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 1n7p_1_A DATA FIRST_RESID 170 DATA SEQUENCE VKDTYTDRLD DWNGIIAGNQ YYDSKNDQMA KLNQELEGKV ADSLSSISSQ DATA SEQUENCE ADRIYLWEKF SNYKTSANLT ATYRKLEEMA KQVTNPSSRY YQDETVVRTV DATA SEQUENCE RDSMEWMHKH VYNSEKSIVG NWADYEIGTP 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 0.000 176.110 176.094 0.026 0.000 1.182 170 V CA 0.000 62.310 62.300 0.017 0.000 1.235 170 V CB 0.000 31.833 31.823 0.016 0.000 1.184 171 K N -0.457 119.961 120.400 0.029 0.000 2.315 171 K HA 0.749 4.941 4.320 -0.213 0.000 0.264 171 K C -1.788 174.834 176.600 0.037 0.000 0.928 171 K CA 0.402 56.716 56.287 0.045 0.000 0.768 171 K CB 1.816 34.348 32.500 0.053 0.000 1.477 171 K HN 1.276 nan 8.250 nan 0.000 0.363 172 D N -2.511 117.916 120.400 0.045 0.000 2.895 172 D HA 0.174 4.686 4.640 -0.213 0.000 0.320 172 D C 0.715 176.989 176.300 -0.043 0.000 1.249 172 D CA -0.129 53.872 54.000 0.002 0.000 0.997 172 D CB -0.184 40.633 40.800 0.027 0.000 1.430 172 D HN 0.421 nan 8.370 nan 0.000 0.558 173 T N -3.126 111.327 114.554 -0.168 0.000 2.962 173 T HA -0.133 4.090 4.350 -0.213 0.000 0.270 173 T C 1.361 175.954 174.700 -0.177 0.000 1.088 173 T CA 0.988 62.970 62.100 -0.197 0.000 1.127 173 T CB -0.714 67.990 68.868 -0.275 0.000 0.883 173 T HN 0.376 nan 8.240 nan 0.000 0.493 174 Y N 2.821 123.132 120.300 0.019 0.000 2.200 174 Y HA -0.032 4.387 4.550 -0.217 0.000 0.290 174 Y C 3.229 179.147 175.900 0.029 0.000 1.137 174 Y CA 1.281 59.391 58.100 0.017 0.000 1.163 174 Y CB -1.281 37.186 38.460 0.011 0.000 0.988 174 Y HN 0.468 nan 8.280 nan 0.000 0.518 175 T N -3.024 111.636 114.554 0.176 0.000 2.951 175 T HA -0.113 4.109 4.350 -0.213 0.000 0.268 175 T C 1.384 176.143 174.700 0.098 0.000 1.073 175 T CA 1.284 63.461 62.100 0.128 0.000 1.134 175 T CB -0.316 68.615 68.868 0.106 0.000 0.884 175 T HN 0.146 nan 8.240 nan 0.000 0.479 176 D N 1.243 121.682 120.400 0.066 0.000 2.144 176 D HA -0.040 4.472 4.640 -0.213 0.000 0.199 176 D C 2.448 178.795 176.300 0.079 0.000 0.984 176 D CA 0.771 54.803 54.000 0.054 0.000 0.834 176 D CB -0.140 40.672 40.800 0.020 0.000 0.955 176 D HN 0.285 nan 8.370 nan 0.000 0.465 177 R N 0.250 120.801 120.500 0.086 0.000 2.092 177 R HA 0.030 4.242 4.340 -0.213 0.000 0.231 177 R C 2.548 178.946 176.300 0.163 0.000 1.119 177 R CA 0.283 56.448 56.100 0.109 0.000 0.970 177 R CB -0.798 29.557 30.300 0.092 0.000 0.864 177 R HN 0.301 nan 8.270 nan 0.000 0.440 178 L N 0.814 122.134 121.223 0.163 0.000 2.141 178 L HA -0.147 4.065 4.340 -0.213 0.000 0.209 178 L C 1.816 178.823 176.870 0.228 0.000 1.094 178 L CA 0.977 55.947 54.840 0.217 0.000 0.763 178 L CB -0.395 41.768 42.059 0.173 0.000 0.908 178 L HN 0.037 nan 8.230 nan 0.000 0.437 179 D N 0.209 120.705 120.400 0.160 0.000 2.097 179 D HA -0.189 4.324 4.640 -0.213 0.000 0.195 179 D C 1.755 178.141 176.300 0.143 0.000 0.989 179 D CA 1.288 55.365 54.000 0.129 0.000 0.827 179 D CB -0.151 40.701 40.800 0.087 0.000 0.966 179 D HN 0.269 nan 8.370 nan 0.000 0.456 180 D N -0.259 120.238 120.400 0.162 0.000 2.117 180 D HA -0.144 4.369 4.640 -0.213 0.000 0.197 180 D C 1.854 178.295 176.300 0.235 0.000 0.987 180 D CA 0.455 54.560 54.000 0.176 0.000 0.829 180 D CB -0.449 40.450 40.800 0.165 0.000 0.961 180 D HN 0.405 nan 8.370 nan 0.000 0.460 181 W N 1.609 122.949 121.300 0.068 0.000 2.358 181 W HA -0.183 4.345 4.660 -0.220 0.000 0.303 181 W C 1.403 177.963 176.519 0.067 0.000 1.208 181 W CA 0.760 58.143 57.345 0.064 0.000 1.274 181 W CB -0.033 29.462 29.460 0.058 0.000 1.138 181 W HN -0.054 nan 8.180 nan 0.000 0.515 182 N N 0.443 119.213 118.700 0.117 0.000 2.166 182 N HA -0.120 4.492 4.740 -0.213 0.000 0.186 182 N C 1.914 177.417 175.510 -0.011 0.000 1.019 182 N CA 1.891 54.945 53.050 0.007 0.000 0.856 182 N CB -1.283 37.257 38.487 0.089 0.000 0.993 182 N HN 0.257 nan 8.380 nan 0.000 0.426 183 G N 0.345 109.180 108.800 0.058 0.000 2.443 183 G HA2 -0.103 3.729 3.960 -0.213 0.000 0.219 183 G HA3 -0.103 3.729 3.960 -0.213 0.000 0.219 183 G C 1.603 176.583 174.900 0.133 0.000 1.131 183 G CA 0.258 45.448 45.100 0.150 0.000 0.775 183 G HN 0.267 nan 8.290 nan 0.000 0.547 184 I N 0.746 121.295 120.570 -0.034 0.000 2.429 184 I HA 0.075 4.117 4.170 -0.213 0.000 0.247 184 I C 2.489 178.429 176.117 -0.296 0.000 1.099 184 I CA 0.565 61.777 61.300 -0.147 0.000 1.422 184 I CB -0.005 37.899 38.000 -0.160 0.000 1.112 184 I HN 0.262 nan 8.210 nan 0.000 0.430 185 I N -1.927 118.350 120.570 -0.487 0.000 3.251 185 I HA 0.193 4.235 4.170 -0.213 0.000 0.277 185 I C 1.815 177.761 176.117 -0.284 0.000 1.268 185 I CA 1.039 62.042 61.300 -0.495 0.000 1.449 185 I CB -0.038 37.507 38.000 -0.759 0.000 1.083 185 I HN 0.063 nan 8.210 nan 0.000 0.464 186 A N 0.942 123.648 122.820 -0.191 0.000 1.773 186 A HA 0.555 4.747 4.320 -0.213 0.000 0.210 186 A C 1.753 179.314 177.584 -0.038 0.000 1.775 186 A CA 0.613 52.566 52.037 -0.139 0.000 1.157 186 A CB -0.255 18.706 19.000 -0.064 0.000 1.119 186 A HN 0.743 nan 8.150 nan 0.000 0.501 187 G N 0.770 109.642 108.800 0.120 0.000 2.182 187 G HA2 -0.264 3.568 3.960 -0.213 0.000 0.248 187 G HA3 -0.264 3.568 3.960 -0.213 0.000 0.248 187 G C 0.451 175.625 174.900 0.458 0.000 1.042 187 G CA 0.626 45.949 45.100 0.372 0.000 0.775 187 G HN 0.357 nan 8.290 nan 0.000 0.501 188 N N 0.470 119.350 118.700 0.300 0.000 2.205 188 N HA -0.141 4.472 4.740 -0.213 0.000 0.186 188 N C 2.467 178.031 175.510 0.089 0.000 1.015 188 N CA 1.719 54.918 53.050 0.248 0.000 0.862 188 N CB -0.269 38.303 38.487 0.142 0.000 0.986 188 N HN 0.951 nan 8.380 nan 0.000 0.429 189 Q N -0.394 119.367 119.800 -0.066 0.000 2.297 189 Q HA -0.159 4.054 4.340 -0.213 0.000 0.208 189 Q C 0.638 176.457 176.000 -0.302 0.000 0.981 189 Q CA 1.332 56.983 55.803 -0.254 0.000 0.876 189 Q CB -0.356 28.125 28.738 -0.429 0.000 0.921 189 Q HN 0.463 nan 8.270 nan 0.000 0.446 190 Y N -1.121 119.231 120.300 0.086 0.000 2.457 190 Y HA 0.176 4.600 4.550 -0.209 0.000 0.263 190 Y C 0.243 176.126 175.900 -0.028 0.000 1.164 190 Y CA -1.002 57.125 58.100 0.046 0.000 1.274 190 Y CB -0.090 38.421 38.460 0.086 0.000 1.097 190 Y HN 0.117 nan 8.280 nan 0.000 0.523 191 Y N 2.461 122.704 120.300 -0.094 0.000 2.597 191 Y HA 0.198 4.622 4.550 -0.211 0.000 0.336 191 Y C -0.193 175.573 175.900 -0.224 0.000 1.216 191 Y CA -0.240 57.635 58.100 -0.375 0.000 1.463 191 Y CB 0.410 38.532 38.460 -0.563 0.000 1.303 191 Y HN 0.062 nan 8.280 nan 0.000 0.576 192 D N 2.990 122.773 120.400 -1.028 0.000 2.602 192 D HA 0.126 4.639 4.640 -0.213 0.000 0.245 192 D C 0.293 176.049 176.300 -0.907 0.000 1.325 192 D CA -0.018 53.585 54.000 -0.661 0.000 0.952 192 D CB 1.281 41.864 40.800 -0.362 0.000 1.317 192 D HN 0.532 nan 8.370 nan 0.000 0.577 193 S N 3.452 118.812 115.700 -0.566 0.000 2.447 193 S HA -0.105 4.237 4.470 -0.213 0.000 0.233 193 S C 1.348 175.815 174.600 -0.222 0.000 1.006 193 S CA 0.498 58.515 58.200 -0.305 0.000 0.957 193 S CB -0.001 63.183 63.200 -0.027 0.000 0.773 193 S HN 0.327 nan 8.310 nan 0.000 0.507 194 K N 1.869 122.139 120.400 -0.217 0.000 2.487 194 K HA 0.211 4.403 4.320 -0.213 0.000 0.192 194 K C 0.285 176.782 176.600 -0.172 0.000 1.027 194 K CA -0.012 56.181 56.287 -0.155 0.000 1.054 194 K CB -0.509 31.919 32.500 -0.121 0.000 0.824 194 K HN 0.414 nan 8.250 nan 0.000 0.510 195 N N 2.128 120.682 118.700 -0.243 0.000 2.420 195 N HA -0.026 4.586 4.740 -0.213 0.000 0.249 195 N C 0.243 175.633 175.510 -0.200 0.000 1.033 195 N CA 0.168 53.083 53.050 -0.224 0.000 0.944 195 N CB 1.245 39.571 38.487 -0.268 0.000 1.113 195 N HN -0.113 nan 8.380 nan 0.000 0.502 196 D N 2.028 122.328 120.400 -0.167 0.000 2.116 196 D HA -0.177 4.335 4.640 -0.213 0.000 0.193 196 D C 1.390 177.601 176.300 -0.149 0.000 0.998 196 D CA 1.589 55.503 54.000 -0.143 0.000 0.836 196 D CB 0.479 41.190 40.800 -0.149 0.000 0.951 196 D HN 0.557 nan 8.370 nan 0.000 0.449 197 Q N -0.679 118.985 119.800 -0.227 0.000 2.079 197 Q HA -0.042 4.170 4.340 -0.213 0.000 0.200 197 Q C 2.411 178.378 176.000 -0.055 0.000 0.974 197 Q CA 0.776 56.431 55.803 -0.246 0.000 0.840 197 Q CB -0.310 28.072 28.738 -0.595 0.000 0.898 197 Q HN 0.472 nan 8.270 nan 0.000 0.430 198 M N -0.103 119.475 119.600 -0.037 0.000 2.117 198 M HA -0.113 4.239 4.480 -0.213 0.000 0.262 198 M C 2.243 178.688 176.300 0.240 0.000 1.065 198 M CA 1.485 56.862 55.300 0.130 0.000 1.114 198 M CB -0.416 32.094 32.600 -0.150 0.000 1.361 198 M HN 0.140 nan 8.290 nan 0.000 0.408 199 A N 0.221 123.084 122.820 0.072 0.000 1.972 199 A HA -0.192 4.000 4.320 -0.213 0.000 0.219 199 A C 2.127 179.790 177.584 0.131 0.000 1.169 199 A CA 1.754 53.883 52.037 0.153 0.000 0.635 199 A CB -0.569 18.454 19.000 0.037 0.000 0.810 199 A HN 0.417 nan 8.150 nan 0.000 0.446 200 K N -1.060 119.387 120.400 0.079 0.000 2.057 200 K HA -0.098 4.094 4.320 -0.213 0.000 0.206 200 K C 1.889 178.547 176.600 0.096 0.000 1.050 200 K CA 1.365 57.687 56.287 0.059 0.000 0.935 200 K CB -0.233 32.276 32.500 0.015 0.000 0.715 200 K HN 0.404 nan 8.250 nan 0.000 0.439 201 L N 1.793 123.113 121.223 0.161 0.000 2.072 201 L HA -0.149 4.064 4.340 -0.213 0.000 0.205 201 L C 1.857 178.837 176.870 0.183 0.000 1.079 201 L CA 1.705 56.639 54.840 0.158 0.000 0.752 201 L CB -0.811 41.357 42.059 0.183 0.000 0.906 201 L HN 0.255 nan 8.230 nan 0.000 0.436 202 N N -0.877 118.003 118.700 0.300 0.000 2.104 202 N HA -0.289 4.323 4.740 -0.213 0.000 0.190 202 N C 1.901 177.463 175.510 0.088 0.000 1.024 202 N CA 1.532 54.687 53.050 0.174 0.000 0.853 202 N CB 0.020 38.532 38.487 0.043 0.000 1.008 202 N HN 0.421 nan 8.380 nan 0.000 0.424 203 Q N 1.372 121.223 119.800 0.085 0.000 2.119 203 Q HA -0.105 4.107 4.340 -0.213 0.000 0.201 203 Q C 1.770 177.797 176.000 0.045 0.000 0.972 203 Q CA 1.390 57.225 55.803 0.053 0.000 0.847 203 Q CB -0.284 28.480 28.738 0.042 0.000 0.903 203 Q HN 0.479 nan 8.270 nan 0.000 0.433 204 E N -0.617 119.609 120.200 0.043 0.000 2.058 204 E HA -0.194 4.029 4.350 -0.213 0.000 0.194 204 E C 1.764 178.374 176.600 0.017 0.000 0.997 204 E CA 1.161 57.575 56.400 0.023 0.000 0.801 204 E CB -0.141 29.567 29.700 0.015 0.000 0.746 204 E HN 0.399 nan 8.360 nan 0.000 0.450 205 L N 0.847 122.086 121.223 0.026 0.000 2.093 205 L HA -0.150 4.062 4.340 -0.213 0.000 0.208 205 L C 2.618 179.521 176.870 0.054 0.000 1.085 205 L CA 0.852 55.703 54.840 0.017 0.000 0.755 205 L CB -0.346 41.723 42.059 0.016 0.000 0.904 205 L HN 0.128 nan 8.230 nan 0.000 0.435 206 E N 0.295 120.551 120.200 0.094 0.000 2.070 206 E HA -0.207 4.016 4.350 -0.213 0.000 0.197 206 E C 2.166 178.859 176.600 0.154 0.000 1.004 206 E CA 1.560 58.067 56.400 0.179 0.000 0.805 206 E CB -0.498 29.266 29.700 0.107 0.000 0.744 206 E HN 0.542 nan 8.360 nan 0.000 0.451 207 G N 1.506 110.352 108.800 0.076 0.000 2.418 207 G HA2 -0.269 3.563 3.960 -0.213 0.000 0.217 207 G HA3 -0.269 3.563 3.960 -0.213 0.000 0.217 207 G C 1.620 176.532 174.900 0.019 0.000 1.158 207 G CA 0.887 46.016 45.100 0.049 0.000 0.771 207 G HN 0.228 nan 8.290 nan 0.000 0.545 208 K N -0.058 120.337 120.400 -0.009 0.000 2.057 208 K HA -0.019 4.173 4.320 -0.213 0.000 0.207 208 K C 2.554 179.105 176.600 -0.082 0.000 1.049 208 K CA 1.111 57.365 56.287 -0.055 0.000 0.931 208 K CB -0.331 32.123 32.500 -0.078 0.000 0.714 208 K HN 0.197 nan 8.250 nan 0.000 0.440 209 V N 1.393 121.257 119.914 -0.084 0.000 2.358 209 V HA -0.255 3.737 4.120 -0.213 0.000 0.246 209 V C 2.356 178.340 176.094 -0.182 0.000 1.047 209 V CA 1.977 64.159 62.300 -0.197 0.000 1.035 209 V CB -0.694 30.916 31.823 -0.354 0.000 0.658 209 V HN 0.373 nan 8.190 nan 0.000 0.452 210 A N 0.070 122.870 122.820 -0.034 0.000 1.892 210 A HA -0.301 3.891 4.320 -0.213 0.000 0.218 210 A C 2.009 179.610 177.584 0.029 0.000 1.188 210 A CA 2.284 54.360 52.037 0.065 0.000 0.631 210 A CB -0.737 18.350 19.000 0.145 0.000 0.822 210 A HN 0.543 nan 8.150 nan 0.000 0.447 211 D N -0.220 120.187 120.400 0.011 0.000 2.097 211 D HA -0.081 4.431 4.640 -0.213 0.000 0.195 211 D C 2.336 178.660 176.300 0.040 0.000 0.989 211 D CA 1.651 55.658 54.000 0.012 0.000 0.827 211 D CB -0.412 40.378 40.800 -0.017 0.000 0.966 211 D HN 0.398 nan 8.370 nan 0.000 0.456 212 S N 0.232 115.937 115.700 0.007 0.000 2.368 212 S HA -0.037 4.306 4.470 -0.213 0.000 0.224 212 S C 2.182 176.984 174.600 0.335 0.000 1.029 212 S CA 0.405 58.678 58.200 0.123 0.000 0.988 212 S CB -0.143 63.017 63.200 -0.067 0.000 0.838 212 S HN 0.239 nan 8.310 nan 0.000 0.462 213 L N 1.677 122.968 121.223 0.113 0.000 2.141 213 L HA -0.055 4.157 4.340 -0.213 0.000 0.209 213 L C 2.414 179.315 176.870 0.052 0.000 1.094 213 L CA 1.281 56.154 54.840 0.056 0.000 0.763 213 L CB -0.493 41.542 42.059 -0.040 0.000 0.908 213 L HN 0.414 nan 8.230 nan 0.000 0.437 214 S N -2.150 113.591 115.700 0.067 0.000 2.593 214 S HA -0.007 4.336 4.470 -0.213 0.000 0.217 214 S C 1.413 176.037 174.600 0.040 0.000 0.966 214 S CA 0.433 58.658 58.200 0.041 0.000 0.914 214 S CB 0.086 63.309 63.200 0.039 0.000 0.776 214 S HN 0.450 nan 8.310 nan 0.000 0.523 215 S N -0.260 115.498 115.700 0.096 0.000 2.744 215 S HA 0.386 4.728 4.470 -0.213 0.000 0.265 215 S C 0.201 174.755 174.600 -0.077 0.000 1.065 215 S CA -0.543 57.710 58.200 0.089 0.000 1.191 215 S CB -0.586 62.741 63.200 0.212 0.000 1.150 215 S HN 0.502 nan 8.310 nan 0.000 0.646 216 I N 2.993 123.434 120.570 -0.215 0.000 2.813 216 I HA 0.199 4.241 4.170 -0.213 0.000 0.287 216 I C -0.217 