1.142 300 R CA 1.740 57.854 56.100 0.023 0.000 0.960 300 R CB -1.114 29.209 30.300 0.038 0.000 0.858 300 R HN 0.174 nan 8.270 nan 0.000 0.439 301 A N 0.861 123.643 122.820 -0.063 0.000 1.930 301 A HA -0.097 4.105 4.320 -0.196 0.000 0.217 301 A C 2.132 179.672 177.584 -0.073 0.000 1.175 301 A CA 1.063 53.066 52.037 -0.057 0.000 0.627 301 A CB -0.358 18.602 19.000 -0.067 0.000 0.815 301 A HN 0.182 nan 8.150 nan 0.000 0.443 302 I N 0.008 120.468 120.570 -0.184 0.000 2.252 302 I HA -0.235 3.817 4.170 -0.196 0.000 0.245 302 I C 2.087 178.165 176.117 -0.065 0.000 1.102 302 I CA 1.054 62.245 61.300 -0.181 0.000 1.385 302 I CB -0.412 37.424 38.000 -0.274 0.000 1.064 302 I HN 0.291 nan 8.210 nan 0.000 0.414 303 N N 1.088 119.775 118.700 -0.021 0.000 2.120 303 N HA -0.159 4.463 4.740 -0.196 0.000 0.188 303 N C 1.585 177.157 175.510 0.103 0.000 1.024 303 N CA 1.277 54.342 53.050 0.026 0.000 0.852 303 N CB -0.554 37.949 38.487 0.027 0.000 1.003 303 N HN 0.313 nan 8.380 nan 0.000 0.424 304 N N 0.086 118.871 118.700 0.141 0.000 2.188 304 N HA -0.043 4.580 4.740 -0.196 0.000 0.184 304 N C 1.616 177.195 175.510 0.115 0.000 1.018 304 N CA 0.982 54.146 53.050 0.190 0.000 0.858 304 N CB -0.681 37.888 38.487 0.137 0.000 0.989 304 N HN 0.213 nan 8.380 nan 0.000 0.426 305 T N 1.600 116.191 114.554 0.061 0.000 2.652 305 T HA -0.042 4.190 4.350 -0.196 0.000 0.267 305 T C 2.047 176.776 174.700 0.048 0.000 1.039 305 T CA 0.841 62.973 62.100 0.053 0.000 1.153 305 T CB -0.366 68.521 68.868 0.031 0.000 0.863 305 T HN 0.139 nan 8.240 nan 0.000 0.428 306 L N 0.742 121.945 121.223 -0.033 0.000 2.083 306 L HA -0.099 4.124 4.340 -0.196 0.000 0.209 306 L C 2.868 179.780 176.870 0.070 0.000 1.083 306 L CA 1.107 55.896 54.840 -0.085 0.000 0.752 306 L CB -0.571 41.399 42.059 -0.148 0.000 0.899 306 L HN 0.282 nan 8.230 nan 0.000 0.433 307 S N 0.016 115.786 115.700 0.117 0.000 2.357 307 S HA -0.079 4.273 4.470 -0.196 0.000 0.221 307 S C 2.016 176.730 174.600 0.191 0.000 1.031 307 S CA 0.830 59.135 58.200 0.176 0.000 0.982 307 S CB -0.133 63.232 63.200 0.275 0.000 0.853 307 S HN 0.270 nan 8.310 nan 0.000 0.458 308 L N 0.535 121.865 121.223 0.179 0.000 2.046 308 L HA 0.030 4.253 4.340 -0.196 0.000 0.208 308 L C 2.093 179.097 176.870 0.224 0.000 1.077 308 L CA 1.222 56.166 54.840 0.173 0.000 0.747 308 L CB -0.277 41.865 42.059 0.137 0.000 0.896 308 L HN 0.357 nan 8.230 nan 0.000 0.432 309 M N -0.010 119.754 119.600 0.272 0.000 2.626 309 M HA 0.027 4.389 4.480 -0.196 0.000 0.262 309 M C 1.485 178.074 176.300 0.483 0.000 1.256 309 M CA 0.042 55.601 55.300 0.432 0.000 0.981 309 M CB 0.210 33.099 32.600 0.481 0.000 1.492 309 M HN 0.173 nan 8.290 nan 0.000 0.474 310 K N -0.151 120.431 120.400 0.302 0.000 2.280 310 K HA -0.122 4.081 4.320 -0.196 0.000 0.202 310 K C 0.717 177.433 176.600 0.193 0.000 1.047 310 K CA 1.240 57.677 56.287 0.251 0.000 0.942 310 K CB -0.135 32.461 32.500 0.160 0.000 0.739 310 K HN 0.422 nan 8.250 nan 0.000 0.457 311 E N -0.191 120.065 120.200 0.094 0.000 2.502 311 E HA -0.040 4.193 4.350 -0.196 0.000 0.194 311 E C 0.243 176.659 176.600 -0.307 0.000 1.062 311 E CA 0.327 56.657 56.400 -0.117 0.000 0.867 311 E CB 0.085 29.653 29.700 -0.220 0.000 0.888 311 E HN 0.455 nan 8.360 nan 0.000 0.510 312 Y N -1.538 118.811 120.300 0.082 0.000 2.445 312 Y HA 0.230 4.774 4.550 -0.010 0.000 0.247 312 Y C 0.162 175.909 175.900 -0.255 0.000 1.129 312 Y CA -0.281 57.766 58.100 -0.089 0.000 1.251 312 Y CB 0.651 39.011 38.460 -0.167 0.000 1.176 312 Y HN -0.117 nan 8.280 nan 0.000 0.522 313 F N -0.121 119.935 119.950 0.178 0.000 2.507 313 F HA 0.460 4.883 4.527 -0.174 0.000 0.327 313 F C 0.609 176.459 175.800 0.083 0.000 1.068 313 F CA -1.453 56.636 58.000 0.147 0.000 0.965 313 F CB 1.314 40.421 39.000 0.179 0.000 1.192 313 F HN -0.291 nan 8.300 nan 0.000 0.476 314 S N 0.060 115.910 115.700 0.249 0.000 2.632 314 S HA 0.180 4.533 4.470 -0.196 0.000 0.271 314 S C 0.537 175.206 174.600 0.114 0.000 1.260 314 S CA -0.785 57.495 58.200 0.134 0.000 1.010 314 S CB 1.107 64.356 63.200 0.081 0.000 0.965 314 S HN 0.608 nan 8.310 nan 0.000 0.534 315 D N 1.268 121.704 120.400 0.060 0.000 2.158 315 D HA -0.120 4.403 4.640 -0.196 0.000 0.197 315 D C 1.648 177.944 176.300 -0.007 0.000 0.995 315 D CA 1.649 55.663 54.000 0.023 0.000 0.846 315 D CB -0.251 40.553 40.800 0.005 0.000 0.941 315 D HN 0.715 nan 8.370 nan 0.000 0.456 316 E N 0.824 121.018 120.200 -0.010 0.000 2.106 316 E HA -0.108 4.124 4.350 -0.196 0.000 0.192 316 E C 2.013 178.556 176.600 -0.094 0.000 0.984 316 E CA 0.672 57.044 56.400 -0.046 0.000 0.806 316 E CB -0.211 29.468 29.700 -0.036 0.000 0.750 316 E HN 0.409 nan 8.360 nan 0.000 0.458 317 E N 0.256 120.425 120.200 -0.052 0.000 2.072 317 E HA -0.112 4.120 4.350 -0.196 0.000 0.191 317 E C 2.032 178.530 176.600 -0.171 0.000 0.985 317 E CA 0.773 57.092 56.400 -0.135 0.000 0.801 317 E CB -0.135 29.679 29.700 0.190 0.000 0.750 317 E HN 0.228 nan 8.360 nan 0.000 0.452 318 I N 1.033 121.594 120.570 -0.014 0.000 2.264 318 I HA -0.309 3.744 4.170 -0.196 0.000 0.248 318 I C 2.474 178.546 176.117 -0.075 0.000 1.111 318 I CA 1.173 62.456 61.300 -0.030 0.000 1.382 318 I CB -0.121 37.880 38.000 0.002 0.000 1.060 318 I HN 0.015 nan 8.210 nan 0.000 0.418 319 K N 1.139 121.480 120.400 -0.099 0.000 2.057 319 K HA -0.188 4.014 4.320 -0.196 0.000 0.206 319 K C 2.251 178.761 176.600 -0.151 0.000 1.050 319 K CA 1.229 57.453 56.287 -0.106 0.000 0.935 319 K CB -0.023 32.422 32.500 -0.093 0.000 0.715 319 K HN 0.024 nan 8.250 nan 0.000 0.439 320 K N -0.321 119.923 120.400 -0.260 0.000 2.009 320 K HA -0.185 4.018 4.320 -0.196 0.000 0.210 320 K C 1.905 178.258 176.600 -0.411 0.000 1.049 320 K CA 1.778 57.820 56.287 -0.408 0.000 0.929 320 K CB -0.188 31.911 32.500 -0.668 0.000 0.714 320 K HN 0.213 nan 8.250 nan 0.000 0.440 321 Y N 0.322 120.507 120.300 -0.192 0.000 2.457 321 Y HA -0.075 4.351 4.550 -0.206 0.000 0.292 321 Y C 2.316 178.170 175.900 -0.077 0.000 1.125 321 Y CA 1.343 59.351 58.100 -0.154 0.000 1.254 321 Y CB -0.471 37.903 38.460 -0.142 0.000 1.012 321 Y HN 0.252 nan 8.280 nan 0.000 0.555 322 T N -4.442 110.128 114.554 0.027 0.000 3.086 322 T HA 0.026 4.259 4.350 -0.196 0.000 0.250 322 T C 1.211 175.916 174.700 0.007 0.000 1.074 322 T CA 0.278 62.391 62.100 0.023 0.000 0.988 322 T CB -0.030 68.835 68.868 -0.005 0.000 0.988 322 T HN 0.033 nan 8.240 nan 0.000 0.530 323 D N 1.550 121.938 120.400 -0.019 0.000 2.149 323 D HA -0.083 4.439 4.640 -0.196 0.000 0.198 323 D C 2.159 178.452 176.300 -0.012 0.000 0.990 323 D CA 0.753 54.738 54.000 -0.025 0.000 0.839 323 D CB -0.388 40.390 40.800 -0.036 0.000 0.948 323 D HN 0.304 nan 8.370 nan 0.000 0.460 324 V N 0.897 120.814 119.914 0.004 0.000 2.490 324 V HA -0.213 3.789 4.120 -0.196 0.000 0.250 324 V C 2.239 178.400 176.094 0.111 0.000 1.061 324 V CA 1.151 63.441 62.300 -0.018 0.000 1.064 324 V CB -0.276 31.442 31.823 -0.174 0.000 0.670 324 V HN 0.141 nan 8.190 nan 0.000 0.461 325 I N -0.185 120.464 120.570 0.132 0.000 2.315 325 I HA -0.143 3.910 4.170 -0.196 0.000 0.248 325 I C 2.541 178.743 176.117 0.142 0.000 1.117 325 I CA 1.393 62.808 61.300 0.191 0.000 1.404 325 I CB -0.392 37.686 38.000 0.130 0.000 1.071 325 I HN 0.321 nan 8.210 nan 0.000 0.419 326 E N 0.785 121.021 120.200 0.060 0.000 2.150 326 E HA -0.209 4.023 4.350 -0.196 0.000 0.193 326 E C 1.988 178.583 176.600 -0.008 0.000 0.985 326 E CA 0.767 57.180 56.400 0.022 0.000 0.814 326 E CB -0.260 29.434 29.700 -0.011 0.000 0.752 326 E HN 0.416 nan 8.360 nan 0.000 0.466 327 K N 0.350 120.710 120.400 -0.067 0.000 2.001 327 K HA -0.080 4.122 4.320 -0.196 0.000 0.208 327 K C 1.897 178.365 176.600 -0.220 0.000 1.048 327 K CA 0.869 57.029 56.287 -0.213 0.000 0.932 327 K CB -0.190 32.074 32.500 -0.393 0.000 0.715 327 K HN 0.040 nan 8.250 nan 0.000 0.437 328 F N 0.606 120.602 119.950 0.076 0.000 2.502 328 F HA -0.025 4.384 4.527 -0.197 0.000 0.298 328 F C 0.891 176.795 175.800 0.173 0.000 1.111 328 F CA 0.425 58.507 58.000 0.136 0.000 1.445 328 F CB 0.469 39.599 39.000 0.217 0.000 1.081 328 F HN -0.235 nan 8.300 nan 0.000 0.558 329 V N 0.825 120.910 119.914 0.285 0.000 2.666 329 V HA 0.158 4.161 4.120 -0.196 0.000 0.269 329 V C -1.980 174.182 176.094 0.112 0.000 0.926 329 V CA -0.814 61.634 62.300 0.247 0.000 1.035 329 V CB 0.928 32.929 31.823 0.296 0.000 1.099 329 V HN -0.121 nan 8.190 nan 0.000 0.519 330 P HA 0.106 nan 4.420 nan 0.000 0.226 330 P C 0.227 177.532 177.300 0.008 0.000 1.161 330 P CA 0.834 63.948 63.100 0.023 0.000 0.804 330 P CB 0.691 32.395 31.700 0.007 0.000 0.829 331 D N -0.379 120.025 120.400 0.007 0.000 2.217 331 D HA 0.194 4.716 4.640 -0.196 0.000 0.243 331 D C -1.556 174.702 176.300 -0.071 0.000 1.054 331 D CA -2.427 51.570 54.000 -0.005 0.000 0.838 331 D CB 1.865 42.698 40.800 0.055 0.000 1.162 331 D HN -0.177 nan 8.370 nan 0.000 0.472 332 P HA -0.153 nan 4.420 nan 0.000 0.216 332 P C 0.641 177.826 177.300 -0.191 0.000 1.154 332 P CA 1.440 64.473 63.100 -0.111 0.000 0.865 332 P CB 0.723 32.379 31.700 -0.075 0.000 0.789 333 E N -2.056 118.029 120.200 -0.192 0.000 2.035 333 E HA -0.009 4.224 4.350 -0.196 0.000 0.191 333 E C 0.474 176.861 176.600 -0.355 0.000 0.966 333 E CA 0.448 56.668 56.400 -0.301 0.000 0.823 333 E CB -0.576 28.893 29.700 -0.385 0.000 0.791 333 E HN 0.387 nan 8.360 nan 0.000 0.459 334 H N -0.855 118.134 119.070 -0.136 0.000 2.652 334 H HA 0.205 4.643 4.556 -0.196 0.000 0.349 334 H C -0.936 174.356 175.328 -0.060 0.000 1.099 334 H CA -0.208 55.797 56.048 -0.072 0.000 1.417 334 H CB 0.432 30.185 29.762 -0.015 0.000 1.457 334 H HN -0.007 nan 8.280 nan 0.000 0.568 335 F N 2.045 122.072 119.950 0.130 0.000 2.444 335 F HA 0.379 4.788 4.527 -0.197 0.000 0.342 335 F C 0.832 176.684 175.800 0.087 0.000 1.121 335 F CA -0.914 57.143 58.000 0.094 0.000 0.997 335 F CB 1.018 40.057 39.000 0.065 0.000 1.130 335 F HN 0.640 nan 8.300 nan 0.000 0.454 336 R N 2.316 123.038 120.500 0.370 0.000 3.773 336 R HA -0.173 4.049 4.340 -0.196 0.000 0.382 336 R C 1.486 177.875 176.300 0.149 0.000 1.115 336 R CA 0.508 56.727 56.100 0.199 0.000 0.949 336 R CB -0.737 29.631 30.300 0.113 0.000 1.576 336 R HN 0.705 nan 8.270 nan 0.000 0.515 337 K N 0.531 121.023 120.400 0.153 0.000 2.211 337 K HA -0.119 4.083 4.320 -0.196 0.000 0.204 337 K C 1.573 178.194 176.600 0.035 0.000 1.047 337 K CA 1.976 58.306 56.287 0.073 0.000 0.935 337 K CB -0.001 32.534 32.500 0.058 0.000 0.728 337 K HN 0.498 nan 8.250 nan 0.000 0.452 338 T N -1.698 112.884 114.554 0.048 0.000 3.088 338 T HA -0.034 4.198 4.350 -0.196 0.000 0.259 338 T C 1.174 175.882 174.700 0.014 0.000 1.122 338 T CA 0.494 62.595 62.100 0.002 0.000 1.095 338 T CB -0.417 68.416 68.868 -0.057 0.000 0.930 338 T HN 0.224 nan 8.240 nan 0.000 0.508 339 T N 0.131 114.708 114.554 0.039 0.000 2.698 339 T HA 0.214 4.446 4.350 -0.196 0.000 0.295 339 T C 0.337 175.041 174.700 0.007 0.000 1.007 339 T CA -0.368 61.745 62.100 0.023 0.000 0.980 339 T CB 0.306 69.190 68.868 0.026 0.000 1.036 339 T HN -0.082 nan 8.240 nan 0.000 0.526 340 D N 0.297 120.698 120.400 0.001 0.000 2.319 340 D HA 0.160 4.682 4.640 -0.196 0.000 0.230 340 D C -0.116 176.183 176.300 -0.003 0.000 1.094 340 D CA 0.219 54.217 54.000 -0.004 0.000 0.856 340 D CB -0.557 40.240 40.800 -0.006 0.000 0.915 340 D HN 0.648 nan 8.370 nan 0.000 0.517 341 N N 0.011 118.713 118.700 0.003 0.000 2.622 341 N HA 0.143 4.766 4.740 -0.196 0.000 0.293 341 N C -2.703 172.820 175.510 0.020 0.000 1.788 341 N CA -0.822 52.231 53.050 0.006 0.000 0.860 341 N CB 1.349 39.836 38.487 0.000 0.000 1.388 341 N HN -0.090 nan 8.380 nan 0.000 0.496 342 P HA -0.089 nan 4.420 nan 0.000 0.269 342 P C -0.170 177.166 177.300 0.060 0.000 1.200 342 P CA 0.183 63.309 63.100 0.044 0.000 0.779 342 P CB 0.929 32.628 31.700 -0.001 0.000 0.841 343 V N 1.088 121.073 119.914 0.118 0.000 3.065 343 V HA 0.351 4.354 4.120 -0.196 0.000 0.312 343 V C -0.949 175.275 176.094 0.217 0.000 1.412 343 V CA -0.814 61.569 62.300 0.138 0.000 1.039 343 V CB 2.269 34.157 31.823 0.109 0.000 1.077 343 V HN 0.334 nan 8.190 nan 0.000 0.473 344 K N 1.543 122.029 120.400 0.145 0.000 2.404 344 K HA 0.672 4.874 4.320 -0.196 0.000 0.257 344 K C -0.362 176.274 176.600 0.061 0.000 1.026 344 K CA -0.132 56.199 56.287 0.072 0.000 0.951 344 K CB 1.330 33.846 32.500 0.028 0.000 1.203 344 K HN 0.800 nan 8.250 nan 0.000 0.446 345 A N 5.024 127.872 122.820 0.047 0.000 2.507 345 A HA 0.091 4.294 4.320 -0.196 0.000 0.281 345 A C -0.411 177.178 177.584 0.008 0.000 1.154 345 A CA 0.391 52.486 52.037 0.096 0.000 0.828 345 A CB -0.352 18.527 19.000 -0.201 0.000 1.069 345 A HN 0.714 nan 8.150 nan 0.000 0.522 346 L N 2.429 123.673 121.223 0.034 0.000 2.388 346 L HA 0.665 4.887 4.340 -0.196 0.000 0.264 346 L C 1.037 177.894 176.870 -0.023 0.000 0.998 346 L CA 0.276 55.103 54.840 -0.022 0.000 0.817 346 L CB 2.130 44.160 42.059 -0.047 0.000 1.338 346 L HN 1.140 nan 8.230 nan 0.000 0.414 347 G N 2.064 110.847 108.800 -0.029 0.000 2.536 347 G HA2 -0.303 3.540 3.960 -0.196 0.000 0.280 347 G HA3 -0.303 3.540 3.960 -0.196 0.000 0.280 347 G C 0.757 175.689 174.900 0.053 0.000 1.152 347 G CA 0.253 45.361 45.100 0.014 0.000 0.970 347 G HN 0.982 nan 8.290 nan 0.000 0.549 348 G N 0.010 108.869 108.800 0.097 0.000 2.464 348 G HA2 0.016 3.859 3.960 -0.196 0.000 0.217 348 G HA3 0.016 3.859 3.960 -0.196 0.000 0.217 348 G C 1.448 176.433 174.900 0.142 0.000 1.138 348 G CA 1.494 46.658 45.100 0.108 0.000 0.793 348 G HN 0.753 nan 8.290 nan 0.000 0.539 349 N N -0.084 118.715 118.700 0.166 0.000 2.142 349 N HA -0.075 4.548 4.740 -0.196 0.000 0.186 349 N C 1.983 177.686 175.510 0.320 0.000 1.023 349 N CA 0.461 53.684 53.050 0.289 0.000 0.852 349 N CB -0.130 38.539 38.487 0.304 0.000 0.998 349 N HN 0.139 nan 8.380 nan 0.000 0.424 350 L N 1.108 122.415 121.223 0.141 0.000 2.089 350 L HA -0.168 4.054 4.340 -0.196 0.000 0.213 350 L C 1.873 178.760 176.870 0.029 0.000 1.079 350 L CA 1.472 56.322 54.840 0.017 0.000 0.758 350 L CB -0.415 41.629 42.059 -0.026 0.000 0.891 350 L HN 0.038 nan 8.230 nan 0.000 0.433 351 V N -1.140 118.813 119.914 0.065 0.000 2.535 351 V HA -0.174 3.828 4.120 -0.196 0.000 0.246 351 V C 2.204 178.356 176.094 0.097 0.000 1.045 351 V CA 1.488 63.826 62.300 0.063 0.000 1.058 351 V CB -0.483 31.379 31.823 0.065 0.000 0.689 351 V HN 0.386 nan 8.190 nan 0.000 0.461 352 D N -0.278 120.209 120.400 0.144 0.000 2.117 352 D HA -0.211 4.311 4.640 -0.196 0.000 0.197 352 D C 2.055 178.491 176.300 0.226 0.000 0.987 352 D CA 1.621 55.724 54.000 0.172 0.000 0.829 352 D CB -0.150 40.751 40.800 0.169 0.000 0.961 352 D HN 0.370 nan 8.370 nan 0.000 0.460 353 M N 0.453 120.239 119.600 0.311 0.000 2.082 353 M HA -0.118 4.244 4.480 -0.196 0.000 0.258 353 M C 2.033 178.356 176.300 0.038 0.000 1.069 353 M CA 2.355 57.756 55.300 0.168 0.000 1.102 353 M CB -0.735 31.708 32.600 -0.262 0.000 1.336 353 M HN 0.003 nan 8.290 nan 0.000 0.404 354 G N 0.009 108.816 108.800 0.011 0.000 2.513 354 G HA2 -0.290 3.552 3.960 -0.196 0.000 0.219 354 G HA3 -0.290 3.552 3.960 -0.196 0.000 0.219 354 G C 1.710 176.600 174.900 -0.017 0.000 1.160 354 G CA 1.358 46.453 45.100 -0.008 0.000 0.767 354 G HN 0.536 nan 8.290 nan 0.000 0.571 355 R N -0.448 120.063 120.500 0.018 0.000 2.090 355 R HA 0.046 4.268 4.340 -0.196 0.000 0.228 355 R C 2.747 179.021 176.300 -0.043 0.000 1.110 355 R CA 0.930 57.020 56.100 -0.018 0.000 0.973 355 R CB -0.455 29.903 30.300 0.096 0.000 0.869 355 R HN 0.333 nan 8.270 nan 0.000 0.440 356 V N 1.567 121.499 119.914 0.030 0.000 2.261 356 V HA -0.272 3.731 4.120 -0.196 0.000 0.246 356 V C 2.174 178.259 176.094 -0.014 0.000 1.047 356 V CA 1.815 64.136 62.300 0.036 0.000 1.015 356 V CB -0.322 31.571 31.823 0.116 0.000 0.642 356 V HN 0.305 nan 8.190 nan 0.000 0.446 357 K N -0.572 119.818 120.400 -0.018 0.000 2.137 357 K HA -0.016 4.187 4.320 -0.196 0.000 0.202 357 K C 2.062 178.622 176.600 -0.068 0.000 1.052 357 K CA 0.878 57.145 56.287 -0.034 0.000 0.961 357 K CB -0.168 32.315 32.500 -0.029 0.000 0.741 357 K HN 0.328 nan 8.250 nan 0.000 0.452 358 V N 2.166 122.021 119.914 -0.097 0.000 2.295 358 V HA -0.251 3.752 4.120 -0.196 0.000 0.246 358 V C 2.248 178.235 176.094 -0.178 0.000 1.049 358 V CA 1.441 63.666 62.300 -0.125 0.000 1.024 358 V CB -0.357 31.373 31.823 -0.154 0.000 0.648 358 V HN 0.244 nan 8.190 nan 0.000 0.447 359 I N 0.620 121.028 120.570 -0.270 0.000 2.286 359 I HA -0.137 3.916 4.170 -0.196 0.000 0.245 359 I C 2.704 178.722 176.117 -0.164 0.000 1.104 359 I CA 1.812 62.914 61.300 -0.330 0.000 1.397 359 I CB -1.675 36.013 38.000 -0.520 0.000 1.072 359 I HN 0.304 nan 8.210 nan 0.000 0.417 360 A N 1.156 123.912 122.820 -0.106 0.000 1.972 360 A HA -0.072 4.130 4.320 -0.196 0.000 0.219 360 A C 2.504 180.043 177.584 -0.075 0.000 1.169 360 A CA 1.712 53.710 52.037 -0.066 0.000 0.635 360 A CB -1.270 17.710 19.000 -0.033 0.000 0.810 360 A HN 0.425 nan 8.150 nan 0.000 0.446 361 G N 0.079 108.833 108.800 -0.076 0.000 2.459 361 G HA2 -0.217 3.625 3.960 -0.196 0.000 0.217 361 G HA3 -0.217 3.625 3.960 -0.196 0.000 0.217 361 G C 1.550 176.402 174.900 -0.081 0.000 1.183 361 G CA 1.130 46.188 45.100 -0.069 0.000 0.776 361 G HN 0.442 nan 8.290 nan 0.000 0.552 362 L N -0.204 120.991 121.223 -0.046 0.000 2.046 362 L HA 0.005 4.228 4.340 -0.196 0.000 0.208 362 L C 2.922 179.758 176.870 -0.058 0.000 1.077 362 L CA 0.521 55.373 54.840 0.020 0.000 0.747 362 L CB -0.356 41.720 42.059 0.028 0.000 0.896 362 L HN 0.179 nan 8.230 nan 0.000 0.432 363 L N -0.555 120.628 121.223 -0.067 0.000 2.093 363 L HA -0.154 4.069 4.340 -0.196 0.000 0.208 363 L C 2.417 179.229 176.870 -0.096 0.000 1.085 363 L CA 1.218 56.025 54.840 -0.055 0.000 0.755 363 L CB -0.265 41.768 42.059 -0.044 0.000 0.904 363 L HN 0.225 nan 8.230 nan 0.000 0.435 364 R N -0.057 120.364 120.500 -0.132 0.000 2.317 364 R HA 0.071 4.294 4.340 -0.196 0.000 0.208 364 R C 0.012 176.160 176.300 -0.252 0.000 0.914 364 R CA -0.089 55.921 56.100 -0.150 0.000 1.060 364 R CB 0.112 30.342 30.300 -0.117 0.000 1.015 364 R HN 0.125 nan 8.270 nan 0.000 0.498 365 K N 1.550 121.680 120.400 -0.450 0.000 3.162 365 K HA -0.150 4.053 4.320 -0.196 0.000 0.268 365 K C -0.805 175.400 176.600 -0.658 0.000 1.062 365 K CA 0.721 56.449 56.287 -0.931 0.000 0.769 365 K CB -1.011 31.112 32.500 -0.628 0.000 1.274 365 K HN 0.166 nan 8.250 nan 0.000 0.478 366 D N 0.665 120.824 120.400 -0.401 0.000 2.461 366 D HA 0.138 4.661 4.640 -0.196 0.000 0.240 366 D C 0.411 176.696 176.300 -0.026 0.000 1.094 366 D CA -0.414 53.495 54.000 -0.151 0.000 0.868 366 D CB 0.935 41.669 40.800 -0.110 0.000 1.062 366 D HN 0.007 nan 8.370 nan 0.000 0.530 367 D N 1.709 122.137 120.400 0.047 0.000 2.144 367 D HA -0.156 4.367 4.640 -0.196 0.000 0.200 367 D C 1.551 177.879 176.300 0.048 0.000 0.978 367 D CA 0.654 54.716 54.000 0.103 0.000 0.833 367 D CB 0.375 41.245 40.800 0.117 0.000 0.961 367 D HN 0.517 nan 8.370 nan 0.000 0.470 368 Q N 1.025 120.838 119.800 0.020 0.000 2.084 368 Q HA -0.174 4.048 4.340 -0.196 0.000 0.202 368 Q C 1.919 177.920 176.000 0.001 0.000 0.978 368 Q CA 1.145 56.953 55.803 0.008 0.000 0.844 368 Q CB -0.014 28.724 28.738 -0.001 0.000 0.898 368 Q HN 0.403 nan 8.270 nan 0.000 0.426 369 E N -0.189 120.006 120.200 -0.007 0.000 2.110 369 E HA -0.155 4.078 4.350 -0.196 0.000 0.193 369 E C 2.101 178.694 176.600 -0.012 0.000 0.988 369 E CA 0.868 57.258 56.400 -0.016 0.000 0.804 369 E CB -0.053 29.629 29.700 -0.029 0.000 0.745 369 E HN 0.412 nan 8.360 nan 0.000 0.458 370 I N 0.925 121.498 120.570 0.004 0.000 2.141 370 I HA -0.269 3.783 4.170 -0.196 0.000 0.236 370 I C 2.790 178.911 176.117 0.007 0.000 1.071 370 I CA 1.239 62.544 61.300 0.009 0.000 1.345 370 I CB -0.543 37.485 38.000 0.047 0.000 1.066 370 I HN 0.174 nan 8.210 nan 0.000 0.406 371 S N 1.053 116.762 115.700 0.016 0.000 2.359 371 S HA -0.250 4.102 4.470 -0.196 0.000 0.223 371 S C 2.130 176.732 174.600 0.003 0.000 1.039 371 S CA 1.814 60.021 58.200 0.011 0.000 1.042 371 S CB -1.143 62.065 63.200 0.013 0.000 0.915 371 S HN 0.569 nan 8.310 nan 0.000 0.439 372 S N 0.971 116.669 115.700 -0.003 0.000 2.428 372 S HA -0.058 4.295 4.470 -0.196 0.000 0.230 372 S C 1.864 176.451 174.600 -0.021 0.000 1.014 372 S CA 1.246 59.440 58.200 -0.011 0.000 0.957 372 S CB -1.347 61.845 63.200 -0.013 0.000 0.784 372 S HN 0.580 nan 8.310 nan 0.000 0.499 373 T N 2.660 117.200 114.554 -0.023 0.000 2.821 373 T HA 0.182 4.415 4.350 -0.196 0.000 0.267 373 T C 1.668 176.356 174.700 -0.019 0.000 1.046 373 T CA 1.207 63.287 62.100 -0.034 0.000 1.139 373 T CB -0.400 68.444 68.868 -0.040 0.000 0.871 373 T HN 0.385 nan 8.240 nan 0.000 0.454 374 I N 0.580 121.149 120.570 -0.002 0.000 2.163 374 I HA -0.167 3.885 4.170 -0.196 0.000 0.240 374 I C 2.780 178.916 176.117 0.031 0.000 1.081 374 I CA 1.272 62.584 61.300 0.020 0.000 