175.588 176.117 -0.520 0.000 1.196 216 I CA 0.193 60.995 61.300 -0.832 0.000 1.421 216 I CB 1.137 38.684 38.000 -0.755 0.000 1.365 216 I HN 0.176 nan 8.210 nan 0.000 0.591 217 S N 4.577 119.928 115.700 -0.582 0.000 2.562 217 S HA 0.434 4.777 4.470 -0.213 0.000 0.275 217 S C -0.446 173.968 174.600 -0.310 0.000 1.281 217 S CA -0.701 57.286 58.200 -0.355 0.000 1.045 217 S CB 1.307 64.343 63.200 -0.273 0.000 0.962 217 S HN 0.699 nan 8.310 nan 0.000 0.503 218 S N 2.197 117.778 115.700 -0.199 0.000 2.677 218 S HA 0.606 4.949 4.470 -0.213 0.000 0.304 218 S C -1.289 173.243 174.600 -0.113 0.000 1.108 218 S CA -1.121 56.985 58.200 -0.157 0.000 0.944 218 S CB 0.957 64.086 63.200 -0.117 0.000 1.127 218 S HN 0.682 nan 8.310 nan 0.000 0.511 219 Q N -0.360 119.387 119.800 -0.089 0.000 3.233 219 Q HA -0.165 4.047 4.340 -0.213 0.000 0.025 219 Q C 0.134 176.103 176.000 -0.052 0.000 1.709 219 Q CA 0.833 56.602 55.803 -0.057 0.000 0.241 219 Q CB -1.108 27.607 28.738 -0.039 0.000 0.585 219 Q HN 2.140 nan 8.270 nan 0.000 0.322 220 A N 2.436 125.240 122.820 -0.027 0.000 2.303 220 A HA -0.187 4.006 4.320 -0.213 0.000 0.286 220 A C 0.141 177.724 177.584 -0.001 0.000 1.429 220 A CA 1.094 53.128 52.037 -0.005 0.000 0.738 220 A CB -1.292 17.707 19.000 -0.002 0.000 1.149 220 A HN 0.806 nan 8.150 nan 0.000 0.364 221 D N -0.639 119.770 120.400 0.015 0.000 3.091 221 D HA -0.160 4.352 4.640 -0.213 0.000 0.201 221 D C 1.121 177.481 176.300 0.100 0.000 1.248 221 D CA 1.803 55.851 54.000 0.079 0.000 0.609 221 D CB -0.320 40.591 40.800 0.186 0.000 0.970 221 D HN 1.015 nan 8.370 nan 0.000 0.396 222 R N 0.249 120.709 120.500 -0.068 0.000 2.906 222 R HA -0.104 4.109 4.340 -0.213 0.000 0.284 222 R C 1.755 178.071 176.300 0.026 0.000 0.964 222 R CA 0.615 56.664 56.100 -0.086 0.000 1.151 222 R CB -0.465 29.749 30.300 -0.143 0.000 1.082 222 R HN 0.485 nan 8.270 nan 0.000 0.473 223 I N -2.803 117.675 120.570 -0.153 0.000 3.684 223 I HA 0.233 4.275 4.170 -0.213 0.000 0.304 223 I C -0.369 175.796 176.117 0.080 0.000 1.278 223 I CA 0.030 61.295 61.300 -0.057 0.000 1.272 223 I CB -0.272 37.577 38.000 -0.252 0.000 1.029 223 I HN 0.562 nan 8.210 nan 0.000 0.458 224 Y N -2.393 117.881 120.300 -0.044 0.000 2.409 224 Y HA 0.420 4.842 4.550 -0.214 0.000 0.321 224 Y C -0.228 175.408 175.900 -0.439 0.000 1.209 224 Y CA -1.331 56.708 58.100 -0.102 0.000 1.086 224 Y CB 0.423 38.902 38.460 0.033 0.000 1.320 224 Y HN -0.196 nan 8.280 nan 0.000 0.440 225 L N 1.190 122.211 121.223 -0.336 0.000 2.005 225 L HA 0.004 4.216 4.340 -0.213 0.000 0.207 225 L C 0.270 176.704 176.870 -0.726 0.000 1.072 225 L CA 1.473 55.911 54.840 -0.669 0.000 0.744 225 L CB 0.108 41.810 42.059 -0.595 0.000 0.895 225 L HN 0.586 nan 8.230 nan 0.000 0.433 226 W N -0.197 121.031 121.300 -0.121 0.000 2.587 226 W HA 0.184 4.713 4.660 -0.217 0.000 0.324 226 W C 1.122 177.476 176.519 -0.275 0.000 1.040 226 W CA -0.627 56.632 57.345 -0.143 0.000 1.222 226 W CB 1.410 30.907 29.460 0.062 0.000 1.381 226 W HN 0.053 nan 8.180 nan 0.000 0.483 227 E N 2.083 122.075 120.200 -0.346 0.000 2.077 227 E HA -0.179 4.043 4.350 -0.213 0.000 0.193 227 E C 1.348 177.806 176.600 -0.236 0.000 0.989 227 E CA 1.416 57.463 56.400 -0.588 0.000 0.800 227 E CB 0.297 29.664 29.700 -0.556 0.000 0.746 227 E HN 0.427 nan 8.360 nan 0.000 0.452 228 K N -0.896 119.365 120.400 -0.232 0.000 2.442 228 K HA -0.077 4.116 4.320 -0.213 0.000 0.198 228 K C 0.173 176.357 176.600 -0.693 0.000 1.042 228 K CA 0.534 56.533 56.287 -0.479 0.000 0.958 228 K CB 0.068 32.156 32.500 -0.687 0.000 0.766 228 K HN 0.030 nan 8.250 nan 0.000 0.474 229 F N -0.636 119.352 119.950 0.063 0.000 2.688 229 F HA 0.137 4.537 4.527 -0.211 0.000 0.376 229 F C 0.878 176.775 175.800 0.162 0.000 1.428 229 F CA -0.576 57.477 58.000 0.089 0.000 1.156 229 F CB 0.683 39.718 39.000 0.058 0.000 1.141 229 F HN -0.116 nan 8.300 nan 0.000 0.521 230 S N -1.842 114.016 115.700 0.264 0.000 2.497 230 S HA 0.033 4.375 4.470 -0.213 0.000 0.221 230 S C 0.808 175.618 174.600 0.350 0.000 1.037 230 S CA -0.112 58.306 58.200 0.363 0.000 0.920 230 S CB -0.201 63.278 63.200 0.465 0.000 0.800 230 S HN 0.284 nan 8.310 nan 0.000 0.505 231 N N 2.196 121.039 118.700 0.238 0.000 2.400 231 N HA 0.026 4.638 4.740 -0.213 0.000 0.278 231 N C 0.323 175.945 175.510 0.186 0.000 1.247 231 N CA -0.515 52.630 53.050 0.159 0.000 0.970 231 N CB -0.213 38.326 38.487 0.086 0.000 1.312 231 N HN 0.637 nan 8.380 nan 0.000 0.488 232 Y N 1.951 122.361 120.300 0.182 0.000 2.578 232 Y HA 0.242 4.665 4.550 -0.211 0.000 0.297 232 Y C 1.233 177.240 175.900 0.178 0.000 1.176 232 Y CA 0.364 58.576 58.100 0.187 0.000 1.315 232 Y CB 0.081 38.666 38.460 0.208 0.000 1.031 232 Y HN 0.268 nan 8.280 nan 0.000 0.524 233 K N 0.526 120.813 120.400 -0.189 0.000 2.296 233 K HA 0.046 4.239 4.320 -0.213 0.000 0.200 233 K C 0.137 176.773 176.600 0.059 0.000 1.048 233 K CA 0.833 57.074 56.287 -0.077 0.000 0.966 233 K CB 0.010 32.417 32.500 -0.154 0.000 0.754 233 K HN 0.203 nan 8.250 nan 0.000 0.466 234 T N 1.230 115.831 114.554 0.078 0.000 2.727 234 T HA 0.008 4.231 4.350 -0.213 0.000 0.295 234 T C 1.168 175.948 174.700 0.133 0.000 0.915 234 T CA -0.262 61.897 62.100 0.099 0.000 1.066 234 T CB 1.375 70.298 68.868 0.092 0.000 0.891 234 T HN 0.174 nan 8.240 nan 0.000 0.516 235 S N 2.989 118.771 115.700 0.137 0.000 2.423 235 S HA -0.098 4.244 4.470 -0.213 0.000 0.231 235 S C 2.354 176.964 174.600 0.018 0.000 1.014 235 S CA 0.485 58.760 58.200 0.126 0.000 0.965 235 S CB -0.403 62.919 63.200 0.203 0.000 0.785 235 S HN 0.755 nan 8.310 nan 0.000 0.495 236 A N 2.499 125.335 122.820 0.027 0.000 2.019 236 A HA -0.090 4.103 4.320 -0.213 0.000 0.219 236 A C 2.010 179.604 177.584 0.016 0.000 1.164 236 A CA 1.525 53.560 52.037 -0.003 0.000 0.644 236 A CB -1.022 17.993 19.000 0.024 0.000 0.805 236 A HN 0.753 nan 8.150 nan 0.000 0.449 237 N N -0.134 118.630 118.700 0.107 0.000 2.331 237 N HA -0.019 4.593 4.740 -0.213 0.000 0.180 237 N C 1.504 177.050 175.510 0.061 0.000 1.019 237 N CA 0.770 53.928 53.050 0.181 0.000 0.881 237 N CB -0.139 38.517 38.487 0.281 0.000 0.972 237 N HN 0.375 nan 8.380 nan 0.000 0.435 238 L N 0.439 121.671 121.223 0.015 0.000 1.994 238 L HA -0.148 4.065 4.340 -0.213 0.000 0.208 238 L C 2.805 179.646 176.870 -0.048 0.000 1.071 238 L CA 1.758 56.580 54.840 -0.030 0.000 0.745 238 L CB -1.525 40.413 42.059 -0.201 0.000 0.892 238 L HN 0.391 nan 8.230 nan 0.000 0.431 239 T N -1.807 112.665 114.554 -0.137 0.000 3.023 239 T HA 0.021 4.244 4.350 -0.213 0.000 0.266 239 T C 1.888 176.456 174.700 -0.220 0.000 1.093 239 T CA 0.877 62.888 62.100 -0.148 0.000 1.129 239 T CB 0.038 68.788 68.868 -0.196 0.000 0.899 239 T HN 0.272 nan 8.240 nan 0.000 0.491 240 A N 1.262 123.869 122.820 -0.355 0.000 1.930 240 A HA 0.026 4.218 4.320 -0.213 0.000 0.217 240 A C 2.596 179.749 177.584 -0.718 0.000 1.175 240 A CA 2.048 53.679 52.037 -0.676 0.000 0.627 240 A CB -1.387 16.863 19.000 -1.250 0.000 0.815 240 A HN 0.557 nan 8.150 nan 0.000 0.443 241 T N -1.260 112.995 114.554 -0.498 0.000 2.674 241 T HA -0.140 4.082 4.350 -0.213 0.000 0.265 241 T C 1.720 176.261 174.700 -0.266 0.000 1.039 241 T CA 1.833 63.739 62.100 -0.324 0.000 1.150 241 T CB -0.437 68.386 68.868 -0.075 0.000 0.864 241 T HN 0.547 nan 8.240 nan 0.000 0.427 242 Y N 1.205 121.406 120.300 -0.164 0.000 2.352 242 Y HA 0.044 4.464 4.550 -0.217 0.000 0.292 242 Y C 2.613 178.415 175.900 -0.164 0.000 1.136 242 Y CA 0.693 58.717 58.100 -0.125 0.000 1.227 242 Y CB -0.195 38.175 38.460 -0.150 0.000 0.991 242 Y HN 0.049 nan 8.280 nan 0.000 0.545 243 R N 0.101 120.546 120.500 -0.091 0.000 2.115 243 R HA -0.135 4.077 4.340 -0.213 0.000 0.230 243 R C 2.017 178.197 176.300 -0.199 0.000 1.111 243 R CA 1.208 57.219 56.100 -0.149 0.000 0.976 243 R CB -0.114 30.061 30.300 -0.207 0.000 0.870 243 R HN 0.301 nan 8.270 nan 0.000 0.445 244 K N 0.379 120.588 120.400 -0.317 0.000 2.148 244 K HA -0.073 4.120 4.320 -0.213 0.000 0.204 244 K C 1.944 178.433 176.600 -0.186 0.000 1.050 244 K CA 0.977 57.032 56.287 -0.387 0.000 0.942 244 K CB 0.020 32.007 32.500 -0.855 0.000 0.724 244 K HN 0.169 nan 8.250 nan 0.000 0.446 245 L N 0.568 121.745 121.223 -0.076 0.000 2.109 245 L HA -0.125 4.088 4.340 -0.213 0.000 0.207 245 L C 2.550 179.426 176.870 0.010 0.000 1.086 245 L CA 1.055 55.908 54.840 0.021 0.000 0.760 245 L CB -0.383 41.726 42.059 0.083 0.000 0.910 245 L HN 0.280 nan 8.230 nan 0.000 0.437 246 E N 0.900 121.096 120.200 -0.006 0.000 2.077 246 E HA -0.249 3.974 4.350 -0.213 0.000 0.193 246 E C 1.906 178.488 176.600 -0.030 0.000 0.989 246 E CA 1.355 57.751 56.400 -0.006 0.000 0.800 246 E CB 0.108 29.797 29.700 -0.019 0.000 0.746 246 E HN 0.509 nan 8.360 nan 0.000 0.452 247 E N 0.128 120.287 120.200 -0.069 0.000 2.085 247 E HA -0.213 4.010 4.350 -0.213 0.000 0.194 247 E C 2.199 178.763 176.600 -0.059 0.000 0.994 247 E CA 1.552 57.906 56.400 -0.077 0.000 0.801 247 E CB -0.120 29.511 29.700 -0.114 0.000 0.743 247 E HN 0.377 nan 8.360 nan 0.000 0.453 248 M N 0.363 119.924 119.600 -0.066 0.000 2.117 248 M HA -0.170 4.183 4.480 -0.213 0.000 0.262 248 M C 2.504 178.795 176.300 -0.015 0.000 1.065 248 M CA 1.491 56.750 55.300 -0.068 0.000 1.114 248 M CB -0.258 32.304 32.600 -0.064 0.000 1.361 248 M HN 0.146 nan 8.290 nan 0.000 0.408 249 A N 0.393 123.224 122.820 0.018 0.000 1.930 249 A HA -0.153 4.040 4.320 -0.213 0.000 0.217 249 A C 2.100 179.727 177.584 0.073 0.000 1.175 249 A CA 1.542 53.617 52.037 0.063 0.000 0.627 249 A CB -0.475 18.581 19.000 0.093 0.000 0.815 249 A HN 0.421 nan 8.150 nan 0.000 0.443 250 K N -0.789 119.636 120.400 0.042 0.000 2.057 250 K HA -0.146 4.046 4.320 -0.213 0.000 0.207 250 K C 2.201 178.849 176.600 0.080 0.000 1.049 250 K CA 1.472 57.787 56.287 0.046 0.000 0.931 250 K CB -0.100 32.399 32.500 -0.003 0.000 0.714 250 K HN 0.396 nan 8.250 nan 0.000 0.440 251 Q N 0.164 120.010 119.800 0.078 0.000 2.212 251 Q HA -0.017 4.195 4.340 -0.213 0.000 0.199 251 Q C 2.159 178.269 176.000 0.184 0.000 0.950 251 Q CA 0.593 56.472 55.803 0.127 0.000 0.863 251 Q CB -0.242 28.593 28.738 0.163 0.000 0.944 251 Q HN 0.095 nan 8.270 nan 0.000 0.465 252 V N 1.937 121.934 119.914 0.138 0.000 2.720 252 V HA -0.150 3.842 4.120 -0.213 0.000 0.256 252 V C 1.682 177.907 176.094 0.220 0.000 1.082 252 V CA 2.173 64.549 62.300 0.126 0.000 1.101 252 V CB -0.318 31.491 31.823 -0.023 0.000 0.693 252 V HN 0.539 nan 8.190 nan 0.000 0.479 253 T N -3.473 111.236 114.554 0.257 0.000 3.092 253 T HA 0.151 4.373 4.350 -0.213 0.000 0.258 253 T C 0.532 175.415 174.700 0.304 0.000 1.031 253 T CA -0.106 62.192 62.100 0.330 0.000 0.925 253 T CB -0.680 68.332 68.868 0.240 0.000 1.036 253 T HN 0.496 nan 8.240 nan 0.000 0.544 254 N N 2.047 120.885 118.700 0.230 0.000 2.462 254 N HA 0.271 4.884 4.740 -0.213 0.000 0.242 254 N C -2.084 173.266 175.510 -0.267 0.000 1.010 254 N CA -2.297 50.749 53.050 -0.005 0.000 0.939 254 N CB 1.523 39.977 38.487 -0.054 0.000 1.127 254 N HN -0.120 nan 8.380 nan 0.000 0.509 255 P HA -0.102 nan 4.420 nan 0.000 0.220 255 P C 0.319 177.261 177.300 -0.597 0.000 1.144 255 P CA 1.126 63.458 63.100 -1.279 0.000 0.800 255 P CB 0.335 31.571 31.700 -0.774 0.000 0.772 256 S N -1.987 113.505 115.700 -0.346 0.000 2.535 256 S HA 0.071 4.413 4.470 -0.213 0.000 0.214 256 S C 0.950 175.443 174.600 -0.180 0.000 0.980 256 S CA -0.140 57.939 58.200 -0.202 0.000 0.907 256 S CB -0.322 62.821 63.200 -0.095 0.000 0.790 256 S HN 0.122 nan 8.310 nan 0.000 0.510 257 S N 1.817 117.417 115.700 -0.166 0.000 2.576 257 S HA 0.127 4.470 4.470 -0.213 0.000 0.276 257 S C 1.435 175.982 174.600 -0.088 0.000 1.339 257 S CA -0.681 57.466 58.200 -0.089 0.000 1.039 257 S CB 0.648 63.865 63.200 0.028 0.000 0.902 257 S HN 0.551 nan 8.310 nan 0.000 0.516 258 R N 2.622 122.984 120.500 -0.230 0.000 2.193 258 R HA -0.076 4.136 4.340 -0.213 0.000 0.229 258 R C 0.431 176.484 176.300 -0.411 0.000 1.110 258 R CA 1.680 57.574 56.100 -0.343 0.000 0.988 258 R CB -0.530 29.484 30.300 -0.477 0.000 0.871 258 R HN 0.734 nan 8.270 nan 0.000 0.458 259 Y N -0.617 119.707 120.300 0.041 0.000 2.490 259 Y HA 0.116 4.536 4.550 -0.217 0.000 0.281 259 Y C 0.106 176.053 175.900 0.078 0.000 1.174 259 Y CA -1.275 56.848 58.100 0.038 0.000 1.295 259 Y CB -0.637 37.832 38.460 0.015 0.000 1.062 259 Y HN -0.000 nan 8.280 nan 0.000 0.522 260 Y N 2.766 123.095 120.300 0.048 0.000 2.805 260 Y HA -0.082 4.351 4.550 -0.196 0.000 0.331 260 Y C 1.054 176.983 175.900 0.049 0.000 1.241 260 Y CA -0.024 58.103 58.100 0.045 0.000 1.546 260 Y CB -0.089 38.380 38.460 0.015 0.000 1.248 260 Y HN 0.407 nan 8.280 nan 0.000 0.559 261 Q N 1.602 121.205 119.800 -0.327 0.000 2.450 261 Q HA -0.338 3.874 4.340 -0.213 0.000 0.255 261 Q C -0.485 175.427 176.000 -0.147 0.000 1.003 261 Q CA 1.205 56.817 55.803 -0.317 0.000 1.097 261 Q CB -1.031 27.398 28.738 -0.514 0.000 1.544 261 Q HN 0.757 nan 8.270 nan 0.000 0.531 262 D N 0.685 121.045 120.400 -0.067 0.000 2.383 262 D HA 0.003 4.515 4.640 -0.213 0.000 0.252 262 D C 1.164 177.424 176.300 -0.067 0.000 1.166 262 D CA 0.610 54.600 54.000 -0.015 0.000 0.879 262 D CB 0.940 41.800 40.800 0.101 0.000 1.164 262 D HN 0.336 nan 8.370 nan 0.000 0.462 263 E N 1.997 122.165 120.200 -0.054 0.000 2.097 263 E HA -0.226 3.997 4.350 -0.213 0.000 0.196 263 E C 1.434 177.990 176.600 -0.073 0.000 1.000 263 E CA 1.748 58.108 56.400 -0.067 0.000 0.804 263 E CB -0.462 29.214 29.700 -0.039 0.000 0.740 263 E HN 0.393 nan 8.360 nan 0.000 0.454 264 T N 0.185 114.713 114.554 -0.044 0.000 2.777 264 T HA -0.070 4.152 4.350 -0.213 0.000 0.266 264 T C 1.928 176.587 174.700 -0.069 0.000 1.040 264 T CA 1.354 63.427 62.100 -0.045 0.000 1.141 264 T CB -0.223 68.636 68.868 -0.015 0.000 0.868 264 T HN 0.065 nan 8.240 nan 0.000 0.444 265 V N 1.156 121.028 119.914 -0.070 0.000 2.358 265 V HA -0.115 3.877 4.120 -0.213 0.000 0.246 265 V C 2.630 178.633 176.094 -0.150 0.000 1.047 265 V CA 1.135 63.373 62.300 -0.104 0.000 1.035 265 V CB -0.661 31.107 31.823 -0.091 0.000 0.658 265 V HN 0.298 nan 8.190 nan 0.000 0.452 266 V N 0.275 120.054 119.914 -0.225 0.000 2.255 266 V HA -0.303 3.689 4.120 -0.213 0.000 0.247 266 V C 2.577 178.530 176.094 -0.235 0.000 1.051 266 V CA 2.609 64.698 62.300 -0.352 0.000 1.018 266 V CB -0.780 30.728 31.823 -0.525 0.000 0.641 266 V HN 0.514 nan 8.190 nan 0.000 0.445 267 R N -0.393 120.008 120.500 -0.164 0.000 2.092 267 R HA -0.158 4.055 4.340 -0.213 0.000 0.231 267 R C 2.352 178.600 176.300 -0.088 0.000 1.119 267 R CA 1.991 58.023 56.100 -0.114 0.000 0.970 267 R CB -0.471 29.780 30.300 -0.082 0.000 0.864 267 R HN 0.524 nan 8.270 nan 0.000 0.440 268 T N 0.336 114.838 114.554 -0.087 0.000 2.684 268 T HA -0.110 4.112 4.350 -0.213 0.000 0.267 268 T C 1.769 176.443 174.700 -0.043 0.000 1.036 268 T CA 1.566 63.621 62.100 -0.075 0.000 1.148 268 T CB -0.109 68.713 68.868 -0.077 0.000 0.863 268 T HN 0.048 nan 8.240 nan 0.000 0.436 269 V N 1.224 121.120 119.914 -0.031 0.000 2.307 269 V HA -0.142 3.851 4.120 -0.213 0.000 0.245 269 V C 2.624 178.775 176.094 0.095 0.000 1.045 269 V CA 1.577 63.902 62.300 0.042 0.000 1.024 269 V CB -0.528 31.333 31.823 0.063 0.000 0.651 269 V HN 0.367 nan 8.190 nan 0.000 0.449 270 R N 0.027 120.535 120.500 0.014 0.000 2.083 270 R HA -0.184 4.028 4.340 -0.213 0.000 0.237 270 R C 2.063 178.413 176.300 0.083 0.000 1.137 270 R CA 1.964 58.072 56.100 0.013 0.000 0.951 270 R CB -0.446 29.741 30.300 -0.189 0.000 0.851 270 R HN 0.502 nan 8.270 nan 0.000 0.434 271 D N -0.416 120.006 120.400 0.038 0.000 2.194 271 D HA -0.031 4.481 4.640 -0.213 0.000 0.204 271 D C 1.833 178.188 176.300 0.091 0.000 0.964 271 D CA 0.943 54.983 54.000 0.068 0.000 0.846 271 D CB -0.058 40.754 40.800 0.019 0.000 0.962 271 D HN 0.004 nan 8.370 nan 0.000 0.490 272 S N -0.059 115.664 115.700 0.040 0.000 2.387 272 S HA -0.039 4.303 4.470 -0.213 0.000 0.226 272 S C 1.915 176.568 174.600 0.088 0.000 1.026 272 S CA 0.584 58.802 58.200 0.031 0.000 0.972 272 S CB 0.045 63.230 63.200 -0.026 0.000 0.814 272 S HN 0.191 nan 8.310 nan 0.000 0.477 273 M N 0.929 120.546 119.600 0.029 0.000 2.117 273 M HA -0.067 4.285 4.480 -0.213 0.000 0.262 273 M C 2.201 178.557 176.300 0.093 0.000 1.065 273 M CA 1.381 56.630 55.300 -0.085 0.000 1.114 273 M CB -1.264 31.012 32.600 -0.541 0.000 1.361 273 M HN 0.236 nan 8.290 nan 0.000 0.408 274 E N -0.485 119.844 120.200 0.214 0.000 2.077 274 E HA -0.224 3.998 4.350 -0.213 0.000 0.193 274 E C 1.841 178.670 176.600 0.380 0.000 0.989 274 E CA 1.678 58.340 56.400 0.436 0.000 0.800 274 E CB -0.399 29.514 29.700 0.356 0.000 0.746 274 E HN 0.487 nan 8.360 nan 0.000 0.452 275 W N 0.051 121.419 121.300 0.113 0.000 2.378 275 W HA -0.148 4.381 4.660 -0.217 0.000 0.313 275 W C 1.969 178.524 176.519 0.060 0.000 1.197 275 W CA 1.798 59.154 57.345 0.020 0.000 1.304 275 W CB -0.179 29.220 29.460 -0.102 0.000 1.148 275 W HN 0.063 nan 8.180 nan 0.000 0.494 276 M N -0.471 119.351 119.600 0.370 0.000 2.149 276 M HA -0.236 4.116 4.480 -0.213 0.000 0.261 276 M C 2.019 178.457 176.300 0.230 0.000 1.064 276 M CA 2.207 57.650 55.300 0.238 0.000 1.102 276 M CB -2.043 30.642 32.600 0.142 0.000 1.369 276 M HN 0.308 nan 8.290 nan 0.000 0.408 277 H N 0.556 119.775 119.070 0.249 0.000 2.423 277 H HA -0.038 4.394 4.556 -0.207 0.000 0.297 277 H C 1.918 177.315 175.328 0.115 0.000 1.075 277 H CA 1.655 57.868 56.048 0.274 0.000 1.342 277 H CB 0.255 30.277 29.762 0.434 0.000 1.395 277 H HN 0.224 nan 8.280 nan 0.000 0.530 278 K N -1.073 119.273 120.400 -0.089 0.000 2.242 278 K HA 0.019 4.212 4.320 -0.213 0.000 0.200 278 K C 1.225 177.692 176.600 -0.223 0.000 1.050 278 K CA 0.698 56.883 56.287 -0.170 0.000 0.981 278 K CB 0.270 32.793 32.500 0.038 0.000 0.795 278 K HN 0.591 nan 8.250 nan 0.000 0.477 279 H N -0.918 117.821 119.070 -0.552 0.000 2.885 279 H HA 0.109 4.538 4.556 -0.213 0.000 0.260 279 H C 1.380 176.398 175.328 -0.516 0.000 0.985 279 H CA 0.232 55.901 56.048 -0.631 0.000 1.210 279 H CB 1.156 30.239 29.762 -1.131 0.000 1.466 279 H HN -0.098 nan 8.280 nan 0.000 0.493 280 V N -0.942 118.840 119.914 -0.220 0.000 3.161 280 V HA 0.023 4.015 4.120 -0.213 0.000 0.221 280 V C -0.607 175.574 176.094 0.145 0.000 1.296 280 V CA 0.097 62.327 62.300 -0.117 0.000 1.306 280 V CB 0.642 32.478 31.823 0.022 0.000 1.171 280 V HN 0.097 nan 8.190 nan 0.000 0.513 281 Y N 4.403 124.753 120.300 0.083 0.000 2.426 281 Y HA 0.630 5.051 4.550 -0.215 0.000 0.325 281 Y C -0.445 175.565 175.900 0.183 0.000 0.989 281 Y CA -1.257 56.956 58.100 0.188 0.000 1.284 281 Y CB 0.656 39.258 38.460 0.238 0.000 1.104 281 Y HN 0.533 nan 8.280 nan 0.000 0.481 282 N N 1.361 120.015 118.700 -0.076 0.000 2.825 282 N HA 0.157 4.769 4.740 -0.213 0.000 0.253 282 N C -0.315 175.099 175.510 -0.160 0.000 1.426 282 N CA -0.698 52.264 53.050 -0.147 0.000 0.851 282 N CB 1.447 39.794 38.487 -0.233 0.000 1.470 282 N HN 0.261 nan 8.380 nan 0.000 0.517 283 S N 0.261 115.853 115.700 -0.178 0.000 2.402 283 S HA -0.168 4.174 4.470 -0.213 0.000 0.233 283 S C 1.102 175.570 174.600 -0.220 0.000 1.030 283 S CA 1.475 59.529 58.200 -0.243 0.000 1.003 283 S CB -0.412 62.688 63.200 -0.166 0.000 0.813 283 S HN 0.580 nan 8.310 nan 0.000 0.477 284 E N 0.493 120.610 120.200 -0.139 0.000 2.472 284 E HA -0.008 4.215 4.350 -0.213 0.000 0.200 284 E C 0.319 176.893 176.600 -0.045 0.000 1.046 284 E CA 0.514 56.856 56.400 -0.096 0.000 0.871 284 E CB 0.174 29.824 29.700 -0.084 0.000 0.806 284 E HN 0.310 nan 8.360 nan 0.000 0.533 285 K N 0.651 121.052 120.400 0.001 0.000 2.090 285 K HA 0.387 4.579 4.320 -0.213 0.000 0.249 285 K C -0.069 176.669 176.600 0.230 0.000 0.995 285 K CA -0.328 56.062 56.287 0.171 0.000 0.914 285 K CB 1.850 34.562 32.500 0.354 0.000 1.057 285 K HN -0.180 nan 8.250 nan 0.000 0.462 286 S N 0.421 116.281 115.700 0.267 0.000 2.566 286 S HA 0.459 4.801 4.470 -0.213 0.000 0.298 286 S C 0.171 174.804 174.600 0.055 0.000 1.083 286 S CA -0.797 57.536 58.200 0.222 0.000 0.978 286 S CB 1.071 64.328 63.200 0.096 0.000 1.073 286 S HN 0.381 nan 8.310 nan 0.000 0.491 287 I N 2.280 122.756 120.570 -0.156 0.000 2.741 287 I HA 0.040 4.083 4.170 -0.213 0.000 0.288 287 I C -0.725 175.172 176.117 -0.366 0.000 1.192 287 I CA 0.324 61.154 61.300 -0.782 0.000 1.426 287 I CB 0.106 37.851 38.000 -0.426 0.000 1.367 287 I HN 0.159 nan 8.210 nan 0.000 0.563 288 V N 6.932 126.652 119.914 -0.324 0.000 2.409 288 V HA 0.758 4.750 4.120 -0.213 0.000 0.290 288 V C 0.586 176.736 176.094 0.092 0.000 1.017 288 V CA 0.219 62.520 62.300 0.002 0.000 0.841 288 V CB 0.558 32.457 31.823 0.127 0.000 1.003 288 V HN 1.164 nan 8.190 nan 0.000 0.426 289 G N 5.172 114.009 108.800 0.063 0.000 2.545 289 G HA2 -0.236 3.596 3.960 -0.213 0.000 0.240 289 G HA3 -0.236 3.596 3.960 -0.213 0.000 0.240 289 G C -0.074 174.878 174.900 0.088 0.000 1.172 289 G CA 0.221 45.374 45.100 0.088 0.000 0.949 289 G HN 0.841 nan 8.290 nan 0.000 0.574 290 N N 1.673 120.428 118.700 0.091 0.000 2.422 290 N HA 0.267 4.880 4.740 -0.213 0.000 0.264 290 N C 1.720 177.241 175.510 0.018 0.000 1.063 290 N CA 0.041 53.105 53.050 0.024 0.000 0.959 290 N CB 0.187 38.625 38.487 -0.082 0.000 1.087 290 N HN 0.745 nan 8.380 nan 0.000 0.483 291 W N 4.003 125.320 121.300 0.029 0.000 2.350 291 W HA -0.157 4.376 4.660 -0.213 0.000 0.289 291 W C 1.069 177.615 176.519 0.045 0.000 1.215 291 W CA 0.928 58.290 57.345 0.029 0.000 1.236 291 W CB -0.972 28.494 29.460 0.010 0.000 1.130 291 W HN 0.476 nan 8.180 nan 0.000 0.541 292 A N 1.449 123.464 122.820 -1.342 0.000 1.972 292 A HA -0.206 3.987 4.320 -0.213 0.000 0.219 292 A C 1.821 179.092 177.584 -0.521 0.000 1.169 292 A CA 1.962 53.198 52.037 -1.336 0.000 0.635 292 A CB -0.823 17.372 19.000 -1.342 0.000 0.810 292 A HN 0.221 nan 8.150 nan 0.000 0.446 293 D N -1.562 118.648 120.400 -0.316 0.000 2.149 293 D HA -0.096 4.416 4.640 -0.213 0.000 0.201 293 D C 1.450 177.608 176.300 -0.236 0.000 0.972 293 D CA 1.155 55.016 54.000 -0.232 0.000 0.835 293 D CB -0.228 40.464 40.800 -0.179 0.000 0.966 293 D HN 0.598 nan 8.370 nan 0.000 0.476 294 Y N 1.308 121.487 120.300 -0.201 0.000 2.373 294 Y HA -0.022 4.402 4.550 -0.211 0.000 0.293 294 Y C 2.074 177.943 175.900 -0.053 0.000 1.129 294 Y CA 0.892 58.865 58.100 -0.211 0.000 1.226 294 Y CB 0.300 38.488 38.460 -0.453 0.000 1.000 294 Y HN 0.015 nan 8.280 nan 0.000 0.549 295 E N -1.706 118.598 120.200 0.174 0.000 2.434 295 E HA 0.161 4.383 4.350 -0.213 0.000 0.207 295 E C 1.227 177.967 176.600 0.233 0.000 0.929 295 E CA 0.398 56.993 56.400 0.325 0.000 1.001 295 E CB 0.546 30.600 29.700 0.591 0.000 1.016 295 E HN 0.379 nan 8.360 nan 0.000 0.502 296 I N -0.206 120.374 120.570 0.017 0.000 3.632 296 I HA 0.131 4.174 4.170 -0.213 0.000 0.246 296 I C 2.345 178.408 176.117 -0.089 0.000 1.125 296 I CA 0.486 61.766 61.300 -0.033 0.000 1.519 296 I CB -0.431 37.466 38.000 -0.172 0.000 1.555 296 I HN 0.044 nan 8.210 nan 0.000 0.452 297 G N 0.766 109.465 108.800 -0.169 0.000 2.491 297 G HA2 -0.239 3.594 3.960 -0.213 0.000 0.218 297 G HA3 -0.239 3.594 3.960 -0.213 0.000 0.218 297 G C 1.606 176.393 174.900 -0.187 0.000 1.180 297 G CA 1.950 46.945 45.100 -0.174 0.000 0.774 297 G HN 0.262 nan 8.290 nan 0.000 0.562 298 T N 1.804 116.196 114.554 -0.270 0.000 2.737 298 T HA -0.022 4.200 4.350 -0.213 0.000 0.265 298 T C 0.226 174.701 174.700 -0.375 0.000 1.038 298 T CA 1.515 63.361 62.100 -0.424 0.000 1.144 298 T CB -0.773 67.632 68.868 -0.773 0.000 0.866 298 T HN 0.230 nan 8.240 nan 0.000 0.434 299 P HA -0.008 nan 4.420 nan 0.000 0.218 299 P C 1.430 178.705 177.300 -0.041 0.000 1.148 299 P CA 1.067 64.132 63.100 -0.059 0.000 0.822 299 P CB -0.004 31.740 31.700 0.072 0.000 0.784 300 R N -0.524 119.958 120.500 -0.030 0.000 2.081 300 R HA -0.036 4.176 4.340 -0.213 0.000 0.235 300 R C 2.278 178.586 176.300 0.012 0.000 1.131 300 R CA 1.541 57.655 56.100 0.023 0.000 0.960 300 R CB -0.958 29.362 30.300 0.033 0.000 0.856 300 R HN 0.148 nan 8.270 nan 0.000 0.436 301 A N 1.003 123.790 122.820 -0.054 0.000 1.930 301 A HA -0.098 4.094 4.320 -0.213 0.000 0.217 301 A C 2.115 179.681 177.584 -0.030 0.000 1.175 301 A CA 1.022 53.036 52.037 -0.039 0.000 0.627 301 A CB -0.387 18.584 19.000 -0.049 0.000 0.815 301 A HN 0.165 nan 8.150 nan 0.000 0.443 302 I N 0.160 120.655 120.570 -0.124 0.000 2.179 302 I HA -0.277 3.765 4.170 -0.213 0.000 0.242 302 I C 2.151 178.249 176.117 -0.031 0.000 1.088 302 I CA 1.237 62.472 61.300 -0.108 0.000 1.357 302 I CB -0.465 37.410 38.000 -0.208 0.000 1.051 302 I HN 0.308 nan 8.210 nan 0.000 0.409 303 N N 1.116 119.816 118.700 -0.001 0.000 2.104 303 N HA -0.167 4.446 4.740 -0.213 0.000 0.190 303 N C 1.563 177.140 175.510 0.111 0.000 1.024 303 N CA 1.361 54.435 53.050 0.040 0.000 0.853 303 N CB -0.601 37.914 38.487 0.046 0.000 1.008 303 N HN 0.361 nan 8.380 nan 0.000 0.424 304 N N 0.129 118.920 118.700 0.150 0.000 2.216 304 N HA -0.036 4.576 4.740 -0.213 0.000 0.183 304 N C 1.649 177.234 175.510 0.125 0.000 1.017 304 N CA 0.896 54.069 53.050 0.205 0.000 0.861 304 N CB -0.753 37.828 38.487 0.156 0.000 0.986 304 N HN 0.219 nan 8.380 nan 0.000 0.428 305 T N 2.010 116.610 114.554 0.075 0.000 2.652 305 T HA -0.062 4.160 4.350 -0.213 0.000 0.267 305 T C 2.096 176.835 174.700 0.065 0.000 1.039 305 T CA 0.960 63.100 62.100 0.067 0.000 1.153 305 T CB -0.396 68.501 68.868 0.048 0.000 0.863 305 T HN 0.137 nan 8.240 nan 0.000 0.428 306 L N 0.747 121.957 121.223 -0.022 0.000 2.083 306 L HA -0.080 4.132 4.340 -0.213 0.000 0.209 306 L C 2.877 179.791 176.870 0.074 0.000 1.083 306 L CA 1.005 55.796 54.840 -0.083 0.000 0.752 306 L CB -0.643 41.308 42.059 -0.181 0.000 0.899 306 L HN 0.263 nan 8.230 nan 0.000 0.433 307 S N 0.236 116.008 115.700 0.120 0.000 2.356 307 S HA -0.135 4.208 4.470 -0.213 0.000 0.223 307 S C 2.012 176.724 174.600 0.187 0.000 1.032 307 S CA 1.230 59.538 58.200 0.180 0.000 1.005 307 S CB -0.187 63.192 63.200 0.298 0.000 0.867 307 S HN 0.293 nan 8.310 nan 0.000 0.449 308 L N 0.220 121.549 121.223 0.177 0.000 2.093 308 L HA 0.102 4.315 4.340 -0.213 0.000 0.208 308 L C 1.983 178.984 176.870 0.219 0.000 1.085 308 L CA 1.058 55.999 54.840 0.169 0.000 0.755 308 L CB -0.202 41.938 42.059 0.134 0.000 0.904 308 L HN 0.348 nan 8.230 nan 0.000 0.435 309 M N -0.225 119.540 119.600 0.275 0.000 2.756 309 M HA 0.054 4.407 4.480 -0.213 0.000 0.320 309 M C 1.403 177.982 176.300 0.464 0.000 1.245 309 M CA -0.025 55.533 55.300 0.430 0.000 0.972 309 M CB 0.371 33.262 32.600 0.485 0.000 1.327 309 M HN 0.129 nan 8.290 nan 0.000 0.505 310 K N -0.119 120.455 120.400 0.291 0.000 2.280 310 K HA -0.110 4.082 4.320 -0.213 0.000 0.202 310 K C 0.777 177.484 176.600 0.178 0.000 1.047 310 K CA 1.231 57.666 56.287 0.246 0.000 0.942 310 K CB -0.134 32.462 32.500 0.161 0.000 0.739 310 K HN 0.420 nan 8.250 nan 0.000 0.457 311 E N -0.120 120.113 120.200 0.055 0.000 2.511 311 E HA -0.084 4.138 4.350 -0.213 0.000 0.196 311 E C 0.212 176.605 176.600 -0.344 0.000 1.066 311 E CA 0.524 56.824 56.400 -0.166 0.000 0.871 311 E CB 0.043 29.561 29.700 -0.304 0.000 0.863 311 E HN 0.482 nan 8.360 nan 0.000 0.520 312 Y N -1.647 118.688 120.300 0.058 0.000 2.500 312 Y HA 0.244 4.787 4.550 -0.011 0.000 0.246 312 Y C -0.002 175.748 175.900 -0.249 0.000 1.146 312 Y CA -0.302 57.738 58.100 -0.101 0.000 1.230 312 Y CB 0.632 38.985 38.460 -0.179 0.000 1.214 312 Y HN -0.130 nan 8.280 nan 0.000 0.526 313 F N -0.266 119.784 119.950 0.167 0.000 2.561 313 F HA 0.487 4.902 4.527 -0.187 0.000 0.321 313 F C 0.505 176.361 175.800 0.094 0.000 1.065 313 F CA -1.489 56.596 58.000 0.143 0.000 0.934 313 F CB 1.463 40.559 39.000 0.160 0.000 1.215 313 F HN -0.277 nan 8.300 nan 0.000 0.471 314 S N 0.112 115.986 115.700 0.291 0.000 2.632 314 S HA 0.196 4.539 4.470 -0.213 0.000 0.271 314 S C 0.489 175.184 174.600 0.158 0.000 1.260 314 S CA -0.778 57.523 58.200 0.169 0.000 1.010 314 S CB 1.110 64.377 63.200 0.112 0.000 0.965 314 S HN 0.596 nan 8.310 nan 0.000 0.534 315 D N 1.234 121.691 120.400 0.096 0.000 2.158 315 D HA -0.119 4.393 4.640 -0.213 0.000 0.197 315 D C 1.570 177.889 176.300 0.032 0.000 0.995 315 D CA 1.578 55.613 54.000 0.059 0.000 0.846 315 D CB -0.228 40.595 40.800 0.038 0.000 0.941 315 D HN 0.696 nan 8.370 nan 0.000 0.456 316 E N 0.731 120.948 120.200 0.029 0.000 2.107 316 E HA -0.084 4.138 4.350 -0.213 0.000 0.191 316 E C 1.970 178.544 176.600 -0.043 0.000 0.982 316 E CA 0.592 56.986 56.400 -0.010 0.000 0.809 316 E CB -0.140 29.555 29.700 -0.009 0.000 0.756 316 E HN 0.400 nan 8.360 nan 0.000 0.459 317 E N -0.002 120.211 120.200 0.022 0.000 2.150 317 E HA -0.084 4.138 4.350 -0.213 0.000 0.193 317 E C 1.916 178.517 176.600 0.002 0.000 0.985 317 E CA 0.575 56.974 56.400 -0.002 0.000 0.814 317 E CB -0.028 29.880 29.700 0.346 0.000 0.752 317 E HN 0.257 nan 8.360 nan 0.000 0.466 318 I N 0.901 121.508 120.570 0.061 0.000 2.286 318 I HA -0.244 3.798 4.170 -0.213 0.000 0.245 318 I C 2.386 178.494 176.117 -0.015 0.000 1.104 318 I CA 0.962 62.276 61.300 0.023 0.000 1.397 318 I CB -0.077 37.934 38.000 0.019 0.000 1.072 318 I HN -0.002 nan 8.210 nan 0.000 0.417 319 K N 0.974 121.349 120.400 -0.041 0.000 2.032 319 K HA -0.279 3.913 4.320 -0.213 0.000 0.209 319 K C 2.209 178.753 176.600 -0.094 0.000 1.048 319 K CA 1.772 58.022 56.287 -0.061 0.000 0.927 319 K CB -0.131 32.332 32.500 -0.062 0.000 0.712 319 K HN 0.157 nan 8.250 nan 0.000 0.441 320 K N -0.108 120.177 120.400 -0.191 0.000 2.057 320 K HA -0.187 4.005 4.320 -0.213 0.000 0.207 320 K C 1.701 178.111 176.600 -0.317 0.000 1.049 320 K CA 1.611 57.702 56.287 -0.326 0.000 0.931 320 K CB -0.103 32.063 32.500 -0.556 0.000 0.714 320 K HN 0.132 nan 8.250 nan 0.000 0.440 321 Y N 0.587 120.833 120.300 -0.090 0.000 2.544 321 Y HA -0.012 4.404 4.550 -0.223 0.000 0.286 321 Y C 2.158 178.068 175.900 0.017 0.000 1.141 321 Y CA 1.191 59.271 58.100 -0.033 0.000 1.299 321 Y CB 0.058 38.478 38.460 -0.066 0.000 1.030 321 Y HN 0.277 nan 8.280 nan 0.000 0.543 322 T N -4.679 109.937 114.554 0.103 0.000 3.060 322 T HA 0.026 4.248 4.350 -0.213 0.000 0.249 322 T C 1.200 175.927 174.700 0.045 0.000 1.079 322 T CA 0.294 62.436 62.100 0.070 0.000 1.013 322 T CB 0.005 68.888 68.868 0.026 0.000 0.975 322 T HN 0.009 nan 8.240 nan 0.000 0.518 323 D N 1.675 122.089 120.400 0.024 0.000 2.123 323 D HA -0.088 4.424 4.640 -0.213 0.000 0.196 323 D C 2.164 178.459 176.300 -0.008 0.000 0.992 323 D CA 0.771 54.769 54.000 -0.003 0.000 0.833 323 D CB -0.487 40.304 40.800 -0.015 0.000 0.954 323 D HN 0.292 nan 8.370 nan 0.000 0.455 324 V N 0.819 120.739 119.914 0.010 0.000 2.490 324 V HA -0.210 3.782 4.120 -0.213 0.000 0.250 324 V C 2.163 178.292 176.094 0.058 0.000 1.061 324 V CA 1.129 63.393 62.300 -0.060 0.000 1.064 324 V CB -0.292 31.414 31.823 -0.194 0.000 0.670 324 V HN 0.158 nan 8.190 nan 0.000 0.461 325 I N -0.172 120.474 120.570 0.126 0.000 2.252 325 I HA -0.129 3.913 4.170 -0.213 0.000 0.245 325 I C 2.510 178.706 176.117 0.132 0.000 1.102 325 I CA 1.373 62.785 61.300 0.187 0.000 1.385 325 I CB -0.426 37.657 38.000 0.139 0.000 1.064 325 I HN 0.303 nan 8.210 nan 0.000 0.414 326 E N 0.816 121.047 120.200 0.051 0.000 2.208 326 E HA -0.183 4.039 4.350 -0.213 0.000 0.193 326 E C 1.963 178.550 176.600 -0.021 0.000 0.988 326 E CA 0.662 57.070 56.400 0.013 0.000 0.828 326 E CB -0.276 29.415 29.700 -0.015 0.000 0.763 326 E HN 0.381 nan 8.360 nan 0.000 0.478 327 K N 0.299 120.651 120.400 -0.080 0.000 2.062 327 K HA -0.065 4.128 4.320 -0.213 0.000 0.205 327 K C 1.722 178.192 176.600 -0.216 0.000 1.051 327 K CA 0.809 56.964 56.287 -0.219 0.000 0.941 327 K CB -0.129 32.128 32.500 -0.405 0.000 0.719 327 K HN 0.060 nan 8.250 nan 0.000 0.440 328 F N 0.452 120.436 119.950 0.057 0.000 2.512 328 F HA 0.031 4.429 4.527 -0.214 0.000 0.296 328 F C 0.971 176.857 175.800 0.144 0.000 1.110 328 F CA 0.313 58.389 58.000 0.127 0.000 1.446 328 F CB 0.563 39.699 39.000 0.226 0.000 1.092 328 F HN -0.270 nan 8.300 nan 0.000 0.554 329 V N 1.490 121.560 119.914 0.260 0.000 2.464 329 V HA 0.176 4.168 4.120 -0.213 0.000 0.255 329 V C -1.860 174.275 176.094 0.069 0.000 0.946 329 V CA -0.811 61.595 62.300 0.176 0.000 0.988 329 V CB 0.760 32.716 31.823 0.221 0.000 1.210 329 V HN -0.086 nan 8.190 nan 0.000 0.523 330 P HA 0.053 nan 4.420 nan 0.000 0.227 330 P C 0.135 177.423 177.300 -0.020 0.000 1.161 330 P CA 0.928 64.025 63.100 -0.005 0.000 0.788 330 P CB 0.730 32.418 31.700 -0.021 0.000 0.822 331 D N 0.616 121.000 120.400 -0.027 0.000 2.462 331 D HA 0.176 4.688 4.640 -0.213 0.000 0.245 331 D C -1.854 174.407 176.300 -0.064 0.000 1.122 331 D CA -2.694 51.288 54.000 -0.029 0.000 0.864 331 D CB 1.448 42.238 40.800 -0.017 0.000 1.098 331 D HN -0.088 nan 8.370 nan 0.000 0.541 332 P HA -0.036 nan 4.420 nan 0.000 0.234 332 P C 0.378 177.595 177.300 -0.138 0.000 1.167 332 P CA 0.692 63.726 63.100 -0.110 0.000 0.763 332 P CB 0.475 32.140 31.700 -0.058 0.000 0.835 333 E N -1.455 118.701 120.200 -0.073 0.000 2.452 333 E HA 0.035 4.257 4.350 -0.213 0.000 0.197 333 E C -0.179 176.213 176.600 -0.347 0.000 1.022 333 E CA 0.217 56.540 56.400 -0.128 0.000 0.890 333 E CB 0.070 29.765 29.700 -0.008 0.000 0.918 333 E HN 0.485 nan 8.360 nan 0.000 0.496 334 H N -1.265 117.664 119.070 -0.235 0.000 2.806 334 H HA 0.336 4.764 4.556 -0.213 0.000 0.367 334 H C -1.006 174.114 175.328 -0.347 0.000 1.136 334 H CA -0.610 55.309 56.048 -0.215 0.000 1.178 334 H CB 0.971 30.660 29.762 -0.122 0.000 1.718 334 H HN -0.147 nan 8.280 nan 0.000 0.540 335 F N 0.746 120.695 119.950 -0.001 0.000 2.457 335 F HA 0.418 4.817 4.527 -0.214 0.000 0.330 335 F C 0.984 176.698 175.800 -0.142 0.000 1.069 335 F CA -0.765 57.201 58.000 -0.056 0.000 1.009 335 F CB 0.860 39.741 39.000 -0.198 0.000 1.276 335 F HN 0.512 nan 8.300 nan 0.000 0.492 336 R N -0.410 120.148 120.500 0.096 0.000 3.641 336 R HA -0.248 3.964 4.340 -0.213 0.000 0.286 336 R C 1.097 177.419 176.300 0.036 0.000 1.153 336 R CA 0.477 56.570 56.100 -0.011 0.000 0.775 336 R CB -1.263 28.876 30.300 -0.269 0.000 1.215 336 R HN 0.425 nan 8.270 nan 0.000 0.474 337 K N 1.108 121.559 120.400 0.085 0.000 2.147 337 K HA -0.079 4.114 4.320 -0.213 0.000 0.205 337 K C 1.944 178.561 176.600 0.028 0.000 1.049 337 K CA 2.213 58.520 56.287 0.034 0.000 0.936 337 K CB -0.142 32.375 32.500 0.029 0.000 0.722 337 K HN 0.491 nan 8.250 nan 0.000 0.446 338 T N -2.444 112.160 114.554 0.083 0.000 3.129 338 T HA 0.048 4.270 4.350 -0.213 0.000 0.251 338 T C 0.867 175.597 174.700 0.050 0.000 1.117 338 T CA 0.296 62.433 62.100 0.061 0.000 1.034 338 T CB -0.669 68.263 68.868 0.107 0.000 0.968 338 T HN 0.273 nan 8.240 nan 0.000 0.526 339 T N -0.826 113.753 114.554 0.042 0.000 2.810 339 T HA 0.289 4.511 4.350 -0.213 0.000 0.277 339 T C 0.604 175.298 174.700 -0.010 0.000 0.973 339 T CA -0.607 61.501 62.100 0.014 0.000 0.949 339 T CB 0.862 69.728 68.868 -0.004 0.000 1.075 339 T HN -0.114 nan 8.240 nan 0.000 0.537 340 D N 0.428 120.819 120.400 -0.016 0.000 2.269 340 D HA -0.008 4.504 4.640 -0.213 0.000 0.208 340 D C 0.122 176.402 176.300 -0.032 0.000 0.963 340 D CA 0.873 54.860 54.000 -0.023 0.000 0.864 340 D CB -0.016 40.773 40.800 -0.019 0.000 0.936 340 D HN 0.522 nan 8.370 nan 0.000 0.505 341 N N 1.747 120.423 118.700 -0.041 0.000 2.790 341 N HA 0.175 4.787 4.740 -0.213 0.000 0.256 341 N C -2.608 172.862 175.510 -0.067 0.000 1.409 341 N CA -0.864 52.156 53.050 -0.051 0.000 0.799 341 N CB 2.182 40.636 38.487 -0.055 0.000 1.170 341 N HN 0.056 nan 8.380 nan 0.000 0.507 342 P HA 0.018 nan 4.420 nan 0.000 0.270 342 P C -0.160 177.134 177.300 -0.010 0.000 1.227 342 P CA -0.114 62.972 63.100 -0.024 0.000 0.788 342 P CB 1.375 33.074 31.700 -0.002 0.000 0.926 343 V N 0.668 120.573 119.914 -0.014 0.000 2.823 343 V HA 0.390 4.382 4.120 -0.213 0.000 0.312 343 V C -0.278 175.773 176.094 -0.071 0.000 1.072 343 V CA -1.224 61.042 62.300 -0.057 0.000 0.937 343 V CB 1.995 33.714 31.823 -0.174 0.000 1.013 343 V HN 0.504 nan 8.190 nan 0.000 0.430 344 K N 4.955 125.264 120.400 -0.151 0.000 2.379 344 K HA 0.599 4.792 4.320 -0.213 0.000 0.284 344 K C -0.040 176.456 176.600 -0.173 0.000 1.044 344 K CA 0.677 56.770 56.287 -0.324 0.000 0.974 344 K CB 0.922 33.279 32.500 -0.239 0.000 0.962 344 K HN 0.988 nan 8.250 nan 0.000 0.474 345 A N 5.993 128.694 122.820 -0.198 0.000 2.347 345 A HA 0.459 4.652 4.320 -0.213 0.000 0.287 345 A C -0.761 176.814 177.584 -0.015 0.000 1.199 345 A CA -0.369 51.664 52.037 -0.006 0.000 0.851 345 A CB -0.346 18.569 19.000 -0.142 0.000 1.118 345 A HN 0.715 nan 8.150 nan 0.000 0.525 346 L N 2.012 123.254 121.223 0.032 0.000 2.359 346 L HA 0.771 4.983 4.340 -0.213 0.000 0.256 346 L C 0.956 177.841 176.870 0.025 0.000 1.026 346 L CA -0.207 54.632 54.840 -0.002 0.000 0.828 346 L CB 1.932 43.958 42.059 -0.056 0.000 1.406 346 L HN 1.168 nan 8.230 nan 0.000 0.413 347 G N 0.466 109.272 108.800 0.010 0.000 2.552 347 G HA2 -0.241 3.591 3.960 -0.213 0.000 0.265 347 G HA3 -0.241 3.591 3.960 -0.213 0.000 0.265 347 G C 0.771 175.716 174.900 0.075 0.000 1.234 347 G CA 0.283 45.417 45.100 0.057 0.000 0.944 347 G HN 1.104 nan 8.290 nan 0.000 0.568 348 G N -0.226 108.638 108.800 0.106 0.000 2.469 348 G HA2 -0.262 3.570 3.960 -0.213 0.000 0.219 348 G HA3 -0.262 3.570 3.960 -0.213 0.000 0.219 348 G C 1.536 176.514 174.900 0.131 0.000 1.150 348 G CA 1.714 46.872 45.100 0.096 0.000 0.763 348 G HN 0.871 nan 8.290 nan 0.000 0.561 349 N N -0.177 118.619 118.700 0.161 0.000 2.223 349 N HA -0.081 4.532 4.740 -0.213 0.000 0.185 349 N C 1.996 177.737 175.510 0.386 0.000 1.016 349 N CA 0.741 53.916 53.050 0.208 0.000 0.863 349 N CB -0.115 38.475 38.487 0.173 0.000 0.983 349 N HN 0.273 nan 8.380 nan 0.000 0.429 350 L N 0.766 122.151 121.223 0.268 0.000 2.217 350 L HA 0.001 4.214 4.340 -0.213 0.000 0.211 350 L C 1.771 178.722 176.870 0.135 0.000 1.107 350 L CA 1.052 56.008 54.840 0.194 0.000 0.783 350 L CB -0.120 41.988 42.059 0.082 0.000 0.919 350 L HN -0.074 nan 8.230 nan 0.000 0.442 351 V N -0.373 119.609 119.914 0.114 0.000 2.379 351 V HA -0.210 3.783 4.120 -0.213 0.000 0.245 351 V C 2.173 178.342 176.094 0.125 0.000 1.044 351 V CA 1.771 64.126 62.300 0.092 0.000 1.036 351 V CB -0.645 31.219 31.823 0.069 0.000 0.664 351 V HN 0.414 nan 8.190 nan 0.000 0.453 352 D N -0.538 119.959 120.400 0.163 0.000 2.178 352 D HA -0.181 4.331 4.640 -0.213 0.000 0.201 352 D C 1.986 178.442 176.300 0.260 0.000 0.980 352 D CA 1.146 55.254 54.000 0.180 0.000 0.842 352 D CB -0.156 40.727 40.800 0.138 0.000 0.948 352 D HN 0.344 nan 8.370 nan 0.000 0.472 353 M N 0.376 120.189 119.600 0.354 0.000 2.149 353 M HA -0.056 4.297 4.480 -0.213 0.000 0.261 353 M C 1.872 178.228 176.300 0.094 0.000 1.064 353 M CA 1.682 57.120 55.300 0.231 0.000 1.102 353 M CB -0.579 32.041 32.600 0.032 0.000 1.369 353 M HN -0.017 nan 8.290 nan 0.000 0.408 354 G N -0.601 108.244 108.800 0.075 0.000 2.403 354 G HA2 -0.149 3.684 3.960 -0.213 0.000 0.216 354 G HA3 -0.149 3.684 3.960 -0.213 0.000 0.216 354 G C 1.674 176.562 174.900 -0.021 0.000 1.154 354 G CA 0.370 45.482 45.100 0.020 0.000 0.784 354 G HN 0.482 nan 8.290 nan 0.000 0.538 355 R N -0.165 120.350 120.500 0.025 0.000 2.235 355 R HA 0.077 4.290 4.340 -0.213 0.000 0.213 355 R C 2.341 178.640 176.300 -0.001 0.000 1.059 355 R CA 0.480 56.581 56.100 0.002 0.000 0.997 355 R CB -0.110 30.272 30.300 0.137 0.000 0.884 355 R HN 0.331 nan 8.270 nan 0.000 0.462 356 V N 0.875 120.816 119.914 0.046 0.000 2.300 356 V HA -0.136 3.857 4.120 -0.213 0.000 0.241 356 V C 1.959 178.056 176.094 0.006 0.000 1.034 356 V CA 1.504 63.838 62.300 0.056 0.000 1.021 356 V CB -0.165 31.741 31.823 0.139 0.000 0.662 356 V HN 0.194 nan 8.190 nan 0.000 0.458 357 K N -0.358 120.042 120.400 0.001 0.000 2.262 357 K HA 0.054 4.246 4.320 -0.213 0.000 0.200 357 K C 1.961 178.525 176.600 -0.061 0.000 1.049 357 K CA 0.593 56.867 56.287 -0.022 0.000 0.979 357 K CB 0.126 32.617 32.500 -0.015 0.000 0.773 357 K HN 0.265 nan 8.250 nan 0.000 0.474 358 V N 1.834 121.694 119.914 -0.089 0.000 2.453 358 V HA -0.208 3.785 4.120 -0.213 0.000 0.247 358 V C 2.112 178.096 176.094 -0.184 0.000 1.048 358 V CA 1.266 63.493 62.300 -0.121 0.000 1.049 358 V CB -0.288 31.453 31.823 -0.136 0.000 0.672 358 