1.353 374 I CB -0.268 37.747 38.000 0.025 0.000 1.054 374 I HN 0.059 nan 8.210 nan 0.000 0.407 375 R N 0.347 120.859 120.500 0.020 0.000 2.119 375 R HA -0.204 4.019 4.340 -0.196 0.000 0.246 375 R C 2.584 178.894 176.300 0.016 0.000 1.146 375 R CA 1.887 58.000 56.100 0.022 0.000 0.962 375 R CB -0.528 29.777 30.300 0.009 0.000 0.863 375 R HN 0.268 nan 8.270 nan 0.000 0.442 376 S N -0.189 115.505 115.700 -0.010 0.000 2.371 376 S HA -0.019 4.334 4.470 -0.196 0.000 0.224 376 S C 1.859 176.436 174.600 -0.038 0.000 1.029 376 S CA 0.888 59.065 58.200 -0.039 0.000 0.978 376 S CB -0.112 63.045 63.200 -0.071 0.000 0.833 376 S HN 0.255 nan 8.310 nan 0.000 0.466 377 I N 1.422 121.978 120.570 -0.024 0.000 2.335 377 I HA -0.173 3.880 4.170 -0.196 0.000 0.251 377 I C 2.402 178.493 176.117 -0.042 0.000 1.129 377 I CA 1.355 62.635 61.300 -0.034 0.000 1.402 377 I CB -0.365 37.634 38.000 -0.001 0.000 1.069 377 I HN 0.404 nan 8.210 nan 0.000 0.424 378 E N 0.536 120.785 120.200 0.083 0.000 2.267 378 E HA -0.297 3.935 4.350 -0.196 0.000 0.197 378 E C 2.071 178.778 176.600 0.179 0.000 0.998 378 E CA 1.165 57.721 56.400 0.261 0.000 0.830 378 E CB -0.139 29.711 29.700 0.251 0.000 0.751 378 E HN 0.631 nan 8.360 nan 0.000 0.491 379 Q N 0.566 120.397 119.800 0.052 0.000 2.437 379 Q HA -0.084 4.138 4.340 -0.196 0.000 0.210 379 Q C 2.011 178.021 176.000 0.017 0.000 0.972 379 Q CA 0.793 56.620 55.803 0.040 0.000 0.903 379 Q CB -0.055 28.683 28.738 0.001 0.000 0.967 379 Q HN 0.156 nan 8.270 nan 0.000 0.486 380 V N 0.589 120.447 119.914 -0.093 0.000 2.626 380 V HA -0.177 3.826 4.120 -0.196 0.000 0.252 380 V C 1.193 177.341 176.094 0.089 0.000 1.067 380 V CA 1.248 63.497 62.300 -0.085 0.000 1.081 380 V CB -0.568 31.140 31.823 -0.190 0.000 0.686 380 V HN 0.400 nan 8.190 nan 0.000 0.468 381 F N 0.546 120.683 119.950 0.311 0.000 2.699 381 F HA 0.129 4.538 4.527 -0.196 0.000 0.298 381 F C 1.345 177.277 175.800 0.221 0.000 1.154 381 F CA 0.213 58.377 58.000 0.273 0.000 1.457 381 F CB -0.479 38.550 39.000 0.047 0.000 1.106 381 F HN 0.077 nan 8.300 nan 0.000 0.585 382 K N 1.269 121.836 120.400 0.278 0.000 2.276 382 K HA 0.251 4.454 4.320 -0.196 0.000 0.283 382 K C -0.406 176.298 176.600 0.173 0.000 1.044 382 K CA -0.837 55.556 56.287 0.176 0.000 0.944 382 K CB 1.208 33.763 32.500 0.092 0.000 1.012 382 K HN -0.111 nan 8.250 nan 0.000 0.472 383 L N 3.113 124.415 121.223 0.132 0.000 2.426 383 L HA 0.064 4.286 4.340 -0.196 0.000 0.271 383 L C 0.054 176.898 176.870 -0.043 0.000 1.169 383 L CA 0.109 54.995 54.840 0.077 0.000 0.836 383 L CB 1.057 43.155 42.059 0.065 0.000 1.112 383 L HN 0.445 nan 8.230 nan 0.000 0.465 384 V N 0.063 119.853 119.914 -0.206 0.000 2.994 384 V HA 0.590 4.592 4.120 -0.196 0.000 0.318 384 V C 0.011 175.847 176.094 -0.431 0.000 1.085 384 V CA -0.578 61.532 62.300 -0.317 0.000 0.998 384 V CB 1.853 33.439 31.823 -0.396 0.000 1.063 384 V HN 0.698 nan 8.190 nan 0.000 0.447 385 D N 0.023 120.294 120.400 -0.216 0.000 2.398 385 D HA 0.275 4.797 4.640 -0.196 0.000 0.210 385 D C 0.260 176.668 176.300 0.181 0.000 1.094 385 D CA 0.567 54.570 54.000 0.005 0.000 0.839 385 D CB 0.480 41.306 40.800 0.044 0.000 0.963 385 D HN 0.764 nan 8.370 nan 0.000 0.506 386 Q N -1.540 118.301 119.800 0.068 0.000 2.666 386 Q HA 0.441 4.663 4.340 -0.196 0.000 0.276 386 Q C -0.137 175.916 176.000 0.088 0.000 0.952 386 Q CA -0.120 55.792 55.803 0.183 0.000 0.850 386 Q CB 1.093 29.887 28.738 0.094 0.000 1.512 386 Q HN 0.157 nan 8.270 nan 0.000 0.395 387 G N 1.766 110.645 108.800 0.133 0.000 2.562 387 G HA2 -0.271 3.572 3.960 -0.196 0.000 0.250 387 G HA3 -0.271 3.572 3.960 -0.196 0.000 0.250 387 G C -0.900 174.002 174.900 0.004 0.000 1.269 387 G CA 0.189 45.313 45.100 0.040 0.000 0.919 387 G HN 0.624 nan 8.290 nan 0.000 0.574 388 E N 0.607 120.743 120.200 -0.106 0.000 2.313 388 E HA 0.544 4.776 4.350 -0.196 0.000 0.272 388 E C 0.673 177.090 176.600 -0.306 0.000 1.038 388 E CA 0.332 56.588 56.400 -0.241 0.000 0.863 388 E CB 1.238 30.795 29.700 -0.238 0.000 1.060 388 E HN 2.020 nan 8.360 nan 0.000 0.402 389 G N 0.898 109.378 108.800 -0.534 0.000 2.343 389 G HA2 -0.109 3.733 3.960 -0.196 0.000 0.562 389 G HA3 -0.109 3.733 3.960 -0.196 0.000 0.562 389 G C -1.307 173.302 174.900 -0.485 0.000 1.269 389 G CA -1.160 43.664 45.100 -0.461 0.000 1.011 389 G HN 0.288 nan 8.290 nan 0.000 0.498 390 F N 0.050 119.950 119.950 -0.084 0.000 2.379 390 F HA 0.733 5.142 4.527 -0.196 0.000 0.332 390 F C 0.380 176.134 175.800 -0.078 0.000 1.096 390 F CA -0.125 57.880 58.000 0.008 0.000 1.105 390 F CB 1.185 40.153 39.000 -0.053 0.000 1.189 390 F HN 0.426 nan 8.300 nan 0.000 0.515 391 Y N 0.842 121.297 120.300 0.258 0.000 2.509 391 Y HA 0.164 4.597 4.550 -0.196 0.000 0.341 391 Y C 1.267 177.310 175.900 0.238 0.000 1.038 391 Y CA -0.885 57.323 58.100 0.179 0.000 1.089 391 Y CB 1.584 40.108 38.460 0.106 0.000 1.241 391 Y HN 0.602 nan 8.280 nan 0.000 0.468 392 Q N 0.525 120.514 119.800 0.315 0.000 2.368 392 Q HA -0.190 4.033 4.340 -0.196 0.000 0.210 392 Q C 0.163 176.331 176.000 0.281 0.000 0.982 392 Q CA 2.043 58.009 55.803 0.272 0.000 0.884 392 Q CB -0.247 28.598 28.738 0.179 0.000 0.933 392 Q HN 0.856 nan 8.270 nan 0.000 0.460 393 D N -0.785 119.779 120.400 0.272 0.000 2.328 393 D HA 0.135 4.658 4.640 -0.196 0.000 0.221 393 D C 1.156 177.656 176.300 0.334 0.000 1.072 393 D CA 0.678 54.807 54.000 0.215 0.000 0.850 393 D CB 0.171 41.044 40.800 0.123 0.000 0.922 393 D HN 0.423 nan 8.370 nan 0.000 0.516 394 G N -0.212 108.830 108.800 0.402 0.000 2.199 394 G HA2 -0.293 3.550 3.960 -0.196 0.000 0.254 394 G HA3 -0.293 3.550 3.960 -0.196 0.000 0.254 394 G C 0.433 175.505 174.900 0.286 0.000 0.982 394 G CA 0.203 45.556 45.100 0.422 0.000 0.632 394 G HN 0.434 nan 8.290 nan 0.000 0.529 395 S N -0.319 115.548 115.700 0.278 0.000 2.558 395 S HA 0.371 4.724 4.470 -0.196 0.000 0.287 395 S C -0.304 174.346 174.600 0.084 0.000 1.321 395 S CA 0.444 58.642 58.200 -0.003 0.000 1.048 395 S CB 0.978 64.156 63.200 -0.036 0.000 0.844 395 S HN 0.752 nan 8.310 nan 0.000 0.512 396 Y N 2.567 122.712 120.300 -0.258 0.000 2.338 396 Y HA 0.541 4.974 4.550 -0.196 0.000 0.333 396 Y C -0.916 174.842 175.900 -0.237 0.000 0.968 396 Y CA -0.910 56.969 58.100 -0.370 0.000 1.123 396 Y CB 0.604 38.635 38.460 -0.717 0.000 1.165 396 Y HN 0.440 nan 8.280 nan 0.000 0.452 397 I N 5.637 125.743 120.570 -0.773 0.000 2.493 397 I HA 0.407 4.459 4.170 -0.196 0.000 0.298 397 I C -0.557 175.091 176.117 -0.781 0.000 0.998 397 I CA -0.421 60.555 61.300 -0.539 0.000 1.137 397 I CB 1.769 39.649 38.000 -0.200 0.000 1.310 397 I HN 0.704 nan 8.210 nan 0.000 0.445 398 D N 2.285 122.453 120.400 -0.387 0.000 2.626 398 D HA 0.278 4.800 4.640 -0.196 0.000 0.278 398 D C -0.496 175.704 176.300 -0.168 0.000 1.211 398 D CA -0.355 53.418 54.000 -0.379 0.000 0.903 398 D CB 1.402 41.890 40.800 -0.521 0.000 1.408 398 D HN 0.647 nan 8.370 nan 0.000 0.454 399 H N 0.576 119.489 119.070 -0.262 0.000 2.527 399 H HA -0.234 4.205 4.556 -0.196 0.000 0.321 399 H C 0.578 175.854 175.328 -0.086 0.000 1.092 399 H CA 0.648 56.599 56.048 -0.162 0.000 1.118 399 H CB -0.993 28.704 29.762 -0.108 0.000 1.536 399 H HN 0.511 nan 8.280 nan 0.000 0.407 400 T N -1.361 113.202 114.554 0.014 0.000 13.229 400 T HA -0.320 3.912 4.350 -0.196 0.000 0.418 400 T C 0.905 175.603 174.700 -0.005 0.000 1.449 400 T CA 1.852 63.952 62.100 -0.001 0.000 2.373 400 T CB -0.928 67.946 68.868 0.010 0.000 2.798 400 T HN 0.749 nan 8.240 nan 0.000 0.615 401 N N 0.877 119.583 118.700 0.010 0.000 2.547 401 N HA 0.431 5.054 4.740 -0.196 0.000 0.285 401 N C -1.033 174.472 175.510 -0.008 0.000 1.600 401 N CA -0.201 52.849 53.050 -0.000 0.000 0.872 401 N CB 0.271 38.771 38.487 0.021 0.000 1.412 401 N HN 0.498 nan 8.380 nan 0.000 0.489 402 V N 0.569 120.477 119.914 -0.009 0.000 2.448 402 V HA 0.750 4.753 4.120 -0.196 0.000 0.295 402 V C 0.514 176.545 176.094 -0.104 0.000 1.025 402 V CA -1.382 60.888 62.300 -0.050 0.000 0.859 402 V CB 1.254 33.074 31.823 -0.007 0.000 0.988 402 V HN 0.424 nan 8.190 nan 0.000 0.431 403 A N 3.971 126.696 122.820 -0.158 0.000 2.540 403 A HA 0.242 4.444 4.320 -0.196 0.000 0.264 403 A C -0.192 177.263 177.584 -0.215 0.000 1.080 403 A CA 0.740 52.674 52.037 -0.171 0.000 0.776 403 A CB -0.570 18.337 19.000 -0.154 0.000 1.011 403 A HN 0.850 nan 8.150 nan 0.000 0.514 404 Y N 1.590 121.856 120.300 -0.056 0.000 2.830 404 Y HA 0.099 4.532 4.550 -0.195 0.000 0.255 404 Y C 1.953 177.922 175.900 0.115 0.000 1.130 404 Y CA 0.240 58.372 58.100 0.053 0.000 1.217 404 Y CB -0.127 38.381 38.460 0.080 0.000 1.296 404 Y HN 0.719 nan 8.280 nan 0.000 0.571 405 T N -1.304 113.331 114.554 0.135 0.000 2.721 405 T HA -0.215 4.017 4.350 -0.196 0.000 0.268 405 T C 2.037 176.687 174.700 -0.083 0.000 1.038 405 T CA 1.901 63.888 62.100 -0.188 0.000 1.145 405 T CB -0.335 68.285 68.868 -0.412 0.000 0.858 405 T HN 0.551 nan 8.240 nan 0.000 0.459 406 G N -0.674 108.132 108.800 0.010 0.000 3.141 406 G HA2 0.485 4.328 3.960 -0.196 0.000 0.218 406 G HA3 0.485 4.328 3.960 -0.196 0.000 0.218 406 G C 0.935 175.867 174.900 0.054 0.000 1.170 406 G CA 0.587 45.710 45.100 0.039 0.000 0.769 406 G HN 0.595 nan 8.290 nan 0.000 0.546 407 A N -0.405 122.474 122.820 0.098 0.000 1.878 407 A HA 0.426 4.629 4.320 -0.196 0.000 0.201 407 A C 1.637 179.071 177.584 -0.251 0.000 1.831 407 A CA 0.131 52.133 52.037 -0.059 0.000 1.050 407 A CB -0.310 18.697 19.000 0.011 0.000 1.063 407 A HN 0.100 nan 8.150 nan 0.000 0.588 408 Y N 1.115 121.307 120.300 -0.181 0.000 2.263 408 Y HA 0.045 4.477 4.550 -0.196 0.000 0.292 408 Y C 2.736 178.472 175.900 -0.272 0.000 1.130 408 Y CA 1.188 59.149 58.100 -0.231 0.000 1.179 408 Y CB -0.578 37.700 38.460 -0.303 0.000 0.998 408 Y HN 0.377 nan 8.280 nan 0.000 0.532 409 G N 0.321 108.922 108.800 -0.332 0.000 2.469 409 G HA2 -0.334 3.509 3.960 -0.196 0.000 0.219 409 G HA3 -0.334 3.509 3.960 -0.196 0.000 0.219 409 G C 1.480 176.429 174.900 0.082 0.000 1.150 409 G CA 1.472 46.231 45.100 -0.569 0.000 0.763 409 G HN 0.327 nan 8.290 nan 0.000 0.561 410 N N 0.318 119.079 118.700 0.102 0.000 2.069 410 N HA -0.108 4.514 4.740 -0.196 0.000 0.191 410 N C 2.248 177.724 175.510 -0.056 0.000 1.031 410 N CA 1.205 54.264 53.050 0.015 0.000 0.852 410 N CB -0.684 37.783 38.487 -0.033 0.000 1.018 410 N HN 0.204 nan 8.380 nan 0.000 0.423 411 V N 1.192 121.057 119.914 -0.083 0.000 2.407 411 V HA -0.151 3.852 4.120 -0.196 0.000 0.248 411 V C 2.248 178.338 176.094 -0.008 0.000 1.055 411 V CA 1.096 63.357 62.300 -0.066 0.000 1.049 411 V CB -0.508 31.256 31.823 -0.099 0.000 0.662 411 V HN 0.305 nan 8.190 nan 0.000 0.455 412 L N -0.924 120.295 121.223 -0.007 0.000 2.093 412 L HA -0.100 4.122 4.340 -0.196 0.000 0.208 412 L C 2.219 179.149 176.870 0.101 0.000 1.085 412 L CA 1.602 56.462 54.840 0.033 0.000 0.755 412 L CB -0.090 41.937 42.059 -0.054 0.000 0.904 412 L HN 0.232 nan 8.230 nan 0.000 0.435 413 I N -0.636 119.972 120.570 0.063 0.000 2.333 413 I HA -0.240 3.813 4.170 -0.196 0.000 0.246 413 I C 2.032 178.152 176.117 0.004 0.000 1.106 413 I CA 1.146 62.471 61.300 0.042 0.000 1.411 413 I CB -0.104 37.778 38.000 -0.196 0.000 1.082 413 I HN 0.341 nan 8.210 nan 0.000 0.420 414 D N 0.721 121.100 120.400 -0.034 0.000 2.106 414 D HA -0.195 4.327 4.640 -0.196 0.000 0.191 414 D C 1.995 178.315 176.300 0.034 0.000 0.997 414 D CA 1.883 55.871 54.000 -0.021 0.000 0.834 414 D CB -0.329 40.448 40.800 -0.039 0.000 0.956 414 D HN 0.423 nan 8.370 nan 0.000 0.448 415 G N -0.032 108.804 108.800 0.060 0.000 2.396 415 G HA2 -0.170 3.673 3.960 -0.196 0.000 0.214 415 G HA3 -0.170 3.673 3.960 -0.196 0.000 0.214 415 G C 1.618 176.599 174.900 0.136 0.000 1.166 415 G CA 0.517 45.680 45.100 0.105 0.000 0.793 415 G HN 0.302 nan 8.290 nan 0.000 0.533 416 L N 2.013 123.315 121.223 0.130 0.000 2.079 416 L HA -0.083 4.139 4.340 -0.196 0.000 0.210 416 L C 3.164 180.123 176.870 0.148 0.000 1.081 416 L CA 2.422 57.353 54.840 0.152 0.000 0.752 416 L CB -0.506 41.669 42.059 0.194 0.000 0.896 416 L HN 0.372 nan 8.230 nan 0.000 0.433 417 S N -2.061 113.711 115.700 0.120 0.000 2.387 417 S HA -0.190 4.163 4.470 -0.196 0.000 0.226 417 S C 1.840 176.502 174.600 0.103 0.000 1.026 417 S CA 0.769 59.027 58.200 0.096 0.000 0.972 417 S CB -0.520 62.715 63.200 0.058 0.000 0.814 417 S HN 0.597 nan 8.310 nan 0.000 0.477 418 Q N 0.797 120.669 119.800 0.120 0.000 2.050 418 Q HA 0.039 4.261 4.340 -0.196 0.000 0.202 418 Q C 2.303 178.511 176.000 0.347 0.000 0.980 418 Q CA 1.486 57.389 55.803 0.167 0.000 0.840 418 Q CB -0.408 28.429 28.738 0.165 0.000 0.898 418 Q HN 0.542 nan 8.270 nan 0.000 0.424 419 L N 0.366 121.792 121.223 0.338 0.000 2.156 419 L HA -0.157 4.065 4.340 -0.196 0.000 0.208 419 L C 2.302 179.283 176.870 0.185 0.000 1.095 419 L CA 0.529 55.533 54.840 0.273 0.000 0.770 419 L CB -0.224 41.917 42.059 0.137 0.000 0.914 419 L HN 0.263 nan 8.230 nan 0.000 0.439 420 L N -0.128 121.188 121.223 0.155 0.000 2.042 420 L HA -0.185 4.037 4.340 -0.196 0.000 0.210 420 L C -0.242 176.689 176.870 0.101 0.000 1.076 420 L CA 1.496 56.405 54.840 0.115 0.000 0.749 420 L CB -1.577 40.541 42.059 0.099 0.000 0.893 420 L HN 0.232 nan 8.230 nan 0.000 0.432 421 P HA -0.139 nan 4.420 nan 0.000 0.218 421 P C 1.827 179.192 177.300 0.109 0.000 1.148 421 P CA 1.108 64.270 63.100 0.103 0.000 0.822 421 P CB 0.093 31.860 31.700 0.112 0.000 0.784 422 V N -0.351 119.648 119.914 0.141 0.000 2.255 422 V HA -0.200 3.802 4.120 -0.196 0.000 0.243 422 V C 2.362 178.493 176.094 0.061 0.000 1.038 422 V CA 1.511 63.879 62.300 0.114 0.000 1.008 422 V CB -1.096 30.805 31.823 0.130 0.000 0.645 422 V HN 0.027 nan 8.190 nan 0.000 0.449 423 I N 0.062 120.666 120.570 0.056 0.000 2.248 423 I HA -0.284 3.768 4.170 -0.196 0.000 0.248 423 I C 2.563 178.698 176.117 0.031 0.000 1.107 423 I CA 1.283 62.606 61.300 0.038 0.000 1.373 423 I CB -0.344 37.688 38.000 0.053 0.000 1.055 423 I HN 0.366 nan 8.210 nan 0.000 0.418 424 Q N 0.597 120.419 119.800 0.036 0.000 2.369 424 Q HA -0.069 4.153 4.340 -0.196 0.000 0.206 424 Q C 1.500 177.509 176.000 0.015 0.000 0.963 424 Q CA 1.029 56.844 55.803 0.021 0.000 0.894 424 Q CB -0.047 28.705 28.738 0.023 0.000 0.965 424 Q HN 0.519 nan 8.270 nan 0.000 0.475 425 K N 0.691 121.103 120.400 0.020 0.000 2.373 425 K HA 0.104 4.306 4.320 -0.196 0.000 0.202 425 K C 0.675 177.270 176.600 -0.007 0.000 1.025 425 K CA 0.090 56.382 56.287 0.009 0.000 1.115 425 K CB 0.796 33.307 32.500 0.020 0.000 0.858 425 K HN 0.216 nan 8.250 nan 0.000 0.525 426 T N -1.748 112.803 114.554 -0.005 0.000 2.810 426 T HA 0.206 4.439 4.350 -0.196 0.000 0.277 426 T C 1.227 175.913 174.700 -0.022 0.000 0.973 426 T CA -0.613 61.475 62.100 -0.019 0.000 0.949 426 T CB 1.463 70.327 68.868 -0.007 0.000 1.075 426 T HN -0.135 nan 8.240 nan 0.000 0.537 427 K N 0.235 120.617 120.400 -0.029 0.000 2.152 427 K HA -0.078 4.125 4.320 -0.196 0.000 0.206 427 K C 0.264 176.857 176.600 -0.012 0.000 1.048 427 K CA 1.460 57.733 56.287 -0.023 0.000 0.933 427 K CB -0.257 32.231 32.500 -0.020 0.000 0.721 427 K HN 0.566 nan 8.250 nan 0.000 0.447 428 N N 0.825 119.522 118.700 -0.005 0.000 2.806 428 N HA 0.142 4.764 4.740 -0.196 0.000 0.315 428 N C -2.676 172.835 175.510 0.002 0.000 1.738 428 N CA -1.180 51.870 53.050 0.000 0.000 0.993 428 N CB 1.036 39.527 38.487 0.007 0.000 1.324 428 N HN 0.094 nan 8.380 nan 0.000 0.493 429 P HA 0.065 nan 4.420 nan 0.000 0.272 429 P C -0.225 177.067 177.300 -0.013 0.000 1.254 429 P CA -0.109 62.987 63.100 -0.006 0.000 0.795 429 P CB 1.443 33.135 31.700 -0.013 0.000 1.022 430 I N 0.834 121.389 120.570 -0.025 0.000 2.330 430 I HA 0.116 4.168 4.170 -0.196 0.000 0.289 430 I C 0.007 176.053 176.117 -0.117 0.000 1.001 430 I CA -0.626 60.640 61.300 -0.057 0.000 1.193 430 I CB 0.559 38.542 38.000 -0.028 0.000 1.345 430 I HN 0.216 nan 8.210 nan 0.000 0.461 431 D N 6.706 127.031 120.400 -0.124 0.000 2.648 431 D HA -0.077 4.445 4.640 -0.196 0.000 0.229 431 D C 0.806 176.992 176.300 -0.190 0.000 1.119 431 D CA 0.721 54.642 54.000 -0.132 0.000 0.850 431 D CB 0.670 41.397 40.800 -0.121 0.000 1.169 431 D HN 0.330 nan 8.370 nan 0.000 0.489 432 K N 1.885 122.195 120.400 -0.149 0.000 2.522 432 K HA -0.063 4.140 4.320 -0.196 0.000 0.194 432 K C 0.589 177.077 176.600 -0.187 0.000 1.026 432 K CA 0.269 56.456 56.287 -0.166 0.000 1.119 432 K CB 0.168 32.609 32.500 -0.098 0.000 0.856 432 K HN 0.541 nan 8.250 nan 0.000 0.513 433 D N -0.425 119.858 120.400 -0.195 0.000 2.305 433 D HA -0.081 4.441 4.640 -0.196 0.000 0.206 433 D C 1.180 177.309 176.300 -0.286 0.000 0.974 433 D CA 0.753 54.640 54.000 -0.190 0.000 0.871 433 D CB 0.212 40.933 40.800 -0.131 0.000 0.947 433 D HN -0.051 nan 8.370 nan 0.000 0.516 434 K N -0.472 119.682 120.400 -0.409 0.000 2.459 434 K HA 0.109 4.312 4.320 -0.196 0.000 0.193 434 K C 1.568 177.693 176.600 -0.793 0.000 1.030 434 K CA 0.202 56.100 56.287 -0.648 0.000 1.026 434 K CB 0.079 32.004 32.500 -0.958 0.000 0.809 434 K HN 0.158 nan 8.250 nan 0.000 0.504 435 M N 0.427 119.642 119.600 -0.640 0.000 2.229 435 M HA -0.112 4.250 4.480 -0.196 0.000 0.264 435 M C 1.754 177.440 176.300 -1.023 0.000 1.063 435 M CA 1.588 56.430 55.300 -0.764 0.000 1.114 435 M CB -0.521 31.747 32.600 -0.553 0.000 1.387 435 M HN 0.036 nan 8.290 nan 0.000 0.420 436 Q N -0.181 119.260 119.800 -0.599 0.000 2.170 436 Q HA -0.074 4.149 4.340 -0.196 0.000 0.203 436 Q C 1.993 177.793 176.000 -0.333 0.000 0.976 436 Q CA 1.716 57.309 55.803 -0.350 0.000 0.858 436 Q CB -0.644 28.014 28.738 -0.133 0.000 0.907 436 Q HN 0.472 nan 8.270 nan 0.000 0.433 437 T N -0.168 114.123 114.554 -0.438 0.000 2.821 437 T HA -0.101 4.132 4.350 -0.196 0.000 0.267 437 T C 1.698 175.883 174.700 -0.858 0.000 1.046 437 T CA 1.133 62.952 62.100 -0.469 0.000 1.139 437 T CB -0.137 68.523 68.868 -0.347 0.000 0.871 437 T HN 0.244 nan 8.240 nan 0.000 0.454 438 M N -0.076 118.947 119.600 -0.963 0.000 2.117 438 M HA -0.078 4.285 4.480 -0.196 0.000 0.262 438 M C 1.967 178.043 176.300 -0.373 0.000 1.065 438 M CA 1.587 56.301 55.300 -0.977 0.000 1.114 438 M CB -0.311 31.900 32.600 -0.648 0.000 1.361 438 M HN 0.258 nan 8.290 nan 0.000 0.408 439 Y N -1.189 118.982 120.300 -0.216 0.000 2.224 439 Y HA -0.265 4.168 4.550 -0.196 0.000 0.289 439 Y C 2.551 178.442 175.900 -0.015 0.000 1.146 439 Y CA 1.214 59.263 58.100 -0.084 0.000 1.182 439 Y CB -1.578 36.839 38.460 -0.072 0.000 0.983 439 Y HN 0.391 nan 8.280 nan 0.000 0.524 440 H N -0.694 118.375 119.070 -0.001 0.000 2.321 440 H HA -0.198 4.241 4.556 -0.196 0.000 0.300 440 H C 1.636 177.024 175.328 0.100 0.000 1.087 440 H CA 2.068 58.131 56.048 0.025 0.000 1.319 440 H CB -0.351 29.401 29.762 -0.015 0.000 1.379 440 H HN 0.275 nan 8.280 nan 0.000 0.501 441 W N 1.258 122.564 121.300 0.010 0.000 2.321 441 W HA -0.183 4.359 4.660 -0.197 0.000 0.306 441 W C 2.778 179.347 176.519 0.084 0.000 1.217 441 W CA 0.564 57.800 57.345 -0.182 0.000 1.257 441 W CB -1.238 28.006 29.460 -0.360 0.000 1.145 441 W HN 0.235 nan 8.180 nan 0.000 0.509 442 I N 0.026 120.812 120.570 0.361 0.000 2.142 442 I HA -0.306 3.747 4.170 -0.196 0.000 0.240 442 I C 2.178 178.384 176.117 0.147 0.000 1.078 442 I CA 1.801 63.271 61.300 0.284 0.000 1.343 442 I CB -0.675 37.420 38.000 0.159 0.000 1.046 442 I HN -0.133 nan 8.210 nan 0.000 0.405 443 D N 0.742 121.171 120.400 0.049 0.000 2.097 443 D HA -0.139 4.383 4.640 -0.196 0.000 0.197 443 D C 2.188 178.441 176.300 -0.077 0.000 0.984 443 D CA 1.163 55.139 54.000 -0.040 0.000 0.826 443 D CB -0.189 40.575 40.800 -0.060 0.000 0.973 443 D HN 0.206 nan 8.370 nan 0.000 0.460 444 K N 0.327 120.646 120.400 -0.136 0.000 2.098 444 K HA 0.094 4.296 4.320 -0.196 0.000 0.203 444 K C 2.146 178.803 176.600 0.094 0.000 1.051 444 K CA 0.508 56.729 56.287 -0.110 0.000 0.957 444 K CB 0.230 32.539 32.500 -0.317 0.000 0.738 444 K HN -0.037 nan 8.250 nan 0.000 0.447 445 S N -0.366 115.376 115.700 0.070 0.000 2.506 445 S HA 0.124 4.477 4.470 -0.196 0.000 0.230 445 S C 1.607 176.112 174.600 -0.158 0.000 1.066 445 S CA 0.268 58.447 58.200 -0.034 0.000 0.940 445 S CB 0.024 63.145 63.200 -0.132 0.000 0.818 445 S HN 0.099 nan 8.310 nan 0.000 0.518 446 F N 1.783 121.757 119.950 0.040 0.000 2.315 446 F HA 0.366 4.776 4.527 -0.195 0.000 0.284 446 F C 2.565 178.339 175.800 -0.043 0.000 1.049 446 F CA 0.485 58.483 58.000 -0.004 0.000 1.323 446 F CB -1.002 38.006 39.000 0.014 0.000 1.113 446 F HN 0.118 nan 8.300 nan 0.000 0.544 447 A N 0.983 123.884 122.820 0.135 0.000 1.896 447 A HA -0.215 3.987 4.320 -0.196 0.000 0.220 447 A C -0.287 177.200 177.584 -0.161 0.000 1.206 447 A CA 2.315 54.328 52.037 -0.040 0.000 0.647 447 A CB -2.182 16.759 19.000 -0.100 0.000 0.828 447 A HN 0.249 nan 8.150 nan 0.000 0.455 448 P HA -0.093 nan 4.420 nan 0.000 0.219 448 P C 1.036 178.386 177.300 0.083 0.000 1.146 448 P CA 0.779 63.726 63.100 -0.256 