V HN 0.218 nan 8.190 nan 0.000 0.457 359 I N 0.799 121.209 120.570 -0.266 0.000 2.233 359 I HA -0.106 3.936 4.170 -0.213 0.000 0.243 359 I C 2.723 178.745 176.117 -0.157 0.000 1.093 359 I CA 1.735 62.843 61.300 -0.320 0.000 1.380 359 I CB -1.794 35.930 38.000 -0.461 0.000 1.067 359 I HN 0.272 nan 8.210 nan 0.000 0.413 360 A N 1.119 123.879 122.820 -0.101 0.000 1.908 360 A HA -0.114 4.078 4.320 -0.213 0.000 0.218 360 A C 2.498 180.035 177.584 -0.078 0.000 1.181 360 A CA 1.915 53.916 52.037 -0.061 0.000 0.627 360 A CB -1.382 17.603 19.000 -0.024 0.000 0.818 360 A HN 0.434 nan 8.150 nan 0.000 0.445 361 G N -0.364 108.384 108.800 -0.086 0.000 2.432 361 G HA2 -0.141 3.691 3.960 -0.213 0.000 0.219 361 G HA3 -0.141 3.691 3.960 -0.213 0.000 0.219 361 G C 1.533 176.350 174.900 -0.140 0.000 1.135 361 G CA 1.020 46.060 45.100 -0.100 0.000 0.767 361 G HN 0.446 nan 8.290 nan 0.000 0.550 362 L N -0.324 120.836 121.223 -0.105 0.000 2.056 362 L HA 0.067 4.280 4.340 -0.213 0.000 0.207 362 L C 2.848 179.662 176.870 -0.094 0.000 1.078 362 L CA 0.444 55.245 54.840 -0.064 0.000 0.749 362 L CB -0.309 41.740 42.059 -0.018 0.000 0.901 362 L HN 0.173 nan 8.230 nan 0.000 0.433 363 L N -0.602 120.574 121.223 -0.079 0.000 2.093 363 L HA -0.165 4.048 4.340 -0.213 0.000 0.208 363 L C 2.425 179.238 176.870 -0.096 0.000 1.085 363 L CA 1.246 56.053 54.840 -0.054 0.000 0.755 363 L CB -0.312 41.725 42.059 -0.036 0.000 0.904 363 L HN 0.184 nan 8.230 nan 0.000 0.435 364 R N 0.022 120.439 120.500 -0.137 0.000 2.310 364 R HA 0.052 4.265 4.340 -0.213 0.000 0.202 364 R C 0.066 176.214 176.300 -0.253 0.000 0.933 364 R CA -0.067 55.944 56.100 -0.148 0.000 1.054 364 R CB 0.145 30.377 30.300 -0.113 0.000 0.985 364 R HN 0.144 nan 8.270 nan 0.000 0.489 365 K N 1.436 121.560 120.400 -0.461 0.000 3.096 365 K HA -0.171 4.021 4.320 -0.213 0.000 0.266 365 K C -0.737 175.495 176.600 -0.614 0.000 1.043 365 K CA 0.807 56.527 56.287 -0.944 0.000 0.758 365 K CB -1.088 31.040 32.500 -0.621 0.000 1.260 365 K HN 0.163 nan 8.250 nan 0.000 0.481 366 D N 0.937 121.105 120.400 -0.387 0.000 2.461 366 D HA 0.131 4.644 4.640 -0.213 0.000 0.240 366 D C 0.572 176.819 176.300 -0.089 0.000 1.094 366 D CA -0.449 53.446 54.000 -0.175 0.000 0.868 366 D CB 0.744 41.469 40.800 -0.123 0.000 1.062 366 D HN 0.049 nan 8.370 nan 0.000 0.530 367 D N 1.867 122.256 120.400 -0.018 0.000 2.178 367 D HA -0.164 4.349 4.640 -0.213 0.000 0.202 367 D C 1.456 177.771 176.300 0.024 0.000 0.974 367 D CA 0.626 54.658 54.000 0.052 0.000 0.841 367 D CB 0.508 41.362 40.800 0.089 0.000 0.953 367 D HN 0.492 nan 8.370 nan 0.000 0.478 368 Q N 1.147 120.949 119.800 0.003 0.000 2.119 368 Q HA -0.141 4.071 4.340 -0.213 0.000 0.201 368 Q C 1.912 177.908 176.000 -0.008 0.000 0.972 368 Q CA 0.993 56.796 55.803 -0.001 0.000 0.847 368 Q CB 0.023 28.756 28.738 -0.007 0.000 0.903 368 Q HN 0.390 nan 8.270 nan 0.000 0.433 369 E N -0.089 120.099 120.200 -0.020 0.000 2.077 369 E HA -0.146 4.076 4.350 -0.213 0.000 0.193 369 E C 2.182 178.771 176.600 -0.019 0.000 0.989 369 E CA 0.776 57.161 56.400 -0.025 0.000 0.800 369 E CB -0.043 29.633 29.700 -0.040 0.000 0.746 369 E HN 0.349 nan 8.360 nan 0.000 0.452 370 I N 0.953 121.516 120.570 -0.011 0.000 2.099 370 I HA -0.321 3.722 4.170 -0.213 0.000 0.239 370 I C 2.739 178.863 176.117 0.012 0.000 1.066 370 I CA 1.609 62.910 61.300 0.002 0.000 1.324 370 I CB -0.394 37.627 38.000 0.034 0.000 1.037 370 I HN 0.196 nan 8.210 nan 0.000 0.401 371 S N 0.361 116.072 115.700 0.019 0.000 2.368 371 S HA -0.180 4.163 4.470 -0.213 0.000 0.224 371 S C 2.130 176.740 174.600 0.017 0.000 1.029 371 S CA 1.259 59.472 58.200 0.022 0.000 0.988 371 S CB -0.882 62.333 63.200 0.024 0.000 0.838 371 S HN 0.558 nan 8.310 nan 0.000 0.462 372 S N 1.437 117.142 115.700 0.008 0.000 2.402 372 S HA -0.095 4.247 4.470 -0.213 0.000 0.229 372 S C 1.880 176.481 174.600 0.002 0.000 1.021 372 S CA 1.422 59.624 58.200 0.004 0.000 0.974 372 S CB -1.460 61.738 63.200 -0.003 0.000 0.800 372 S HN 0.562 nan 8.310 nan 0.000 0.484 373 T N 2.498 117.050 114.554 -0.003 0.000 2.812 373 T HA 0.199 4.421 4.350 -0.213 0.000 0.264 373 T C 1.714 176.420 174.700 0.010 0.000 1.042 373 T CA 1.246 63.342 62.100 -0.008 0.000 1.140 373 T CB -0.406 68.451 68.868 -0.017 0.000 0.870 373 T HN 0.370 nan 8.240 nan 0.000 0.445 374 I N 0.514 121.098 120.570 0.023 0.000 2.179 374 I HA -0.151 3.891 4.170 -0.213 0.000 0.242 374 I C 2.824 178.979 176.117 0.062 0.000 1.088 374 I CA 1.206 62.535 61.300 0.048 0.000 1.357 374 I CB -0.238 37.791 38.000 0.050 0.000 1.051 374 I HN 0.076 nan 8.210 nan 0.000 0.409 375 R N 0.155 120.683 120.500 0.047 0.000 2.103 375 R HA -0.208 4.005 4.340 -0.213 0.000 0.242 375 R C 2.580 178.907 176.300 0.046 0.000 1.142 375 R CA 1.894 58.024 56.100 0.049 0.000 0.960 375 R CB -0.336 29.984 30.300 0.033 0.000 0.858 375 R HN 0.234 nan 8.270 nan 0.000 0.439 376 S N 0.017 115.732 115.700 0.024 0.000 2.368 376 S HA -0.081 4.262 4.470 -0.213 0.000 0.225 376 S C 1.871 176.480 174.600 0.016 0.000 1.030 376 S CA 1.066 59.270 58.200 0.007 0.000 0.999 376 S CB -0.144 63.042 63.200 -0.023 0.000 0.844 376 S HN 0.300 nan 8.310 nan 0.000 0.459 377 I N 1.282 121.870 120.570 0.031 0.000 2.361 377 I HA -0.160 3.883 4.170 -0.213 0.000 0.251 377 I C 2.348 178.488 176.117 0.037 0.000 1.133 377 I CA 1.357 62.675 61.300 0.030 0.000 1.413 377 I CB -0.329 37.703 38.000 0.052 0.000 1.073 377 I HN 0.411 nan 8.210 nan 0.000 0.424 378 E N 0.163 120.442 120.200 0.131 0.000 2.333 378 E HA -0.300 3.922 4.350 -0.213 0.000 0.198 378 E C 1.992 178.721 176.600 0.214 0.000 1.007 378 E CA 0.614 57.181 56.400 0.278 0.000 0.845 378 E CB -0.104 29.748 29.700 0.253 0.000 0.766 378 E HN 0.509 nan 8.360 nan 0.000 0.507 379 Q N 0.716 120.575 119.800 0.098 0.000 2.234 379 Q HA -0.159 4.054 4.340 -0.213 0.000 0.206 379 Q C 2.127 178.167 176.000 0.066 0.000 0.980 379 Q CA 0.883 56.730 55.803 0.073 0.000 0.869 379 Q CB 0.008 28.762 28.738 0.026 0.000 0.912 379 Q HN 0.183 nan 8.270 nan 0.000 0.436 380 V N 0.103 120.008 119.914 -0.016 0.000 2.594 380 V HA -0.206 3.786 4.120 -0.213 0.000 0.253 380 V C 1.174 177.336 176.094 0.113 0.000 1.069 380 V CA 1.513 63.788 62.300 -0.043 0.000 1.082 380 V CB -0.427 31.279 31.823 -0.195 0.000 0.680 380 V HN 0.443 nan 8.190 nan 0.000 0.469 381 F N 0.338 120.479 119.950 0.318 0.000 2.748 381 F HA 0.190 4.589 4.527 -0.213 0.000 0.299 381 F C 1.316 177.250 175.800 0.222 0.000 1.154 381 F CA 0.201 58.373 58.000 0.287 0.000 1.446 381 F CB -0.219 38.838 39.000 0.096 0.000 1.112 381 F HN 0.030 nan 8.300 nan 0.000 0.584 382 K N 1.601 122.185 120.400 0.307 0.000 2.258 382 K HA 0.241 4.433 4.320 -0.213 0.000 0.284 382 K C -0.432 176.282 176.600 0.189 0.000 1.051 382 K CA -0.784 55.621 56.287 0.195 0.000 0.923 382 K CB 1.522 34.091 32.500 0.115 0.000 1.046 382 K HN -0.110 nan 8.250 nan 0.000 0.474 383 L N 3.316 124.632 121.223 0.154 0.000 2.456 383 L HA 0.082 4.294 4.340 -0.213 0.000 0.272 383 L C 0.278 177.129 176.870 -0.031 0.000 1.189 383 L CA 0.010 54.911 54.840 0.103 0.000 0.846 383 L CB 0.854 42.949 42.059 0.060 0.000 1.111 383 L HN 0.407 nan 8.230 nan 0.000 0.475 384 V N 0.147 119.945 119.914 -0.193 0.000 2.994 384 V HA 0.702 4.694 4.120 -0.213 0.000 0.318 384 V C -0.030 175.794 176.094 -0.451 0.000 1.085 384 V CA -0.540 61.568 62.300 -0.319 0.000 0.998 384 V CB 1.880 33.456 31.823 -0.412 0.000 1.063 384 V HN 0.816 nan 8.190 nan 0.000 0.447 385 D N -0.473 119.775 120.400 -0.252 0.000 2.469 385 D HA 0.296 4.808 4.640 -0.213 0.000 0.215 385 D C 0.272 176.625 176.300 0.089 0.000 1.154 385 D CA -0.003 53.959 54.000 -0.064 0.000 0.832 385 D CB 0.445 41.272 40.800 0.045 0.000 1.008 385 D HN 0.659 nan 8.370 nan 0.000 0.506 386 Q N -0.409 119.371 119.800 -0.034 0.000 2.435 386 Q HA 0.470 4.683 4.340 -0.213 0.000 0.282 386 Q C 0.000 176.015 176.000 0.025 0.000 1.020 386 Q CA -0.383 55.478 55.803 0.097 0.000 0.820 386 Q CB 2.162 30.934 28.738 0.057 0.000 1.436 386 Q HN 0.198 nan 8.270 nan 0.000 0.395 387 G N 1.643 110.503 108.800 0.100 0.000 2.553 387 G HA2 -0.257 3.576 3.960 -0.213 0.000 0.242 387 G HA3 -0.257 3.576 3.960 -0.213 0.000 0.242 387 G C -0.877 174.021 174.900 -0.004 0.000 1.277 387 G CA -0.098 45.018 45.100 0.025 0.000 0.910 387 G HN 0.600 nan 8.290 nan 0.000 0.576 388 E N 0.705 120.847 120.200 -0.097 0.000 2.331 388 E HA 0.529 4.751 4.350 -0.213 0.000 0.272 388 E C 0.650 177.077 176.600 -0.288 0.000 1.036 388 E CA 0.418 56.694 56.400 -0.206 0.000 0.864 388 E CB 1.236 30.817 29.700 -0.199 0.000 1.035 388 E HN 1.830 nan 8.360 nan 0.000 0.408 389 G N 1.373 109.863 108.800 -0.517 0.000 2.334 389 G HA2 -0.053 3.780 3.960 -0.213 0.000 0.315 389 G HA3 -0.053 3.780 3.960 -0.213 0.000 0.315 389 G C -1.494 173.144 174.900 -0.437 0.000 1.284 389 G CA -1.166 43.650 45.100 -0.474 0.000 0.985 389 G HN 0.289 nan 8.290 nan 0.000 0.504 390 F N 0.439 120.370 119.950 -0.031 0.000 2.396 390 F HA 0.708 5.107 4.527 -0.213 0.000 0.343 390 F C 0.354 176.202 175.800 0.080 0.000 1.104 390 F CA -0.063 58.019 58.000 0.137 0.000 1.161 390 F CB 1.082 40.147 39.000 0.108 0.000 1.146 390 F HN 0.393 nan 8.300 nan 0.000 0.522 391 Y N 1.245 121.728 120.300 0.304 0.000 2.496 391 Y HA 0.160 4.582 4.550 -0.213 0.000 0.331 391 Y C 1.400 177.478 175.900 0.296 0.000 1.140 391 Y CA -0.849 57.386 58.100 0.225 0.000 1.166 391 Y CB 0.983 39.533 38.460 0.150 0.000 1.249 391 Y HN 0.600 nan 8.280 nan 0.000 0.479 392 Q N 1.151 121.162 119.800 0.352 0.000 2.152 392 Q HA -0.236 3.977 4.340 -0.213 0.000 0.206 392 Q C 0.714 176.965 176.000 0.418 0.000 0.985 392 Q CA 2.360 58.345 55.803 0.303 0.000 0.863 392 Q CB -0.267 28.574 28.738 0.171 0.000 0.904 392 Q HN 0.941 nan 8.270 nan 0.000 0.422 393 D N -1.334 119.276 120.400 0.349 0.000 2.363 393 D HA 0.065 4.578 4.640 -0.213 0.000 0.226 393 D C 1.141 177.660 176.300 0.365 0.000 1.020 393 D CA 1.007 55.169 54.000 0.269 0.000 0.892 393 D CB -0.020 40.878 40.800 0.163 0.000 0.900 393 D HN 0.543 nan 8.370 nan 0.000 0.531 394 G N -0.631 108.443 108.800 0.457 0.000 2.194 394 G HA2 -0.257 3.575 3.960 -0.213 0.000 0.236 394 G HA3 -0.257 3.575 3.960 -0.213 0.000 0.236 394 G C 0.398 175.482 174.900 0.306 0.000 0.987 394 G CA 0.155 45.538 45.100 0.472 0.000 0.635 394 G HN 0.432 nan 8.290 nan 0.000 0.520 395 S N -0.320 115.552 115.700 0.286 0.000 2.579 395 S HA 0.522 4.865 4.470 -0.213 0.000 0.275 395 S C -0.456 174.219 174.600 0.125 0.000 1.345 395 S CA 0.220 58.420 58.200 0.000 0.000 1.031 395 S CB 1.301 64.418 63.200 -0.137 0.000 0.892 395 S HN 0.774 nan 8.310 nan 0.000 0.529 396 Y N 1.892 122.081 120.300 -0.185 0.000 2.346 396 Y HA 0.529 4.952 4.550 -0.213 0.000 0.332 396 Y C -1.290 174.505 175.900 -0.175 0.000 0.985 396 Y CA -0.897 57.048 58.100 -0.258 0.000 1.112 396 Y CB 0.645 38.742 38.460 -0.605 0.000 1.170 396 Y HN 0.424 nan 8.280 nan 0.000 0.447 397 I N 5.891 126.085 120.570 -0.627 0.000 2.441 397 I HA 0.373 4.415 4.170 -0.213 0.000 0.295 397 I C -0.572 175.178 176.117 -0.612 0.000 0.994 397 I CA -0.370 60.691 61.300 -0.398 0.000 1.144 397 I CB 1.627 39.553 38.000 -0.124 0.000 1.314 397 I HN 0.704 nan 8.210 nan 0.000 0.445 398 D N 3.271 123.523 120.400 -0.246 0.000 2.592 398 D HA 0.338 4.850 4.640 -0.213 0.000 0.263 398 D C -0.282 176.027 176.300 0.015 0.000 1.132 398 D CA -0.237 53.638 54.000 -0.207 0.000 0.996 398 D CB 1.515 42.131 40.800 -0.308 0.000 1.442 398 D HN 0.620 nan 8.370 nan 0.000 0.486 399 H N 0.498 119.456 119.070 -0.187 0.000 2.692 399 H HA -0.220 4.208 4.556 -0.213 0.000 0.316 399 H C 0.419 175.714 175.328 -0.055 0.000 1.176 399 H CA 0.511 56.496 56.048 -0.105 0.000 1.142 399 H CB -1.058 28.694 29.762 -0.017 0.000 1.475 399 H HN 0.528 nan 8.280 nan 0.000 0.423 400 T N -1.242 113.327 114.554 0.025 0.000 12.788 400 T HA -0.328 3.894 4.350 -0.213 0.000 0.415 400 T C 0.917 175.622 174.700 0.008 0.000 1.469 400 T CA 2.038 64.138 62.100 -0.000 0.000 2.411 400 T CB -0.957 67.909 68.868 -0.004 0.000 2.796 400 T HN 0.762 nan 8.240 nan 0.000 0.707 401 N N 0.253 118.968 118.700 0.025 0.000 2.423 401 N HA 0.372 4.985 4.740 -0.213 0.000 0.262 401 N C -1.093 174.425 175.510 0.013 0.000 1.467 401 N CA -0.164 52.897 53.050 0.018 0.000 0.847 401 N CB -0.060 38.447 38.487 0.034 0.000 1.394 401 N HN 0.475 nan 8.380 nan 0.000 0.495 402 V N 0.784 120.707 119.914 0.015 0.000 2.417 402 V HA 0.781 4.773 4.120 -0.213 0.000 0.291 402 V C 0.627 176.677 176.094 -0.072 0.000 1.024 402 V CA -1.197 61.081 62.300 -0.037 0.000 0.861 402 V CB 1.222 33.031 31.823 -0.023 0.000 0.985 402 V HN 0.442 nan 8.190 nan 0.000 0.436 403 A N 4.056 126.800 122.820 -0.127 0.000 2.545 403 A HA 0.304 4.497 4.320 -0.213 0.000 0.253 403 A C -0.255 177.237 177.584 -0.153 0.000 1.074 403 A CA 0.665 52.625 52.037 -0.128 0.000 0.760 403 A CB -0.460 18.461 19.000 -0.131 0.000 1.005 403 A HN 0.850 nan 8.150 nan 0.000 0.506 404 Y N 1.685 121.981 120.300 -0.005 0.000 2.863 404 Y HA 0.109 4.532 4.550 -0.212 0.000 0.254 404 Y C 1.840 177.774 175.900 0.056 0.000 1.124 404 Y CA 0.090 58.232 58.100 0.070 0.000 1.203 404 Y CB -0.199 38.345 38.460 0.140 0.000 1.269 404 Y HN 0.725 nan 8.280 nan 0.000 0.586 405 T N -1.468 113.128 114.554 0.070 0.000 2.699 405 T HA -0.180 4.043 4.350 -0.213 0.000 0.268 405 T C 2.001 176.610 174.700 -0.151 0.000 1.036 405 T CA 1.865 63.812 62.100 -0.255 0.000 1.147 405 T CB -0.261 68.373 68.868 -0.390 0.000 0.862 405 T HN 0.546 nan 8.240 nan 0.000 0.446 406 G N -0.606 108.172 108.800 -0.037 0.000 3.233 406 G HA2 0.495 4.327 3.960 -0.213 0.000 0.227 406 G HA3 0.495 4.327 3.960 -0.213 0.000 0.227 406 G C 0.864 175.758 174.900 -0.011 0.000 1.175 406 G CA 0.558 45.656 45.100 -0.004 0.000 0.781 406 G HN 0.585 nan 8.290 nan 0.000 0.542 407 A N -0.417 122.401 122.820 -0.003 0.000 1.808 407 A HA 0.406 4.599 4.320 -0.213 0.000 0.190 407 A C 1.576 178.928 177.584 -0.386 0.000 1.822 407 A CA 0.106 52.031 52.037 -0.187 0.000 1.090 407 A CB -0.326 18.580 19.000 -0.156 0.000 1.004 407 A HN 0.087 nan 8.150 nan 0.000 0.602 408 Y N 1.332 121.426 120.300 -0.343 0.000 2.314 408 Y HA 0.036 4.458 4.550 -0.213 0.000 0.293 408 Y C 2.657 178.318 175.900 -0.397 0.000 1.129 408 Y CA 1.171 59.057 58.100 -0.355 0.000 1.201 408 Y CB -0.474 37.743 38.460 -0.404 0.000 0.999 408 Y HN 0.389 nan 8.280 nan 0.000 0.541 409 G N 0.005 108.509 108.800 -0.493 0.000 2.422 409 G HA2 -0.275 3.558 3.960 -0.213 0.000 0.218 409 G HA3 -0.275 3.558 3.960 -0.213 0.000 0.218 409 G C 1.512 176.395 174.900 -0.029 0.000 1.146 409 G CA 1.131 45.835 45.100 -0.662 0.000 0.769 409 G HN 0.306 nan 8.290 nan 0.000 0.547 410 N N 0.481 119.176 118.700 -0.009 0.000 2.069 410 N HA -0.118 4.495 4.740 -0.213 0.000 0.191 410 N C 2.259 177.708 175.510 -0.101 0.000 1.031 410 N CA 1.213 54.231 53.050 -0.054 0.000 0.852 410 N CB -0.732 37.699 38.487 -0.094 0.000 1.018 410 N HN 0.176 nan 8.380 nan 0.000 0.423 411 V N 1.318 121.156 119.914 -0.126 0.000 2.343 411 V HA -0.172 3.821 4.120 -0.213 0.000 0.247 411 V C 2.314 178.381 176.094 -0.045 0.000 1.051 411 V CA 1.104 63.345 62.300 -0.098 0.000 1.036 411 V CB -0.555 31.197 31.823 -0.118 0.000 0.654 411 V HN 0.294 nan 8.190 nan 0.000 0.451 412 L N -0.576 120.616 121.223 -0.052 0.000 1.970 412 L HA -0.212 4.000 4.340 -0.213 0.000 0.212 412 L C 2.316 179.202 176.870 0.025 0.000 1.071 412 L CA 2.139 56.964 54.840 -0.026 0.000 0.751 412 L CB -0.194 41.799 42.059 -0.110 0.000 0.889 412 L HN 0.277 nan 8.230 nan 0.000 0.432 413 I N -0.611 119.969 120.570 0.018 0.000 2.353 413 I HA -0.288 3.755 4.170 -0.213 0.000 0.248 413 I C 2.049 178.159 176.117 -0.010 0.000 1.119 413 I CA 1.648 62.967 61.300 0.031 0.000 1.417 413 I CB -0.095 37.816 38.000 -0.149 0.000 1.078 413 I HN 0.416 nan 8.210 nan 0.000 0.421 414 D N 0.447 120.814 120.400 -0.055 0.000 2.084 414 D HA -0.159 4.354 4.640 -0.213 0.000 0.194 414 D C 2.104 178.409 176.300 0.008 0.000 0.990 414 D CA 1.801 55.773 54.000 -0.047 0.000 0.826 414 D CB -0.450 40.307 40.800 -0.073 0.000 0.971 414 D HN 0.382 nan 8.370 nan 0.000 0.453 415 G N 0.111 108.929 108.800 0.031 0.000 2.402 415 G HA2 -0.191 3.641 3.960 -0.213 0.000 0.216 415 G HA3 -0.191 3.641 3.960 -0.213 0.000 0.216 415 G C 1.585 176.561 174.900 0.126 0.000 1.162 415 G CA 0.758 45.910 45.100 0.088 0.000 0.777 415 G HN 0.344 nan 8.290 nan 0.000 0.539 416 L N 1.957 123.248 121.223 0.114 0.000 2.083 416 L HA -0.041 4.172 4.340 -0.213 0.000 0.209 416 L C 3.121 180.081 176.870 0.150 0.000 1.083 416 L CA 2.408 57.336 54.840 0.146 0.000 0.752 416 L CB -0.540 41.627 42.059 0.179 0.000 0.899 416 L HN 0.343 nan 8.230 nan 0.000 0.433 417 S N -1.842 113.926 115.700 0.114 0.000 2.423 417 S HA -0.216 4.127 4.470 -0.213 0.000 0.231 417 S C 1.851 176.509 174.600 0.096 0.000 1.014 417 S CA 1.000 59.251 58.200 0.086 0.000 0.965 417 S CB -0.551 62.672 63.200 0.039 0.000 0.785 417 S HN 0.636 nan 8.310 nan 0.000 0.495 418 Q N -0.016 119.855 119.800 0.118 0.000 2.079 418 Q HA 0.055 4.268 4.340 -0.213 0.000 0.200 418 Q C 2.054 178.264 176.000 0.349 0.000 0.974 418 Q CA 1.127 57.030 55.803 0.167 0.000 0.840 418 Q CB -0.267 28.557 28.738 0.144 0.000 0.898 418 Q HN 0.410 nan 8.270 nan 0.000 0.430 419 L N 0.429 121.854 121.223 0.336 0.000 2.131 419 L HA -0.079 4.133 4.340 -0.213 0.000 0.206 419 L C 1.986 178.972 176.870 0.194 0.000 1.087 419 L CA 1.282 56.289 54.840 0.280 0.000 0.767 419 L CB -0.539 41.614 42.059 0.157 0.000 0.917 419 L HN 0.212 nan 8.230 nan 0.000 0.441 420 L N -0.249 121.076 121.223 0.171 0.000 2.042 420 L HA -0.196 4.017 4.340 -0.213 0.000 0.210 420 L C -0.202 176.738 176.870 0.117 0.000 1.076 420 L CA 1.376 56.299 54.840 0.138 0.000 0.749 420 L CB -1.713 40.424 42.059 0.130 0.000 0.893 420 L HN 0.232 nan 8.230 nan 0.000 0.432 421 P HA -0.134 nan 4.420 nan 0.000 0.218 421 P C 1.828 179.200 177.300 0.121 0.000 1.148 421 P CA 1.112 64.278 63.100 0.111 0.000 0.822 421 P CB 0.089 31.858 31.700 0.115 0.000 0.784 422 V N -0.604 119.402 119.914 0.153 0.000 2.346 422 V HA -0.174 3.818 4.120 -0.213 0.000 0.244 422 V C 2.349 178.489 176.094 0.077 0.000 1.037 422 V CA 1.385 63.762 62.300 0.129 0.000 1.029 422 V CB -1.009 30.901 31.823 0.146 0.000 0.663 422 V HN 0.026 nan 8.190 nan 0.000 0.454 423 I N -0.013 120.599 120.570 0.071 0.000 2.264 423 I HA -0.263 3.780 4.170 -0.213 0.000 0.248 423 I C 2.545 178.694 176.117 0.054 0.000 1.111 423 I CA 1.257 62.591 61.300 0.056 0.000 1.382 423 I CB -0.301 37.742 38.000 0.073 0.000 1.060 423 I HN 0.327 nan 8.210 nan 0.000 0.418 424 Q N 0.461 120.296 119.800 0.059 0.000 2.436 424 Q HA -0.107 4.105 4.340 -0.213 0.000 0.209 424 Q C 1.578 177.600 176.000 0.035 0.000 0.965 424 Q CA 1.118 56.947 55.803 0.043 0.000 0.910 424 Q CB -0.079 28.684 28.738 0.043 0.000 0.980 424 Q HN 0.456 nan 8.270 nan 0.000 0.491 425 K N 0.066 120.490 120.400 0.040 0.000 2.358 425 K HA 0.062 4.254 4.320 -0.213 0.000 0.200 425 K C 0.622 177.233 176.600 0.019 0.000 1.030 425 K CA 0.032 56.337 56.287 0.029 0.000 1.097 425 K CB 0.724 33.246 32.500 0.037 0.000 0.862 425 K HN 0.202 nan 8.250 nan 0.000 0.534 426 T N -1.860 112.709 114.554 0.025 0.000 2.771 426 T HA 0.160 4.382 4.350 -0.213 0.000 0.290 426 T C 1.016 175.725 174.700 0.014 0.000 1.005 426 T CA -0.446 61.666 62.100 0.021 0.000 0.944 426 T CB 0.918 69.809 68.868 0.038 0.000 1.147 426 T HN -0.112 nan 8.240 nan 0.000 0.534 427 K N 0.087 120.496 120.400 0.015 0.000 2.486 427 K HA 0.096 4.289 4.320 -0.213 0.000 0.194 427 K C 0.041 176.653 176.600 0.019 0.000 1.033 427 K CA 0.515 56.810 56.287 0.012 0.000 1.004 427 K CB -0.188 32.320 32.500 0.014 0.000 0.798 427 K HN 0.550 nan 8.250 nan 0.000 0.495 428 N N 1.165 119.881 118.700 0.025 0.000 2.757 428 N HA 0.132 4.745 4.740 -0.213 0.000 0.296 428 N C -2.784 172.743 175.510 0.029 0.000 1.874 428 N CA -1.258 51.808 53.050 0.027 0.000 0.885 428 N CB 1.071 39.577 38.487 0.032 0.000 1.242 428 N HN -0.022 nan 8.380 nan 0.000 0.488 429 P HA 0.063 nan 4.420 nan 0.000 0.271 429 P C -0.105 177.206 177.300 0.019 0.000 1.233 429 P CA -0.002 63.111 63.100 0.023 0.000 0.789 429 P CB 1.336 33.044 31.700 0.013 0.000 0.951 430 I N 1.255 121.835 120.570 0.016 0.000 2.440 430 I HA 0.125 4.167 4.170 -0.213 0.000 0.294 430 I C 0.710 176.792 176.117 -0.058 0.000 0.995 430 I CA -0.556 60.739 61.300 -0.008 0.000 1.306 430 I CB 0.324 38.327 38.000 0.005 0.000 1.407 430 I HN 0.176 nan 8.210 nan 0.000 0.501 431 D N 5.865 126.222 120.400 -0.071 0.000 2.488 431 D HA -0.018 4.494 4.640 -0.213 0.000 0.238 431 D C 0.846 177.065 176.300 -0.135 0.000 1.138 431 D CA 0.143 54.094 54.000 -0.082 0.000 0.873 431 D CB 0.818 41.577 40.800 -0.069 0.000 1.183 431 D HN 0.409 nan 8.370 nan 0.000 0.458 432 K N 1.494 121.834 120.400 -0.099 0.000 2.097 432 K HA -0.144 4.049 4.320 -0.213 0.000 0.206 432 K C 1.241 177.765 176.600 -0.127 0.000 1.049 432 K CA 1.115 57.340 56.287 -0.105 0.000 0.933 432 K CB -0.006 32.462 32.500 -0.053 0.000 0.717 432 K HN 0.343 nan 8.250 nan 0.000 0.442 433 D N 0.725 121.063 120.400 -0.104 0.000 2.116 433 D HA -0.149 4.363 4.640 -0.213 0.000 0.193 433 D C 1.594 177.805 176.300 -0.148 0.000 0.998 433 D CA 1.321 55.264 54.000 -0.095 0.000 0.836 433 D CB 0.052 40.813 40.800 -0.065 0.000 0.951 433 D HN 0.125 nan 8.370 nan 0.000 0.449 434 K N -0.246 120.032 120.400 -0.204 0.000 2.097 434 K HA -0.052 4.141 4.320 -0.213 0.000 0.206 434 K C 1.997 178.232 176.600 -0.609 0.000 1.049 434 K CA 0.865 56.979 56.287 -0.289 0.000 0.933 434 K CB -0.121 32.223 32.500 -0.260 0.000 0.717 434 K HN 0.234 nan 8.250 nan 0.000 0.442 435 M N 0.432 119.578 119.600 -0.758 0.000 2.557 435 M HA -0.117 4.235 4.480 -0.213 0.000 0.259 435 M C 1.848 177.842 176.300 -0.510 0.000 1.086 435 M CA 0.866 55.594 55.300 -0.953 0.000 1.096 435 M CB 0.094 32.322 32.600 -0.620 0.000 1.424 435 M HN -0.005 nan 8.290 nan 0.000 0.488 436 Q N 0.233 119.872 119.800 -0.268 0.000 2.291 436 Q HA -0.135 4.077 4.340 -0.213 0.000 0.206 436 Q C 1.992 177.906 176.000 -0.143 0.000 0.976 436 Q CA 2.039 57.811 55.803 -0.053 0.000 0.875 436 Q CB -0.425 28.317 28.738 0.007 0.000 0.927 436 Q HN 0.618 nan 8.270 nan 0.000 0.450 437 T N -2.841 111.553 114.554 -0.267 0.000 2.962 437 T HA -0.123 4.099 4.350 -0.213 0.000 0.270 437 T C 1.696 175.852 174.700 -0.906 0.000 1.088 437 T CA 1.091 62.982 62.100 -0.348 0.000 1.127 437 T CB -0.196 68.581 68.868 -0.151 0.000 0.883 437 T HN 0.244 nan 8.240 nan 0.000 0.493 438 M N 0.056 118.982 119.600 -1.123 0.000 2.149 438 M HA -0.061 4.291 4.480 -0.213 0.000 0.261 438 M C 1.958 177.781 176.300 -0.794 0.000 1.064 438 M CA 1.836 56.266 55.300 -1.450 0.000 1.102 438 M CB -0.655 31.345 32.600 -1.000 0.000 1.369 438 M HN 0.305 nan 8.290 nan 0.000 0.408 439 Y N -1.372 118.747 120.300 -0.301 0.000 2.293 439 Y HA -0.202 4.220 4.550 -0.213 0.000 0.291 439 Y C 2.551 178.406 175.900 -0.076 0.000 1.137 439 Y CA 1.237 59.258 58.100 -0.133 0.000 1.202 439 Y CB -1.122 37.282 38.460 -0.095 0.000 0.990 439 Y HN 0.360 nan 8.280 nan 0.000 0.537 440 H N -0.454 118.569 119.070 -0.079 0.000 2.353 440 H HA -0.198 4.230 4.556 -0.213 0.000 0.300 440 H C 1.499 176.865 175.328 0.063 0.000 1.090 440 H CA 2.113 58.153 56.048 -0.012 0.000 1.327 440 H CB -0.228 29.520 29.762 -0.023 0.000 1.383 440 H HN 0.326 nan 8.280 nan 0.000 0.508 441 W N 1.062 122.325 121.300 -0.062 0.000 2.335 441 W HA -0.146 4.386 4.660 -0.214 0.000 0.311 441 W C 2.699 179.239 176.519 0.036 0.000 1.213 441 W CA 0.291 57.486 57.345 -0.249 0.000 1.274 441 W CB -1.284 27.833 29.460 -0.571 0.000 1.148 441 W HN 0.212 nan 8.180 nan 0.000 0.498 442 I N 0.290 121.044 120.570 0.307 0.000 2.179 442 I HA -0.293 3.749 4.170 -0.213 0.000 0.242 442 I C 2.097 178.309 176.117 0.159 0.000 1.088 442 I CA 1.735 63.201 61.300 0.277 0.000 1.357 442 I CB -0.551 37.536 38.000 0.145 0.000 1.051 442 I HN -0.143 nan 8.210 nan 0.000 0.409 443 D N 0.375 120.811 120.400 0.059 0.000 2.162 443 D HA -0.100 4.412 4.640 -0.213 0.000 0.203 443 D C 2.169 178.431 176.300 -0.064 0.000 0.967 443 D CA 0.996 54.984 54.000 -0.020 0.000 0.840 443 D CB -0.038 40.736 40.800 -0.044 0.000 0.972 443 D HN 0.155 nan 8.370 nan 0.000 0.482 444 K N 0.090 120.424 120.400 -0.111 0.000 2.202 444 K HA 0.188 4.381 4.320 -0.213 0.000 0.201 444 K C 2.019 178.691 176.600 0.121 0.000 1.051 444 K CA 0.309 56.538 56.287 -0.098 0.000 0.977 444 K CB 0.460 32.716 32.500 -0.407 0.000 0.792 444 K HN -0.069 nan 8.250 nan 0.000 0.469 445 S N -0.153 115.589 115.700 0.070 0.000 2.510 445 S HA 0.141 4.484 4.470 -0.213 0.000 0.230 445 S C 1.640 176.129 174.600 -0.185 0.000 1.066 445 S CA 0.283 58.455 58.200 -0.047 0.000 0.941 445 S CB -0.018 63.111 63.200 -0.118 0.000 0.829 445 S HN 0.079 nan 8.310 nan 0.000 0.530 446 F N 1.921 121.902 119.950 0.052 0.000 2.243 446 F HA 0.345 4.745 4.527 -0.212 0.000 0.287 446 F C 2.583 178.361 175.800 -0.036 0.000 1.067 446 F CA 0.553 58.553 58.000 0.000 0.000 1.304 446 F CB -1.000 38.005 39.000 0.008 0.000 1.087 446 F HN 0.139 nan 8.300 nan 0.000 0.513 447 A N 0.786 123.684 122.820 0.131 0.000 1.917 447 A HA -0.173 4.019 4.320 -0.213 0.000 0.219 447 A C -0.322 177.175 177.584 -0.145 0.000 1.182 447 A CA 2.004 54.023 52.037 -0.030 0.000 0.633 447 A CB -2.119 16.826 19.000 -0.091 0.000 0.819 447 A HN 0.244 nan 8.150 nan 0.000 0.448 448 P HA -0.063 nan 4.420 nan 0.000 0.222 448 P C 0.949 178.311 177.300 0.103 0.000 1.147 448 P CA 0.742 63.706 63.100 -0.226 0.000 0.790 448 P CB -0.102 31.584 31.700 -0.022 0.000 0.780 449 L N -1.867 119.399 121.223 0.072 0.000 2.591 449 L HA 0.088 4.301 4.340 -0.213 0.000 0.228 449 L C 0.656 177.480 176.870 -0.077 0.000 1.133 449 L CA 0.056 54.903 54.840 0.012 0.000 0.880 449 L CB -0.352 41.685 42.059 -0.036 0.000 1.033 449 L HN -0.044 nan 8.230 nan 0.000 0.450 450 L N 0.647 121.832 121.223 -0.063 0.000 2.280 450 L HA 0.434 4.646 4.340 -0.213 0.000 0.287 450 L C -0.861 175.921 176.870 -0.148 0.000 1.023 450 L CA -0.397 54.376 54.840 -0.112 0.000 0.819 450 L CB 1.901 43.919 42.059 -0.068 0.000 1.212 450 L HN -0.242 nan 8.230 nan 0.000 0.420 451 V N 3.477 123.253 119.914 -0.230 0.000 2.482 451 V HA 0.310 4.302 4.120 -0.213 0.000 0.295 451 V C 0.008 176.035 176.094 -0.110 0.000 1.026 451 V CA -0.805 61.356 62.300 -0.233 0.000 0.856 451 V CB 1.440 33.091 31.823 -0.286 0.000 1.001 451 V HN 0.852 nan 8.190 nan 0.000 0.424 452 N N 3.949 122.629 118.700 -0.034 0.000 2.721 452 N HA -0.224 4.389 4.740 -0.213 0.000 0.249 452 N C 1.187 176.813 175.510 0.194 0.000 1.072 452 N CA 1.634 54.747 53.050 0.105 0.000 0.710 452 N CB -0.938 37.667 38.487 0.196 0.000 0.993 452 N HN 1.587 nan 8.380 nan 0.000 0.547 453 G N -0.672 108.182 108.800 0.090 0.000 2.176 453 G HA2 -0.326 3.506 3.960 -0.213 0.000 0.253 453 G HA3 -0.326 3.506 3.960 -0.213 0.000 0.253 453 G C -0.225 174.676 174.900 0.003 0.000 0.979 453 G CA 0.571 