0.000 0.808 448 P CB -0.158 31.529 31.700 -0.022 0.000 0.779 449 L N -1.849 119.412 121.223 0.064 0.000 2.610 449 L HA 0.022 4.244 4.340 -0.196 0.000 0.232 449 L C 0.700 177.520 176.870 -0.084 0.000 1.149 449 L CA 0.251 55.092 54.840 0.002 0.000 0.872 449 L CB -0.482 41.554 42.059 -0.038 0.000 0.992 449 L HN -0.005 nan 8.230 nan 0.000 0.447 450 L N 0.588 121.767 121.223 -0.074 0.000 2.316 450 L HA 0.429 4.652 4.340 -0.196 0.000 0.280 450 L C -0.924 175.852 176.870 -0.156 0.000 1.006 450 L CA -0.378 54.392 54.840 -0.118 0.000 0.836 450 L CB 1.962 43.977 42.059 -0.073 0.000 1.221 450 L HN -0.252 nan 8.230 nan 0.000 0.418 451 V N 3.158 122.930 119.914 -0.237 0.000 2.443 451 V HA 0.322 4.324 4.120 -0.196 0.000 0.293 451 V C 0.109 176.127 176.094 -0.127 0.000 1.021 451 V CA -0.822 61.334 62.300 -0.241 0.000 0.848 451 V CB 1.436 33.059 31.823 -0.334 0.000 0.998 451 V HN 0.828 nan 8.190 nan 0.000 0.424 452 N N 3.842 122.516 118.700 -0.044 0.000 2.710 452 N HA -0.227 4.396 4.740 -0.196 0.000 0.249 452 N C 1.196 176.808 175.510 0.170 0.000 1.059 452 N CA 1.691 54.797 53.050 0.094 0.000 0.720 452 N CB -0.914 37.688 38.487 0.192 0.000 0.983 452 N HN 1.608 nan 8.380 nan 0.000 0.544 453 G N -0.715 108.129 108.800 0.074 0.000 2.157 453 G HA2 -0.321 3.521 3.960 -0.196 0.000 0.248 453 G HA3 -0.321 3.521 3.960 -0.196 0.000 0.248 453 G C -0.247 174.670 174.900 0.028 0.000 0.979 453 G CA 0.529 45.713 45.100 0.139 0.000 0.650 453 G HN 0.647 nan 8.290 nan 0.000 0.529 454 E N -0.287 119.779 120.200 -0.225 0.000 2.171 454 E HA 0.627 4.859 4.350 -0.196 0.000 0.271 454 E C -0.544 175.860 176.600 -0.326 0.000 0.916 454 E CA -1.083 55.014 56.400 -0.505 0.000 0.774 454 E CB 1.018 30.326 29.700 -0.654 0.000 1.128 454 E HN 0.203 nan 8.360 nan 0.000 0.403 455 L N 5.650 126.726 121.223 -0.246 0.000 2.255 455 L HA 0.344 4.566 4.340 -0.196 0.000 0.289 455 L C -0.414 176.335 176.870 -0.202 0.000 1.046 455 L CA -0.043 54.692 54.840 -0.175 0.000 0.816 455 L CB 0.711 42.715 42.059 -0.093 0.000 1.197 455 L HN 0.731 nan 8.230 nan 0.000 0.427 456 M N 4.191 123.635 119.600 -0.260 0.000 2.290 456 M HA -0.046 4.316 4.480 -0.196 0.000 0.356 456 M C 0.787 176.923 176.300 -0.273 0.000 1.448 456 M CA 0.147 55.269 55.300 -0.298 0.000 0.993 456 M CB 0.186 32.611 32.600 -0.292 0.000 1.934 456 M HN 0.572 nan 8.290 nan 0.000 0.461 457 D N 3.072 123.284 120.400 -0.314 0.000 2.218 457 D HA -0.162 4.360 4.640 -0.196 0.000 0.204 457 D C 1.891 178.055 176.300 -0.227 0.000 0.976 457 D CA 1.395 55.295 54.000 -0.167 0.000 0.853 457 D CB -0.104 40.787 40.800 0.151 0.000 0.939 457 D HN 0.732 nan 8.370 nan 0.000 0.481 458 M N 0.036 119.385 119.600 -0.418 0.000 2.460 458 M HA -0.054 4.309 4.480 -0.196 0.000 0.263 458 M C 1.575 177.762 176.300 -0.188 0.000 1.071 458 M CA 1.446 56.604 55.300 -0.236 0.000 1.096 458 M CB -0.055 32.391 32.600 -0.256 0.000 1.408 458 M HN -0.082 nan 8.290 nan 0.000 0.463 459 S N -0.152 115.427 115.700 -0.202 0.000 2.556 459 S HA 0.227 4.579 4.470 -0.196 0.000 0.216 459 S C 1.402 175.922 174.600 -0.132 0.000 0.970 459 S CA -0.651 57.443 58.200 -0.177 0.000 0.912 459 S CB -0.077 63.017 63.200 -0.177 0.000 0.790 459 S HN 0.668 nan 8.310 nan 0.000 0.504 460 R N 0.898 121.315 120.500 -0.139 0.000 2.432 460 R HA 0.348 4.571 4.340 -0.196 0.000 0.260 460 R C 1.576 177.839 176.300 -0.060 0.000 0.935 460 R CA 0.241 56.313 56.100 -0.047 0.000 1.080 460 R CB 0.098 30.363 30.300 -0.058 0.000 1.155 460 R HN 0.476 nan 8.270 nan 0.000 0.531 461 G N 3.018 111.632 108.800 -0.309 0.000 2.614 461 G HA2 -0.453 3.389 3.960 -0.196 0.000 0.303 461 G HA3 -0.453 3.389 3.960 -0.196 0.000 0.303 461 G C 0.729 175.552 174.900 -0.128 0.000 1.270 461 G CA 0.776 45.612 45.100 -0.439 0.000 0.988 461 G HN 0.495 nan 8.290 nan 0.000 0.551 462 R N 0.215 120.756 120.500 0.068 0.000 2.285 462 R HA 0.154 4.376 4.340 -0.196 0.000 0.213 462 R C 2.303 178.610 176.300 0.013 0.000 1.068 462 R CA 1.967 58.099 56.100 0.055 0.000 1.004 462 R CB -0.433 29.953 30.300 0.143 0.000 0.873 462 R HN 0.335 nan 8.270 nan 0.000 0.467 463 S N 2.048 117.767 115.700 0.032 0.000 2.442 463 S HA -0.084 4.268 4.470 -0.196 0.000 0.236 463 S C 1.907 176.470 174.600 -0.062 0.000 1.007 463 S CA 1.263 59.452 58.200 -0.018 0.000 0.965 463 S CB -0.429 62.760 63.200 -0.020 0.000 0.773 463 S HN 0.609 nan 8.310 nan 0.000 0.504 464 I N 1.116 121.583 120.570 -0.172 0.000 2.530 464 I HA -0.122 3.930 4.170 -0.196 0.000 0.257 464 I C 1.754 177.760 176.117 -0.185 0.000 1.179 464 I CA 1.525 62.611 61.300 -0.355 0.000 1.440 464 I CB -0.550 36.866 38.000 -0.972 0.000 1.087 464 I HN 0.270 nan 8.210 nan 0.000 0.440 465 S N 0.556 116.228 115.700 -0.046 0.000 2.634 465 S HA 0.264 4.617 4.470 -0.196 0.000 0.221 465 S C 0.595 175.379 174.600 0.306 0.000 0.952 465 S CA -0.700 57.624 58.200 0.206 0.000 0.930 465 S CB -0.281 62.962 63.200 0.073 0.000 0.780 465 S HN 0.508 nan 8.310 nan 0.000 0.498 466 R N 0.734 121.285 120.500 0.086 0.000 2.246 466 R HA 0.608 4.830 4.340 -0.196 0.000 0.332 466 R C 1.187 177.109 176.300 -0.630 0.000 0.974 466 R CA 0.102 56.090 56.100 -0.187 0.000 0.837 466 R CB 1.093 31.317 30.300 -0.126 0.000 1.145 466 R HN 0.248 nan 8.270 nan 0.000 0.467 467 A N 3.515 125.520 122.820 -1.357 0.000 1.986 467 A HA -0.279 3.924 4.320 -0.196 0.000 0.220 467 A C 1.580 178.782 177.584 -0.635 0.000 1.171 467 A CA 2.090 53.087 52.037 -1.732 0.000 0.640 467 A CB -0.664 17.341 19.000 -1.658 0.000 0.811 467 A HN 0.959 nan 8.150 nan 0.000 0.451 468 N N -2.012 116.451 118.700 -0.395 0.000 2.398 468 N HA 0.072 4.695 4.740 -0.196 0.000 0.188 468 N C 0.109 175.549 175.510 -0.116 0.000 1.122 468 N CA 0.751 53.689 53.050 -0.187 0.000 0.866 468 N CB 0.229 38.632 38.487 -0.140 0.000 0.970 468 N HN 0.139 nan 8.380 nan 0.000 0.462 469 S N -0.086 115.541 115.700 -0.122 0.000 2.901 469 S HA 0.119 4.472 4.470 -0.196 0.000 0.248 469 S C -0.540 174.062 174.600 0.004 0.000 1.021 469 S CA -0.700 57.461 58.200 -0.064 0.000 1.090 469 S CB 0.210 63.365 63.200 -0.075 0.000 1.039 469 S HN 0.313 nan 8.310 nan 0.000 0.514 470 E N 0.750 120.987 120.200 0.062 0.000 2.447 470 E HA 0.132 4.364 4.350 -0.196 0.000 0.259 470 E C 1.569 178.229 176.600 0.099 0.000 1.196 470 E CA 0.153 56.667 56.400 0.190 0.000 0.995 470 E CB 0.291 30.182 29.700 0.318 0.000 0.974 470 E HN 0.371 nan 8.360 nan 0.000 0.465 471 G N 0.539 109.424 108.800 0.142 0.000 2.469 471 G HA2 -0.277 3.565 3.960 -0.196 0.000 0.220 471 G HA3 -0.277 3.565 3.960 -0.196 0.000 0.220 471 G C 1.080 175.912 174.900 -0.113 0.000 1.136 471 G CA 0.800 45.900 45.100 0.000 0.000 0.759 471 G HN 0.556 nan 8.290 nan 0.000 0.562 472 H N -0.436 118.586 119.070 -0.080 0.000 2.436 472 H HA 0.053 4.491 4.556 -0.196 0.000 0.294 472 H C 2.776 177.778 175.328 -0.544 0.000 1.048 472 H CA 1.052 56.964 56.048 -0.227 0.000 1.353 472 H CB 0.120 29.799 29.762 -0.137 0.000 1.414 472 H HN 0.245 nan 8.280 nan 0.000 0.536 473 V N 1.190 120.810 119.914 -0.490 0.000 2.307 473 V HA -0.190 3.812 4.120 -0.196 0.000 0.245 473 V C 2.868 178.871 176.094 -0.151 0.000 1.045 473 V CA 1.521 63.578 62.300 -0.406 0.000 1.024 473 V CB -0.980 30.718 31.823 -0.208 0.000 0.651 473 V HN 0.406 nan 8.190 nan 0.000 0.449 474 A N 0.238 122.993 122.820 -0.109 0.000 1.933 474 A HA -0.120 4.082 4.320 -0.196 0.000 0.218 474 A C 2.436 179.979 177.584 -0.067 0.000 1.175 474 A CA 2.039 54.032 52.037 -0.073 0.000 0.628 474 A CB -0.824 18.141 19.000 -0.058 0.000 0.814 474 A HN 0.592 nan 8.150 nan 0.000 0.444 475 A N -0.398 122.375 122.820 -0.078 0.000 1.948 475 A HA -0.082 4.121 4.320 -0.196 0.000 0.220 475 A C 2.175 179.734 177.584 -0.041 0.000 1.177 475 A CA 1.939 53.941 52.037 -0.059 0.000 0.636 475 A CB -0.962 18.002 19.000 -0.059 0.000 0.815 475 A HN 0.474 nan 8.150 nan 0.000 0.449 476 V N 0.135 120.035 119.914 -0.023 0.000 2.490 476 V HA -0.276 3.727 4.120 -0.196 0.000 0.250 476 V C 2.305 178.377 176.094 -0.036 0.000 1.061 476 V CA 2.164 64.463 62.300 -0.002 0.000 1.064 476 V CB -0.936 30.924 31.823 0.062 0.000 0.670 476 V HN 0.655 nan 8.190 nan 0.000 0.461 477 E N 0.102 120.272 120.200 -0.050 0.000 2.085 477 E HA -0.180 4.053 4.350 -0.196 0.000 0.194 477 E C 2.254 178.793 176.600 -0.102 0.000 0.994 477 E CA 1.572 57.930 56.400 -0.070 0.000 0.801 477 E CB -0.243 29.413 29.700 -0.073 0.000 0.743 477 E HN 0.493 nan 8.360 nan 0.000 0.453 478 V N 1.407 121.250 119.914 -0.119 0.000 2.453 478 V HA -0.209 3.794 4.120 -0.196 0.000 0.247 478 V C 2.271 178.271 176.094 -0.157 0.000 1.048 478 V CA 1.278 63.454 62.300 -0.207 0.000 1.049 478 V CB -0.383 31.320 31.823 -0.201 0.000 0.672 478 V HN 0.235 nan 8.190 nan 0.000 0.457 479 L N 0.518 121.687 121.223 -0.090 0.000 2.093 479 L HA -0.150 4.072 4.340 -0.196 0.000 0.208 479 L C 2.814 179.668 176.870 -0.025 0.000 1.085 479 L CA 1.806 56.610 54.840 -0.061 0.000 0.755 479 L CB -0.644 41.390 42.059 -0.041 0.000 0.904 479 L HN 0.428 nan 8.230 nan 0.000 0.435 480 R N 0.128 120.609 120.500 -0.031 0.000 2.119 480 R HA -0.014 4.208 4.340 -0.196 0.000 0.222 480 R C 2.161 178.452 176.300 -0.014 0.000 1.088 480 R CA 1.157 57.249 56.100 -0.013 0.000 0.984 480 R CB -0.933 29.338 30.300 -0.048 0.000 0.884 480 R HN 0.218 nan 8.270 nan 0.000 0.447 481 G N 2.052 110.822 108.800 -0.049 0.000 2.418 481 G HA2 -0.179 3.663 3.960 -0.196 0.000 0.217 481 G HA3 -0.179 3.663 3.960 -0.196 0.000 0.217 481 G C 1.524 176.411 174.900 -0.021 0.000 1.158 481 G CA 0.812 45.884 45.100 -0.048 0.000 0.771 481 G HN 0.222 nan 8.290 nan 0.000 0.545 482 I N -0.298 120.246 120.570 -0.043 0.000 2.202 482 I HA -0.148 3.905 4.170 -0.196 0.000 0.242 482 I C 2.537 178.682 176.117 0.048 0.000 1.091 482 I CA 1.060 62.349 61.300 -0.019 0.000 1.368 482 I CB -0.280 37.684 38.000 -0.060 0.000 1.058 482 I HN 0.132 nan 8.210 nan 0.000 0.410 483 H N 1.551 120.586 119.070 -0.058 0.000 2.491 483 H HA -0.034 4.405 4.556 -0.195 0.000 0.290 483 H C 2.258 177.564 175.328 -0.037 0.000 1.050 483 H CA 1.406 57.423 56.048 -0.051 0.000 1.309 483 H CB 0.084 29.809 29.762 -0.063 0.000 1.392 483 H HN 0.209 nan 8.280 nan 0.000 0.554 484 R N -0.615 119.943 120.500 0.097 0.000 2.073 484 R HA -0.054 4.169 4.340 -0.196 0.000 0.229 484 R C 2.328 178.668 176.300 0.066 0.000 1.120 484 R CA 1.012 57.134 56.100 0.036 0.000 0.967 484 R CB 0.068 30.373 30.300 0.010 0.000 0.862 484 R HN 0.179 nan 8.270 nan 0.000 0.436 485 I N 1.228 121.847 120.570 0.081 0.000 2.151 485 I HA -0.297 3.756 4.170 -0.196 0.000 0.243 485 I C 2.489 178.675 176.117 0.115 0.000 1.080 485 I CA 1.658 63.025 61.300 0.112 0.000 1.339 485 I CB -1.590 36.497 38.000 0.146 0.000 1.039 485 I HN 0.171 nan 8.210 nan 0.000 0.409 486 A N 0.576 123.447 122.820 0.085 0.000 1.892 486 A HA -0.310 3.892 4.320 -0.196 0.000 0.218 486 A C 2.159 179.778 177.584 0.058 0.000 1.188 486 A CA 2.420 54.483 52.037 0.043 0.000 0.631 486 A CB -1.034 17.987 19.000 0.035 0.000 0.822 486 A HN 0.472 nan 8.150 nan 0.000 0.447 487 D N -0.406 120.044 120.400 0.083 0.000 2.264 487 D HA -0.103 4.420 4.640 -0.196 0.000 0.208 487 D C 1.778 178.104 176.300 0.042 0.000 0.966 487 D CA 1.516 55.548 54.000 0.053 0.000 0.864 487 D CB -0.201 40.612 40.800 0.023 0.000 0.933 487 D HN 0.610 nan 8.370 nan 0.000 0.499 488 M N -1.371 118.262 119.600 0.055 0.000 2.428 488 M HA 0.301 4.664 4.480 -0.196 0.000 0.239 488 M C 0.518 176.856 176.300 0.063 0.000 1.121 488 M CA -0.299 55.033 55.300 0.053 0.000 1.019 488 M CB 0.901 33.534 32.600 0.055 0.000 1.485 488 M HN -0.281 nan 8.290 nan 0.000 0.484 489 S N 1.545 117.286 115.700 0.069 0.000 2.666 489 S HA 0.534 4.886 4.470 -0.196 0.000 0.279 489 S C 0.139 174.749 174.600 0.017 0.000 1.149 489 S CA -0.858 57.378 58.200 0.060 0.000 1.020 489 S CB 0.675 63.888 63.200 0.020 0.000 1.127 489 S HN 0.476 nan 8.310 nan 0.000 0.537 490 E N -0.665 119.532 120.200 -0.004 0.000 2.449 490 E HA 0.566 4.799 4.350 -0.196 0.000 0.278 490 E C 0.448 177.029 176.600 -0.031 0.000 0.992 490 E CA -0.541 55.853 56.400 -0.010 0.000 0.807 490 E CB 0.381 30.081 29.700 0.001 0.000 1.350 490 E HN 0.811 nan 8.360 nan 0.000 0.462 491 G N 1.926 110.710 108.800 -0.026 0.000 2.652 491 G HA2 -0.465 3.378 3.960 -0.196 0.000 0.318 491 G HA3 -0.465 3.378 3.960 -0.196 0.000 0.318 491 G C 0.851 175.721 174.900 -0.049 0.000 1.295 491 G CA 1.065 46.146 45.100 -0.032 0.000 0.999 491 G HN 0.669 nan 8.290 nan 0.000 0.548 492 E N -0.983 119.184 120.200 -0.055 0.000 2.106 492 E HA -0.030 4.203 4.350 -0.196 0.000 0.192 492 E C 2.798 179.334 176.600 -0.107 0.000 0.984 492 E CA 1.944 58.304 56.400 -0.067 0.000 0.806 492 E CB -0.224 29.442 29.700 -0.057 0.000 0.750 492 E HN 0.574 nan 8.360 nan 0.000 0.458 493 T N -0.130 114.338 114.554 -0.143 0.000 2.857 493 T HA -0.156 4.076 4.350 -0.196 0.000 0.266 493 T C 1.856 176.404 174.700 -0.252 0.000 1.048 493 T CA 1.482 63.426 62.100 -0.260 0.000 1.139 493 T CB -0.150 68.465 68.868 -0.422 0.000 0.874 493 T HN 0.042 nan 8.240 nan 0.000 0.455 494 K N -0.032 120.269 120.400 -0.165 0.000 2.074 494 K HA -0.185 4.018 4.320 -0.196 0.000 0.209 494 K C 2.529 179.067 176.600 -0.103 0.000 1.048 494 K CA 1.575 57.796 56.287 -0.110 0.000 0.926 494 K CB -0.224 32.244 32.500 -0.053 0.000 0.713 494 K HN 0.408 nan 8.250 nan 0.000 0.444 495 Q N 0.548 120.292 119.800 -0.093 0.000 2.083 495 Q HA -0.158 4.065 4.340 -0.196 0.000 0.198 495 Q C 2.238 178.180 176.000 -0.095 0.000 0.969 495 Q CA 1.319 57.076 55.803 -0.078 0.000 0.838 495 Q CB -0.037 28.666 28.738 -0.058 0.000 0.900 495 Q HN 0.379 nan 8.270 nan 0.000 0.436 496 R N 0.077 120.511 120.500 -0.110 0.000 2.096 496 R HA -0.106 4.116 4.340 -0.196 0.000 0.235 496 R C 2.091 178.316 176.300 -0.126 0.000 1.127 496 R CA 1.126 57.159 56.100 -0.111 0.000 0.968 496 R CB -0.275 29.953 30.300 -0.120 0.000 0.861 496 R HN 0.232 nan 8.270 nan 0.000 0.440 497 L N 0.445 121.576 121.223 -0.153 0.000 2.131 497 L HA -0.044 4.178 4.340 -0.196 0.000 0.206 497 L C 2.719 179.484 176.870 -0.175 0.000 1.087 497 L CA 1.007 55.756 54.840 -0.152 0.000 0.767 497 L CB -0.382 41.583 42.059 -0.157 0.000 0.917 497 L HN 0.292 nan 8.230 nan 0.000 0.441 498 Q N -0.328 119.362 119.800 -0.184 0.000 2.077 498 Q HA -0.229 3.994 4.340 -0.196 0.000 0.206 498 Q C 2.401 178.287 176.000 -0.190 0.000 0.989 498 Q CA 2.101 57.761 55.803 -0.239 0.000 0.853 498 Q CB -0.167 28.474 28.738 -0.162 0.000 0.907 498 Q HN 0.403 nan 8.270 nan 0.000 0.418 499 S N 0.752 116.376 115.700 -0.127 0.000 2.382 499 S HA -0.138 4.215 4.470 -0.196 0.000 0.228 499 S C 1.782 176.326 174.600 -0.092 0.000 1.027 499 S CA 0.860 59.004 58.200 -0.094 0.000 0.991 499 S CB -0.275 62.884 63.200 -0.068 0.000 0.823 499 S HN 0.248 nan 8.310 nan 0.000 0.469 500 L N 2.100 123.262 121.223 -0.102 0.000 1.970 500 L HA -0.086 4.136 4.340 -0.196 0.000 0.212 500 L C 2.217 179.027 176.870 -0.099 0.000 1.071 500 L CA 1.774 56.559 54.840 -0.092 0.000 0.751 500 L CB -0.982 41.022 42.059 -0.093 0.000 0.889 500 L HN 0.139 nan 8.230 nan 0.000 0.432 501 V N 0.094 119.925 119.914 -0.139 0.000 2.287 501 V HA -0.351 3.652 4.120 -0.196 0.000 0.248 501 V C 2.692 178.715 176.094 -0.118 0.000 1.053 501 V CA 2.320 64.531 62.300 -0.149 0.000 1.027 501 V CB -0.795 30.878 31.823 -0.250 0.000 0.646 501 V HN 0.580 nan 8.190 nan 0.000 0.447 502 K N -0.569 119.756 120.400 -0.125 0.000 2.057 502 K HA -0.217 3.985 4.320 -0.196 0.000 0.207 502 K C 2.328 178.902 176.600 -0.044 0.000 1.049 502 K CA 1.997 58.237 56.287 -0.077 0.000 0.931 502 K CB -0.373 32.085 32.500 -0.069 0.000 0.714 502 K HN 0.459 nan 8.250 nan 0.000 0.440 503 T N 0.501 115.030 114.554 -0.043 0.000 2.867 503 T HA -0.028 4.204 4.350 -0.196 0.000 0.268 503 T C 1.782 176.473 174.700 -0.014 0.000 1.057 503 T CA 1.096 63.184 62.100 -0.020 0.000 1.136 503 T CB -0.105 68.752 68.868 -0.018 0.000 0.874 503 T HN 0.227 nan 8.240 nan 0.000 0.466 504 I N 0.389 120.941 120.570 -0.029 0.000 2.202 504 I HA -0.094 3.959 4.170 -0.196 0.000 0.242 504 I C 2.472 178.596 176.117 0.012 0.000 1.091 504 I CA 0.771 62.061 61.300 -0.017 0.000 1.368 504 I CB -0.260 37.719 38.000 -0.035 0.000 1.058 504 I HN 0.109 nan 8.210 nan 0.000 0.410 505 V N 0.537 120.449 119.914 -0.004 0.000 2.343 505 V HA -0.288 3.715 4.120 -0.196 0.000 0.247 505 V C 2.399 178.506 176.094 0.022 0.000 1.051 505 V CA 1.827 64.128 62.300 0.002 0.000 1.036 505 V CB -0.683 31.112 31.823 -0.047 0.000 0.654 505 V HN 0.484 nan 8.190 nan 0.000 0.451 506 Q N 0.300 120.111 119.800 0.018 0.000 2.123 506 Q HA -0.144 4.078 4.340 -0.196 0.000 0.199 506 Q C 2.403 178.433 176.000 0.051 0.000 0.966 506 Q CA 1.698 57.521 55.803 0.032 0.000 0.845 506 Q CB -0.341 28.412 28.738 0.026 0.000 0.907 506 Q HN 0.793 nan 8.270 nan 0.000 0.439 507 S N 0.674 116.407 115.700 0.055 0.000 2.465 507 S HA -0.139 4.214 4.470 -0.196 0.000 0.241 507 S C 0.708 175.375 174.600 0.110 0.000 1.000 507 S CA 0.819 59.067 58.200 0.080 0.000 0.964 507 S CB -0.044 63.199 63.200 0.071 0.000 0.763 507 S HN 0.152 nan 8.310 nan 0.000 0.512 508 D N 2.084 122.553 120.400 0.115 0.000 2.456 508 D HA 0.310 4.832 4.640 -0.196 0.000 0.219 508 D C 0.922 177.292 176.300 0.118 0.000 1.126 508 D CA 0.012 54.108 54.000 0.160 0.000 0.890 508 D CB 1.122 42.042 40.800 0.200 0.000 1.025 508 D HN 0.350 nan 8.370 nan 0.000 0.511 509 S N 2.718 118.494 115.700 0.128 0.000 2.562 509 S HA -0.118 4.235 4.470 -0.196 0.000 0.221 509 S C 1.516 176.177 174.600 0.101 0.000 0.975 509 S CA 0.010 58.269 58.200 0.099 0.000 0.918 509 S CB -0.210 63.053 63.200 0.104 0.000 0.772 509 S HN 0.591 nan 8.310 nan 0.000 0.531 510 Y N 0.976 121.263 120.300 -0.022 0.000 2.422 510 Y HA 0.397 4.830 4.550 -0.195 0.000 0.291 510 Y C 0.344 176.224 175.900 -0.033 0.000 1.144 510 Y CA -0.474 57.586 58.100 -0.067 0.000 1.208 510 Y CB 0.044 38.402 38.460 -0.171 0.000 1.195 510 Y HN 0.283 nan 8.280 nan 0.000 0.535 511 Y N 1.678 121.701 120.300 -0.462 0.000 2.409 511 Y HA 0.399 4.832 4.550 -0.196 0.000 0.339 511 Y C -1.064 174.736 175.900 -0.167 0.000 1.033 511 Y CA -1.719 56.133 58.100 -0.413 0.000 1.094 511 Y CB 0.962 39.267 38.460 -0.260 0.000 1.210 511 Y HN 0.060 nan 8.280 nan 0.000 0.456 512 D N 4.725 124.682 120.400 -0.738 0.000 2.347 512 D HA 0.051 4.574 4.640 -0.196 0.000 0.235 512 D C 0.878 176.784 176.300 -0.657 0.000 1.149 512 D CA 0.202 53.905 54.000 -0.495 0.000 0.850 512 D CB 1.586 42.169 40.800 -0.362 0.000 1.061 512 D HN 0.586 nan 8.370 nan 0.000 0.487 513 V N 4.983 124.716 119.914 -0.302 0.000 2.370 513 V HA -0.284 3.718 4.120 -0.196 0.000 0.252 513 V C 1.668 177.606 176.094 -0.259 0.000 1.068 513 V CA 1.806 63.975 62.300 -0.220 0.000 1.061 513 V CB -0.616 31.035 31.823 -0.285 0.000 0.656 513 V HN 0.568 nan 8.190 nan 0.000 0.455 514 F N 0.312 120.191 119.950 -0.119 0.000 2.451 514 F HA -0.027 4.382 4.527 -0.196 0.000 0.299 514 F C 2.260 178.007 175.800 -0.089 0.000 1.101 514 F CA 1.280 59.232 58.000 -0.079 0.000 1.436 514 F CB -0.432 38.525 39.000 -0.073 0.000 1.074 514 F HN 0.139 nan 8.300 nan 0.000 0.553 515 K N -0.429 119.945 120.400 -0.044 0.000 2.280 515 K HA -0.154 4.049 4.320 -0.196 0.000 0.202 515 K C 0.934 177.575 176.600 0.068 0.000 1.047 515 K CA 1.038 57.299 56.287 -0.043 0.000 0.942 515 K CB -0.181 32.197 32.500 -0.204 0.000 0.739 515 K HN 0.079 nan 8.250 nan 0.000 0.457 516 N N 0.370 119.136 118.700 0.109 0.000 2.291 516 N HA 0.139 4.762 4.740 -0.196 0.000 0.244 516 N C -1.215 174.315 175.510 0.034 0.000 1.216 516 N CA -0.063 53.046 53.050 0.099 0.000 0.879 516 N CB 0.499 39.078 38.487 0.153 0.000 1.167 516 N HN -0.043 nan 8.380 nan 0.000 0.515 517 L N 1.030 122.269 121.223 0.027 0.000 2.265 517 L HA 0.425 4.647 4.340 -0.196 0.000 0.289 517 L C 0.612 177.482 176.870 0.000 0.000 1.033 517 L CA -0.409 54.435 54.840 0.007 0.000 0.814 517 L CB 1.204 43.282 42.059 0.032 0.000 1.203 517 L HN -0.201 nan 8.230 nan 0.000 0.423 518 K N 1.446 121.811 120.400 -0.058 0.000 2.478 518 K HA 0.226 4.429 4.320 -0.196 0.000 0.205 518 K C 0.230 176.709 176.600 -0.201 0.000 1.033 518 K CA -0.028 56.195 56.287 -0.107 0.000 1.091 518 K CB 0.870 33.313 32.500 -0.096 0.000 0.844 518 K HN 0.662 nan 8.250 nan 0.000 0.507 519 T N -3.399 111.030 114.554 -0.208 0.000 2.906 519 T HA 0.404 4.636 4.350 -0.196 0.000 0.295 519 T C 0.736 175.293 174.700 -0.239 0.000 1.075 519 T CA -0.653 61.263 62.100 -0.306 0.000 1.005 519 T CB 0.834 69.577 68.868 -0.207 0.000 1.136 519 T HN -0.074 nan 8.240 nan 0.000 0.498 520 Y N 0.676 121.012 120.300 0.059 0.000 2.274 520 Y HA 0.102 4.533 4.550 -0.199 0.000 0.290 520 Y C 2.608 178.491 175.900 -0.028 0.000 1.145 520 Y CA 1.001 59.151 58.100 0.083 0.000 1.203 520 Y CB -0.388 38.196 38.460 0.206 0.000 0.984 520 Y HN 0.693 nan 8.280 nan 0.000 0.533 521 K N 0.341 120.735 120.400 -0.009 0.000 2.031 521 K HA -0.158 4.044 4.320 -0.196 0.000 0.205 521 K C 1.415 177.883 176.600 -0.221 0.000 1.049 521 K CA 1.625 57.737 56.287 -0.292 0.000 0.939 521 K CB -0.109 32.188 32.500 -0.338 0.000 0.717 521 K HN 0.170 nan 8.250 nan 0.000 0.438 522 D N 0.937 121.249 120.400 -0.147 0.000 2.149 522 D HA -0.165 4.358 4.640 -0.196 0.000 0.198 522 D C 1.949 178.211 176.300 -0.062 0.000 0.990 522 D CA 1.116 55.033 54.000 -0.138 0.000 0.839 522 D CB -0.086 40.652 40.800 -0.104 0.000 0.948 522 D HN 0.314 nan 8.370 nan 0.000 0.460 523 I N 0.443 121.040 120.570 0.044 0.000 2.202 523 I HA -0.243 3.810 4.170 -0.196 0.000 0.242 523 I C 2.599 178.805 176.117 0.148 0.000 1.091 523 I CA 0.735 62.160 61.300 0.209 0.000 1.368 523 I CB -0.206 37.929 38.000 0.224 0.000 1.058 523 I HN -0.064 nan 8.210 nan 0.000 0.410 524 S N 1.198 116.911 115.700 0.021 0.000 2.353 524 S HA -0.196 4.157 4.470 -0.196 0.000 0.222 524 S C 2.125 176.682 174.600 -0.071 0.000 1.035 524 S CA 1.536 59.712 58.200 -0.039 0.000 1.025 524 S CB -0.461 62.654 63.200 -0.142 0.000 0.902 524 S HN 0.320 nan 8.310 nan 0.000 0.440 525 L N 0.309 121.419 121.223 -0.188 0.000 2.043 525 L HA -0.167 4.055 4.340 -0.196 0.000 0.212 525 L C 2.747 179.481 176.870 -0.226 0.000 1.075 525 L CA 1.840 56.482 54.840 -0.330 0.000 0.752 525 L CB -0.470 41.209 42.059 -0.633 0.000 0.891 525 L HN 0.433 nan 8.230 nan 0.000 0.432 526 M N -0.421 119.122 119.600 -0.094 0.000 2.156 526 M HA -0.178 4.184 4.480 -0.196 0.000 0.264 526 M C 2.237 178.667 176.300 0.217 0.000 1.067 526 M CA 1.756 57.127 55.300 0.118 0.000 1.131 526 M CB -0.316 32.265 32.600 -0.032 0.000 1.368 526 M HN 0.113 nan 8.290 nan 0.000 0.416 527 Q N -1.011 118.946 119.800 0.262 0.000 2.096 527 Q HA -0.179 4.044 4.340 -0.196 0.000 0.204 527 Q C 2.198 178.271 176.000 0.123 0.000 0.982 527 Q CA 2.031 57.966 55.803 0.221 0.000 0.850 527 Q CB -0.481 28.326 28.738 0.114 0.000 0.901 527 Q HN 0.713 nan 8.270 nan 0.000 0.422 528 S N 0.475 116.230 115.700 0.091 0.000 2.406 528 S HA -0.079 4.274 4.470 -0.196 0.000 0.228 528 S C 1.842 176.493 174.600 0.085 0.000 1.020 528 S CA 0.358 58.598 58.200 0.067 0.000 0.965 528 S CB -0.112 63.112 63.200 0.039 0.000 0.798 528 S HN 0.404 nan 8.310 nan 0.000 0.488 529 L N 1.300 122.606 121.223 0.138 0.000 2.044 529 L HA 0.119 4.341 4.340 -0.196 0.000 0.205 529 L C 2.168 179.069 176.870 0.052 0.000 1.075 529 L CA 1.690 56.591 54.840 0.103 0.000 0.747 529 L CB -1.194 40.986 42.059 0.200 0.000 0.903 529 L HN 0.418 nan 8.230 nan 0.000 0.435 530 L N 0.302 121.572 121.223 0.078 0.000 2.131 530 L HA -0.157 4.065 4.340 -0.196 0.000 0.210 530 L C 2.462 179.364 176.870 0.053 0.000 1.092 530 L CA 1.550 56.429 54.840 0.065 0.000 0.759 530 L CB -0.515 41.609 42.059 0.108 0.000 0.903 530 L HN 0.470 nan 8.230 nan 0.000 0.435 531 S N -3.052 112.680 115.700 0.053 0.000 2.539 531 S HA 0.022 4.375 4.470 -0.196 0.000 0.221 531 S C 0.549 175.162 174.600 0.023 0.000 0.987 531 S CA -0.521 57.700 58.200 0.035 0.000 0.929 531 S CB -0.038 63.181 63.200 0.032 0.000 0.832 531 S HN 0.199 nan 8.310 nan 0.000 0.492 532 D N 2.241 122.655 120.400 0.023 0.000 2.338 532 D HA 0.498 5.021 4.640 -0.196 0.000 0.255 532 D C 1.036 177.340 176.300 0.007 0.000 1.237 532 D CA 0.113 54.121 54.000 0.014 0.000 0.883 532 D CB 1.306 42.115 40.800 0.016 0.000 1.087 532 D HN 0.246 nan 8.370 nan 0.000 0.485 533 A N 3.307 126.130 122.820 0.005 0.000 2.119 533 A HA 0.087 4.289 4.320 -0.196 0.000 0.216 533 A C 2.026 179.609 177.584 -0.002 0.000 1.152 533 A CA 1.021 53.059 52.037 0.002 0.000 0.708 533 A CB -0.311 18.691 19.000 0.003 0.000 0.805 533 A HN 0.620 nan 8.150 nan 0.000 0.460 534 G N -0.593 108.205 108.800 -0.003 0.000 2.501 534 G HA2 0.100 3.943 3.960 -0.196 0.000 0.220 534 G HA3 0.100 3.943 3.960 -0.196 0.000 0.220 534 G C 0.483 175.375 174.900 -0.014 0.000 1.114 534 G CA 1.004 46.100 45.100 -0.008 0.000 0.757 534 G HN 0.304 nan 8.290 nan 0.000 0.559 535 V N 1.212 121.117 119.914 -0.015 0.000 2.350 535 V HA 0.638 4.641 4.120 -0.196 0.000 0.276 535 V C 0.546 176.626 176.094 -0.023 0.000 1.028 535 V CA -1.114 61.170 62.300 -0.026 0.000 0.860 535 V CB 0.872 32.675 31.823 -0.034 0.000 0.990 535 V HN 0.372 nan 8.190 nan 0.000 0.453 536 A N 3.831 126.636 122.820 -0.026 0.000 2.388 536 A HA 0.560 4.763 4.320 -0.196 0.000 0.257 536 A C 0.496 178.067 177.584 -0.021 0.000 1.095 536 A CA -0.054 51.972 52.037 -0.019 0.000 0.791 536 A CB 0.674 19.663 19.000 -0.018 0.000 1.029 536 A HN 0.832 nan 8.150 nan 0.000 0.489 537 S N 2.192 117.886 115.700 -0.010 0.000 2.532 537 S HA 0.508 4.861 4.470 -0.196 0.000 0.256 537 S C -0.922 173.681 174.600 0.005 0.000 1.298 537 S CA -0.447 57.749 58.200 -0.007 0.000 1.166 537 S CB -0.199 63.001 63.200 -0.001 0.000 1.022 537 S HN 0.628 nan 8.310 nan 0.000 0.480 538 V N 6.175 126.093 119.914 0.006 0.000 2.555 538 V HA 0.521 4.524 4.120 -0.196 0.000 0.302 538 V C -2.184 173.928 176.094 0.029 0.000 1.038 538 V CA -2.082 60.228 62.300 0.017 0.000 0.887 538 V CB 1.717 33.549 31.823 0.014 0.000 0.991 538 V HN 0.621 nan 8.190 nan 0.000 0.434 539 P HA 0.097 nan 4.420 nan 0.000 0.262 539 P C -0.107 177.245 177.300 0.087 0.000 1.182 539 P CA 0.123 63.267 63.100 0.073 0.000 0.761 539 P CB 0.300 32.055 31.700 0.091 0.000 0.795 540 R N 1.202 121.757 120.500 0.093 0.000 2.640 540 R HA 0.148 4.371 4.340 -0.196 0.000 0.270 540 R C 0.946 177.389 176.300 0.237 0.000 1.024 540 R CA 0.343 56.515 56.100 0.121 0.000 1.085 540 R CB 0.083 30.410 30.300 0.045 0.000 0.963 540 R HN 0.425 nan 8.270 nan 0.000 0.426 541 T N 0.774 115.455 114.554 0.210 0.000 2.849 541 T HA 0.111 4.343 4.350 -0.196 0.000 0.284 541 T C 0.180 175.064 174.700 0.307 0.000 1.004 541 T CA -0.410 61.810 62.100 0.202 0.000 1.021 541 T CB 0.817 69.760 68.868 0.124 0.000 1.013 541 T HN 0.494 nan 8.240 nan 0.000 0.527 542 S N 1.968 117.753 115.700 0.142 0.000 2.568 542 S HA 0.429 4.782 4.470 -0.196 0.000 0.282 542 S C -0.992 173.673 174.600 0.107 0.000 1.338 542 S CA -0.068 58.140 58.200 0.013 0.000 1.045 542 S CB -0.194 62.938 63.200 -0.113 0.000 0.873 542 S HN 0.643 nan 8.310 nan 0.000 0.516 543 Y N -0.420 119.930 120.300 0.083 0.000 2.656 543 Y HA 0.725 5.158 4.550 -0.196 0.000 0.334 543 Y C -1.551 174.364 175.900 0.025 0.000 1.179 543 Y CA -1.447 56.678 58.100 0.041 0.000 1.050 543 Y CB 1.098 39.581 38.460 0.038 0.000 1.308 543 Y HN 0.480 nan 8.280 nan 0.000 0.456 544 L N 2.536 123.870 121.223 0.185 0.000 2.555 544 L HA 0.590 4.813 4.340 -0.196 0.000 0.264 544 L C -1.400 175.475 176.870 0.008 0.000 0.972 544 L CA -0.319 54.568 54.840 0.078 0.000 0.876 544 L CB 1.731 43.794 42.059 0.007 0.000 1.216 544 L HN 0.834 nan 8.230 nan 0.000 0.415 545 S N 3.293 118.947 115.700 -0.076 0.000 2.429 545 S HA 0.606 4.959 4.470 -0.196 0.000 0.302 545 S C 0.191 174.442 174.600 -0.580 0.000 1.115 545 S CA -0.448 57.489 58.200 -0.437 0.000 1.095 545 S CB 1.581 64.332 63.200 -0.748 0.000 0.987 545 S HN 0.646 nan 8.310 nan 0.000 0.474 546 A N 3.538 126.079 122.820 -0.465 0.000 2.650 546 A HA 0.502 4.704 4.320 -0.196 0.000 0.320 546 A C -0.378 176.996 177.584 -0.350 0.000 1.466 546 A CA -0.498 51.322 52.037 -0.361 0.000 1.099 546 A CB -0.745 18.089 19.000 -0.275 0.000 1.136 546 A HN 0.701 nan 8.150 nan 0.000 0.532 547 F N 2.119 122.027 119.950 -0.069 0.000 2.666 547 F HA 0.100 4.510 4.527 -0.195 0.000 0.362 547 F C 1.373 177.113 175.800 -0.100 0.000 1.190 547 F CA -0.643 57.314 58.000 -0.071 0.000 1.328 547 F CB -0.660 38.306 39.000 -0.056 0.000 1.682 547 F HN 0.536 nan 8.300 nan 0.000 0.623 548 N N 0.885 119.582 118.700 -0.005 0.000 2.137 548 N HA -0.181 4.442 4.740 -0.196 0.000 0.190 548 N C 1.869 177.360 175.510 -0.031 0.000 1.017 548 N CA 1.078 54.105 53.050 -0.038 0.000 0.859 548 N CB 0.090 38.484 38.487 -0.154 0.000 1.002 548 N HN 0.187 nan 8.380 nan 0.000 0.428 549 K N 0.822 121.170 120.400 -0.086 0.000 2.442 549 K HA 0.005 4.208 4.320 -0.196 0.000 0.198 549 K C 1.606 177.999 176.600 -0.345 0.000 1.042 549 K CA 0.558 56.662 56.287 -0.305 0.000 0.958 549 K CB -0.187 31.974 32.500 -0.565 0.000 0.766 549 K HN 0.525 nan 8.250 nan 0.000 0.474 550 M N -2.022 117.479 119.600 -0.165 0.000 2.504 550 M HA 0.297 4.659 4.480 -0.196 0.000 0.370 550 M C -1.044 175.243 176.300 -0.022 0.000 1.110 550 M CA -0.103 55.124 55.300 -0.121 0.000 0.938 550 M CB 0.686 33.193 32.600 -0.155 0.000 1.460 550 M HN -0.206 nan 8.290 nan 0.000 0.535 551 D N 1.706 122.112 120.400 0.010 0.000 2.772 551 D HA -0.109 4.413 4.640 -0.196 0.000 0.233 551 D C -0.702 175.628 176.300 0.050 0.000 1.143 551 D CA 1.045 55.070 54.000 0.042 0.000 0.700 551 D CB -0.598 40.246 40.800 0.073 0.000 1.076 551 D HN 0.494 nan 8.370 nan 0.000 0.430 552 K N -0.118 120.329 120.400 0.078 0.000 2.328 552 K HA 0.697 4.899 4.320 -0.196 0.000 0.246 552 K C 0.219 176.898 176.600 0.131 0.000 0.955 552 K CA -0.472 55.876 56.287 0.101 0.000 0.817 552 K CB 2.111 34.683 32.500 0.121 0.000 1.208 552 K HN -0.134 nan 8.250 nan 0.000 0.432 553 T N 0.403 114.994 114.554 0.063 0.000 2.916 553 T HA 0.653 4.886 4.350 -0.196 0.000 0.298 553 T C -1.275 173.468 174.700 0.071 0.000 1.031 553 T CA -0.693 61.419 62.100 0.020 0.000 0.993 553 T CB 1.794 70.647 68.868 -0.025 0.000 1.045 553 T HN 0.600 nan 8.240 nan 0.000 0.454 554 A N 3.602 126.470 122.820 0.080 0.000 2.343 554 A HA 0.871 5.073 4.320 -0.196 0.000 0.308 554 A C -0.709 176.987 177.584 0.186 0.000 1.092 554 A CA -0.737 51.407 52.037 0.178 0.000 0.751 554 A CB 1.281 20.457 19.000 0.293 0.000 1.203 554 A HN 0.847 nan 8.150 nan 0.000 0.452 555 M N 2.796 122.523 119.600 0.212 0.000 2.518 555 M HA 0.716 5.079 4.480 -0.196 0.000 0.300 555 M C -2.316 173.959 176.300 -0.042 0.000 1.175 555 M CA -0.696 54.656 55.300 0.086 0.000 0.890 555 M CB 2.192 34.920 32.600 0.214 0.000 1.710 555 M HN 0.820 nan 8.290 nan 0.000 0.453 556 Y N 3.122 123.079 120.300 -0.570 0.000 2.401 556 Y HA 0.422 4.855 4.550 -0.195 0.000 0.330 556 Y C -1.780 173.755 175.900 -0.607 0.000 1.071 556 Y CA -0.787 56.909 58.100 -0.674 0.000 1.049 556 Y CB 1.633 39.480 38.460 -1.021 0.000 1.239 556 Y HN 0.822 nan 8.280 nan 0.000 0.437 557 N N 4.190 122.056 118.700 -1.390 0.000 2.476 557 N HA 0.546 5.168 4.740 -0.196 0.000 0.257 557 N C 0.160 174.953 175.510 -1.194 0.000 0.970 557 N CA 0.296 52.696 53.050 -1.083 0.000 0.938 557 N CB 1.520 39.375 38.487 -1.054 0.000 1.144 557 N HN 0.789 nan 8.380 nan 0.000 0.500 558 A N 2.979 125.351 122.820 -0.746 0.000 2.067 558 A HA -0.083 4.120 4.320 -0.196 0.000 0.217 558 A C 1.859 179.329 177.584 -0.190 0.000 1.156 558 A CA 0.720 52.524 52.037 -0.389 0.000 0.683 558 A CB -0.378 18.617 19.000 -0.007 0.000 0.808 558 A HN 0.871 nan 8.150 nan 0.000 0.455 559 E N 0.511 120.600 120.200 -0.185 0.000 2.017 559 E HA -0.188 4.044 4.350 -0.196 0.000 0.193 559 E C 1.548 178.117 176.600 -0.051 0.000 0.997 559 E CA 1.354 57.703 56.400 -0.085 0.000 0.804 559 E CB -0.114 29.546 29.700 -0.068 0.000 0.757 559 E HN 0.545 nan 8.360 nan 0.000 0.448 560 K N -1.035 119.330 120.400 -0.058 0.000 2.361 560 K HA 0.081 4.284 4.320 -0.196 0.000 0.196 560 K C 0.922 177.560 176.600 0.063 0.000 1.039 560 K CA 0.615 56.933 56.287 0.051 0.000 1.001 560 K CB 0.681 33.291 32.500 0.184 0.000 0.795 560 K HN 0.365 nan 8.250 nan 0.000 0.495 561 G N 2.483 111.209 108.800 -0.124 0.000 2.171 561 G HA2 -0.239 3.603 3.960 -0.196 0.000 0.238 561 G HA3 -0.239 3.603 3.960 -0.196 0.000 0.238 561 G C -0.181 174.796 174.900 0.127 0.000 1.039 561 G CA 0.181 45.268 45.100 -0.023 0.000 0.759 561 G HN 0.360 nan 8.290 nan 0.000 0.501 562 F N -0.549 119.377 119.950 -0.040 0.000 2.561 562 F HA 0.890 5.299 4.527 -0.196 0.000 0.321 562 F C 0.387 176.312 175.800 0.207 0.000 1.065 562 F CA -1.371 56.711 58.000 0.137 0.000 0.934 562 F CB 1.330 40.401 39.000 0.118 0.000 1.215 562 F HN 0.328 nan 8.300 nan 0.000 0.471 563 G N 1.077 110.204 108.800 0.546 0.000 2.471 563 G HA2 0.621 4.464 3.960 -0.196 0.000 0.332 563 G HA3 0.621 4.464 3.960 -0.196 0.000 0.332 563 G C -2.421 172.939 174.900 0.767 0.000 1.176 563 G CA -0.807 44.629 45.100 0.559 0.000 0.949 563 G HN 0.833 nan 8.290 nan 0.000 0.488 564 F N 0.392 120.621 119.950 0.465 0.000 2.574 564 F HA 0.677 5.086 4.527 -0.196 0.000 0.313 564 F C -0.072 175.946 175.800 0.363 0.000 1.130 564 F CA -0.754 57.510 58.000 0.440 0.000 0.936 564 F CB 2.170 41.408 39.000 0.397 0.000 1.219 564 F HN 0.749 nan 8.300 nan 0.000 0.445 565 G N 5.489 114.140 108.800 -0.247 0.000 2.590 565 G HA2 0.588 4.431 3.960 -0.196 0.000 0.310 565 G HA3 0.588 4.431 3.960 -0.196 0.000 0.310 565 G C -2.594 172.074 174.900 -0.387 0.000 1.347 565 G CA -0.729 44.266 45.100 -0.175 0.000 0.963 565 G HN 0.745 nan 8.290 nan 0.000 0.494 566 L N 2.265 123.303 121.223 -0.308 0.000 2.372 566 L HA 0.703 4.926 4.340 -0.196 0.000 0.273 566 L C -0.072 176.712 176.870 -0.144 0.000 0.989 566 L CA -0.561 54.085 54.840 -0.323 0.000 0.841 566 L CB 2.111 43.901 42.059 -0.447 0.000 1.225 566 L HN 0.390 nan 8.230 nan 0.000 0.414 567 S N 5.980 121.659 115.700 -0.034 0.000 2.434 567 S HA 0.719 5.072 4.470 -0.196 0.000 0.318 567 S C -0.411 174.245 174.600 0.093 0.000 1.062 567 S CA -0.519 57.723 58.200 0.069 0.000 1.116 567 S CB -0.240 63.081 63.200 0.202 0.000 0.977 567 S HN 0.598 nan 8.310 nan 0.000 0.480 568 L N 4.036 125.319 121.223 0.100 0.000 2.267 568 L HA 0.861 5.084 4.340 -0.196 0.000 0.264 568 L C -0.492 176.596 176.870 0.364 0.000 1.021 568 L CA -1.244 53.724 54.840 0.213 0.000 0.861 568 L CB 1.203 43.319 42.059 0.095 0.000 1.443 568 L HN 0.683 nan 8.230 nan 0.000 0.475 569 F N -1.274 118.762 119.950 0.143 0.000 2.779 569 F HA 0.819 5.228 4.527 -0.196 0.000 0.316 569 F C -0.684 175.208 175.800 0.154 0.000 1.164 569 F CA -0.690 57.388 58.000 0.130 0.000 0.924 569 F CB 1.195 40.285 39.000 0.150 0.000 1.348 569 F HN 0.555 nan 8.300 nan 0.000 0.467 570 S N -0.576 115.097 115.700 -0.046 0.000 2.790 570 S HA 0.419 4.772 4.470 -0.196 0.000 0.292 570 S C 0.357 174.942 174.600 -0.026 0.000 1.197 570 S CA -0.072 58.050 58.200 -0.130 0.000 0.851 570 S CB 0.620 63.805 63.200 -0.024 0.000 1.217 570 S HN 1.573 nan 8.310 nan 0.000 0.526 571 S N 0.427 116.124 115.700 -0.005 0.000 2.440 571 S HA -0.075 4.277 4.470 -0.196 0.000 0.238 571 S C 1.367 176.006 174.600 0.064 0.000 1.010 571 S CA 0.874 59.100 58.200 0.043 0.000 0.972 571 S CB -0.638 62.582 63.200 0.034 0.000 0.774 571 S HN 0.688 nan 8.310 nan 0.000 0.501 572 R N 1.312 121.845 120.500 0.054 0.000 2.334 572 R HA 0.188 4.410 4.340 -0.196 0.000 0.216 572 R C 0.045 176.376 176.300 0.052 0.000 0.905 572 R CA 0.790 56.915 56.100 0.042 0.000 1.064 572 R CB 0.464 30.771 30.300 0.012 0.000 1.046 572 R HN 0.664 nan 8.270 nan 0.000 0.508 573 T N -2.498 112.121 114.554 0.108 0.000 2.894 573 T HA 0.372 4.604 4.350 -0.196 0.000 0.309 573 T C -0.997 173.847 174.700 0.240 0.000 1.208 573 T CA -0.919 61.259 62.100 0.130 0.000 1.016 573 T CB 1.774 70.708 68.868 0.109 0.000 1.192 573 T HN -0.153 nan 8.240 nan 0.000 0.491 574 L N 3.254 124.556 121.223 0.131 0.000 2.326 574 L HA 0.393 4.615 4.340 -0.196 0.000 0.278 574 L C 1.540 178.380 176.870 -0.050 0.000 1.092 574 L CA -0.269 54.611 54.840 0.068 0.000 0.810 574 L CB 0.840 42.885 42.059 -0.022 0.000 1.153 574 L HN 0.901 nan 8.230 nan 0.000 0.439 575 N N 2.865 121.348 118.700 -0.361 0.000 2.039 575 N HA -0.141 4.482 4.740 -0.196 0.000 0.193 575 N C -0.327 175.092 175.510 -0.152 0.000 1.044 575 N CA 1.746 54.368 53.050 -0.713 0.000 0.847 575 N CB -0.514 37.133 38.487 -1.399 0.000 1.030 575 N HN 0.563 nan 8.380 nan 0.000 0.422 576 Y N -2.464 117.700 120.300 -0.227 0.000 2.571 576 Y HA 0.620 5.052 4.550 -0.196 0.000 0.341 576 Y C -1.207 174.642 175.900 -0.084 0.000 1.076 576 Y CA -1.677 56.328 58.100 -0.157 0.000 1.029 576 Y CB 1.073 39.436 38.460 -0.162 0.000 1.308 576 Y HN 0.077 nan 8.280 nan 0.000 0.461 577 E N 2.941 123.069 120.200 -0.120 0.000 2.102 577 E HA 0.174 4.407 4.350 -0.196 0.000 0.263 577 E C -1.641 174.986 176.600 0.046 0.000 0.894 577 E CA -0.631 55.715 56.400 -0.090 0.000 0.746 577 E CB 0.498 30.231 29.700 0.054 0.000 1.129 577 E HN 0.869 nan 8.360 nan 0.000 0.416 578 H N 6.671 125.648 119.070 -0.154 0.000 2.623 578 H HA 0.421 4.859 4.556 -0.196 0.000 0.299 578 H C -1.169 174.141 175.328 -0.030 0.000 1.052 578 H CA -0.647 55.382 56.048 -0.031 0.000 1.231 578 H CB 0.762 30.544 29.762 0.033 0.000 1.389 578 H HN 0.582 nan 8.280 nan 0.000 0.469 579 M N 4.464 123.983 119.600 -0.135 0.000 2.520 579 M HA 0.135 4.498 4.480 -0.196 0.000 0.280 579 M C -0.793 175.459 176.300 -0.080 0.000 1.232 579 M CA -0.566 54.637 55.300 -0.161 0.000 0.892 579 M CB 1.594 34.164 32.600 -0.050 0.000 1.728 579 M HN 0.734 nan 8.290 nan 0.000 0.475 580 N N 2.765 121.413 118.700 -0.087 0.000 2.710 580 N HA -0.207 4.416 4.740 -0.196 0.000 0.249 580 N C -0.746 174.767 175.510 0.004 0.000 1.059 580 N CA 1.694 54.725 53.050 -0.031 0.000 0.720 580 N CB -1.302 37.185 38.487 0.000 0.000 0.983 580 N HN 0.819 nan 8.380 nan 0.000 0.544 581 K N -2.577 117.817 120.400 -0.009 0.000 3.274 581 K HA -0.264 3.939 4.320 -0.196 0.000 0.300 581 K C -0.498 176.197 176.600 0.159 0.000 1.230 581 K CA 1.484 57.830 56.287 0.097 0.000 0.884 581 K CB -1.102 31.445 32.500 0.078 0.000 1.242 581 K HN 0.612 nan 8.250 nan 0.000 0.467 582 E N 0.954 121.249 120.200 0.157 0.000 2.214 582 E HA 0.304 4.537 4.350 -0.196 0.000 0.274 582 E C -0.051 176.669 176.600 0.200 0.000 0.977 582 E CA -1.122 55.365 56.400 0.145 0.000 0.827 582 E CB 0.978 30.735 29.700 0.094 0.000 1.130 582 E HN 0.187 nan 8.360 nan 0.000 0.394 583 N N 1.573 120.321 118.700 0.079 0.000 2.753 583 N HA -0.169 4.453 4.740 -0.196 0.000 0.252 583 N C -0.221 175.196 175.510 -0.156 0.000 1.071 583 N CA 0.467 53.499 53.050 -0.030 0.000 0.690 583 N CB -0.668 37.816 38.487 -0.004 0.000 0.906 583 N HN 0.558 nan 8.380 nan 0.000 0.552 584 K N 0.105 120.327 120.400 -0.297 0.000 2.296 584 K HA 0.074 4.277 4.320 -0.196 0.000 0.200 584 K C 0.542 176.662 176.600 -0.800 0.000 1.048 584 K CA 0.765 56.704 56.287 -0.581 0.000 0.966 584 K CB 0.206 32.503 32.500 -0.338 0.000 0.754 584 K HN 0.383 nan 8.250 nan 0.000 0.466 585 R N -0.080 119.852 120.500 -0.946 0.000 2.748 585 R HA 0.139 4.362 4.340 -0.196 0.000 0.395 585 R C 0.805 176.194 176.300 -1.520 0.000 1.128 585 R CA -0.186 54.828 56.100 -1.810 0.000 1.042 585 R CB 1.045 30.472 30.300 -1.455 0.000 1.392 585 R HN 0.037 nan 8.270 nan 0.000 0.582 586 G N 0.086 108.147 108.800 -1.231 0.000 3.181 586 G HA2 -0.084 3.759 3.960 -0.196 0.000 0.219 586 G HA3 -0.084 3.759 3.960 -0.196 0.000 0.219 586 G C 0.717 174.873 174.900 -1.240 0.000 1.182 586 G CA -0.367 44.198 45.100 -0.892 0.000 0.791 586 G HN 0.339 nan 8.290 nan 0.000 0.537 587 W N 0.576 121.016 121.300 -1.433 0.000 2.275 587 W HA -0.194 4.349 4.660 -0.195 0.000 0.321 587 W C 1.092 177.175 176.519 -0.727 0.000 1.269 587 W CA 0.950 57.423 57.345 -1.452 0.000 1.274 587 W CB -0.911 27.604 29.460 -1.576 0.000 1.141 587 W HN 0.381 nan 8.180 nan 0.000 0.493 588 Y N 0.035 120.310 120.300 -0.043 0.000 2.584 588 Y HA 0.082 4.515 4.550 -0.196 0.000 0.254 588 Y C 2.270 178.220 175.900 0.083 0.000 1.177 588 Y CA 0.486 58.644 58.100 0.097 0.000 1.216 588 Y CB -1.209 37.335 38.460 0.141 0.000 1.172 588 Y HN -0.103 nan 8.280 nan 0.000 0.529 589 T N -4.155 110.468 114.554 0.115 0.000 3.025 589 T HA -0.083 4.149 4.350 -0.196 0.000 0.270 589 T C 1.305 176.124 174.700 0.198 0.000 1.126 589 T CA 1.493 63.694 62.100 0.168 0.000 1.105 589 T CB -0.180 68.766 68.868 0.130 0.000 0.884 589 T HN 0.134 nan 8.240 nan 0.000 0.522 590 S N 0.751 116.566 115.700 0.192 0.000 2.846 590 S HA 0.224 4.576 4.470 -0.196 0.000 0.249 590 S C -0.276 174.597 174.600 0.456 0.000 1.028 590 S CA -0.504 57.848 58.200 0.253 0.000 1.043 590 S CB 0.377 63.669 63.200 0.153 0.000 0.990 590 S HN 0.334 nan 8.310 nan 0.000 0.564 591 D N 2.208 122.866 120.400 0.429 0.000 3.038 591 D HA 0.372 4.894 4.640 -0.196 0.000 0.243 591 D C 1.150 177.591 176.300 0.234 0.000 1.245 591 D CA 0.231 54.503 54.000 0.455 0.000 0.871 591 D CB -0.340 40.710 40.800 0.418 0.000 1.089 591 D HN 0.432 nan 8.370 nan 0.000 0.464 592 G N 1.449 110.442 108.800 0.321 0.000 2.198 592 G HA2 -0.334 3.509 3.960 -0.196 0.000 0.257 592 G HA3 -0.334 3.509 3.960 -0.196 0.000 0.257 592 G C 0.365 175.471 174.900 0.343 0.000 1.042 592 G CA 0.149 45.470 45.100 0.370 0.000 0.791 592 G HN 0.445 nan 8.290 nan 0.000 0.502 593 M N 0.573 120.315 119.600 0.237 0.000 2.228 593 M HA 0.609 4.972 4.480 -0.196 0.000 0.351 593 M C 0.537 176.938 176.300 0.169 0.000 1.233 593 M CA -0.640 54.771 55.300 0.184 0.000 1.129 593 M CB 0.141 32.795 32.600 0.090 0.000 1.604 593 M HN 0.529 nan 8.290 nan 0.000 0.457 594 F N 4.064 124.061 119.950 0.077 0.000 2.470 594 F HA 0.697 5.106 4.527 -0.196 0.000 0.329 594 F C -2.149 173.553 175.800 -0.164 0.000 1.072 594 F CA -0.991 56.999 58.000 -0.018 0.000 0.989 594 F CB 0.652 39.832 39.000 0.300 0.000 1.193 594 F HN 0.466 nan 8.300 nan 0.000 0.481 595 Y N 2.668 122.858 120.300 -0.183 0.000 2.468 595 Y HA 0.663 