45.763 45.100 0.154 0.000 0.641 453 G HN 0.652 nan 8.290 nan 0.000 0.530 454 E N -0.127 119.911 120.200 -0.271 0.000 2.179 454 E HA 0.622 4.844 4.350 -0.213 0.000 0.275 454 E C -0.464 175.942 176.600 -0.323 0.000 0.945 454 E CA -1.073 55.006 56.400 -0.534 0.000 0.792 454 E CB 0.982 30.298 29.700 -0.641 0.000 1.125 454 E HN 0.195 nan 8.360 nan 0.000 0.397 455 L N 5.343 126.421 121.223 -0.243 0.000 2.265 455 L HA 0.323 4.535 4.340 -0.213 0.000 0.288 455 L C -0.367 176.383 176.870 -0.200 0.000 1.058 455 L CA 0.043 54.776 54.840 -0.178 0.000 0.809 455 L CB 0.787 42.783 42.059 -0.105 0.000 1.179 455 L HN 0.740 nan 8.230 nan 0.000 0.429 456 M N 4.463 123.913 119.600 -0.249 0.000 2.327 456 M HA -0.023 4.330 4.480 -0.213 0.000 0.353 456 M C 0.754 176.896 176.300 -0.262 0.000 1.539 456 M CA 0.057 55.184 55.300 -0.290 0.000 1.039 456 M CB 0.277 32.707 32.600 -0.282 0.000 1.967 456 M HN 0.589 nan 8.290 nan 0.000 0.459 457 D N 3.274 123.502 120.400 -0.288 0.000 2.218 457 D HA -0.165 4.347 4.640 -0.213 0.000 0.204 457 D C 1.848 178.014 176.300 -0.223 0.000 0.976 457 D CA 1.361 55.263 54.000 -0.164 0.000 0.853 457 D CB -0.091 40.796 40.800 0.146 0.000 0.939 457 D HN 0.716 nan 8.370 nan 0.000 0.481 458 M N -0.043 119.316 119.600 -0.401 0.000 2.549 458 M HA -0.039 4.313 4.480 -0.213 0.000 0.260 458 M C 1.555 177.749 176.300 -0.176 0.000 1.076 458 M CA 1.302 56.476 55.300 -0.210 0.000 1.090 458 M CB -0.099 32.384 32.600 -0.195 0.000 1.418 458 M HN -0.096 nan 8.290 nan 0.000 0.486 459 S N -0.097 115.489 115.700 -0.191 0.000 2.540 459 S HA 0.230 4.572 4.470 -0.213 0.000 0.218 459 S C 1.463 175.993 174.600 -0.117 0.000 0.977 459 S CA -0.664 57.436 58.200 -0.166 0.000 0.918 459 S CB -0.047 63.050 63.200 -0.172 0.000 0.806 459 S HN 0.656 nan 8.310 nan 0.000 0.496 460 R N 1.090 121.512 120.500 -0.130 0.000 2.393 460 R HA 0.349 4.562 4.340 -0.213 0.000 0.244 460 R C 1.627 177.897 176.300 -0.049 0.000 0.920 460 R CA 0.254 56.324 56.100 -0.049 0.000 1.076 460 R CB -0.055 30.198 30.300 -0.079 0.000 1.119 460 R HN 0.472 nan 8.270 nan 0.000 0.524 461 G N 3.120 111.731 108.800 -0.315 0.000 2.634 461 G HA2 -0.453 3.379 3.960 -0.213 0.000 0.309 461 G HA3 -0.453 3.379 3.960 -0.213 0.000 0.309 461 G C 0.725 175.527 174.900 -0.164 0.000 1.265 461 G CA 0.835 45.668 45.100 -0.445 0.000 0.998 461 G HN 0.517 nan 8.290 nan 0.000 0.551 462 R N 0.091 120.596 120.500 0.008 0.000 2.307 462 R HA 0.281 4.494 4.340 -0.213 0.000 0.199 462 R C 2.209 178.469 176.300 -0.067 0.000 1.000 462 R CA 1.667 57.750 56.100 -0.028 0.000 1.023 462 R CB -0.259 30.078 30.300 0.062 0.000 0.908 462 R HN 0.288 nan 8.270 nan 0.000 0.473 463 S N 1.875 117.546 115.700 -0.049 0.000 2.507 463 S HA -0.019 4.324 4.470 -0.213 0.000 0.235 463 S C 1.854 176.383 174.600 -0.118 0.000 0.988 463 S CA 0.993 59.143 58.200 -0.084 0.000 0.944 463 S CB -0.328 62.818 63.200 -0.089 0.000 0.762 463 S HN 0.563 nan 8.310 nan 0.000 0.526 464 I N 0.915 121.347 120.570 -0.230 0.000 2.530 464 I HA -0.103 3.940 4.170 -0.213 0.000 0.257 464 I C 1.802 177.808 176.117 -0.185 0.000 1.179 464 I CA 1.390 62.444 61.300 -0.411 0.000 1.440 464 I CB -0.614 36.728 38.000 -1.097 0.000 1.087 464 I HN 0.240 nan 8.210 nan 0.000 0.440 465 S N 0.496 116.149 115.700 -0.078 0.000 2.671 465 S HA 0.253 4.596 4.470 -0.213 0.000 0.220 465 S C 0.651 175.407 174.600 0.261 0.000 0.951 465 S CA -0.632 57.663 58.200 0.160 0.000 0.932 465 S CB -0.312 62.889 63.200 0.002 0.000 0.777 465 S HN 0.479 nan 8.310 nan 0.000 0.508 466 R N 0.576 121.112 120.500 0.059 0.000 2.265 466 R HA 0.604 4.817 4.340 -0.213 0.000 0.328 466 R C 1.035 176.985 176.300 -0.583 0.000 0.969 466 R CA 0.089 56.074 56.100 -0.192 0.000 0.832 466 R CB 1.200 31.408 30.300 -0.154 0.000 1.139 466 R HN 0.268 nan 8.270 nan 0.000 0.457 467 A N 3.491 125.632 122.820 -1.130 0.000 1.972 467 A HA -0.208 3.984 4.320 -0.213 0.000 0.219 467 A C 1.480 178.662 177.584 -0.669 0.000 1.169 467 A CA 1.615 52.642 52.037 -1.684 0.000 0.635 467 A CB -0.549 17.405 19.000 -1.744 0.000 0.810 467 A HN 0.950 nan 8.150 nan 0.000 0.446 468 N N -1.769 116.680 118.700 -0.418 0.000 2.383 468 N HA 0.063 4.676 4.740 -0.213 0.000 0.192 468 N C -0.000 175.415 175.510 -0.158 0.000 1.141 468 N CA 0.630 53.547 53.050 -0.222 0.000 0.851 468 N CB 0.196 38.580 38.487 -0.171 0.000 0.976 468 N HN 0.137 nan 8.380 nan 0.000 0.465 469 S N 0.178 115.778 115.700 -0.167 0.000 2.794 469 S HA 0.130 4.472 4.470 -0.213 0.000 0.244 469 S C -0.489 174.088 174.600 -0.039 0.000 1.045 469 S CA -0.648 57.487 58.200 -0.108 0.000 1.114 469 S CB 0.410 63.539 63.200 -0.118 0.000 1.085 469 S HN 0.310 nan 8.310 nan 0.000 0.488 470 E N 0.549 120.759 120.200 0.017 0.000 2.435 470 E HA 0.178 4.400 4.350 -0.213 0.000 0.256 470 E C 1.564 178.205 176.600 0.068 0.000 1.245 470 E CA 0.090 56.583 56.400 0.154 0.000 0.989 470 E CB 0.312 30.170 29.700 0.265 0.000 0.983 470 E HN 0.378 nan 8.360 nan 0.000 0.480 471 G N 0.323 109.195 108.800 0.120 0.000 2.442 471 G HA2 -0.262 3.571 3.960 -0.213 0.000 0.219 471 G HA3 -0.262 3.571 3.960 -0.213 0.000 0.219 471 G C 1.080 175.894 174.900 -0.144 0.000 1.141 471 G CA 0.705 45.799 45.100 -0.011 0.000 0.763 471 G HN 0.540 nan 8.290 nan 0.000 0.554 472 H N -0.198 118.831 119.070 -0.067 0.000 2.428 472 H HA 0.006 4.434 4.556 -0.213 0.000 0.296 472 H C 2.787 177.812 175.328 -0.506 0.000 1.062 472 H CA 1.182 57.105 56.048 -0.208 0.000 1.350 472 H CB -0.018 29.664 29.762 -0.134 0.000 1.403 472 H HN 0.237 nan 8.280 nan 0.000 0.533 473 V N 1.193 120.807 119.914 -0.500 0.000 2.307 473 V HA -0.200 3.792 4.120 -0.213 0.000 0.245 473 V C 2.871 178.867 176.094 -0.163 0.000 1.045 473 V CA 1.504 63.549 62.300 -0.424 0.000 1.024 473 V CB -0.988 30.669 31.823 -0.277 0.000 0.651 473 V HN 0.421 nan 8.190 nan 0.000 0.449 474 A N 0.183 122.925 122.820 -0.130 0.000 1.933 474 A HA -0.115 4.077 4.320 -0.213 0.000 0.218 474 A C 2.426 179.959 177.584 -0.085 0.000 1.175 474 A CA 2.007 53.986 52.037 -0.097 0.000 0.628 474 A CB -0.779 18.170 19.000 -0.086 0.000 0.814 474 A HN 0.586 nan 8.150 nan 0.000 0.444 475 A N -0.467 122.300 122.820 -0.089 0.000 1.940 475 A HA -0.055 4.137 4.320 -0.213 0.000 0.219 475 A C 2.156 179.712 177.584 -0.046 0.000 1.176 475 A CA 1.891 53.888 52.037 -0.067 0.000 0.631 475 A CB -0.862 18.098 19.000 -0.066 0.000 0.814 475 A HN 0.454 nan 8.150 nan 0.000 0.446 476 V N -0.001 119.901 119.914 -0.020 0.000 2.626 476 V HA -0.235 3.757 4.120 -0.213 0.000 0.252 476 V C 2.253 178.320 176.094 -0.044 0.000 1.067 476 V CA 1.978 64.278 62.300 -0.000 0.000 1.081 476 V CB -0.881 30.989 31.823 0.078 0.000 0.686 476 V HN 0.633 nan 8.190 nan 0.000 0.468 477 E N 0.155 120.316 120.200 -0.064 0.000 2.085 477 E HA -0.197 4.026 4.350 -0.213 0.000 0.194 477 E C 2.252 178.776 176.600 -0.127 0.000 0.994 477 E CA 1.667 58.013 56.400 -0.090 0.000 0.801 477 E CB -0.229 29.411 29.700 -0.100 0.000 0.743 477 E HN 0.485 nan 8.360 nan 0.000 0.453 478 V N 1.265 121.090 119.914 -0.148 0.000 2.323 478 V HA -0.230 3.762 4.120 -0.213 0.000 0.244 478 V C 2.316 178.293 176.094 -0.195 0.000 1.041 478 V CA 1.396 63.545 62.300 -0.252 0.000 1.025 478 V CB -0.431 31.248 31.823 -0.240 0.000 0.656 478 V HN 0.235 nan 8.190 nan 0.000 0.451 479 L N 0.558 121.712 121.223 -0.115 0.000 2.046 479 L HA -0.191 4.022 4.340 -0.213 0.000 0.208 479 L C 2.842 179.689 176.870 -0.039 0.000 1.077 479 L CA 2.077 56.872 54.840 -0.076 0.000 0.747 479 L CB -0.723 41.305 42.059 -0.053 0.000 0.896 479 L HN 0.436 nan 8.230 nan 0.000 0.432 480 R N 0.262 120.736 120.500 -0.045 0.000 2.115 480 R HA -0.059 4.153 4.340 -0.213 0.000 0.230 480 R C 2.152 178.433 176.300 -0.032 0.000 1.111 480 R CA 1.326 57.411 56.100 -0.025 0.000 0.976 480 R CB -0.999 29.270 30.300 -0.052 0.000 0.870 480 R HN 0.256 nan 8.270 nan 0.000 0.445 481 G N 2.096 110.853 108.800 -0.072 0.000 2.421 481 G HA2 -0.186 3.647 3.960 -0.213 0.000 0.216 481 G HA3 -0.186 3.647 3.960 -0.213 0.000 0.216 481 G C 1.566 176.440 174.900 -0.044 0.000 1.171 481 G CA 0.898 45.955 45.100 -0.072 0.000 0.775 481 G HN 0.230 nan 8.290 nan 0.000 0.543 482 I N 0.005 120.534 120.570 -0.067 0.000 2.208 482 I HA -0.227 3.815 4.170 -0.213 0.000 0.245 482 I C 2.583 178.738 176.117 0.063 0.000 1.097 482 I CA 1.338 62.623 61.300 -0.025 0.000 1.363 482 I CB -0.292 37.676 38.000 -0.054 0.000 1.051 482 I HN 0.155 nan 8.210 nan 0.000 0.413 483 H N 1.590 120.629 119.070 -0.052 0.000 2.389 483 H HA -0.038 4.392 4.556 -0.212 0.000 0.299 483 H C 2.306 177.617 175.328 -0.028 0.000 1.081 483 H CA 1.543 57.567 56.048 -0.039 0.000 1.345 483 H CB 0.028 29.756 29.762 -0.056 0.000 1.393 483 H HN 0.194 nan 8.280 nan 0.000 0.520 484 R N -0.436 120.091 120.500 0.045 0.000 2.096 484 R HA -0.054 4.158 4.340 -0.213 0.000 0.235 484 R C 2.594 178.915 176.300 0.037 0.000 1.127 484 R CA 1.463 57.557 56.100 -0.010 0.000 0.968 484 R CB -0.142 30.145 30.300 -0.022 0.000 0.861 484 R HN 0.314 nan 8.270 nan 0.000 0.440 485 I N 0.610 121.211 120.570 0.052 0.000 2.226 485 I HA -0.260 3.782 4.170 -0.213 0.000 0.245 485 I C 2.611 178.798 176.117 0.115 0.000 1.100 485 I CA 1.194 62.531 61.300 0.061 0.000 1.374 485 I CB -0.397 37.614 38.000 0.018 0.000 1.057 485 I HN 0.190 nan 8.210 nan 0.000 0.413 486 A N 0.388 123.286 122.820 0.130 0.000 1.883 486 A HA -0.325 3.867 4.320 -0.213 0.000 0.217 486 A C 2.009 179.658 177.584 0.110 0.000 1.186 486 A CA 2.455 54.571 52.037 0.132 0.000 0.624 486 A CB -0.812 18.270 19.000 0.136 0.000 0.822 486 A HN 0.437 nan 8.150 nan 0.000 0.444 487 D N -0.302 120.159 120.400 0.102 0.000 2.218 487 D HA -0.140 4.372 4.640 -0.213 0.000 0.204 487 D C 1.954 178.281 176.300 0.044 0.000 0.976 487 D CA 1.596 55.627 54.000 0.052 0.000 0.853 487 D CB -0.187 40.607 40.800 -0.011 0.000 0.939 487 D HN 0.638 nan 8.370 nan 0.000 0.481 488 M N -1.794 117.839 119.600 0.056 0.000 2.495 488 M HA 0.270 4.622 4.480 -0.213 0.000 0.237 488 M C 0.258 176.599 176.300 0.069 0.000 1.131 488 M CA -0.126 55.208 55.300 0.056 0.000 1.032 488 M CB 0.776 33.410 32.600 0.056 0.000 1.513 488 M HN -0.292 nan 8.290 nan 0.000 0.488 489 S N 1.497 117.248 115.700 0.084 0.000 2.738 489 S HA 0.507 4.850 4.470 -0.213 0.000 0.284 489 S C -0.238 174.380 174.600 0.031 0.000 1.146 489 S CA -0.837 57.411 58.200 0.079 0.000 0.997 489 S CB 1.130 64.396 63.200 0.109 0.000 1.081 489 S HN 0.559 nan 8.310 nan 0.000 0.553 490 E N -0.962 119.237 120.200 -0.002 0.000 2.416 490 E HA 0.660 4.882 4.350 -0.213 0.000 0.273 490 E C 0.319 176.898 176.600 -0.035 0.000 0.935 490 E CA -1.051 55.342 56.400 -0.012 0.000 0.784 490 E CB 0.940 30.634 29.700 -0.010 0.000 1.301 490 E HN 0.771 nan 8.360 nan 0.000 0.454 491 G N 1.820 110.604 108.800 -0.027 0.000 2.574 491 G HA2 -0.444 3.389 3.960 -0.213 0.000 0.286 491 G HA3 -0.444 3.389 3.960 -0.213 0.000 0.286 491 G C 0.732 175.605 174.900 -0.046 0.000 1.212 491 G CA 0.794 45.873 45.100 -0.035 0.000 0.979 491 G HN 0.697 nan 8.290 nan 0.000 0.557 492 E N -0.460 119.704 120.200 -0.058 0.000 2.150 492 E HA 0.061 4.283 4.350 -0.213 0.000 0.193 492 E C 2.854 179.400 176.600 -0.090 0.000 0.985 492 E CA 1.946 58.308 56.400 -0.064 0.000 0.814 492 E CB -0.304 29.359 29.700 -0.062 0.000 0.752 492 E HN 0.501 nan 8.360 nan 0.000 0.466 493 T N 0.217 114.692 114.554 -0.133 0.000 2.674 493 T HA -0.181 4.041 4.350 -0.213 0.000 0.265 493 T C 1.772 176.407 174.700 -0.108 0.000 1.039 493 T CA 1.533 63.511 62.100 -0.203 0.000 1.150 493 T CB -0.198 68.454 68.868 -0.360 0.000 0.864 493 T HN 0.141 nan 8.240 nan 0.000 0.427 494 K N 0.796 121.160 120.400 -0.060 0.000 2.032 494 K HA -0.187 4.005 4.320 -0.213 0.000 0.209 494 K C 2.451 179.043 176.600 -0.013 0.000 1.048 494 K CA 1.528 57.810 56.287 -0.008 0.000 0.927 494 K CB -0.108 32.395 32.500 0.005 0.000 0.712 494 K HN 0.344 nan 8.250 nan 0.000 0.441 495 Q N 0.024 119.808 119.800 -0.026 0.000 2.050 495 Q HA -0.199 4.013 4.340 -0.213 0.000 0.202 495 Q C 2.211 178.192 176.000 -0.032 0.000 0.980 495 Q CA 2.121 57.909 55.803 -0.025 0.000 0.840 495 Q CB -0.143 28.579 28.738 -0.026 0.000 0.898 495 Q HN 0.415 nan 8.270 nan 0.000 0.424 496 R N 0.338 120.814 120.500 -0.040 0.000 2.092 496 R HA -0.101 4.112 4.340 -0.213 0.000 0.231 496 R C 1.972 178.251 176.300 -0.035 0.000 1.119 496 R CA 1.218 57.295 56.100 -0.039 0.000 0.970 496 R CB -0.481 29.791 30.300 -0.046 0.000 0.864 496 R HN 0.209 nan 8.270 nan 0.000 0.440 497 L N 0.905 122.113 121.223 -0.025 0.000 2.072 497 L HA -0.085 4.127 4.340 -0.213 0.000 0.205 497 L C 2.784 179.617 176.870 -0.061 0.000 1.079 497 L CA 1.322 56.153 54.840 -0.014 0.000 0.752 497 L CB -0.524 41.559 42.059 0.039 0.000 0.906 497 L HN 0.293 nan 8.230 nan 0.000 0.436 498 Q N -0.389 119.370 119.800 -0.067 0.000 2.112 498 Q HA -0.217 3.996 4.340 -0.213 0.000 0.206 498 Q C 2.433 178.356 176.000 -0.129 0.000 0.987 498 Q CA 1.983 57.706 55.803 -0.133 0.000 0.858 498 Q CB -0.163 28.533 28.738 -0.070 0.000 0.905 498 Q HN 0.402 nan 8.270 nan 0.000 0.420 499 S N 0.711 116.366 115.700 -0.076 0.000 2.383 499 S HA -0.117 4.225 4.470 -0.213 0.000 0.227 499 S C 1.793 176.356 174.600 -0.061 0.000 1.026 499 S CA 0.761 58.926 58.200 -0.059 0.000 0.981 499 S CB -0.213 62.965 63.200 -0.037 0.000 0.818 499 S HN 0.243 nan 8.310 nan 0.000 0.472 500 L N 1.967 123.154 121.223 -0.061 0.000 1.989 500 L HA -0.060 4.153 4.340 -0.213 0.000 0.211 500 L C 2.170 178.993 176.870 -0.078 0.000 1.071 