5.096 4.550 -0.196 0.000 0.342 595 Y C -0.998 174.860 175.900 -0.070 0.000 1.021 595 Y CA -1.146 56.754 58.100 -0.333 0.000 1.079 595 Y CB 2.058 40.190 38.460 -0.546 0.000 1.226 595 Y HN 0.774 nan 8.280 nan 0.000 0.460 596 L N 3.618 124.859 121.223 0.029 0.000 2.404 596 L HA 0.520 4.742 4.340 -0.196 0.000 0.272 596 L C -2.145 174.688 176.870 -0.062 0.000 0.980 596 L CA -0.902 54.054 54.840 0.192 0.000 0.836 596 L CB 0.552 42.789 42.059 0.296 0.000 1.238 596 L HN 0.463 nan 8.230 nan 0.000 0.408 597 Y N 5.353 125.881 120.300 0.380 0.000 2.434 597 Y HA 0.481 4.914 4.550 -0.196 0.000 0.341 597 Y C 0.457 176.544 175.900 0.311 0.000 0.965 597 Y CA -0.547 57.747 58.100 0.323 0.000 1.205 597 Y CB 0.502 39.130 38.460 0.280 0.000 1.121 597 Y HN 0.774 nan 8.280 nan 0.000 0.507 598 N N -0.016 118.872 118.700 0.314 0.000 3.255 598 N HA 0.366 4.989 4.740 -0.196 0.000 0.359 598 N C 1.283 176.925 175.510 0.221 0.000 1.463 598 N CA -0.421 52.785 53.050 0.261 0.000 0.695 598 N CB -0.107 38.477 38.487 0.161 0.000 1.581 598 N HN 0.438 nan 8.380 nan 0.000 0.622 599 G N -1.653 107.247 108.800 0.166 0.000 2.625 599 G HA2 -0.115 3.728 3.960 -0.196 0.000 0.214 599 G HA3 -0.115 3.728 3.960 -0.196 0.000 0.214 599 G C -0.159 174.806 174.900 0.108 0.000 1.132 599 G CA 0.622 45.804 45.100 0.138 0.000 0.782 599 G HN 0.707 nan 8.290 nan 0.000 0.538 600 D N 0.381 120.837 120.400 0.093 0.000 2.494 600 D HA 0.246 4.769 4.640 -0.196 0.000 0.217 600 D C 1.445 177.793 176.300 0.080 0.000 1.153 600 D CA -0.564 53.470 54.000 0.057 0.000 0.954 600 D CB 0.540 41.358 40.800 0.029 0.000 1.034 600 D HN -0.123 nan 8.370 nan 0.000 0.518 601 L N 2.513 123.779 121.223 0.070 0.000 2.201 601 L HA -0.086 4.136 4.340 -0.196 0.000 0.212 601 L C 2.401 179.202 176.870 -0.115 0.000 1.105 601 L CA 1.256 56.176 54.840 0.133 0.000 0.775 601 L CB -0.774 41.399 42.059 0.190 0.000 0.913 601 L HN 0.493 nan 8.230 nan 0.000 0.440 602 S N -2.132 113.248 115.700 -0.533 0.000 2.603 602 S HA -0.176 4.176 4.470 -0.196 0.000 0.229 602 S C 2.030 176.465 174.600 -0.275 0.000 0.972 602 S CA 0.304 58.036 58.200 -0.779 0.000 0.935 602 S CB -0.783 62.066 63.200 -0.585 0.000 0.769 602 S HN 0.551 nan 8.310 nan 0.000 0.536 603 H N 1.092 120.024 119.070 -0.231 0.000 2.319 603 H HA -0.147 4.291 4.556 -0.196 0.000 0.299 603 H C 0.627 175.629 175.328 -0.542 0.000 1.092 603 H CA 1.979 57.799 56.048 -0.380 0.000 1.302 603 H CB -0.390 29.068 29.762 -0.507 0.000 1.373 603 H HN 0.617 nan 8.280 nan 0.000 0.497 604 Y N 0.575 120.798 120.300 -0.128 0.000 2.471 604 Y HA 0.177 4.609 4.550 -0.196 0.000 0.286 604 Y C 1.159 177.075 175.900 0.026 0.000 1.188 604 Y CA -0.151 57.768 58.100 -0.300 0.000 1.286 604 Y CB 0.434 38.829 38.460 -0.108 0.000 1.072 604 Y HN 0.012 nan 8.280 nan 0.000 0.517 605 S N -1.442 114.341 115.700 0.139 0.000 2.855 605 S HA 0.234 4.587 4.470 -0.196 0.000 0.308 605 S C -0.427 174.306 174.600 0.223 0.000 1.077 605 S CA -0.741 57.625 58.200 0.276 0.000 0.896 605 S CB 0.676 64.049 63.200 0.288 0.000 1.339 605 S HN 0.186 nan 8.310 nan 0.000 0.602 606 D N 0.753 121.333 120.400 0.300 0.000 2.701 606 D HA -0.121 4.402 4.640 -0.196 0.000 0.235 606 D C 0.666 177.098 176.300 0.219 0.000 1.155 606 D CA 1.568 55.717 54.000 0.249 0.000 0.649 606 D CB -1.606 39.278 40.800 0.140 0.000 1.050 606 D HN 1.126 nan 8.370 nan 0.000 0.425 607 G N -0.909 108.103 108.800 0.353 0.000 2.198 607 G HA2 -0.446 3.396 3.960 -0.196 0.000 0.257 607 G HA3 -0.446 3.396 3.960 -0.196 0.000 0.257 607 G C 0.633 175.505 174.900 -0.047 0.000 1.042 607 G CA 0.728 45.921 45.100 0.154 0.000 0.791 607 G HN 0.542 nan 8.290 nan 0.000 0.502 608 Y N -0.710 119.534 120.300 -0.093 0.000 2.081 608 Y HA -0.118 4.314 4.550 -0.196 0.000 0.280 608 Y C 2.570 178.265 175.900 -0.343 0.000 1.163 608 Y CA 2.714 60.682 58.100 -0.219 0.000 1.135 608 Y CB -0.293 37.958 38.460 -0.350 0.000 0.970 608 Y HN 0.382 nan 8.280 nan 0.000 0.498 609 W N 1.119 122.358 121.300 -0.101 0.000 2.358 609 W HA -0.127 4.416 4.660 -0.196 0.000 0.303 609 W C -0.289 175.908 176.519 -0.536 0.000 1.208 609 W CA 1.455 58.640 57.345 -0.268 0.000 1.274 609 W CB -1.614 27.814 29.460 -0.055 0.000 1.138 609 W HN 0.197 nan 8.180 nan 0.000 0.515 610 P HA -0.036 nan 4.420 nan 0.000 0.233 610 P C 1.052 178.122 177.300 -0.384 0.000 1.167 610 P CA 1.974 64.748 63.100 -0.543 0.000 0.770 610 P CB 0.019 31.191 31.700 -0.879 0.000 0.837 611 T N -4.255 110.068 114.554 -0.385 0.000 3.000 611 T HA 0.118 4.350 4.350 -0.196 0.000 0.248 611 T C 0.845 175.224 174.700 -0.535 0.000 1.034 611 T CA -0.129 61.799 62.100 -0.287 0.000 1.060 611 T CB -0.817 68.028 68.868 -0.038 0.000 0.983 611 T HN -0.099 nan 8.240 nan 0.000 0.482 612 V N 3.643 123.053 119.914 -0.840 0.000 2.763 612 V HA 0.241 4.243 4.120 -0.196 0.000 0.306 612 V C 0.130 175.797 176.094 -0.712 0.000 1.059 612 V CA -0.461 61.104 62.300 -1.225 0.000 1.138 612 V CB 0.345 31.348 31.823 -1.368 0.000 0.940 612 V HN 0.577 nan 8.190 nan 0.000 0.489 613 N N 8.407 126.728 118.700 -0.632 0.000 2.402 613 N HA 0.282 4.905 4.740 -0.196 0.000 0.252 613 N C -1.503 173.904 175.510 -0.172 0.000 1.118 613 N CA -2.049 50.828 53.050 -0.289 0.000 0.945 613 N CB 1.352 39.718 38.487 -0.201 0.000 1.147 613 N HN 0.495 nan 8.380 nan 0.000 0.495 614 P HA -0.044 nan 4.420 nan 0.000 0.245 614 P C 0.291 177.615 177.300 0.039 0.000 1.212 614 P CA 0.714 63.722 63.100 -0.153 0.000 0.774 614 P CB 0.011 31.472 31.700 -0.398 0.000 0.999 615 Y N 0.798 121.240 120.300 0.235 0.000 2.523 615 Y HA 0.128 4.561 4.550 -0.196 0.000 0.279 615 Y C 1.421 177.399 175.900 0.130 0.000 1.139 615 Y CA 0.739 59.012 58.100 0.290 0.000 1.296 615 Y CB 0.110 38.672 38.460 0.169 0.000 1.045 615 Y HN -0.102 nan 8.280 nan 0.000 0.538 616 K N 0.130 120.623 120.400 0.156 0.000 3.271 616 K HA 0.226 4.428 4.320 -0.196 0.000 0.192 616 K C -0.695 175.906 176.600 0.002 0.000 1.108 616 K CA -0.296 56.021 56.287 0.051 0.000 0.902 616 K CB 0.443 32.946 32.500 0.005 0.000 0.889 616 K HN -0.033 nan 8.250 nan 0.000 0.520 617 M N 2.760 122.389 119.600 0.049 0.000 2.238 617 M HA 0.133 4.496 4.480 -0.196 0.000 0.350 617 M C -2.253 174.050 176.300 0.005 0.000 1.321 617 M CA -2.724 52.587 55.300 0.017 0.000 1.097 617 M CB -0.641 32.019 32.600 0.100 0.000 1.713 617 M HN 0.019 nan 8.290 nan 0.000 0.455 618 P HA 0.117 nan 4.420 nan 0.000 0.264 618 P C 0.910 178.303 177.300 0.154 0.000 1.193 618 P CA 0.769 63.813 63.100 -0.093 0.000 0.763 618 P CB 0.452 31.852 31.700 -0.500 0.000 0.810 619 G N 2.096 111.169 108.800 0.455 0.000 2.234 619 G HA2 -0.238 3.605 3.960 -0.196 0.000 0.260 619 G HA3 -0.238 3.605 3.960 -0.196 0.000 0.260 619 G C 0.333 175.493 174.900 0.433 0.000 0.987 619 G CA 0.482 45.986 45.100 0.674 0.000 0.625 619 G HN 0.879 nan 8.290 nan 0.000 0.532 620 T N -0.544 114.158 114.554 0.246 0.000 2.897 620 T HA 0.585 4.817 4.350 -0.196 0.000 0.294 620 T C 0.025 174.766 174.700 0.069 0.000 1.004 620 T CA 0.538 62.710 62.100 0.120 0.000 1.106 620 T CB 1.959 70.867 68.868 0.067 0.000 0.949 620 T HN 0.319 nan 8.240 nan 0.000 0.520 621 T N 4.144 118.706 114.554 0.013 0.000 2.758 621 T HA 0.561 4.794 4.350 -0.196 0.000 0.285 621 T C -0.597 174.178 174.700 0.126 0.000 0.981 621 T CA -0.700 61.474 62.100 0.123 0.000 0.965 621 T CB 0.847 69.851 68.868 0.227 0.000 0.927 621 T HN 0.694 nan 8.240 nan 0.000 0.448 622 E N 1.442 121.717 120.200 0.124 0.000 2.412 622 E HA 0.390 4.623 4.350 -0.196 0.000 0.279 622 E C -0.266 176.407 176.600 0.122 0.000 0.984 622 E CA -0.741 55.703 56.400 0.073 0.000 0.788 622 E CB 1.607 31.151 29.700 -0.260 0.000 1.277 622 E HN 0.678 nan 8.360 nan 0.000 0.455 623 T N -2.092 112.558 114.554 0.161 0.000 2.847 623 T HA 0.246 4.479 4.350 -0.196 0.000 0.279 623 T C 0.606 175.390 174.700 0.141 0.000 0.984 623 T CA -0.505 61.685 62.100 0.151 0.000 0.988 623 T CB 0.612 69.580 68.868 0.167 0.000 1.040 623 T HN 0.458 nan 8.240 nan 0.000 0.528 624 D N -0.460 119.995 120.400 0.093 0.000 2.358 624 D HA 0.220 4.743 4.640 -0.196 0.000 0.224 624 D C 0.831 177.133 176.300 0.003 0.000 1.123 624 D CA -0.484 53.535 54.000 0.031 0.000 0.833 624 D CB -0.825 39.955 40.800 -0.034 0.000 0.946 624 D HN 0.807 nan 8.370 nan 0.000 0.505 625 A N 1.209 124.101 122.820 0.119 0.000 2.555 625 A HA 0.218 4.421 4.320 -0.196 0.000 0.233 625 A C 0.668 178.287 177.584 0.058 0.000 1.060 625 A CA -0.145 51.971 52.037 0.132 0.000 0.759 625 A CB 0.035 19.224 19.000 0.315 0.000 0.995 625 A HN 0.464 nan 8.150 nan 0.000 0.506 626 K N 1.369 121.765 120.400 -0.007 0.000 2.202 626 K HA 0.583 4.786 4.320 -0.196 0.000 0.264 626 K C -0.284 176.250 176.600 -0.109 0.000 1.010 626 K CA -0.480 55.782 56.287 -0.042 0.000 0.940 626 K CB 0.736 33.203 32.500 -0.054 0.000 0.983 626 K HN 0.515 nan 8.250 nan 0.000 0.475 627 R N 0.423 120.746 120.500 -0.295 0.000 2.803 627 R HA 0.525 4.748 4.340 -0.196 0.000 0.276 627 R C -1.002 174.970 176.300 -0.546 0.000 0.978 627 R CA -1.014 54.551 56.100 -0.890 0.000 0.939 627 R CB 2.050 31.013 30.300 -2.228 0.000 1.179 627 R HN 0.891 nan 8.270 nan 0.000 0.472 628 A N 1.214 123.799 122.820 -0.392 0.000 2.292 628 A HA 0.308 4.510 4.320 -0.196 0.000 0.319 628 A C 0.205 177.881 177.584 0.153 0.000 1.206 628 A CA -0.521 51.484 52.037 -0.053 0.000 0.835 628 A CB 0.470 19.456 19.000 -0.023 0.000 1.164 628 A HN 0.623 nan 8.150 nan 0.000 0.505 629 D N 1.489 122.019 120.400 0.217 0.000 2.190 629 D HA -0.164 4.359 4.640 -0.196 0.000 0.200 629 D C 2.152 178.493 176.300 0.068 0.000 0.992 629 D CA 2.151 56.233 54.000 0.137 0.000 0.854 629 D CB -0.093 40.740 40.800 0.055 0.000 0.936 629 D HN 0.650 nan 8.370 nan 0.000 0.462 630 S N -0.118 115.673 115.700 0.153 0.000 2.555 630 S HA -0.077 4.276 4.470 -0.196 0.000 0.230 630 S C 0.519 175.280 174.600 0.269 0.000 0.978 630 S CA -0.181 58.162 58.200 0.237 0.000 0.934 630 S CB -0.093 63.199 63.200 0.155 0.000 0.766 630 S HN -0.049 nan 8.310 nan 0.000 0.533 631 D N 2.877 123.412 120.400 0.225 0.000 2.478 631 D HA 0.289 4.812 4.640 -0.196 0.000 0.234 631 D C 0.766 177.281 176.300 0.358 0.000 1.154 631 D CA 0.962 55.105 54.000 0.239 0.000 0.874 631 D CB 0.906 41.791 40.800 0.143 0.000 1.198 631 D HN 0.566 nan 8.370 nan 0.000 0.455 632 T N -1.791 112.895 114.554 0.220 0.000 2.905 632 T HA 0.715 4.948 4.350 -0.196 0.000 0.283 632 T C 0.558 175.191 174.700 -0.111 0.000 1.031 632 T CA -1.016 61.117 62.100 0.055 0.000 1.002 632 T CB 1.305 70.164 68.868 -0.015 0.000 1.200 632 T HN 0.243 nan 8.240 nan 0.000 0.560 633 G N 0.551 109.112 108.800 -0.397 0.000 2.569 633 G HA2 0.545 4.388 3.960 -0.196 0.000 0.249 633 G HA3 0.545 4.388 3.960 -0.196 0.000 0.249 633 G C -0.661 174.184 174.900 -0.092 0.000 1.216 633 G CA -0.633 44.204 45.100 -0.438 0.000 0.845 633 G HN 0.658 nan 8.290 nan 0.000 0.568 634 K N -0.178 120.229 120.400 0.012 0.000 2.385 634 K HA 0.479 4.681 4.320 -0.196 0.000 0.248 634 K C 0.021 176.774 176.600 0.256 0.000 0.955 634 K CA -0.747 55.633 56.287 0.155 0.000 0.816 634 K CB 2.109 34.768 32.500 0.264 0.000 1.250 634 K HN 0.495 nan 8.250 nan 0.000 0.434 635 V N -0.735 119.355 119.914 0.293 0.000 2.953 635 V HA 0.397 4.400 4.120 -0.196 0.000 0.304 635 V C 0.187 176.549 176.094 0.447 0.000 1.073 635 V CA -1.034 61.506 62.300 0.401 0.000 1.064 635 V CB 0.834 32.786 31.823 0.216 0.000 1.047 635 V HN 0.605 nan 8.190 nan 0.000 0.478 636 L N 4.458 125.830 121.223 0.249 0.000 2.397 636 L HA 0.453 4.676 4.340 -0.196 0.000 0.271 636 L C -1.543 175.333 176.870 0.010 0.000 1.148 636 L CA -1.137 53.667 54.840 -0.060 0.000 0.825 636 L CB 0.957 42.704 42.059 -0.520 0.000 1.117 636 L HN 0.530 nan 8.230 nan 0.000 0.456 637 P HA -0.092 nan 4.420 nan 0.000 0.216 637 P C -0.089 177.224 177.300 0.021 0.000 1.150 637 P CA 0.851 63.966 63.100 0.024 0.000 0.837 637 P CB 0.208 31.917 31.700 0.016 0.000 0.786 638 S N -1.341 114.367 115.700 0.014 0.000 2.554 638 S HA 0.508 4.860 4.470 -0.196 0.000 0.278 638 S C 1.080 175.704 174.600 0.040 0.000 1.242 638 S CA -0.295 57.936 58.200 0.052 0.000 1.051 638 S CB 0.632 63.901 63.200 0.113 0.000 0.986 638 S HN 0.041 nan 8.310 nan 0.000 0.502 639 A N 4.058 126.916 122.820 0.063 0.000 2.251 639 A HA 0.273 4.476 4.320 -0.196 0.000 0.209 639 A C 0.367 177.995 177.584 0.074 0.000 1.187 639 A CA -0.052 52.015 52.037 0.051 0.000 0.823 639 A CB -0.342 18.682 19.000 0.040 0.000 0.846 639 A HN 0.730 nan 8.150 nan 0.000 0.486 640 F N 1.374 121.291 119.950 -0.054 0.000 2.567 640 F HA 0.480 4.890 4.527 -0.196 0.000 0.352 640 F C -0.573 175.200 175.800 -0.047 0.000 1.229 640 F CA -0.516 57.423 58.000 -0.101 0.000 1.228 640 F CB 0.366 39.269 39.000 -0.161 0.000 1.568 640 F HN -0.111 nan 8.300 nan 0.000 0.634 641 V N 3.621 123.393 119.914 -0.236 0.000 2.739 641 V HA 0.760 4.763 4.120 -0.196 0.000 0.293 641 V C -0.191 175.843 176.094 -0.099 0.000 1.199 641 V CA -0.314 61.920 62.300 -0.110 0.000 0.931 641 V CB 1.043 32.865 31.823 -0.002 0.000 1.052 641 V HN 0.843 nan 8.190 nan 0.000 0.441 642 G N 2.914 111.667 108.800 -0.079 0.000 2.324 642 G HA2 0.536 4.379 3.960 -0.196 0.000 0.293 642 G HA3 0.536 4.379 3.960 -0.196 0.000 0.293 642 G C -1.161 173.747 174.900 0.014 0.000 1.297 642 G CA -0.107 45.015 45.100 0.038 0.000 0.853 642 G HN 0.565 nan 8.290 nan 0.000 0.535 643 T N 0.316 114.861 114.554 -0.016 0.000 2.881 643 T HA 0.622 4.854 4.350 -0.196 0.000 0.290 643 T C -0.433 174.127 174.700 -0.233 0.000 1.000 643 T CA -0.195 61.840 62.100 -0.108 0.000 0.978 643 T CB 1.570 70.360 68.868 -0.130 0.000 0.997 643 T HN 0.862 nan 8.240 nan 0.000 0.443 644 S N 3.028 118.653 115.700 -0.126 0.000 2.420 644 S HA 0.379 4.731 4.470 -0.196 0.000 0.313 644 S C -0.238 174.311 174.600 -0.086 0.000 1.079 644 S CA -0.749 57.376 58.200 -0.125 0.000 1.104 644 S CB 0.047 63.213 63.200 -0.057 0.000 0.969 644 S HN 0.572 nan 8.310 nan 0.000 0.471 645 K N 4.885 125.216 120.400 -0.116 0.000 2.211 645 K HA 0.268 4.470 4.320 -0.196 0.000 0.275 645 K C 0.534 177.116 176.600 -0.030 0.000 1.024 645 K CA -0.610 55.634 56.287 -0.072 0.000 0.887 645 K CB 1.155 33.589 32.500 -0.110 0.000 1.084 645 K HN 0.620 nan 8.250 nan 0.000 0.463 646 L N 3.925 125.153 121.223 0.009 0.000 2.130 646 L HA 0.085 4.308 4.340 -0.196 0.000 0.200 646 L C 0.074 176.953 176.870 0.015 0.000 1.075 646 L CA 1.785 56.641 54.840 0.027 0.000 0.768 646 L CB -0.066 42.032 42.059 0.065 0.000 0.933 646 L HN 0.942 nan 8.230 nan 0.000 0.451 647 D N -3.884 116.524 120.400 0.013 0.000 3.057 647 D HA 0.131 4.653 4.640 -0.196 0.000 0.328 647 D C -0.153 176.151 176.300 0.007 0.000 1.317 647 D CA -0.385 53.622 54.000 0.011 0.000 0.973 647 D CB -0.347 40.462 40.800 0.016 0.000 1.424 647 D HN -0.158 nan 8.370 nan 0.000 0.569 648 D N -1.001 119.406 120.400 0.011 0.000 2.336 648 D HA 0.275 4.797 4.640 -0.196 0.000 0.229 648 D C 0.634 176.927 176.300 -0.012 0.000 1.061 648 D CA 0.599 54.609 54.000 0.016 0.000 0.875 648 D CB 0.561 41.386 40.800 0.043 0.000 0.904 648 D HN 0.443 nan 8.370 nan 0.000 0.525 649 A N -0.034 122.778 122.820 -0.013 0.000 2.427 649 A HA 0.131 4.334 4.320 -0.196 0.000 0.225 649 A C 0.437 178.017 177.584 -0.006 0.000 1.257 649 A CA -0.182 51.838 52.037 -0.029 0.000 0.985 649 A CB 0.705 19.688 19.000 -0.029 0.000 1.136 649 A HN -0.036 nan 8.150 nan 0.000 0.538 650 N N 0.091 118.799 118.700 0.013 0.000 2.500 650 N HA 0.624 5.247 4.740 -0.196 0.000 0.291 650 N C -0.931 174.605 175.510 0.043 0.000 1.092 650 N CA 0.348 53.422 53.050 0.039 0.000 0.890 650 N CB 2.110 40.631 38.487 0.057 0.000 1.466 650 N HN 0.362 nan 8.380 nan 0.000 0.507 651 A N 0.987 123.837 122.820 0.050 0.000 2.588 651 A HA 0.872 5.074 4.320 -0.196 0.000 0.290 651 A C -0.993 176.618 177.584 0.044 0.000 1.136 651 A CA -0.470 51.587 52.037 0.034 0.000 0.681 651 A CB 1.750 20.746 19.000 -0.007 0.000 1.282 651 A HN 0.346 nan 8.150 nan 0.000 0.421 652 T N -0.021 114.536 114.554 0.004 0.000 2.909 652 T HA 0.791 5.024 4.350 -0.196 0.000 0.299 652 T C -0.512 174.133 174.700 -0.091 0.000 1.073 652 T CA 0.257 62.309 62.100 -0.079 0.000 0.999 652 T CB 1.754 70.596 68.868 -0.042 0.000 1.098 652 T HN 1.847 nan 8.240 nan 0.000 0.477 653 A N 1.276 124.028 122.820 -0.114 0.000 2.515 653 A HA 0.950 5.152 4.320 -0.196 0.000 0.296 653 A C -0.511 177.129 177.584 0.094 0.000 1.094 653 A CA -0.765 51.285 52.037 0.020 0.000 0.718 653 A CB 2.263 21.319 19.000 0.093 0.000 1.307 653 A HN 0.746 nan 8.150 nan 0.000 0.408 654 T N 0.388 115.007 114.554 0.107 0.000 2.864 654 T HA 0.708 4.941 4.350 -0.196 0.000 0.299 654 T C -1.400 173.471 174.700 0.284 0.000 1.166 654 T CA -0.398 61.813 62.100 0.186 0.000 1.007 654 T CB 1.203 70.071 68.868 -0.000 0.000 1.219 654 T HN 0.910 nan 8.240 nan 0.000 0.506 655 M N 3.428 123.274 119.600 0.410 0.000 2.206 655 M HA 0.357 4.720 4.480 -0.196 0.000 0.272 655 M C -1.746 174.838 176.300 0.473 0.000 1.012 655 M CA -0.627 54.922 55.300 0.416 0.000 0.986 655 M CB 1.538 34.488 32.600 0.583 0.000 1.740 655 M HN 0.589 nan 8.290 nan 0.000 0.472 656 D N 4.728 125.402 120.400 0.456 0.000 2.483 656 D HA 0.148 4.670 4.640 -0.196 0.000 0.220 656 D C -1.419 175.123 176.300 0.403 0.000 1.173 656 D CA 0.120 54.444 54.000 0.541 0.000 0.964 656 D CB -0.048 41.087 40.800 0.559 0.000 1.046 656 D HN 0.392 nan 8.370 nan 0.000 0.517 657 F N 2.702 122.820 119.950 0.280 0.000 2.420 657 F HA 0.430 4.839 4.527 -0.196 0.000 0.352 657 F C -0.294 175.617 175.800 0.185 0.000 1.108 657 F CA -0.300 57.835 58.000 0.224 0.000 1.162 657 F CB 1.191 40.352 39.000 0.268 0.000 1.118 657 F HN 0.011 nan 8.300 nan 0.000 0.510 658 T N 6.748 120.815 114.554 -0.813 0.000 2.841 658 T HA 0.246 4.478 4.350 -0.196 0.000 0.285 658 T C -0.381 173.732 174.700 -0.978 0.000 0.991 658 T CA -0.938 60.710 62.100 -0.754 0.000 0.966 658 T CB 0.938 69.647 68.868 -0.264 0.000 0.962 658 T HN 0.704 nan 8.240 nan 0.000 0.438 659 N N 2.287 120.582 118.700 -0.675 0.000 2.347 659 N HA 0.077 4.700 4.740 -0.196 0.000 0.253 659 N C 1.566 177.117 175.510 0.067 0.000 1.274 659 N CA -0.934 52.053 53.050 -0.106 0.000 0.941 659 N CB 0.521 39.146 38.487 0.230 0.000 1.200 659 N HN 0.859 nan 8.380 nan 0.000 0.514 660 W N 0.312 121.740 121.300 0.214 0.000 2.465 660 W HA -0.039 4.504 4.660 -0.196 0.000 0.268 660 W C -0.034 176.563 176.519 0.130 0.000 1.242 660 W CA 0.855 58.329 57.345 0.215 0.000 1.248 660 W CB -1.031 28.586 29.460 0.262 0.000 1.118 660 W HN 0.604 nan 8.180 nan 0.000 0.587 661 N N 0.622 118.747 118.700 -0.958 0.000 2.282 661 N HA 0.029 4.651 4.740 -0.196 0.000 0.240 661 N C 0.021 175.259 175.510 -0.454 0.000 1.182 661 N CA -0.112 52.401 53.050 -0.895 0.000 0.874 661 N CB -0.593 36.965 38.487 -1.547 0.000 1.126 661 N HN 0.022 nan 8.380 nan 0.000 0.516 662 Q N -0.584 119.039 119.800 -0.295 0.000 2.434 662 Q HA -0.176 4.046 4.340 -0.196 0.000 0.299 662 Q C 0.276 176.176 176.000 -0.167 0.000 1.286 662 Q CA 1.506 57.198 55.803 -0.185 0.000 0.872 662 Q CB -2.646 26.016 28.738 -0.127 0.000 1.193 662 Q HN 0.734 nan 8.270 nan 0.000 0.466 663 T N -3.853 110.595 114.554 -0.177 0.000 3.010 663 T HA 0.440 4.673 4.350 -0.196 0.000 0.257 663 T C 0.370 175.044 174.700 -0.044 0.000 1.020 663 T CA 0.092 62.130 62.100 -0.103 0.000 0.938 663 T CB 0.549 69.356 68.868 -0.103 0.000 1.049 663 T HN 0.337 nan 8.240 nan 0.000 0.522 664 L N 2.066 123.269 121.223 -0.034 0.000 2.431 664 L HA 0.749 4.972 4.340 -0.196 0.000 0.266 664 L C -0.847 176.027 176.870 0.006 0.000 0.978 664 L CA -0.370 54.494 54.840 0.039 0.000 0.822 664 L CB 2.318 44.465 42.059 0.147 0.000 1.310 664 L HN 0.327 nan 8.230 nan 0.000 0.409 665 T N 1.372 115.948 114.554 0.036 0.000 2.888 665 T HA 0.978 5.211 4.350 -0.196 0.000 0.288 665 T C -0.735 174.052 174.700 0.144 0.000 1.063 665 T CA -0.338 61.791 62.100 0.048 0.000 1.010 665 T CB 2.036 70.887 68.868 -0.028 0.000 1.214 665 T HN 1.190 nan 8.240 nan 0.000 0.533 666 A N 1.074 124.019 122.820 0.209 0.000 2.560 666 A HA 0.527 4.729 4.320 -0.196 0.000 0.300 666 A C -1.370 176.356 177.584 0.236 0.000 1.062 666 A CA -0.881 51.246 52.037 0.149 0.000 0.767 666 A CB 0.476 19.636 19.000 0.266 0.000 1.288 666 A HN 0.925 nan 8.150 nan 0.000 0.396 667 H N 2.257 121.300 119.070 -0.044 0.000 3.157 667 H HA 0.263 4.702 4.556 -0.196 0.000 0.260 667 H C -0.139 175.142 175.328 -0.078 0.000 1.232 667 H CA 0.532 56.529 56.048 -0.084 0.000 1.488 667 H CB 0.053 29.587 29.762 -0.380 0.000 1.548 667 H HN 0.454 nan 8.280 nan 0.000 0.487 668 K N 2.122 122.591 120.400 0.115 0.000 2.213 668 K HA 0.541 4.744 4.320 -0.196 0.000 0.270 668 K C -0.232 176.074 176.600 -0.490 0.000 1.002 668 K CA -0.526 55.620 56.287 -0.235 0.000 0.868 668 K CB 1.621 34.006 32.500 -0.191 0.000 1.093 668 K HN 0.318 nan 8.250 nan 0.000 0.454 669 S N 1.782 117.051 115.700 -0.717 0.000 2.549 669 S HA 0.542 4.894 4.470 -0.196 0.000 0.280 669 S C -1.429 172.733 174.600 -0.730 0.000 1.109 669 S CA -0.943 56.955 58.200 -0.503 0.000 0.905 669 S CB 1.210 64.337 63.200 -0.123 0.000 1.081 669 S HN 0.458 nan 8.310 nan 0.000 0.477 670 W N 1.846 122.913 121.300 -0.389 0.000 2.998 670 W HA 0.488 5.031 4.660 -0.195 0.000 0.335 670 W C -2.021 174.167 176.519 -0.552 0.000 1.110 670 W CA -0.744 56.400 57.345 -0.335 0.000 1.230 670 W CB 1.367 30.655 29.460 -0.287 0.000 1.405 670 W HN 0.520 nan 8.180 nan 0.000 0.493 671 F N 2.468 122.472 119.950 0.090 0.000 2.430 671 F HA 0.414 4.823 4.527 -0.196 0.000 0.362 671 F C 0.163 175.972 175.800 0.016 0.000 1.103 671 F CA -0.951 57.095 58.000 0.077 0.000 1.045 671 F CB 0.994 40.045 39.000 0.084 0.000 1.276 671 F HN -0.042 nan 8.300 nan 0.000 0.444 672 M N 4.861 124.526 119.600 0.109 0.000 2.094 672 M HA 0.342 4.704 4.480 -0.196 0.000 0.348 672 M C -0.390 175.944 176.300 0.057 0.000 1.267 672 M CA 0.127 55.435 55.300 0.013 0.000 1.125 672 M CB 0.584 33.179 32.600 -0.009 0.000 1.527 672 M HN 0.526 nan 8.290 nan 0.000 0.447 673 L N 4.299 125.552 121.223 0.050 0.000 2.999 673 L HA 0.313 4.536 4.340 -0.196 0.000 0.263 673 L C 0.811 177.696 176.870 0.025 0.000 1.320 673 L CA -0.076 54.792 54.840 0.047 0.000 0.913 673 L CB -0.160 41.932 42.059 0.055 0.000 1.296 673 L HN 0.873 nan 8.230 nan 0.000 0.546 674 K N 1.013 121.423 120.400 0.018 0.000 9.219 674 K HA -0.274 3.929 4.320 -0.196 0.000 0.503 674 K C 0.359 176.990 176.600 0.051 0.000 0.368 674 K CA 2.178 58.466 56.287 0.001 0.000 1.959 674 K CB -0.986 31.507 32.500 -0.013 0.000 0.691 674 K HN 0.595 nan 8.250 nan 0.000 1.032 675 D N 1.240 121.700 120.400 0.100 0.000 2.535 675 D HA 0.204 4.727 4.640 -0.196 0.000 0.229 675 D C -0.211 176.187 176.300 0.164 0.000 1.238 675 D CA 0.123 54.256 54.000 0.221 0.000 0.824 675 D CB 0.335 41.208 40.800 0.122 0.000 1.045 675 D HN 0.551 nan 8.370 nan 0.000 0.500 676 K N -0.600 119.861 120.400 0.102 0.000 2.625 676 K HA 0.537 4.740 4.320 -0.196 0.000 0.284 676 K C -1.922 174.663 176.600 -0.024 0.000 0.984 676 K CA -0.900 55.385 56.287 -0.004 0.000 0.865 676 K CB 0.856 33.367 32.500 0.019 0.000 1.468 676 K HN -0.109 nan 8.250 nan 0.000 0.407 677 I N 1.202 121.732 120.570 -0.067 0.000 2.498 677 I HA 0.467 4.520 4.170 -0.196 0.000 0.290 677 I C -0.662 175.532 176.117 0.128 0.000 1.032 677 I CA -0.558 60.682 61.300 -0.101 0.000 1.073 677 I CB 2.092 39.774 38.000 -0.530 0.000 1.251 677 I HN 0.834 nan 8.210 nan 0.000 0.426 678 A N 5.740 128.689 122.820 0.215 0.000 2.290 678 A HA 0.791 4.993 4.320 -0.196 0.000 0.310 678 A C -1.116 176.636 177.584 0.282 0.000 1.202 678 A CA -0.223 52.022 52.037 0.347 0.000 0.837 678 A CB 0.132 19.356 19.000 0.374 0.000 1.139 678 A HN 0.458 nan 8.150 nan 0.000 0.509 679 F N 2.558 122.458 119.950 -0.084 0.000 2.361 679 F HA 0.481 4.890 4.527 -0.196 0.000 0.364 679 F C 0.030 175.795 175.800 -0.058 0.000 1.117 679 F CA -0.373 57.491 58.000 -0.227 0.000 1.071 679 F CB 1.147 39.719 39.000 -0.712 0.000 1.188 679 F HN 0.321 nan 8.300 nan 0.000 0.464 680 L N 2.730 124.021 121.223 0.113 0.000 2.346 680 L HA 0.902 5.125 4.340 -0.196 0.000 0.274 680 L C 0.149 176.697 176.870 -0.536 0.000 1.007 680 L CA -0.873 53.922 54.840 -0.076 0.000 0.818 680 L CB 2.225 44.304 42.059 0.033 0.000 1.284 680 L HN 0.712 nan 8.230 nan 0.000 0.424 681 G N 0.668 108.807 108.800 -1.103 0.000 2.741 681 G HA2 0.592 4.434 3.960 -0.196 0.000 0.293 681 G HA3 0.592 4.434 3.960 -0.196 0.000 0.293 681 G C -1.077 173.438 174.900 -0.641 0.000 1.457 681 G CA -0.239 44.164 45.100 -1.162 0.000 1.098 681 G HN 0.611 nan 8.290 nan 0.000 0.536 682 S N 0.800 116.296 115.700 -0.339 0.000 2.704 682 S HA 0.642 4.995 4.470 -0.196 0.000 0.296 682 S C 0.442 174.875 174.600 -0.278 0.000 1.138 682 S CA -0.340 57.716 58.200 -0.240 0.000 0.875 682 S CB 1.767 64.879 63.200 -0.147 0.000 1.151 682 S HN 1.230 nan 8.310 nan 0.000 0.500 683 N N -0.474 118.066 118.700 -0.267 0.000 2.741 683 N HA -0.144 4.478 4.740 -0.196 0.000 0.250 683 N C -0.980 174.373 175.510 -0.262 0.000 1.115 683 N CA 0.312 53.162 53.050 -0.334 0.000 0.724 683 N CB -1.080 36.996 38.487 -0.684 0.000 1.090 683 N HN 0.719 nan 8.380 nan 0.000 0.558 684 I N 1.742 122.196 120.570 -0.193 0.000 2.452 684 I HA 0.029 4.082 4.170 -0.196 0.000 0.287 684 I C 0.456 176.527 176.117 -0.078 0.000 1.079 684 I CA 0.673 61.893 61.300 -0.134 0.000 1.387 684 I CB 0.907 38.766 38.000 -0.234 0.000 1.404 684 I HN 0.127 nan 8.210 nan 0.000 0.522 685 Q N 5.145 124.922 119.800 -0.038 0.000 2.359 685 Q HA 0.444 4.666 4.340 -0.196 0.000 0.274 685 Q C -1.039 174.968 176.000 0.011 0.000 1.074 685 Q CA -0.992 54.798 55.803 -0.022 0.000 0.810 685 Q CB 2.770 31.480 28.738 -0.048 0.000 1.342 685 Q HN 0.499 nan 8.270 nan 0.000 0.427 686 N N -0.017 118.694 118.700 0.018 0.000 2.480 686 N HA 0.231 4.853 4.740 -0.196 0.000 0.289 686 N C -0.465 175.050 175.510 0.009 0.000 1.073 686 N CA -0.322 52.745 53.050 0.028 0.000 0.885 686 N CB 1.671 40.192 38.487 0.057 0.000 1.421 686 N HN 0.621 nan 8.380 nan 0.000 0.503 687 T N -0.895 113.655 114.554 -0.006 0.000 3.040 687 T HA 0.148 4.380 4.350 -0.196 0.000 0.250 687 T C 0.933 175.625 174.700 -0.013 0.000 1.058 687 T CA 0.082 62.174 62.100 -0.014 0.000 0.988 687 T CB -0.350 68.502 68.868 -0.026 0.000 0.993 687 T HN 0.458 nan 8.240 nan 0.000 0.519 688 S N 2.144 117.838 115.700 -0.009 0.000 2.596 688 S HA 0.182 4.534 4.470 -0.196 0.000 0.260 688 S C 1.405 176.010 174.600 0.008 0.000 1.336 688 S CA 0.190 58.388 58.200 -0.003 0.000 0.993 688 S CB 0.710 63.915 63.200 0.009 0.000 0.923 688 S HN 0.457 nan 8.310 nan 0.000 0.567 689 T N -1.963 112.597 114.554 0.010 0.000 3.129 689 T HA 0.164 4.396 4.350 -0.196 0.000 0.251 689 T C 0.049 174.760 174.700 0.017 0.000 1.117 689 T CA -0.158 61.949 62.100 0.011 0.000 1.034 689 T CB -0.534 68.338 68.868 0.007 0.000 0.968 689 T HN 0.600 nan 8.240 nan 0.000 0.526 690 D N 3.153 123.570 120.400 0.028 0.000 2.329 690 D HA 0.250 4.772 4.640 -0.196 0.000 0.246 690 D C 0.442 176.765 176.300 0.037 0.000 1.111 690 D CA -0.019 54.002 54.000 0.035 0.000 0.941 690 D CB 1.438 42.273 40.800 0.058 0.000 1.169 690 D HN 0.384 nan 8.370 nan 0.000 0.441 691 T N -1.967 112.605 114.554 0.029 0.000 2.910 691 T HA 0.558 4.791 4.350 -0.196 0.000 0.293 691 T C -0.120 174.613 174.700 0.054 0.000 1.015 691 T CA -0.906 61.212 62.100 0.031 0.000 1.094 691 T CB 1.414 70.286 68.868 0.006 0.000 0.968 691 T HN 0.404 nan 8.240 nan 0.000 0.521 692 A N 1.268 124.132 122.820 0.073 0.000 2.355 692 A HA 0.959 5.162 4.320 -0.196 0.000 0.324 692 A C -0.176 177.454 177.584 0.076 0.000 1.117 692 A CA -0.665 51.443 52.037 0.120 0.000 0.785 692 A CB 1.221 20.334 19.000 0.188 0.000 1.254 692 A HN 1.712 nan 8.150 nan 0.000 0.453 693 A N 0.485 123.358 122.820 0.087 0.000 2.608 693 A HA 0.762 4.964 4.320 -0.196 0.000 0.292 693 A C -0.554 177.074 177.584 0.074 0.000 1.066 693 A CA -0.395 51.598 52.037 -0.073 0.000 0.676 693 A CB 0.927 19.868 19.000 -0.098 0.000 1.277 693 A HN 0.881 nan 8.150 nan 0.000 0.413 694 T N 1.820 116.390 114.554 0.026 0.000 2.794 694 T HA 0.545 4.778 4.350 -0.196 0.000 0.280 694 T C -0.200 174.490 174.700 -0.015 0.000 0.987 694 T CA 0.046 62.206 62.100 0.101 0.000 0.993 694 T CB 1.015 69.995 68.868 0.187 0.000 0.939 694 T HN 0.577 nan 8.240 nan 0.000 0.449 695 T N 4.672 119.232 114.554 0.010 0.000 2.739 695 T HA 0.260 4.492 4.350 -0.196 0.000 0.298 695 T C 1.700 176.404 174.700 0.007 0.000 0.929 695 T CA -0.317 61.776 62.100 -0.010 0.000 1.014 695 T CB 0.061 68.935 68.868 0.010 0.000 0.914 695 T HN 0.448 nan 8.240 nan 0.000 0.509 696 I N 1.482 121.989 120.570 -0.105 0.000 2.202 696 I HA -0.022 4.030 4.170 -0.196 0.000 0.242 696 I C 1.034 177.145 176.117 -0.011 0.000 1.091 696 I CA 1.241 62.408 61.300 -0.221 0.000 1.368 696 I CB 0.244 37.924 38.000 -0.534 0.000 1.058 696 I HN 0.497 nan 8.210 nan 0.000 0.410 697 D N -0.820 119.545 120.400 -0.059 0.000 2.655 697 D HA 0.238 4.760 4.640 -0.196 0.000 0.229 697 D C -1.314 174.979 176.300 -0.012 0.000 1.229 697 D CA -0.417 53.612 54.000 0.048 0.000 0.807 697 D CB 1.787 42.647 40.800 0.101 0.000 1.514 697 D HN -0.060 nan 8.370 nan 0.000 0.444 698 Q N 2.712 122.517 119.800 0.008 0.000 3.021 698 Q HA 0.322 4.545 4.340 -0.196 0.000 0.234 698 Q C -1.301 174.827 176.000 0.213 0.000 0.930 698 Q CA -0.683 55.153 55.803 0.055 0.000 0.714 698 Q CB 0.990 29.700 28.738 -0.047 0.000 1.325 698 Q HN 0.191 nan 8.270 nan 0.000 0.473 699 R N 2.283 122.916 120.500 0.223 0.000 2.229 699 R HA 0.256 4.479 4.340 -0.196 0.000 0.328 699 R C -0.744 175.662 176.300 0.176 0.000 1.009 699 R CA -0.268 56.006 56.100 0.289 0.000 0.864 699 R CB 0.926 31.301 30.300 0.125 0.000 1.085 699 R HN 0.297 nan 8.270 nan 0.000 0.453 700 K N 4.857 125.232 120.400 -0.041 0.000 2.379 700 K HA 0.144 4.347 4.320 -0.196 0.000 0.284 700 K C -0.626 175.770 176.600 -0.340 0.000 1.044 700 K CA -0.128 55.678 56.287 -0.801 0.000 0.974 700 K CB 0.433 32.269 32.500 -1.106 0.000 0.962 700 K HN 0.508 nan 8.250 nan 0.000 0.474 701 L N 3.063 124.083 121.223 -0.338 0.000 2.387 701 L HA 0.399 4.622 4.340 -0.196 0.000 0.266 701 L C -0.074 176.682 176.870 -0.190 0.000 1.059 701 L CA -0.818 53.931 54.840 -0.150 0.000 0.801 701 L CB 1.383 43.393 42.059 -0.082 0.000 1.223 701 L HN 0.650 nan 8.230 nan 0.000 0.456 702 E N -0.664 119.442 120.200 -0.157 0.000 2.176 702 E HA 0.171 4.403 4.350 -0.196 0.000 0.267 702 E C 0.275 176.805 176.600 -0.116 0.000 0.893 702 E CA -0.311 56.009 56.400 -0.134 0.000 0.761 702 E CB 1.864 31.488 29.700 -0.126 0.000 1.133 702 E HN 0.655 nan 8.360 nan 0.000 0.409 703 S N 1.155 116.804 115.700 -0.086 0.000 2.419 703 S HA -0.231 4.121 4.470 -0.196 0.000 0.233 703 S C 1.938 176.500 174.600 -0.064 0.000 1.016 703 S CA 1.355 59.515 58.200 -0.066 0.000 0.974 703 S CB -0.264 62.909 63.200 -0.046 0.000 0.786 703 S HN 0.531 nan 8.310 nan 0.000 0.492 704 S N 1.369 117.031 115.700 -0.063 0.000 2.453 704 S HA 0.048 4.401 4.470 -0.196 0.000 0.231 704 S C 0.776 175.329 174.600 -0.079 0.000 1.005 704 S CA 0.350 58.517 58.200 -0.055 0.000 0.949 704 S CB -0.399 62.778 63.200 -0.038 0.000 0.774 704 S HN 0.460 nan 8.310 nan 0.000 0.510 705 N N 2.648 121.273 118.700 -0.124 0.000 2.790 705 N HA 0.355 4.978 4.740 -0.196 0.000 0.256 705 N C -3.123 172.230 175.510 -0.263 0.000 1.409 705 N CA -1.212 51.727 53.050 -0.185 0.000 0.799 705 N CB 1.635 39.989 38.487 -0.222 0.000 1.170 705 N HN 0.319 nan 8.380 nan 0.000 0.507 706 P HA 0.062 nan 4.420 nan 0.000 0.268 706 P C -0.731 176.482 177.300 -0.145 0.000 1.204 706 P CA 0.149 63.171 63.100 -0.129 0.000 0.768 706 P CB 0.566 32.231 31.700 -0.058 0.000 0.842 707 Y N 1.505 121.774 120.300 -0.051 0.000 2.316 707 Y HA 0.225 4.658 4.550 -0.196 0.000 0.331 707 Y C 1.386 177.251 175.900 -0.059 0.000 1.083 707 Y CA 0.017 58.081 58.100 -0.060 0.000 1.206 707 Y CB 0.998 39.409 38.460 -0.082 0.000 1.195 707 Y HN 0.233 nan 8.280 nan 0.000 0.497 708 K N 3.039 123.518 120.400 0.131 0.000 2.258 708 K HA 0.456 4.658 4.320 -0.196 0.000 0.284 708 K C -1.258 175.312 176.600 -0.050 0.000 1.051 708 K CA -0.395 55.891 56.287 -0.003 0.000 0.923 708 K CB 0.725 33.220 32.500 -0.009 0.000 1.046 708 K HN 0.447 nan 8.250 nan 0.000 0.474 709 V N 5.537 125.349 119.914 -0.171 0.000 2.427 709 V HA 0.278 4.281 4.120 -0.196 0.000 0.286 709 V C -0.949 174.997 176.094 -0.247 0.000 1.034 709 V CA -0.684 61.530 62.300 -0.144 0.000 0.893 709 V CB 0.691 32.432 31.823 -0.136 0.000 0.982 709 V HN 0.580 nan 8.190 nan 0.000 0.452 710 Y N 2.913 123.229 120.300 0.026 0.000 2.377 710 Y HA 0.682 5.115 4.550 -0.196 0.000 0.339 710 Y C -0.028 175.881 175.900 0.015 0.000 1.011 710 Y CA -1.039 57.096 58.100 0.059 0.000 1.093 710 Y CB 1.958 40.509 38.460 0.151 0.000 1.201 710 Y HN 0.322 nan 8.280 nan 0.000 0.455 711 V N 3.398 123.382 119.914 0.117 0.000 2.444 711 V HA 0.259 4.262 4.120 -0.196 0.000 0.294 711 V C -0.331 175.841 176.094 0.130 0.000 1.022 711 V CA -1.314 61.011 62.300 0.043 0.000 0.850 711 V CB 1.346 33.061 31.823 -0.180 0.000 0.992 711 V HN 0.931 nan 8.190 nan 0.000 0.426 712 N N 3.300 122.098 118.700 0.163 0.000 2.708 712 N HA -0.223 4.400 4.740 -0.196 0.000 0.249 712 N C 0.502 176.106 175.510 0.157 0.000 1.097 712 N CA 1.469 54.613 53.050 0.157 0.000 0.710 712 N CB -0.944 37.613 38.487 0.117 0.000 1.032 712 N HN 1.057 nan 8.380 nan 0.000 0.551 713 D N -2.190 118.334 120.400 0.207 0.000 3.070 713 D HA -0.177 4.346 4.640 -0.196 0.000 0.210 713 D C -0.816 175.650 176.300 0.276 0.000 1.103 713 D CA 1.430 55.538 54.000 0.180 0.000 0.980 713 D CB -0.720 40.119 40.800 0.064 0.000 1.100 713 D HN 0.653 nan 8.370 nan 0.000 0.423 714 K N 0.647 121.213 120.400 0.276 0.000 2.324 714 K HA 0.391 4.593 4.320 -0.196 0.000 0.253 714 K C -0.170 176.513 176.600 0.138 0.000 0.932 714 K CA -0.827 55.590 56.287 0.215 0.000 0.799 714 K CB 1.884 34.460 32.500 0.126 0.000 1.154 714 K HN 0.113 nan 8.250 nan 0.000 0.425 715 E N 1.710 121.918 120.200 0.013 0.000 2.502 715 E HA 0.079 4.312 4.350 -0.196 0.000 0.261 715 E C -1.014 175.534 176.600 -0.087 0.000 0.974 715 E CA -0.084 56.194 56.400 -0.203 0.000 0.936 715 E CB 0.567 30.143 29.700 -0.207 0.000 0.926 715 E HN 0.597 nan 8.360 nan 0.000 0.459 716 A N 3.355 126.104 122.820 -0.119 0.000 2.356 716 A HA 0.591 4.793 4.320 -0.196 0.000 0.323 716 A C -1.040 176.522 177.584 -0.036 0.000 1.119 716 A CA -0.758 51.262 52.037 -0.029 0.000 0.790 716 A CB 1.828 20.771 19.000 -0.096 0.000 1.273 716 A HN 0.568 nan 8.150 nan 0.000 0.452 717 S N 1.353 117.067 115.700 0.024 0.000 2.498 717 S HA 0.616 4.969 4.470 -0.196 0.000 0.317 717 S C -0.540 174.085 174.600 0.042 0.000 1.090 717 S CA -0.515 57.691 58.200 0.010 0.000 1.089 717 S CB 0.718 63.920 63.200 0.005 0.000 0.997 717 S HN 0.559 nan 8.310 nan 0.000 0.470 718 L N 3.148 124.385 121.223 0.024 0.000 2.360 718 L HA 0.687 4.910 4.340 -0.196 0.000 0.271 718 L C 0.692 177.576 176.870 0.023 0.000 1.057 718 L CA -0.406 54.456 54.840 0.038 0.000 0.803 718 L CB 1.733 43.800 42.059 0.013 0.000 1.207 718 L HN 0.851 nan 8.230 nan 0.000 0.445 719 T N -3.463 111.105 114.554 0.024 0.000 2.804 719 T HA 0.246 4.479 4.350 -0.196 0.000 0.290 719 T C 0.592 175.297 174.700 0.008 0.000 1.099 719 T CA -0.791 61.315 62.100 0.011 0.000 1.011 719 T CB 1.930 70.800 68.868 0.004 0.000 1.291 719 T HN 0.535 nan 8.240 nan 0.000 0.523 720 E N 0.006 120.207 120.200 0.002 0.000 2.058 720 E HA -0.139 4.093 4.350 -0.196 0.000 0.194 720 E C 0.716 177.313 176.600 -0.006 0.000 0.997 720 E CA 1.179 57.579 56.400 -0.001 0.000 0.801 720 E CB 0.050 29.748 29.700 -0.004 0.000 0.746 720 E HN 0.590 nan 8.360 nan 0.000 0.450 721 Q N 1.273 121.067 119.800 -0.010 0.000 2.304 721 Q HA 0.004 4.227 4.340 -0.196 0.000 0.260 721 Q C -0.786 175.204 176.000 -0.017 0.000 0.965 721 Q CA 0.101 55.893 55.803 -0.018 0.000 0.898 721 Q CB 0.886 29.610 28.738 -0.025 0.000 1.196 721 Q HN -0.021 nan 8.270 nan 0.000 0.402 722 E N 2.990 123.176 120.200 -0.022 0.000 2.493 722 E HA -0.057 4.175 4.350 -0.196 0.000 0.255 722 E C -0.956 175.618 176.600 -0.044 0.000 0.999 722 E CA 0.434 56.821 56.400 -0.022 0.000 0.934 722 E CB 0.463 30.143 29.700 -0.033 0.000 0.940 722 E HN 0.335 nan 8.360 nan 0.000 0.473 723 K N 3.539 123.916 120.400 -0.038 0.000 2.164 723 K HA 0.278 4.481 4.320 -0.196 0.000 0.258 723 K C -1.090 175.346 176.600 -0.272 0.000 0.951 723 K CA -0.938 55.243 56.287 -0.176 0.000 0.844 723 K CB 1.238 33.582 32.500 -0.260 0.000 1.099 723 K HN 0.431 nan 8.250 nan 0.000 0.435 724 D N 1.243 121.414 120.400 -0.381 0.000 2.210 724 D HA 0.195 4.717 4.640 -0.196 0.000 0.249 724 D C -0.897 175.044 176.300 -0.598 0.000 1.062 724 D CA 0.047 53.859 54.000 -0.314 0.000 0.891 724 D CB 0.679 41.365 40.800 -0.190 0.000 1.186 724 D HN 0.346 nan 8.370 nan 0.000 0.432 725 Y N 0.918 121.164 120.300 -0.090 0.000 2.705 725 Y HA 0.279 4.711 4.550 -0.196 0.000 0.355 725 Y C -2.267 173.566 175.900 -0.111 0.000 1.039 725 Y CA -1.978 56.067 58.100 -0.090 0.000 1.233 725 Y CB 1.481 39.882 38.460 -0.098 0.000 1.103 725 Y HN 0.124 nan 8.280 nan 0.000 0.624 726 P HA 0.121 nan 4.420 nan 0.000 0.274 726 P C -0.166 177.125 177.300 -0.017 0.000 1.246 726 P CA -0.106 62.975 63.100 -0.032 0.000 0.795 726 P CB 0.687 32.364 31.700 -0.038 0.000 1.006 727 E N -2.194 117.987 120.200 -0.032 0.000 2.360 727 E HA -0.157 4.076 4.350 -0.196 0.000 0.238 727 E C -0.686 175.904 176.600 -0.018 0.000 1.186 727 E CA 0.920 57.310 56.400 -0.017 0.000 0.719 727 E CB -2.803 26.901 29.700 0.006 0.000 1.236 727 E HN 0.405 nan 8.360 nan 0.000 0.386 728 T N 0.839 115.341 114.554 -0.087 0.000 2.752 728 T HA 0.193 4.425 4.350 -0.196 0.000 0.295 728 T C 1.351 176.010 174.700 -0.068 0.000 0.923 728 T CA 0.037 62.065 62.100 -0.121 0.000 1.112 728 T CB 1.275 69.952 68.868 -0.319 0.000 0.884 728 T HN 0.169 nan 8.240 nan 0.000 0.525 729 Q N 2.407 122.271 119.800 0.107 0.000 2.339 729 Q HA 0.136 4.359 4.340 -0.196 0.000 0.205 729 Q C 0.589 176.868 176.000 0.465 0.000 0.925 729 Q CA 0.172 56.124 55.803 0.249 0.000 0.898 729 Q CB 0.532 29.410 28.738 0.234 0.000 1.013 729 Q HN 0.772 nan 8.270 nan 0.000 0.504 730 S N -1.992 113.975 115.700 0.445 0.000 2.537 730 S HA 0.683 5.036 4.470 -0.196 0.000 0.271 730 S C -1.266 173.604 174.600 0.450 0.000 1.148 730 S CA -0.950 57.584 58.200 0.556 0.000 0.868 730 S CB 1.701 65.214 63.200 0.521 0.000 1.115 730 S HN -0.096 nan 8.310 nan 0.000 0.461 731 V N 2.627 122.822 119.914 0.468 0.000 2.735 731 V HA 0.795 4.797 4.120 -0.196 0.000 0.310 731 V C -1.495 174.747 176.094 0.246 0.000 1.061 731 V CA -0.630 61.838 62.300 0.280 0.000 0.913 731 V CB 1.792 33.691 31.823 0.126 0.000 1.005 731 V HN 0.927 nan 8.190 nan 0.000 0.428 732 F N 4.921 124.870 119.950 -0.001 0.000 2.585 732 F HA 0.645 5.055 4.527 -0.196 0.000 0.319 732 F C -0.966 174.811 175.800 -0.039 0.000 1.165 732 F CA -0.738 57.133 58.000 -0.215 0.000 0.949 732 F CB 1.489 40.287 39.000 -0.338 0.000 1.218 732 F HN 0.310 nan 8.300 nan 0.000 0.453 733 L N 5.668 126.413 121.223 -0.797 0.000 2.259 733 L HA 0.441 4.663 4.340 -0.196 0.000 0.288 733 L C -0.228 176.214 176.870 -0.712 0.000 1.051 733 L CA -0.385 54.040 54.840 -0.692 0.000 0.824 733 L CB 1.152 42.597 42.059 -1.023 0.000 1.206 733 L HN 0.605 nan 8.230 nan 0.000 0.429 734 E N 2.901 123.020 120.200 -0.135 0.000 2.133 734 E HA 0.377 4.610 4.350 -0.196 0.000 0.274 734 E C -0.926 175.822 176.600 0.247 0.000 0.930 734 E CA -0.265 56.203 56.400 0.113 0.000 0.770 734 E CB 1.749 31.742 29.700 0.487 0.000 1.104 734 E HN 0.541 nan 8.360 nan 0.000 0.403 735 S N 2.057 117.854 115.700 0.160 0.000 2.704 735 S HA 0.210 4.562 4.470 -0.196 0.000 0.305 735 S C 0.993 175.619 174.600 0.043 0.000 1.107 735 S CA -0.029 58.179 58.200 0.013 0.000 0.993 735 S CB 1.404 64.553 63.200 -0.084 0.000 1.110 735 S HN 0.604 nan 8.310 nan 0.000 0.534 736 S N 0.723 116.423 115.700 -0.000 0.000 2.481 736 S HA 0.038 4.391 4.470 -0.196 0.000 0.231 736 S C 0.185 174.800 174.600 0.025 0.000 0.996 736 S CA 0.458 58.671 58.200 0.020 0.000 0.942 736 S CB -0.314 62.887 63.200 0.003 0.000 0.768 736 S HN 0.695 nan 8.310 nan 0.000 0.520 737 D N 0.851 121.258 120.400 0.013 0.000 2.441 737 D HA 0.463 4.985 4.640 -0.196 0.000 0.231 737 D C 0.639 176.969 176.300 0.049 0.000 1.073 737 D CA -0.315 53.701 54.000 0.027 0.000 0.850 737 D CB 1.548 42.355 40.800 0.012 0.000 1.062 737 D HN -0.020 nan 8.370 nan 0.000 0.524 738 S N 2.836 118.577 115.700 0.067 0.000 2.400 738 S HA -0.181 4.171 4.470 -0.196 0.000 0.234 738 S C 1.468 176.117 174.600 0.080 0.000 1.049 738 S CA 1.143 59.394 58.200 0.084 0.000 1.039 738 S CB 0.028 63.276 63.200 0.081 0.000 0.856 738 S HN 0.464 nan 8.310 nan 0.000 0.465 739 K N 0.941 121.388 120.400 0.079 0.000 2.589 739 K HA 0.097 4.300 4.320 -0.196 0.000 0.192 739 K C 0.903 177.558 176.600 0.091 0.000 1.029 739 K CA 0.535 56.880 56.287 0.097 0.000 1.031 739 K CB -0.036 32.530 32.500 0.110 0.000 0.821 739 K HN 0.402 nan 8.250 nan 0.000 0.502 740 K N -0.002 120.442 120.400 0.072 0.000 2.438 740 K HA 0.129 4.332 4.320 -0.196 0.000 0.206 740 K C -0.185 176.494 176.600 0.132 0.000 1.081 740 K CA -0.309 56.032 56.287 0.089 0.000 1.053 740 K CB 0.587 33.102 32.500 0.024 0.000 0.908 740 K HN -0.039 nan 8.250 nan 0.000 0.556 741 N N 1.598 120.319 118.700 0.036 0.000 2.518 741 N HA 0.227 4.850 4.740 -0.196 0.000 0.266 741 N C -0.620 174.713 175.510 -0.295 0.000 1.196 741 N CA 0.323 53.294 53.050 -0.130 0.000 0.947 741 N CB 0.699 39.153 38.487 -0.054 0.000 1.098 741 N HN 0.056 nan 8.380 nan 0.000 0.450 742 I N 0.227 120.442 120.570 -0.592 0.000 2.512 742 I HA 0.396 4.448 4.170 -0.196 0.000 0.287 742 I C 0.425 176.027 176.117 -0.858 0.000 1.069 742 I CA -0.861 60.051 61.300 -0.646 0.000 1.056 742 I CB 2.131 39.792 38.000 -0.565 0.000 1.229 742 I HN 0.369 nan 8.210 nan 0.000 0.429 743 G N 4.878 113.226 108.800 -0.754 0.000 2.400 743 G HA2 0.711 4.554 3.960 -0.196 0.000 0.333 743 G HA3 0.711 4.554 3.960 -0.196 0.000 0.333 743 G C -1.676 172.875 174.900 -0.582 0.000 1.143 743 G CA -0.338 44.315 45.100 -0.746 0.000 0.914 743 G HN 0.411 nan 8.290 nan 0.000 0.480 744 Y N 0.612 120.876 120.300 -0.061 0.000 2.329 744 Y HA 0.466 4.899 4.550 -0.196 0.000 0.328 744 Y C -0.816 175.123 175.900 0.064 0.000 0.992 744 Y CA -1.467 56.569 58.100 -0.107 0.000 1.151 744 Y CB 2.005 40.228 38.460 -0.395 0.000 1.150 744 Y HN 0.506 nan 8.280 nan 0.000 0.450 745 F N 4.778 124.689 119.950 -0.065 0.000 2.411 745 F HA 0.652 5.062 4.527 -0.196 0.000 0.352 745 F C -1.582 173.939 175.800 -0.464 0.000 1.123 745 F CA -2.261 55.647 58.000 -0.154 0.000 1.044 745 F CB 0.332 39.198 39.000 -0.224 0.000 1.135 745 F HN 0.292 nan 8.300 nan 0.000 0.461 746 F N 7.658 127.243 119.950 -0.610 0.000 2.404 746 F HA 0.295 4.704 4.527 -0.196 0.000 0.358 746 F C 0.540 175.809 175.800 -0.886 0.000 1.120 746 F CA -0.372 57.286 58.000 -0.570 0.000 1.144 746 F CB 0.444 39.345 39.000 -0.164 0.000 1.133 746 F HN 0.474 nan 8.300 nan 0.000 0.495 747 F N 0.950 120.599 119.950 -0.501 0.000 2.171 747 F HA -0.050 4.360 4.527 -0.196 0.000 0.300 747 F C 0.963 176.689 175.800 -0.123 0.000 1.090 747 F CA 0.945 58.688 58.000 -0.428 0.000 1.293 747 F CB -0.353 38.530 39.000 -0.194 0.000 1.013 747 F HN 0.170 nan 8.300 nan 0.000 0.486 748 K N 0.133 120.631 120.400 0.165 0.000 2.259 748 K HA 0.279 4.482 4.320 -0.196 0.000 0.252 748 K C -0.387 176.283 176.600 0.117 0.000 0.936 748 K CA -0.840 55.524 56.287 0.128 0.000 0.810 748 K CB 1.552 34.125 32.500 0.121 0.000 1.143 748 K HN -0.181 nan 8.250 nan 0.000 0.427 749 K N 1.423 121.871 120.400 0.079 0.000 2.530 749 K HA 0.023 4.226 4.320 -0.196 0.000 0.280 749 K C -0.437 176.159 176.600 -0.006 0.000 1.004 749 K CA 0.666 56.973 56.287 0.033 0.000 1.071 749 K CB 0.300 32.819 32.500 0.033 0.000 0.876 749 K HN 0.504 nan 8.250 nan 0.000 0.487 750 S N 0.771 116.395 115.700 -0.127 0.000 2.595 750 S HA 0.241 4.593 4.470 -0.196 0.000 0.281 750 S C -1.005 173.447 174.600 -0.247 0.000 1.117 750 S CA -0.849 57.246 58.200 -0.175 0.000 0.873 750 S CB 2.058 65.117 63.200 -0.234 0.000 1.108 750 S HN 0.522 nan 8.310 nan 0.000 0.477 751 S N 1.861 117.463 115.700 -0.164 0.000 2.448 751 S HA 0.689 5.042 4.470 -0.196 0.000 0.320 751 S C -0.460 174.049 174.600 -0.152 0.000 1.071 751 S CA -0.738 57.384 58.200 -0.129 0.000 1.113 751 S CB -0.873 62.286 63.200 -0.069 0.000 0.972 751 S HN 0.585 nan 8.310 nan 0.000 0.465 752 I N 2.180 122.654 120.570 -0.160 0.000 3.108 752 I HA 0.904 4.956 4.170 -0.196 0.000 0.312 752 I C -0.414 175.683 176.117 -0.033 0.000 1.095 752 I CA -0.871 60.340 61.300 -0.147 0.000 1.000 752 I CB 2.341 40.176 38.000 -0.273 0.000 1.229 752 I HN 0.529 nan 8.210 nan 0.000 0.454 753 S N 3.614 119.293 115.700 -0.035 0.000 2.568 753 S HA 0.854 5.207 4.470 -0.196 0.000 0.293 753 S C -0.833 173.784 174.600 0.029 0.000 1.089 753 S CA -0.794 57.423 58.200 0.028 0.000 0.945 753 S CB 1.722 64.903 63.200 -0.031 0.000 1.077 753 S HN 0.762 nan 8.310 nan 0.000 0.485 754 M N 2.224 121.888 119.600 0.106 0.000 2.470 754 M HA 0.560 4.922 4.480 -0.196 0.000 0.285 754 M C -1.137 175.198 176.300 0.058 0.000 1.213 754 M CA -0.460 54.864 55.300 0.040 0.000 0.901 754 M CB 2.756 35.348 32.600 -0.014 0.000 1.718 754 M HN 1.030 nan 8.290 nan 0.000 0.469 755 S N 1.179 116.885 115.700 0.011 0.000 2.579 755 S HA 0.748 5.101 4.470 -0.196 0.000 0.272 755 S C -1.471 173.135 174.600 0.010 0.000 1.141 755 S CA -1.006 57.203 58.200 0.015 0.000 0.843 755 S CB 2.690 65.892 63.200 0.004 0.000 1.122 755 S HN 0.744 nan 8.310 nan 0.000 0.468 756 K N 0.770 121.180 120.400 0.016 0.000 2.502 756 K HA 0.765 4.967 4.320 -0.196 0.000 0.254 756 K C -1.112 175.503 176.600 0.025 0.000 0.947 756 K CA -0.591 55.710 56.287 0.024 0.000 0.834 756 K CB 1.310 33.820 32.500 0.017 0.000 1.112 756 K HN 1.047 nan 8.250 nan 0.000 0.427 757 A N 3.717 126.563 122.820 0.043 0.000 2.539 757 A HA 0.504 4.706 4.320 -0.196 0.000 0.296 757 A C -1.849 175.771 177.584 0.060 0.000 1.073 757 A CA -0.857 51.202 52.037 0.036 0.000 0.700 757 A CB 1.385 20.398 19.000 0.021 0.000 1.296 757 A HN 0.690 nan 8.150 nan 0.000 0.405 758 L N 1.089 122.334 121.223 0.038 0.000 2.361 758 L HA 0.401 4.624 4.340 -0.196 0.000 0.278 758 L C 0.041 176.938 176.870 0.046 0.000 1.113 758 L CA 0.957 55.822 54.840 0.042 0.000 0.849 758 L CB 0.461 42.529 42.059 0.016 0.000 1.155 758 L HN 0.709 nan 8.230 nan 0.000 0.452 759 Q N 4.683 124.533 119.800 0.083 0.000 2.333 759 Q HA 0.528 4.750 4.340 -0.196 0.000 0.267 759 Q C -1.053 174.953 176.000 0.010 0.000 1.012 759 Q CA -0.788 55.031 55.803 0.027 0.000 0.824 759 Q CB 2.268 30.987 28.738 -0.032 0.000 1.290 759 Q HN 0.525 nan 8.270 nan 0.000 0.449 760 K N 0.403 120.786 120.400 -0.027 0.000 2.340 760 K HA 0.913 5.116 4.320 -0.196 0.000 0.244 760 K C -0.505 176.058 176.600 -0.062 0.000 0.973 760 K CA -0.826 55.441 56.287 -0.033 0.000 0.828 760 K CB 2.176 34.666 32.500 -0.016 0.000 1.226 760 K HN 0.728 nan 8.250 nan 0.000 0.437 761 G N -0.392 108.368 108.800 -0.067 0.000 2.328 761 G HA2 0.538 4.381 3.960 -0.196 0.000 0.295 761 G HA3 0.538 4.381 3.960 -0.196 0.000 0.295 761 G C -1.989 172.865 174.900 -0.077 0.000 1.413 761 G CA -0.507 44.544 45.100 -0.081 0.000 0.817 761 G HN 0.635 nan 8.290 nan 0.000 0.546 762 A N -1.221 121.564 122.820 -0.058 0.000 2.423 762 A HA 0.693 4.896 4.320 -0.196 0.000 0.304 762 A C 0.224 177.813 177.584 0.009 0.000 1.104 762 A CA -0.626 51.415 52.037 0.007 0.000 0.757 762 A CB 0.916 19.954 19.000 0.062 0.000 1.313 762 A HN 0.913 nan 8.150 nan 0.000 0.423 763 W N 0.613 121.934 121.300 0.034 0.000 2.392 763 W HA -0.079 4.464 4.660 -0.194 0.000 0.279 763 W C 2.100 178.631 176.519 0.021 0.000 1.225 763 W CA 1.613 58.981 57.345 0.038 0.000 1.233 763 W CB 0.229 29.719 29.460 0.050 0.000 1.122 763 W HN 0.821 nan 8.180 nan 0.000 0.561 764 K N 0.600 121.142 120.400 0.237 0.000 2.152 764 K HA -0.206 3.997 4.320 -0.196 0.000 0.206 764 K C 1.336 177.985 176.600 0.083 0.000 1.048 764 K CA 1.839 58.207 56.287 0.135 0.000 0.933 764 K CB -0.254 32.304 32.500 0.097 0.000 0.721 764 K HN -0.012 nan 8.250 nan 0.000 0.447 765 D N 0.624 121.055 120.400 0.051 0.000 2.190 765 D HA -0.186 4.337 4.640 -0.196 0.000 0.200 765 D C 1.686 177.970 176.300 -0.027 0.000 0.992 765 D CA 1.534 55.536 54.000 0.004 0.000 0.854 765 D CB -0.039 40.742 40.800 -0.032 0.000 0.936 765 D HN 0.590 nan 8.370 nan 0.000 0.462 766 I N -3.967 116.599 120.570 -0.006 0.000 4.139 766 I HA 0.237 4.290 4.170 -0.196 0.000 0.335 766 I C 0.039 176.172 176.117 0.028 0.000 1.327 766 I CA -0.220 61.054 61.300 -0.043 0.000 1.112 766 I CB 0.533 38.488 38.000 -0.074 0.000 1.058 766 I HN -0.253 nan 8.210 nan 0.000 0.396 767 N N 1.805 120.559 118.700 0.090 0.000 2.812 767 N HA 0.041 4.664 4.740 -0.196 0.000 0.262 767 N C 0.423 175.992 175.510 0.098 0.000 1.241 767 N CA -0.059 53.054 53.050 0.106 0.000 0.854 767 N CB 1.197 39.766 38.487 0.136 0.000 1.506 767 N HN -0.010 nan 8.380 nan 0.000 0.576 768 E N 2.351 122.601 120.200 0.084 0.000 2.164 768 E HA -0.173 4.060 4.350 -0.196 0.000 0.206 768 E C 1.391 178.027 176.600 0.060 0.000 1.032 768 E CA 1.899 58.340 56.400 0.070 0.000 0.832 768 E CB -0.178 29.562 29.700 0.067 0.000 0.742 768 E HN 0.791 nan 8.360 nan 0.000 0.460 769 G N 0.386 109.219 108.800 0.056 0.000 2.559 769 G HA2 -0.158 3.685 3.960 -0.196 0.000 0.216 769 G HA3 -0.158 3.685 3.960 -0.196 0.000 0.216 769 G C 0.907 175.829 174.900 0.037 0.000 1.126 769 G CA 0.194 45.319 45.100 0.042 0.000 0.778 769 G HN 0.103 nan 8.290 nan 0.000 0.543 770 Q N -0.051 119.783 119.800 0.058 0.000 2.169 770 Q HA 0.378 4.601 4.340 -0.196 0.000 0.234 770 Q C 0.092 176.137 176.000 0.076 0.000 0.980 770 Q CA -0.525 55.312 55.803 0.057 0.000 0.941 770 Q CB 1.200 30.010 28.738 0.121 0.000 1.199 770 Q HN 0.120 nan 8.270 nan 0.000 0.496 771 S N 0.764 116.508 115.700 0.073 0.000 2.562 771 S HA -0.022 4.331 4.470 -0.196 0.000 0.281 771 S C 0.467 175.143 174.600 0.126 0.000 1.333 771 S CA -0.216 58.033 58.200 0.082 0.000 1.052 771 S CB 0.295 63.536 63.200 0.068 0.000 0.884 771 S HN 0.580 nan 8.310 nan 0.000 0.506 772 D N 2.742 123.194 120.400 0.088 0.000 2.339 772 D HA 0.007 4.529 4.640 -0.196 0.000 0.217 772 D C 0.472 176.821 176.300 0.081 0.000 1.050 772 D CA -0.038 54.011 54.000 0.081 0.000 0.856 772 D CB -0.192 40.640 40.800 0.053 0.000 0.922 772 D HN 0.532 nan 8.370 nan 0.000 0.518 773 K N 1.626 122.083 120.400 0.094 0.000 2.472 773 K HA -0.076 4.127 4.320 -0.196 0.000 0.280 773 K C 0.224 176.881 176.600 0.096 0.000 1.028 773 K CA -0.161 56.178 56.287 0.087 0.000 1.045 773 K CB 0.501 33.056 32.500 0.091 0.000 0.902 773 K HN 0.067 nan 8.250 nan 0.000 0.478 774 E N 3.313 123.551 120.200 0.064 0.000 2.376 774 E HA 0.039 4.271 4.350 -0.196 0.000 0.266 774 E C -1.037 175.596 176.600 0.054 0.000 1.009 774 E CA -0.163 56.264 56.400 0.046 0.000 0.902 774 E CB 0.891 30.609 29.700 0.029 0.000 0.972 774 E HN 0.294 nan 8.360 nan 0.000 0.439 775 V N 4.143 124.077 119.914 0.034 0.000 2.864 775 V HA 0.380 4.382 4.120 -0.196 0.000 0.314 775 V C -0.486 175.609 176.094 0.002 0.000 1.073 775 V CA -0.611 61.708 62.300 0.032 0.000 0.956 775 V CB 2.006 33.842 31.823 0.022 0.000 1.023 775 V HN 0.784 nan 8.190 nan 0.000 0.435 776 E N 2.750 122.956 120.200 0.009 0.000 2.383 776 E HA 0.660 4.892 4.350 -0.196 0.000 0.275 776 E C -1.691 174.905 176.600 -0.006 0.000 0.918 776 E CA -1.120 55.283 56.400 0.005 0.000 0.764 776 E CB 2.685 32.389 29.700 0.006 0.000 1.252 776 E HN 0.522 nan 8.360 nan 0.000 0.449 777 N N 0.938 119.641 118.700 0.004 0.000 2.405 777 N HA 0.175 4.797 4.740 -0.196 0.000 0.274 777 N C -1.565 173.897 175.510 -0.080 0.000 1.170 777 N CA -0.701 52.289 53.050 -0.099 0.000 0.848 777 N CB 2.464 40.803 38.487 -0.248 0.000 1.629 777 N HN 0.631 nan 8.380 nan 0.000 0.481 778 E N 0.502 120.596 120.200 -0.178 0.000 2.301 778 E HA 0.515 4.748 4.350 -0.196 0.000 0.275 778 E C -1.332 175.072 176.600 -0.327 0.000 1.030 778 E CA 0.015 56.346 56.400 -0.115 0.000 0.852 778 E CB 0.587 30.234 29.700 -0.088 0.000 1.060 778 E HN 0.295 nan 8.360 nan 0.000 0.401 779 F N 3.035 122.946 119.950 -0.065 0.000 2.565 779 F HA 0.370 4.779 4.527 -0.196 0.000 0.313 779 F C -0.969 174.806 175.800 -0.043 0.000 1.091 779 F CA -1.171 56.790 58.000 -0.066 0.000 0.915 779 F CB 1.454 40.387 39.000 -0.111 0.000 1.208 779 F HN 0.290 nan 8.300 nan 0.000 0.453 780 L N 2.729 124.034 121.223 0.136 0.000 2.287 780 L HA 0.687 4.909 4.340 -0.196 0.000 0.287 780 L C -0.618 176.274 176.870 0.037 0.000 1.022 780 L CA -0.166 54.707 54.840 0.056 0.000 0.814 780 L CB 1.031 43.092 42.059 0.005 0.000 1.217 780 L HN 0.566 nan 8.230 nan 0.000 0.420 781 T N 6.743 121.296 114.554 -0.002 0.000 2.797 781 T HA 0.669 4.901 4.350 -0.196 0.000 0.279 781 T C -0.074 174.573 174.700 -0.089 0.000 0.991 781 T CA -0.171 61.905 62.100 -0.041 0.000 0.979 781 T CB 1.001 69.847 68.868 -0.037 0.000 0.943 781 T HN 0.496 nan 8.240 nan 0.000 0.444 782 I N 3.037 123.524 120.570 -0.139 0.000 2.465 782 I HA 0.591 4.643 4.170 -0.196 0.000 0.291 782 I C 0.062 176.080 176.117 -0.166 0.000 1.014 782 I CA -0.714 60.467 61.300 -0.198 0.000 1.093 782 I CB 1.909 39.686 38.000 -0.372 0.000 1.267 782 I HN 0.719 nan 8.210 nan 0.000 0.431 783 S N 4.554 120.169 115.700 -0.143 0.000 2.579 783 S HA 0.539 4.891 4.470 -0.196 0.000 0.272 783 S C -1.135 173.380 174.600 -0.141 0.000 1.141 783 S CA -0.863 57.260 58.200 -0.129 0.000 0.843 783 S CB 2.377 65.518 63.200 -0.098 0.000 1.122 783 S HN 0.675 nan 8.310 nan 0.000 0.468 784 Q N 1.069 120.772 119.800 -0.162 0.000 2.320 784 Q HA 0.636 4.858 4.340 -0.196 0.000 0.268 784 Q C -0.729 175.025 176.000 -0.411 0.000 1.023 784 Q CA -0.812 54.871 55.803 -0.200 0.000 0.744 784 Q CB 1.646 30.334 28.738 -0.084 0.000 1.246 784 Q HN 1.069 nan 8.270 nan 0.000 0.462 785 A N 3.812 126.450 122.820 -0.303 0.000 2.440 785 A HA 0.251 4.453 4.320 -0.196 0.000 0.251 785 A C -0.838 176.542 177.584 -0.341 0.000 1.089 785 A CA -0.057 51.804 52.037 -0.293 0.000 0.779 785 A CB 0.202 19.128 19.000 -0.123 0.000 1.022 785 A HN 0.780 nan 8.150 nan 0.000 0.492 786 H N 2.837 121.941 119.070 0.057 0.000 2.697 786 H HA 0.237 4.676 4.556 -0.196 0.000 0.270 786 H C 0.210 175.564 175.328 0.043 0.000 1.188 786 H CA -0.390 55.697 56.048 0.065 0.000 1.322 786 H CB 0.965 30.784 29.762 0.095 0.000 1.405 786 H HN 0.799 nan 8.280 nan 0.000 0.502 787 K N 0.712 121.179 120.400 0.111 0.000 2.314 787 K HA 0.041 4.244 4.320 -0.196 0.000 0.198 787 K C 0.415 177.051 176.600 0.060 0.000 1.045 787 K CA 0.561 56.886 56.287 0.064 0.000 0.988 787 K CB 0.613 33.132 32.500 0.032 0.000 0.783 787 K HN 0.375 nan 8.250 nan 0.000 0.484 788 Q N 0.737 120.578 119.800 0.068 0.000 2.348 788 Q HA 0.237 4.460 4.340 -0.196 0.000 0.271 788 Q C -0.955 175.067 176.000 0.035 0.000 1.067 788 Q CA -0.577 55.251 55.803 0.041 0.000 0.839 788 Q CB 1.514 30.270 28.738 0.031 0.000 1.354 788 Q HN 0.127 nan 8.270 nan 0.000 0.447 789 N N -0.254 118.454 118.700 0.013 0.000 2.479 789 N HA 0.298 4.921 4.740 -0.196 0.000 0.257 789 N C 0.847 176.344 175.510 -0.022 0.000 1.232 789 N CA 0.822 53.868 53.050 -0.007 0.000 0.920 789 N CB 0.336 38.814 38.487 -0.016 0.000 1.105 789 N HN 0.862 nan 8.380 nan 0.000 0.444 790 G N 0.223 108.993 108.800 -0.049 0.000 2.162 790 G HA2 -0.276 3.567 3.960 -0.196 0.000 0.260 790 G HA3 -0.276 3.567 3.960 -0.196 0.000 0.260 790 G C -0.068 174.798 174.900 -0.056 0.000 0.976 790 G CA -0.043 45.018 45.100 -0.064 0.000 0.655 790 G HN 0.603 nan 8.290 nan 0.000 0.533 791 D N 0.018 120.395 120.400 -0.039 0.000 2.349 791 D HA 0.562 5.085 4.640 -0.196 0.000 0.239 791 D C 0.524 176.769 176.300 -0.092 0.000 1.315 791 D CA 1.152 55.143 54.000 -0.015 0.000 0.937 791 D CB 1.018 41.851 40.800 0.055 0.000 1.133 791 D HN 0.227 nan 8.370 nan 0.000 0.489 792 S N -0.863 114.814 115.700 -0.039 0.000 2.535 792 S HA 0.495 4.848 4.470 -0.196 0.000 0.272 792 S C -1.756 172.918 174.600 0.122 0.000 1.149 792 S CA -0.788 57.379 58.200 -0.055 0.000 0.888 792 S CB 0.469 63.672 63.200 0.005 0.000 1.110 792 S HN 0.372 nan 8.310 nan 0.000 0.463 793 Y N -0.136 120.238 120.300 0.123 0.000 2.605 793 Y HA 0.930 5.362 4.550 -0.196 0.000 0.343 793 Y C -0.214 175.825 175.900 0.232 0.000 1.036 793 Y CA -1.198 57.059 58.100 0.261 0.000 1.065 793 Y CB 1.285 39.984 38.460 0.398 0.000 1.288 793 Y HN 0.827 nan 8.280 nan 0.000 0.481 794 G N 1.823 111.011 108.800 0.646 0.000 2.152 794 G HA2 0.499 4.342 3.960 -0.196 0.000 0.290 794 G HA3 0.499 4.342 3.960 -0.196 0.000 0.290 794 G C -2.242 173.001 174.900 0.572 0.000 1.307 794 G CA -0.628 44.790 45.100 0.529 0.000 1.289 794 G HN 1.175 nan 8.290 nan 0.000 0.612 795 Y N -0.182 120.313 120.300 0.325 0.000 2.656 795 Y HA 0.856 5.289 4.550 -0.196 0.000 0.334 795 Y C -1.169 174.638 175.900 -0.155 0.000 1.179 795 Y CA -2.139 55.758 58.100 -0.339 0.000 1.050 795 Y CB 1.954 40.010 38.460 -0.674 0.000 1.308 795 Y HN 0.472 nan 8.280 nan 0.000 0.456 796 M N 3.457 122.910 119.600 -0.245 0.000 2.125 796 M HA 0.486 4.849 4.480 -0.196 0.000 0.321 796 M C -2.040 174.317 176.300 0.096 0.000 0.983 796 M CA -1.173 54.143 55.300 0.026 0.000 0.934 796 M CB 1.307 33.910 32.600 0.005 0.000 1.542 796 M HN 0.768 nan 8.290 nan 0.000 0.424 797 L N 7.154 128.453 121.223 0.126 0.000 2.361 797 L HA 0.528 4.750 4.340 -0.196 0.000 0.278 797 L C -1.301 175.499 176.870 -0.116 0.000 1.113 797 L CA 0.645 55.441 54.840 -0.073 0.000 0.849 797 L CB -0.027 41.997 42.059 -0.060 0.000 1.155 797 L HN 0.725 nan 8.230 nan 0.000 0.452 798 I N 8.215 128.691 120.570 -0.158 0.000 2.502 798 I HA 0.356 4.409 4.170 -0.196 0.000 0.276 798 I C -2.269 173.715 176.117 -0.222 0.000 1.057 798 I CA -1.619 59.623 61.300 -0.097 0.000 1.163 798 I CB 1.154 39.241 38.000 0.145 0.000 1.288 798 I HN 0.507 nan 8.210 nan 0.000 0.479 799 P HA 0.348 nan 4.420 nan 0.000 0.281 799 P C -0.379 176.791 177.300 -0.216 0.000 1.264 799 P CA -0.291 62.566 63.100 -0.405 0.000 0.824 799 P CB 0.875 32.157 31.700 -0.697 0.000 1.092 800 N N -2.821 115.822 118.700 -0.096 0.000 2.829 800 N HA -0.115 4.508 4.740 -0.196 0.000 0.250 800 N C -0.126 175.427 175.510 0.072 0.000 1.090 800 N CA 1.317 54.385 53.050 0.030 0.000 0.781 800 N CB -2.097 36.466 38.487 0.126 0.000 1.124 800 N HN 0.415 nan 8.380 nan 0.000 0.559 801 V N -2.890 117.080 119.914 0.094 0.000 2.960 801 V HA 0.798 4.801 4.120 -0.196 0.000 0.315 801 V C 0.464 176.673 176.094 0.191 0.000 1.087 801 V CA -1.028 61.343 62.300 0.119 0.000 0.982 801 V CB 2.164 34.050 31.823 0.105 0.000 1.039 801 V HN 0.179 nan 8.190 nan 0.000 0.437 802 D N 2.056 122.527 120.400 0.119 0.000 2.371 802 D HA 0.114 4.637 4.640 -0.196 0.000 0.242 802 D C 1.104 177.337 176.300 -0.111 0.000 1.218 802 D CA -0.158 53.905 54.000 0.105 0.000 0.945 802 D CB 0.786 41.617 40.800 0.053 0.000 1.137 802 D HN 0.730 nan 8.370 nan 0.000 0.464 803 R N 0.129 120.444 120.500 -0.308 0.000 2.105 803 R HA -0.144 4.079 4.340 -0.196 0.000 0.239 803 R C 1.867 177.906 176.300 -0.436 0.000 1.135 803 R CA 1.589 57.205 56.100 -0.806 0.000 0.967 803 R CB -0.460 29.445 30.300 -0.657 0.000 0.861 803 R HN 0.572 nan 8.270 nan 0.000 0.442 804 A N -0.436 122.240 122.820 -0.239 0.000 1.930 804 A HA -0.031 4.171 4.320 -0.196 0.000 0.215 804 A C 2.070 179.564 177.584 -0.151 0.000 1.176 804 A CA 1.511 53.443 52.037 -0.174 0.000 0.632 804 A CB -0.503 18.430 19.000 -0.112 0.000 0.819 804 A HN 0.410 nan 8.150 nan 0.000 0.445 805 T N -0.434 114.051 114.554 -0.114 0.000 2.746 805 T HA -0.136 4.097 4.350 -0.196 0.000 0.267 805 T C 1.607 176.250 174.700 -0.095 0.000 1.039 805 T CA 1.591 63.640 62.100 -0.085 0.000 1.142 805 T CB -0.400 68.449 68.868 -0.033 0.000 0.866 805 T HN 0.493 nan 8.240 nan 0.000 0.444 806 F N 3.063 122.843 119.950 -0.283 0.000 2.102 806 F HA -0.107 4.302 4.527 -0.196 0.000 0.298 806 F C 1.996 177.615 175.800 -0.301 0.000 1.105 806 F CA 1.083 58.905 58.000 -0.296 0.000 1.239 806 F CB -0.511 38.210 39.000 -0.465 0.000 0.991 806 F HN 0.021 nan 8.300 nan 0.000 0.474 807 N N 0.497 118.970 118.700 -0.378 0.000 2.166 807 N HA -0.199 4.424 4.740 -0.196 0.000 0.186 807 N C 1.818 177.105 175.510 -0.373 0.000 1.019 807 N CA 1.427 54.228 53.050 -0.415 0.000 0.856 807 N CB -0.565 37.767 38.487 -0.258 0.000 0.993 807 N HN 0.439 nan 8.380 nan 0.000 0.426 808 Q N 0.247 119.879 119.800 -0.281 0.000 2.079 808 Q HA 0.103 4.326 4.340 -0.196 0.000 0.200 808 Q C 2.085 177.918 176.000 -0.279 0.000 0.974 808 Q CA 1.210 56.875 55.803 -0.231 0.000 0.840 808 Q CB -0.037 28.606 28.738 -0.159 0.000 0.898 808 Q HN 0.387 nan 8.270 nan 0.000 0.430 809 M N -0.056 119.352 119.600 -0.321 0.000 2.175 809 M HA -0.114 4.249 4.480 -0.196 0.000 0.264 809 M C 2.079 178.067 176.300 -0.521 0.000 1.063 809 M CA 1.222 56.320 55.300 -0.337 0.000 1.119 809 M CB -0.481 31.967 32.600 -0.253 0.000 1.377 809 M HN 0.350 nan 8.290 nan 0.000 0.415 810 I N -1.668 118.435 120.570 -0.778 0.000 2.493 810 I HA -0.186 3.867 4.170 -0.196 0.000 0.254 810 I C 1.866 177.539 176.117 -0.741 0.000 1.160 810 I CA 1.202 61.800 61.300 -1.168 0.000 1.445 810 I CB -0.582 36.551 38.000 -1.445 0.000 1.086 810 I HN 0.145 nan 8.210 nan 0.000 0.433 811 K N 1.768 121.901 120.400 -0.444 0.000 2.057 811 K HA -0.103 4.100 4.320 -0.196 0.000 0.206 811 K C 1.891 178.372 176.600 -0.198 0.000 1.050 811 K CA 1.474 57.606 56.287 -0.259 0.000 0.935 811 K CB -0.410 31.980 32.500 -0.183 0.000 0.715 811 K HN 0.523 nan 8.250 nan 0.000 0.439 812 E N 0.428 120.501 120.200 -0.212 0.000 2.204 812 E HA -0.116 4.116 4.350 -0.196 0.000 0.195 812 E C 1.151 177.681 176.600 -0.116 0.000 0.990 812 E CA 0.598 56.909 56.400 -0.149 0.000 0.821 812 E CB 0.101 29.709 29.700 -0.152 0.000 0.750 812 E HN -0.008 nan 8.360 nan 0.000 0.477 813 L N 0.540 121.672 121.223 -0.152 0.000 2.607 813 L HA 0.038 4.261 4.340 -0.196 0.000 0.228 813 L C 1.920 178.899 176.870 0.181 0.000 1.123 813 L CA 0.772 55.612 54.840 0.000 0.000 0.890 813 L CB -0.351 41.692 42.059 -0.028 0.000 1.103 813 L HN 0.142 nan 8.230 nan 0.000 0.468 814 E N -0.432 119.823 120.200 0.092 0.000 2.160 814 E HA -0.187 4.046 4.350 -0.196 0.000 0.195 814 E C 1.178 177.921 176.600 0.238 0.000 0.991 814 E CA 1.784 58.318 56.400 0.224 0.000 0.810 814 E CB 0.088 29.855 29.700 0.112 0.000 0.742 814 E HN 0.240 nan 8.360 nan 0.000 0.466 815 S N -0.270 115.527 115.700 0.161 0.000 2.575 815 S HA 0.057 4.410 4.470 -0.196 0.000 0.237 815 S C 1.359 176.039 174.600 0.132 0.000 0.975 815 S CA 0.197 58.476 58.200 0.132 0.000 0.960 815 S CB 0.589 63.847 63.200 0.096 0.000 0.822 815 S HN 0.452 nan 8.310 nan 0.000 0.472 816 S N 1.357 117.156 115.700 0.165 0.000 2.399 816 S HA 0.043 4.396 4.470 -0.196 0.000 0.231 816 S C 0.781 175.349 174.600 -0.054 0.000 1.022 816 S CA 0.280 58.548 58.200 0.115 0.000 0.983 816 S CB -0.462 62.840 63.200 0.171 0.000 0.803 816 S HN 0.517 nan 8.310 nan 0.000 0.480 817 L N 2.485 123.571 121.223 -0.228 0.000 2.500 817 L HA 0.137 4.360 4.340 -0.196 0.000 0.272 817 L C 0.728 177.471 176.870 -0.213 0.000 1.149 817 L CA -0.037 54.512 54.840 -0.484 0.000 0.897 817 L CB 0.413 42.108 42.059 -0.606 0.000 1.178 817 L HN 0.312 nan 8.230 nan 0.000 0.473 818 I N 2.695 123.156 120.570 -0.181 0.000 2.927 818 I HA 0.158 4.211 4.170 -0.196 0.000 0.268 818 I C 0.505 176.566 176.117 -0.093 0.000 1.153 818 I CA 0.621 61.873 61.300 -0.081 0.000 1.459 818 I CB 0.076 38.072 38.000 -0.007 0.000 1.149 818 I HN 0.603 nan 8.210 nan 0.000 0.443 819 E N 0.419 120.543 120.200 -0.126 0.000 2.388 819 E HA 0.309 4.542 4.350 -0.196 0.000 0.281 819 E C -0.991 175.544 176.600 -0.109 0.000 1.046 819 E CA -0.397 55.949 56.400 -0.090 0.000 0.825 819 E CB 1.373 31.046 29.700 -0.045 0.000 1.243 819 E HN 0.106 nan 8.360 nan 0.000 0.438 820 N N 3.079 121.730 118.700 -0.081 0.000 2.732 820 N HA 0.174 4.797 4.740 -0.196 0.000 0.235 820 N C -1.373 174.104 175.510 -0.055 0.000 1.466 820 N CA -0.221 52.784 53.050 -0.076 0.000 0.751 820 N CB -0.014 38.406 38.487 -0.112 0.000 1.317 820 N HN 0.518 nan 8.380 nan 0.000 0.525 821 N N -0.253 118.430 118.700 -0.028 0.000 3.167 821 N HA 0.254 4.876 4.740 -0.196 0.000 0.323 821 N C 0.572 176.077 175.510 -0.008 0.000 1.478 821 N CA -0.457 52.576 53.050 -0.028 0.000 0.753 821 N CB 0.251 38.725 38.487 -0.022 0.000 1.721 821 N HN 0.019 nan 8.380 nan 0.000 0.618 822 E N -1.645 118.543 120.200 -0.019 0.000 2.268 822 E HA -0.033 4.200 4.350 -0.196 0.000 0.195 822 E C 0.873 177.507 176.600 0.056 0.000 0.995 822 E CA 1.763 58.157 56.400 -0.011 0.000 0.836 822 E CB -0.553 29.110 29.700 -0.061 0.000 0.763 822 E HN 0.808 nan 8.360 nan 0.000 0.491 823 T N -2.674 111.918 114.554 0.064 0.000 2.975 823 T HA 0.338 4.570 4.350 -0.196 0.000 0.261 823 T C 0.024 174.825 174.700 0.168 0.000 0.984 823 T CA -0.467 61.705 62.100 0.120 0.000 0.911 823 T CB 0.197 69.117 68.868 0.087 0.000 1.127 823 T HN 0.071 nan 8.240 nan 0.000 0.514 824 L N 1.429 122.728 121.223 0.127 0.000 2.470 824 L HA 0.613 4.836 4.340 -0.196 0.000 0.268 824 L C -1.947 174.997 176.870 0.123 0.000 0.964 824 L CA -0.535 54.386 54.840 0.136 0.000 0.839 824 L CB 2.336 44.437 42.059 0.070 0.000 1.276 824 L HN 0.153 nan 8.230 nan 0.000 0.403 825 Q N 3.114 123.032 119.800 0.197 0.000 2.285 825 Q HA 0.764 4.986 4.340 -0.196 0.000 0.269 825 Q C -1.471 174.664 176.000 0.224 0.000 1.030 825 Q CA -0.627 55.294 55.803 0.197 0.000 0.788 825 Q CB 2.395 31.335 28.738 0.338 0.000 1.266 825 Q HN 0.632 nan 8.270 nan 0.000 0.438 826 S N 1.569 117.222 115.700 -0.079 0.000 2.535 826 S HA 0.673 5.025 4.470 -0.196 0.000 0.272 826 S C -1.693 172.671 174.600 -0.393 0.000 1.149 826 S CA -0.470 57.654 58.200 -0.127 0.000 0.888 826 S CB 1.570 64.821 63.200 0.086 0.000 1.110 826 S HN 0.309 nan 8.310 nan 0.000 0.463 827 V N 4.572 124.245 119.914 -0.402 0.000 2.709 827 V HA 0.606 4.609 4.120 -0.196 0.000 0.308 827 V C -1.459 174.664 176.094 0.048 0.000 1.062 827 V CA -0.699 61.407 62.300 -0.323 0.000 0.901 827 V CB 1.862 33.345 31.823 -0.566 0.000 1.003 827 V HN 0.865 nan 8.190 nan 0.000 0.425 828 Y N 2.751 122.976 120.300 -0.125 0.000 2.391 828 Y HA 0.615 5.047 4.550 -0.196 0.000 0.341 828 Y C -0.659 175.126 175.900 -0.191 0.000 0.965 828 Y CA -1.317 56.642 58.100 -0.235 0.000 1.067 828 Y CB 1.859 40.157 38.460 -0.270 0.000 1.199 828 Y HN 0.699 nan 8.280 nan 0.000 0.450 829 D N 4.758 124.754 120.400 -0.674 0.000 2.443 829 D HA 0.367 4.890 4.640 -0.196 0.000 0.221 829 D C 0.463 176.119 176.300 -1.074 0.000 1.097 829 D CA 0.252 53.873 54.000 -0.632 0.000 0.865 829 D CB 1.415 42.023 40.800 -0.320 0.000 1.034 829 D HN 0.789 nan 8.370 nan 0.000 0.511 830 A N 4.364 126.567 122.820 -1.028 0.000 2.014 830 A HA -0.104 4.098 4.320 -0.196 0.000 0.218 830 A C 1.990 179.341 177.584 -0.389 0.000 1.163 830 A CA 1.001 52.541 52.037 -0.830 0.000 0.652 830 A CB -0.121 18.692 19.000 -0.312 0.000 0.808 830 A HN 0.531 nan 8.150 nan 0.000 0.449 831 K N -0.352 119.864 120.400 -0.306 0.000 2.057 831 K HA -0.124 4.079 4.320 -0.196 0.000 0.206 831 K C 2.001 178.501 176.600 -0.167 0.000 1.050 831 K CA 1.640 57.816 56.287 -0.184 0.000 0.935 831 K CB -0.114 32.299 32.500 -0.146 0.000 0.715 831 K HN 0.603 nan 8.250 nan 0.000 0.439 832 Q N -1.208 118.467 119.800 -0.208 0.000 2.402 832 Q HA 0.118 4.340 4.340 -0.196 0.000 0.206 832 Q C 0.455 176.370 176.000 -0.142 0.000 0.919 832 Q CA 0.496 56.215 55.803 -0.141 0.000 0.923 832 Q CB 0.889 29.560 28.738 -0.112 0.000 1.048 832 Q HN 0.522 nan 8.270 nan 0.000 0.515 833 G N 1.233 109.882 108.800 -0.252 0.000 2.256 833 G HA2 -0.219 3.624 3.960 -0.196 0.000 0.272 833 G HA3 -0.219 3.624 3.960 -0.196 0.000 0.272 833 G C -0.269 174.503 174.900 -0.213 0.000 1.076 833 G CA 0.063 45.035 45.100 -0.213 0.000 0.882 833 G HN 0.174 nan 8.290 nan 0.000 0.497 834 V N 0.546 120.267 119.914 -0.320 0.000 2.628 834 V HA 0.743 4.746 4.120 -0.196 0.000 0.306 834 V C 0.063 176.129 176.094 -0.047 0.000 1.045 834 V CA -1.059 61.209 62.300 -0.054 0.000 0.905 834 V CB 1.784 33.622 31.823 0.025 0.000 0.997 834 V HN 0.335 nan 8.190 nan 0.000 0.436 835 W N 2.051 123.585 121.300 0.391 0.000 2.587 835 W HA 0.664 5.207 4.660 -0.196 0.000 0.324 835 W C 0.346 177.073 176.519 0.347 0.000 1.040 835 W CA -0.751 56.836 57.345 0.404 0.000 1.222 835 W CB 2.360 32.097 29.460 0.463 0.000 1.381 835 W HN 0.758 nan 8.180 nan 0.000 0.483 836 G N 2.853 112.001 108.800 0.579 0.000 2.367 836 G HA2 0.771 4.614 3.960 -0.196 0.000 0.314 836 G HA3 0.771 4.614 3.960 -0.196 0.000 0.314 836 G C -1.227 174.094 174.900 0.701 0.000 1.130 836 G CA -0.557 44.929 45.100 0.645 0.000 0.864 836 G HN 0.408 nan 8.290 nan 0.000 0.486 837 I N 1.001 121.941 120.570 0.615 0.000 2.644 837 I HA 0.293 4.345 4.170 -0.196 0.000 0.291 837 I C -0.828 175.585 176.117 0.493 0.000 1.180 837 I CA -0.949 60.667 61.300 0.527 0.000 1.040 837 I CB 2.716 40.901 38.000 0.308 0.000 1.255 837 I HN 0.157 nan 8.210 nan 0.000 0.422 838 V N 5.519 125.702 119.914 0.450 0.000 2.487 838 V HA 0.439 4.441 4.120 -0.196 0.000 0.298 838 V C -0.313 176.009 176.094 0.380 0.000 1.028 838 V CA -0.784 61.742 62.300 0.377 0.000 0.860 838 V CB 1.848 33.853 31.823 0.302 0.000 0.991 838 V HN 0.603 nan 8.190 nan 0.000 0.427 839 K N 3.664 124.303 120.400 0.398 0.000 2.307 839 K HA 0.437 4.639 4.320 -0.196 0.000 0.263 839 K C -0.501 176.241 176.600 0.237 0.000 0.973 839 K CA -0.608 55.873 56.287 0.324 0.000 0.846 839 K CB 1.739 34.418 32.500 0.298 0.000 1.100 839 K HN 0.579 nan 8.250 nan 0.000 0.438 840 Y N 1.064 121.390 120.300 0.044 0.000 2.544 840 Y HA -0.071 4.362 4.550 -0.196 0.000 0.286 840 Y C 0.512 176.296 175.900 -0.192 0.000 1.141 840 Y CA 0.293 58.277 58.100 -0.193 0.000 1.299 840 Y CB 0.199 38.517 38.460 -0.236 0.000 1.030 840 Y HN 0.672 nan 8.280 nan 0.000 0.543 841 D N -3.389 117.035 120.400 0.039 0.000 2.652 841 D HA 0.139 4.662 4.640 -0.196 0.000 0.285 841 D C -0.451 175.867 176.300 0.031 0.000 1.173 841 D CA -0.676 53.329 54.000 0.008 0.000 0.981 841 D CB 0.324 41.137 40.800 0.022 0.000 1.440 841 D HN -0.279 nan 8.370 nan 0.000 0.485 842 D N -0.482 119.928 120.400 0.016 0.000 2.325 842 D HA 0.094 4.616 4.640 -0.196 0.000 0.234 842 D C 0.310 176.618 176.300 0.014 0.000 1.122 842 D CA 0.136 54.150 54.000 0.023 0.000 0.850 842 D CB -0.241 40.566 40.800 0.011 0.000 0.921 842 D HN 0.422 nan 8.370 nan 0.000 0.513 843 S N -0.799 114.908 115.700 0.012 0.000 2.606 843 S HA 0.200 4.553 4.470 -0.196 0.000 0.257 843 S C 0.474 175.064 174.600 -0.016 0.000 1.327 843 S CA -0.779 57.418 58.200 -0.004 0.000 0.984 843 S CB 1.310 64.507 63.200 -0.005 0.000 0.941 843 S HN -0.104 nan 8.310 nan 0.000 0.576 844 V N 2.213 122.106 119.914 -0.035 0.000 2.368 844 V HA 0.332 4.334 4.120 -0.196 0.000 0.266 844 V C -0.023 176.028 176.094 -0.071 0.000 1.045 844 V CA -0.369 61.896 62.300 -0.058 0.000 0.899 844 V CB 0.330 32.115 31.823 -0.064 0.000 1.006 844 V HN 0.899 nan 8.190 nan 0.000 0.470 845 S N 3.448 119.095 115.700 -0.089 0.000 2.451 845 S HA 0.521 4.874 4.470 -0.196 0.000 0.301 845 S C 0.146 174.645 174.600 -0.168 0.000 1.116 845 S CA -0.580 57.555 58.200 -0.109 0.000 1.093 845 S CB 1.507 64.651 63.200 -0.093 0.000 1.017 845 S HN 0.734 nan 8.310 nan 0.000 0.482 846 T N 4.073 118.513 114.554 -0.190 0.000 2.795 846 T HA 0.484 4.717 4.350 -0.196 0.000 0.282 846 T C -0.351 174.146 174.700 -0.338 0.000 0.980 846 T CA -0.468 61.467 62.100 -0.274 0.000 1.012 846 T CB 0.303 69.041 68.868 -0.215 0.000 0.936 846 T HN 0.352 nan 8.240 nan 0.000 0.457 847 I N 2.379 122.603 120.570 -0.577 0.000 2.436 847 I HA 0.285 4.337 4.170 -0.196 0.000 0.289 847 I C 0.809 176.501 176.117 -0.709 0.000 1.010 847 I CA -0.615 60.285 61.300 -0.667 0.000 1.098 847 I CB 1.243 38.623 38.000 -1.033 0.000 1.266 847 I HN 0.766 nan 8.210 nan 0.000 0.434 848 S N 4.650 120.130 115.700 -0.367 0.000 3.521 848 S HA -0.277 4.075 4.470 -0.196 0.000 0.362 848 S C 0.969 175.435 174.600 -0.223 0.000 1.044 848 S CA 1.209 59.270 58.200 -0.232 0.000 1.091 848 S CB -1.351 61.769 63.200 -0.133 0.000 0.908 848 S HN 0.886 nan 8.310 nan 0.000 0.473 849 N N -0.919 117.640 118.700 -0.235 0.000 2.678 849 N HA -0.281 4.341 4.740 -0.196 0.000 0.250 849 N C 0.754 176.160 175.510 -0.173 0.000 1.136 849 N CA 1.717 54.662 53.050 -0.176 0.000 0.757 849 N CB -0.424 38.006 38.487 -0.094 0.000 1.135 849 N HN 0.776 nan 8.380 nan 0.000 0.565 850 Q N -1.857 117.770 119.800 -0.289 0.000 2.369 850 Q HA 0.273 4.496 4.340 -0.196 0.000 0.254 850 Q C -0.345 175.539 176.000 -0.194 0.000 0.858 850 Q CA 0.600 56.315 55.803 -0.146 0.000 0.961 850 Q CB 0.754 29.514 28.738 0.036 0.000 1.119 850 Q HN 0.462 nan 8.270 nan 0.000 0.538 851 F N -2.117 117.589 119.950 -0.406 0.000 2.817 851 F HA 0.566 4.975 4.527 -0.196 0.000 0.317 851 F C -1.777 173.704 175.800 -0.533 0.000 1.168 851 F CA -1.265 56.367 58.000 -0.614 0.000 0.911 851 F CB 1.141 39.557 39.000 -0.972 0.000 1.337 851 F HN -0.375 nan 8.300 nan 0.000 0.464 852 Q N 1.544 121.184 119.800 -0.266 0.000 2.356 852 Q HA 0.705 4.927 4.340 -0.196 0.000 0.270 852 Q C -1.221 174.673 176.000 -0.177 0.000 1.058 852 Q CA -1.308 54.356 55.803 -0.232 0.000 0.802 852 Q CB 3.159 31.757 28.738 -0.234 0.000 1.303 852 Q HN 0.765 nan 8.270 nan 0.000 0.444 853 V N 0.564 120.396 119.914 -0.136 0.000 2.630 853 V HA 0.518 4.521 4.120 -0.196 0.000 0.305 853 V C -0.021 176.010 176.094 -0.104 0.000 1.046 853 V CA -0.515 61.680 62.300 -0.174 0.000 0.934 853 V CB 1.265 32.778 31.823 -0.516 0.000 1.003 853 V HN 0.882 nan 8.190 nan 0.000 0.451 854 L N 0.762 121.984 121.223 -0.002 0.000 2.840 854 L HA 0.482 4.704 4.340 -0.196 0.000 0.249 854 L C 0.786 177.693 176.870 0.060 0.000 1.119 854 L CA 0.147 54.992 54.840 0.009 0.000 0.930 854 L CB 0.282 42.332 42.059 -0.014 0.000 1.295 854 L HN 0.655 nan 8.230 nan 0.000 0.534 855 K N 1.145 121.647 120.400 0.169 0.000 2.422 855 K HA 0.365 4.568 4.320 -0.196 0.000 0.251 855 K C -0.627 176.182 176.600 0.348 0.000 0.933 855 K CA -0.840 55.557 56.287 0.183 0.000 0.798 855 K CB 2.995 35.532 32.500 0.062 0.000 1.238 855 K HN -0.085 nan 8.250 nan 0.000 0.428 856 R N 1.142 121.774 120.500 0.220 0.000 2.523 856 R HA 0.147 4.370 4.340 -0.196 0.000 0.281 856 R C 0.012 176.546 176.300 0.390 0.000 0.969 856 R CA 1.303 57.523 56.100 0.200 0.000 1.093 856 R CB -0.028 30.253 30.300 -0.033 0.000 0.917 856 R HN 0.866 nan 8.270 nan 0.000 0.408 857 G N 1.291 110.387 108.800 0.492 0.000 2.357 857 G HA2 0.153 3.996 3.960 -0.196 0.000 0.289 857 G HA3 0.153 3.996 3.960 -0.196 0.000 0.289 857 G C -1.779 173.220 174.900 0.166 0.000 1.302 857 G CA -0.461 44.788 45.100 0.248 0.000 0.936 857 G HN 0.567 nan 8.290 nan 0.000 0.513 858 V N 0.509 120.274 119.914 -0.247 0.000 2.531 858 V HA 0.734 4.737 4.120 -0.196 0.000 0.301 858 V C -1.245 174.774 176.094 -0.125 0.000 1.034 858 V CA -0.700 61.556 62.300 -0.074 0.000 0.865 858 V CB 1.268 32.984 31.823 -0.178 0.000 0.995 858 V HN 0.698 nan 8.190 nan 0.000 0.424 859 Y N 1.353 121.736 120.300 0.138 0.000 2.462 859 Y HA 0.737 5.169 4.550 -0.196 0.000 0.346 859 Y C 0.343 176.362 175.900 0.198 0.000 0.976 859 Y CA -0.889 57.333 58.100 0.202 0.000 1.044 859 Y CB 2.613 41.236 38.460 0.271 0.000 1.230 859 Y HN 0.540 nan 8.280 nan 0.000 0.455 860 T N 4.562 119.304 114.554 0.314 0.000 2.879 860 T HA 0.701 4.933 4.350 -0.196 0.000 0.290 860 T C -0.795 174.061 174.700 0.259 0.000 0.993 860 T CA -0.488 61.783 62.100 0.285 0.000 0.975 860 T CB 0.721 69.695 68.868 0.178 0.000 0.981 860 T HN 0.400 nan 8.240 nan 0.000 0.439 861 I N 2.392 123.171 120.570 0.347 0.000 2.533 861 I HA 0.532 4.584 4.170 -0.196 0.000 0.290 861 I C -0.193 176.218 176.117 0.490 0.000 1.056 861 I CA -0.870 60.624 61.300 0.323 0.000 1.057 861 I CB 2.396 40.517 38.000 0.201 0.000 1.240 861 I HN 0.294 nan 8.210 nan 0.000 0.423 862 R N 5.225 125.930 120.500 0.342 0.000 2.562 862 R HA 0.447 4.669 4.340 -0.196 0.000 0.298 862 R C -0.926 175.556 176.300 0.303 0.000 0.961 862 R CA -0.840 55.451 56.100 0.320 0.000 0.881 862 R CB 1.902 32.295 30.300 0.154 0.000 1.159 862 R HN 0.535 nan 8.270 nan 0.000 0.450 863 K N 3.117 123.710 120.400 0.322 0.000 2.262 863 K HA 0.131 4.333 4.320 -0.196 0.000 0.282 863 K C -1.013 175.569 176.600 -0.029 0.000 1.066 863 K CA -0.128 56.168 56.287 0.014 0.000 0.901 863 K CB 0.927 33.517 32.500 0.150 0.000 1.089 863 K HN 0.545 nan 8.250 nan 0.000 0.476 864 E N 3.407 123.552 120.200 -0.092 0.000 2.173 864 E HA 0.216 4.449 4.350 -0.196 0.000 0.249 864 E C 0.367 176.933 176.600 -0.057 0.000 0.923 864 E CA -0.271 56.101 56.400 -0.046 0.000 0.754 864 E CB 1.269 30.957 29.700 -0.020 0.000 1.177 864 E HN 0.987 nan 8.360 nan 0.000 0.430 865 G N 3.752 112.529 108.800 -0.039 0.000 2.557 865 G HA2 -0.368 3.475 3.960 -0.196 0.000 0.292 865 G HA3 -0.368 3.475 3.960 -0.196 0.000 0.292 865 G C 0.576 175.450 174.900 -0.043 0.000 1.162 865 G CA 0.338 45.423 45.100 -0.024 0.000 0.964 865 G HN 0.573 nan 8.290 nan 0.000 0.541 866 D N 1.666 122.051 120.400 -0.025 0.000 2.360 866 D HA 0.201 4.723 4.640 -0.196 0.000 0.210 866 D C 0.991 177.279 176.300 -0.021 0.000 1.047 866 D CA 0.513 54.510 54.000 -0.004 0.000 0.854 866 D CB 0.379 41.206 40.800 0.046 0.000 0.936 866 D HN 0.377 nan 8.370 nan 0.000 0.514 867 E N -0.189 119.974 120.200 -0.063 0.000 2.243 867 E HA 0.307 4.539 4.350 -0.196 0.000 0.260 867 E C -0.972 175.523 176.600 -0.176 0.000 0.985 867 E CA -0.581 55.811 56.400 -0.013 0.000 0.858 867 E CB 1.538 31.270 29.700 0.052 0.000 1.210 867 E HN -0.026 nan 8.360 nan 0.000 0.411 868 Y N 0.436 120.745 120.300 0.013 0.000 2.376 868 Y HA 0.300 4.733 4.550 -0.196 0.000 0.340 868 Y C 0.432 176.245 175.900 -0.145 0.000 0.965 868 Y CA -0.690 57.367 58.100 -0.072 0.000 1.078 868 Y CB 1.580 39.916 38.460 -0.206 0.000 1.193 868 Y HN -0.023 nan 8.280 nan 0.000 0.452 869 K N 4.551 124.969 120.400 0.030 0.000 2.183 869 K HA 0.605 4.808 4.320 -0.196 0.000 0.274 869 K C -1.172 175.397 176.600 -0.052 0.000 1.009 869 K CA -0.552 55.728 56.287 -0.012 0.000 0.888 869 K CB 1.659 34.171 32.500 0.021 0.000 1.078 869 K HN 0.602 nan 8.250 nan 0.000 0.459 870 I N 1.817 122.328 120.570 -0.099 0.000 2.478 870 I HA 0.256 4.309 4.170 -0.196 0.000 0.287 870 I C -0.667 175.443 176.117 -0.012 0.000 1.042 870 I CA -0.564 60.664 61.300 -0.121 0.000 1.067 870 I CB 2.063 39.884 38.000 -0.299 0.000 1.233 870 I HN 0.548 nan 8.210 nan 0.000 0.431 871 A N 6.298 129.147 122.820 0.048 0.000 2.293 871 A HA 0.581 4.783 4.320 -0.196 0.000 0.312 871 A C -1.433 176.193 177.584 0.070 0.000 1.309 871 A CA -0.373 51.695 52.037 0.052 0.000 0.839 871 A CB 0.311 19.331 19.000 0.035 0.000 1.155 871 A HN 0.639 nan 8.150 nan 0.000 0.501 872 Y N 2.669 122.918 120.300 -0.085 0.000 2.377 872 Y HA 0.634 5.067 4.550 -0.196 0.000 0.339 872 Y C -1.623 174.235 175.900 -0.070 0.000 1.011 872 Y CA -1.142 56.825 58.100 -0.222 0.000 1.093 872 Y CB 1.398 39.660 38.460 -0.329 0.000 1.201 872 Y HN 0.612 nan 8.280 nan 0.000 0.455 873 Y N 6.040 125.629 120.300 -1.186 0.000 2.386 873 Y HA 0.354 4.787 4.550 -0.196 0.000 0.334 873 Y C -1.297 173.992 175.900 -1.017 0.000 1.002 873 Y CA -1.608 55.981 58.100 -0.851 0.000 1.068 873 Y CB 1.394 39.584 38.460 -0.449 0.000 1.203 873 Y HN 0.786 nan 8.280 nan 0.000 0.443 874 N N 7.854 125.883 118.700 -1.118 0.000 2.500 874 N HA 0.302 4.924 4.740 -0.196 0.000 0.236 874 N C -2.153 172.756 175.510 -1.001 0.000 1.022 874 N CA -1.950 50.661 53.050 -0.731 0.000 0.935 874 N CB 1.311 39.667 38.487 -0.218 0.000 1.147 874 N HN 0.335 nan 8.380 nan 0.000 0.512 875 P HA -0.100 nan 4.420 nan 0.000 0.221 875 P C 0.357 177.455 177.300 -0.336 0.000 1.150 875 P CA 1.087 63.721 63.100 -0.778 0.000 0.800 875 P CB 0.332 31.647 31.700 -0.640 0.000 0.787 876 E N -0.774 119.334 120.200 -0.153 0.000 2.072 876 E HA -0.100 4.133 4.350 -0.196 0.000 0.190 876 E C 1.763 178.334 176.600 -0.050 0.000 0.982 876 E CA 1.848 58.232 56.400 -0.027 0.000 0.803 876 E CB -0.443 29.293 29.700 0.060 0.000 0.755 876 E HN 0.368 nan 8.360 nan 0.000 0.453 877 T N -2.393 112.111 114.554 -0.084 0.000 3.051 877 T HA 0.010 4.243 4.350 -0.196 0.000 0.255 877 T C 0.561 175.227 174.700 -0.057 0.000 1.085 877 T CA -0.045 62.026 62.100 -0.049 0.000 1.109 877 T CB 0.233 69.083 68.868 -0.031 0.000 0.921 877 T HN 0.055 nan 8.240 nan 0.000 0.488 878 Q N 0.670 120.374 119.800 -0.161 0.000 2.464 878 Q HA -0.117 4.105 4.340 -0.196 0.000 0.286 878 Q C -0.994 175.049 176.000 0.073 0.000 1.343 878 Q CA 0.480 56.250 55.803 -0.055 0.000 0.772 878 Q CB -1.774 27.012 28.738 0.080 0.000 1.160 878 Q HN 0.737 nan 8.270 nan 0.000 0.422 879 E N -0.346 119.823 120.200 -0.052 0.000 2.314 879 E HA 0.494 4.726 4.350 -0.196 0.000 0.272 879 E C -0.630 176.020 176.600 0.084 0.000 0.884 879 E CA -0.314 56.123 56.400 0.061 0.000 0.753 879 E CB 2.210 31.935 29.700 0.043 0.000 1.213 879 E HN 0.145 nan 8.360 nan 0.000 0.432 880 S N 1.000 116.802 115.700 0.169 0.000 2.549 880 S HA 0.778 5.131 4.470 -0.196 0.000 0.260 880 S C -0.651 174.103 174.600 0.256 0.000 1.217 880 S CA 0.249 58.579 58.200 0.216 0.000 1.001 880 S CB 0.685 63.987 63.200 0.169 0.000 1.059 880 S HN 0.585 nan 8.310 nan 0.000 0.537 881 A N 0.844 123.812 122.820 0.247 0.000 2.594 881 A HA 0.634 4.836 4.320 -0.196 0.000 0.296 881 A C -3.051 174.559 177.584 0.044 0.000 1.056 881 A CA -1.251 50.851 52.037 0.108 0.000 0.693 881 A CB 0.272 19.284 19.000 0.020 0.000 1.278 881 A HN 0.583 nan 8.150 nan 0.000 0.408 882 P HA 0.024 nan 4.420 nan 0.000 0.263 882 P C 0.032 177.323 177.300 -0.016 0.000 1.168 882 P CA 0.329 63.433 63.100 0.006 0.000 0.759 882 P CB 0.489 32.191 31.700 0.003 0.000 0.782 883 D N 2.461 122.860 120.400 -0.002 0.000 2.149 883 D HA -0.218 4.305 4.640 -0.196 0.000 0.194 883 D C 1.784 178.109 176.300 0.043 0.000 1.001 883 D CA 1.486 55.489 54.000 0.006 0.000 0.849 883 D CB -0.206 40.595 40.800 0.002 0.000 0.939 883 D HN 0.566 nan 8.370 nan 0.000 0.449 884 Q N 1.210 121.029 119.800 0.032 0.000 2.435 884 Q HA -0.096 4.127 4.340 -0.196 0.000 0.207 884 Q C 1.388 177.389 176.000 0.002 0.000 0.956 884 Q CA 0.935 56.758 55.803 0.033 0.000 0.917 884 Q CB -0.261 28.491 28.738 0.024 0.000 0.997 884 Q HN 0.373 nan 8.270 nan 0.000 0.497 885 E N 0.546 120.730 120.200 -0.026 0.000 2.216 885 E HA -0.065 4.167 4.350 -0.196 0.000 0.192 885 E C 1.786 178.335 176.600 -0.085 0.000 0.988 885 E CA 1.381 57.746 56.400 -0.057 0.000 0.834 885 E CB 0.472 30.125 29.700 -0.078 0.000 0.772 885 E HN 0.411 nan 8.360 nan 0.000 0.479 886 V N -2.870 116.993 119.914 -0.085 0.000 3.548 886 V HA 0.319 4.321 4.120 -0.196 0.000 0.279 886 V C -0.040 176.148 176.094 0.157 0.000 1.446 886 V CA -0.398 61.866 62.300 -0.060 0.000 1.023 886 V CB 0.206 31.786 31.823 -0.406 0.000 0.820 886 V HN 0.034 nan 8.190 nan 0.000 0.438 887 F N 1.223 121.135 119.950 -0.063 0.000 2.591 887 F HA 0.765 5.174 4.527 -0.196 0.000 0.309 887 F C -0.796 174.940 175.800 -0.107 0.000 1.098 887 F CA -0.860 57.082 58.000 -0.096 0.000 0.937 887 F CB 1.964 40.889 39.000 -0.127 0.000 1.250 887 F HN -0.042 nan 8.300 nan 0.000 0.447 888 K N 4.913 124.847 120.400 -0.776 0.000 2.615 888 K HA 0.356 4.559 4.320 -0.196 0.000 0.249 888 K C -1.434 174.692 176.600 -0.789 0.000 0.977 888 K CA -0.828 55.121 56.287 -0.565 0.000 0.833 888 K CB 1.399 33.731 32.500 -0.279 0.000 1.208 888 K HN 0.641 nan 8.250 nan 0.000 0.443 889 K N 2.060 122.111 120.400 -0.580 0.000 2.414 889 K HA 0.207 4.409 4.320 -0.196 0.000 0.272 889 K C 0.858 177.339 176.600 -0.198 0.000 0.993 889 K CA -0.156 55.919 56.287 -0.354 0.000 0.964 889 K CB 0.132 32.598 32.500 -0.056 0.000 0.925 889 K HN 0.418 nan 8.250 nan 0.000 0.487 890 L N 0.000 121.140 121.223 -0.139 0.000 2.949 890 L HA 0.000 4.223 4.340 -0.196 0.000 0.249 890 L CA 0.000 54.784 54.840 -0.094 0.000 0.813 890 L CB 0.000 42.005 42.059 -0.091 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502