500 L CA 1.707 56.513 54.840 -0.057 0.000 0.749 500 L CB -0.819 41.212 42.059 -0.046 0.000 0.890 500 L HN 0.127 nan 8.230 nan 0.000 0.431 501 V N -0.069 119.775 119.914 -0.118 0.000 2.332 501 V HA -0.333 3.659 4.120 -0.213 0.000 0.248 501 V C 2.665 178.680 176.094 -0.131 0.000 1.055 501 V CA 2.233 64.444 62.300 -0.150 0.000 1.038 501 V CB -0.784 30.872 31.823 -0.277 0.000 0.651 501 V HN 0.534 nan 8.190 nan 0.000 0.450 502 K N -0.428 119.891 120.400 -0.134 0.000 2.026 502 K HA -0.213 3.979 4.320 -0.213 0.000 0.208 502 K C 2.375 178.945 176.600 -0.050 0.000 1.048 502 K CA 1.984 58.216 56.287 -0.092 0.000 0.929 502 K CB -0.397 32.056 32.500 -0.080 0.000 0.713 502 K HN 0.450 nan 8.250 nan 0.000 0.439 503 T N 0.488 115.018 114.554 -0.041 0.000 2.867 503 T HA -0.041 4.182 4.350 -0.213 0.000 0.268 503 T C 1.790 176.482 174.700 -0.013 0.000 1.057 503 T CA 1.108 63.198 62.100 -0.017 0.000 1.136 503 T CB -0.112 68.751 68.868 -0.008 0.000 0.874 503 T HN 0.211 nan 8.240 nan 0.000 0.466 504 I N 0.474 121.027 120.570 -0.028 0.000 2.202 504 I HA -0.110 3.932 4.170 -0.213 0.000 0.242 504 I C 2.488 178.609 176.117 0.006 0.000 1.091 504 I CA 0.863 62.152 61.300 -0.019 0.000 1.368 504 I CB -0.288 37.691 38.000 -0.035 0.000 1.058 504 I HN 0.121 nan 8.210 nan 0.000 0.410 505 V N 0.421 120.327 119.914 -0.013 0.000 2.343 505 V HA -0.304 3.688 4.120 -0.213 0.000 0.247 505 V C 2.327 178.429 176.094 0.013 0.000 1.051 505 V CA 1.830 64.125 62.300 -0.008 0.000 1.036 505 V CB -0.698 31.089 31.823 -0.059 0.000 0.654 505 V HN 0.486 nan 8.190 nan 0.000 0.451 506 Q N 0.080 119.886 119.800 0.009 0.000 2.297 506 Q HA -0.113 4.100 4.340 -0.213 0.000 0.204 506 Q C 2.348 178.374 176.000 0.043 0.000 0.962 506 Q CA 1.474 57.291 55.803 0.024 0.000 0.879 506 Q CB -0.165 28.583 28.738 0.017 0.000 0.947 506 Q HN 0.806 nan 8.270 nan 0.000 0.462 507 S N 0.060 115.790 115.700 0.050 0.000 2.489 507 S HA -0.078 4.264 4.470 -0.213 0.000 0.228 507 S C 0.667 175.330 174.600 0.104 0.000 0.995 507 S CA 0.264 58.507 58.200 0.073 0.000 0.934 507 S CB 0.142 63.380 63.200 0.062 0.000 0.771 507 S HN 0.099 nan 8.310 nan 0.000 0.522 508 D N 2.508 122.974 120.400 0.110 0.000 2.441 508 D HA 0.279 4.791 4.640 -0.213 0.000 0.221 508 D C 0.929 177.294 176.300 0.108 0.000 1.156 508 D CA 0.014 54.107 54.000 0.154 0.000 0.896 508 D CB 1.091 42.012 40.800 0.201 0.000 1.028 508 D HN 0.382 nan 8.370 nan 0.000 0.509 509 S N 2.729 118.499 115.700 0.117 0.000 2.562 509 S HA -0.111 4.231 4.470 -0.213 0.000 0.221 509 S C 1.535 176.195 174.600 0.101 0.000 0.975 509 S CA -0.075 58.180 58.200 0.091 0.000 0.918 509 S CB -0.186 63.070 63.200 0.094 0.000 0.772 509 S HN 0.571 nan 8.310 nan 0.000 0.531 510 Y N 1.109 121.382 120.300 -0.045 0.000 2.353 510 Y HA 0.383 4.806 4.550 -0.212 0.000 0.294 510 Y C 0.304 176.173 175.900 -0.052 0.000 1.135 510 Y CA -0.431 57.614 58.100 -0.093 0.000 1.176 510 Y CB -0.011 38.313 38.460 -0.226 0.000 1.124 510 Y HN 0.293 nan 8.280 nan 0.000 0.537 511 Y N 1.864 121.912 120.300 -0.419 0.000 2.377 511 Y HA 0.365 4.787 4.550 -0.213 0.000 0.339 511 Y C -0.953 174.853 175.900 -0.157 0.000 1.011 511 Y CA -1.919 55.945 58.100 -0.394 0.000 1.093 511 Y CB 0.789 39.104 38.460 -0.241 0.000 1.201 511 Y HN 0.068 nan 8.280 nan 0.000 0.455 512 D N 4.973 124.944 120.400 -0.716 0.000 2.365 512 D HA 0.033 4.545 4.640 -0.213 0.000 0.237 512 D C 0.891 176.810 176.300 -0.634 0.000 1.190 512 D CA 0.236 53.949 54.000 -0.479 0.000 0.867 512 D CB 1.393 41.994 40.800 -0.332 0.000 1.050 512 D HN 0.568 nan 8.370 nan 0.000 0.491 513 V N 5.035 124.748 119.914 -0.334 0.000 2.453 513 V HA -0.271 3.721 4.120 -0.213 0.000 0.252 513 V C 1.673 177.583 176.094 -0.307 0.000 1.068 513 V CA 1.758 63.898 62.300 -0.267 0.000 1.070 513 V CB -0.668 30.973 31.823 -0.304 0.000 0.664 513 V HN 0.567 nan 8.190 nan 0.000 0.461 514 F N 0.526 120.392 119.950 -0.140 0.000 2.333 514 F HA -0.096 4.303 4.527 -0.213 0.000 0.300 514 F C 2.264 178.002 175.800 -0.103 0.000 1.083 514 F CA 1.514 59.459 58.000 -0.093 0.000 1.395 514 F CB -0.517 38.436 39.000 -0.078 0.000 1.056 514 F HN 0.157 nan 8.300 nan 0.000 0.529 515 K N -0.460 119.902 120.400 -0.062 0.000 2.360 515 K HA -0.167 4.026 4.320 -0.213 0.000 0.201 515 K C 0.819 177.457 176.600 0.063 0.000 1.046 515 K CA 1.087 57.343 56.287 -0.052 0.000 0.945 515 K CB -0.219 32.156 32.500 -0.208 0.000 0.750 515 K HN 0.090 nan 8.250 nan 0.000 0.464 516 N N 0.368 119.121 118.700 0.088 0.000 2.365 516 N HA 0.148 4.761 4.740 -0.213 0.000 0.257 516 N C -1.411 174.113 175.510 0.024 0.000 1.287 516 N CA -0.087 53.017 53.050 0.091 0.000 0.882 516 N CB 0.512 39.096 38.487 0.163 0.000 1.250 516 N HN -0.055 nan 8.380 nan 0.000 0.507 517 L N 0.980 122.213 121.223 0.017 0.000 2.276 517 L HA 0.471 4.683 4.340 -0.213 0.000 0.286 517 L C 0.599 177.468 176.870 -0.003 0.000 1.024 517 L CA -0.474 54.365 54.840 -0.002 0.000 0.826 517 L CB 1.352 43.418 42.059 0.010 0.000 1.211 517 L HN -0.197 nan 8.230 nan 0.000 0.422 518 K N 1.695 122.060 120.400 -0.059 0.000 2.478 518 K HA 0.236 4.428 4.320 -0.213 0.000 0.205 518 K C 0.213 176.699 176.600 -0.190 0.000 1.033 518 K CA -0.021 56.205 56.287 -0.102 0.000 1.091 518 K CB 0.958 33.401 32.500 -0.095 0.000 0.844 518 K HN 0.688 nan 8.250 nan 0.000 0.507 519 T N -3.598 110.838 114.554 -0.197 0.000 2.896 519 T HA 0.395 4.618 4.350 -0.213 0.000 0.297 519 T C 0.644 175.217 174.700 -0.212 0.000 1.108 519 T CA -0.645 61.276 62.100 -0.299 0.000 1.004 519 T CB 0.811 69.554 68.868 -0.208 0.000 1.159 519 T HN -0.070 nan 8.240 nan 0.000 0.499 520 Y N 0.608 120.948 120.300 0.066 0.000 2.293 520 Y HA 0.191 4.611 4.550 -0.216 0.000 0.291 520 Y C 2.620 178.514 175.900 -0.010 0.000 1.137 520 Y CA 0.652 58.808 58.100 0.094 0.000 1.202 520 Y CB -0.275 38.312 38.460 0.211 0.000 0.990 520 Y HN 0.597 nan 8.280 nan 0.000 0.537 521 K N 0.497 120.904 120.400 0.010 0.000 2.097 521 K HA -0.159 4.033 4.320 -0.213 0.000 0.205 521 K C 1.126 177.607 176.600 -0.198 0.000 1.050 521 K CA 1.457 57.572 56.287 -0.287 0.000 0.938 521 K CB -0.160 32.105 32.500 -0.393 0.000 0.718 521 K HN 0.300 nan 8.250 nan 0.000 0.442 522 D N 0.851 121.178 120.400 -0.123 0.000 2.144 522 D HA -0.124 4.388 4.640 -0.213 0.000 0.200 522 D C 2.019 178.301 176.300 -0.031 0.000 0.978 522 D CA 0.912 54.844 54.000 -0.113 0.000 0.833 522 D CB -0.097 40.648 40.800 -0.092 0.000 0.961 522 D HN 0.266 nan 8.370 nan 0.000 0.470 523 I N 0.590 121.202 120.570 0.069 0.000 2.179 523 I HA -0.255 3.788 4.170 -0.213 0.000 0.242 523 I C 2.607 178.830 176.117 0.176 0.000 1.088 523 I CA 0.844 62.284 61.300 0.233 0.000 1.357 523 I CB -0.249 37.906 38.000 0.258 0.000 1.051 523 I HN -0.060 nan 8.210 nan 0.000 0.409 524 S N 1.029 116.758 115.700 0.049 0.000 2.370 524 S HA -0.156 4.186 4.470 -0.213 0.000 0.226 524 S C 2.098 176.681 174.600 -0.029 0.000 1.033 524 S CA 1.351 59.546 58.200 -0.009 0.000 1.011 524 S CB -0.337 62.804 63.200 -0.098 0.000 0.852 524 S HN 0.310 nan 8.310 nan 0.000 0.457 525 L N 0.322 121.476 121.223 -0.116 0.000 2.046 525 L HA -0.104 4.108 4.340 -0.213 0.000 0.208 525 L C 2.711 179.596 176.870 0.026 0.000 1.077 525 L CA 1.678 56.404 54.840 -0.189 0.000 0.747 525 L CB -0.429 41.307 42.059 -0.539 0.000 0.896 525 L HN 0.414 nan 8.230 nan 0.000 0.432 526 M N -0.375 119.271 119.600 0.076 0.000 2.132 526 M HA -0.210 4.142 4.480 -0.213 0.000 0.263 526 M C 2.218 178.643 176.300 0.209 0.000 1.065 526 M CA 1.802 57.212 55.300 0.182 0.000 1.122 526 M CB -0.328 32.260 32.600 -0.020 0.000 1.365 526 M HN 0.118 nan 8.290 nan 0.000 0.411 527 Q N -0.672 119.283 119.800 0.258 0.000 2.096 527 Q HA -0.168 4.044 4.340 -0.213 0.000 0.204 527 Q C 2.086 178.158 176.000 0.120 0.000 0.982 527 Q CA 2.239 58.171 55.803 0.215 0.000 0.850 527 Q CB -0.365 28.452 28.738 0.132 0.000 0.901 527 Q HN 0.775 nan 8.270 nan 0.000 0.422 528 S N 0.405 116.162 115.700 0.094 0.000 2.406 528 S HA -0.119 4.224 4.470 -0.213 0.000 0.228 528 S C 1.896 176.543 174.600 0.077 0.000 1.020 528 S CA 0.720 58.959 58.200 0.066 0.000 0.965 528 S CB -0.331 62.894 63.200 0.042 0.000 0.798 528 S HN 0.285 nan 8.310 nan 0.000 0.488 529 L N 1.602 122.898 121.223 0.121 0.000 2.017 529 L HA 0.122 4.335 4.340 -0.213 0.000 0.208 529 L C 2.284 179.176 176.870 0.036 0.000 1.073 529 L CA 1.664 56.552 54.840 0.080 0.000 0.745 529 L CB -0.655 41.450 42.059 0.076 0.000 0.894 529 L HN 0.345 nan 8.230 nan 0.000 0.432 530 L N -0.710 120.547 121.223 0.056 0.000 2.201 530 L HA -0.117 4.096 4.340 -0.213 0.000 0.212 530 L C 2.315 179.209 176.870 0.040 0.000 1.105 530 L CA 1.254 56.120 54.840 0.044 0.000 0.775 530 L CB -0.628 41.476 42.059 0.075 0.000 0.913 530 L HN 0.529 nan 8.230 nan 0.000 0.440 531 S N -2.873 112.853 115.700 0.044 0.000 2.535 531 S HA -0.007 4.336 4.470 -0.213 0.000 0.214 531 S C 0.684 175.297 174.600 0.021 0.000 0.980 531 S CA -0.399 57.819 58.200 0.030 0.000 0.907 531 S CB -0.129 63.088 63.200 0.028 0.000 0.790 531 S HN 0.214 nan 8.310 nan 0.000 0.510 532 D N 2.200 122.613 120.400 0.022 0.000 2.374 532 D HA 0.521 5.033 4.640 -0.213 0.000 0.240 532 D C 1.158 177.464 176.300 0.009 0.000 1.229 532 D CA 0.061 54.070 54.000 0.016 0.000 0.895 532 D CB 1.080 41.892 40.800 0.019 0.000 1.046 532 D HN 0.212 nan 8.370 nan 0.000 0.498 533 A N 3.283 126.108 122.820 0.008 0.000 2.076 533 A HA -0.064 4.128 4.320 -0.213 0.000 0.220 533 A C 2.028 179.613 177.584 0.003 0.000 1.160 533 A CA 1.537 53.577 52.037 0.005 0.000 0.653 533 A CB -0.446 18.557 19.000 0.005 0.000 0.801 533 A HN 0.604 nan 8.150 nan 0.000 0.455 534 G N -1.033 107.769 108.800 0.003 0.000 2.534 534 G HA2 0.204 4.037 3.960 -0.213 0.000 0.217 534 G HA3 0.204 4.037 3.960 -0.213 0.000 0.217 534 G C 0.452 175.351 174.900 -0.002 0.000 1.128 534 G CA 0.721 45.821 45.100 0.001 0.000 0.784 534 G HN 0.291 nan 8.290 nan 0.000 0.542 535 V N 1.769 121.680 119.914 -0.003 0.000 2.368 535 V HA 0.584 4.576 4.120 -0.213 0.000 0.266 535 V C 0.769 176.856 176.094 -0.012 0.000 1.045 535 V CA -1.120 61.173 62.300 -0.011 0.000 0.899 535 V CB 0.502 32.315 31.823 -0.018 0.000 1.006 535 V HN 0.391 nan 8.190 nan 0.000 0.470 536 A N 4.234 127.047 122.820 -0.012 0.000 2.498 536 A HA 0.462 4.654 4.320 -0.213 0.000 0.239 536 A C 0.573 178.150 177.584 -0.012 0.000 1.068 536 A CA 0.207 52.239 52.037 -0.009 0.000 0.766 536 A CB 0.422 19.418 19.000 -0.007 0.000 1.003 536 A HN 0.882 nan 8.150 nan 0.000 0.497 537 S N 1.889 117.586 115.700 -0.005 0.000 2.652 537 S HA 0.508 4.850 4.470 -0.213 0.000 0.252 537 S C -1.077 173.528 174.600 0.008 0.000 1.219 537 S CA -0.469 57.729 58.200 -0.003 0.000 1.151 537 S CB 0.100 63.298 63.200 -0.003 0.000 1.080 537 S HN 0.717 nan 8.310 nan 0.000 0.481 538 V N 6.145 126.066 119.914 0.011 0.000 2.495 538 V HA 0.525 4.518 4.120 -0.213 0.000 0.298 538 V C -2.200 173.914 176.094 0.034 0.000 1.031 538 V CA -2.055 60.258 62.300 0.022 0.000 0.871 538 V CB 1.651 33.486 31.823 0.020 0.000 0.988 538 V HN 0.648 nan 8.190 nan 0.000 0.432 539 P HA 0.030 nan 4.420 nan 0.000 0.261 539 P C -0.119 177.236 177.300 0.091 0.000 1.165 539 P CA 0.167 63.311 63.100 0.073 0.000 0.759 539 P CB 0.271 32.022 31.700 0.085 0.000 0.772 540 R N 1.469 122.032 120.500 0.104 0.000 2.640 540 R HA 0.126 4.338 4.340 -0.213 0.000 0.270 540 R C 0.851 177.295 176.300 0.239 0.000 1.024 540 R CA 0.243 56.424 56.100 0.136 0.000 1.085 540 R CB -0.181 30.171 30.300 0.086 0.000 0.963 540 R HN 0.413 nan 8.270 nan 0.000 0.426 541 T N 0.483 115.163 114.554 0.210 0.000 2.788 541 T HA 0.114 4.336 4.350 -0.213 0.000 0.280 541 T C 0.179 175.045 174.700 0.276 0.000 0.984 541 T CA -0.367 61.846 62.100 0.188 0.000 0.972 541 T CB 0.674 69.613 68.868 0.118 0.000 1.039 541 T HN 0.515 nan 8.240 nan 0.000 0.530 542 S N 1.738 117.500 115.700 0.104 0.000 2.562 542 S HA 0.438 4.780 4.470 -0.213 0.000 0.281 542 S C -0.952 173.716 174.600 0.114 0.000 1.333 542 S CA -0.211 57.979 58.200 -0.016 0.000 1.052 542 S CB -0.178 62.935 63.200 -0.145 0.000 0.884 542 S HN 0.646 nan 8.310 nan 0.000 0.506 543 Y N -0.149 120.193 120.300 0.070 0.000 2.638 543 Y HA 0.780 5.202 4.550 -0.212 0.000 0.335 543 Y C -1.501 174.414 175.900 0.025 0.000 1.155 543 Y CA -1.560 56.565 58.100 0.042 0.000 1.046 543 Y CB 1.171 39.661 38.460 0.051 0.000 1.303 543 Y HN 0.515 nan 8.280 nan 0.000 0.460 544 L N 2.289 123.631 121.223 0.198 0.000 2.528 544 L HA 0.637 4.850 4.340 -0.213 0.000 0.267 544 L C -1.467 175.418 176.870 0.025 0.000 0.961 544 L CA -0.340 54.557 54.840 0.096 0.000 0.866 544 L CB 1.998 44.068 42.059 0.019 0.000 1.248 544 L HN 0.844 nan 8.230 nan 0.000 0.404 545 S N 3.432 119.091 115.700 -0.068 0.000 2.456 545 S HA 0.653 4.995 4.470 -0.213 0.000 0.316 545 S C 0.023 174.298 174.600 -0.542 0.000 1.089 545 S CA -0.461 57.486 58.200 -0.422 0.000 1.101 545 S CB 1.654 64.372 63.200 -0.803 0.000 0.995 545 S HN 0.661 nan 8.310 nan 0.000 0.468 546 A N 3.392 125.949 122.820 -0.437 0.000 2.621 546 A HA 0.532 4.725 4.320 -0.213 0.000 0.329 546 A C -0.465 176.935 177.584 -0.307 0.000 1.458 546 A CA -0.485 51.361 52.037 -0.318 0.000 1.052 546 A CB -0.704 18.145 19.000 -0.251 0.000 1.142 546 A HN 0.689 nan 8.150 nan 0.000 0.523 547 F N 2.168 122.085 119.950 -0.054 0.000 2.659 547 F HA 0.118 4.518 4.527 -0.212 0.000 0.360 547 F C 1.360 177.108 175.800 -0.087 0.000 1.218 547 F CA -0.540 57.424 58.000 -0.060 0.000 1.317 547 F CB -0.441 38.531 39.000 -0.047 0.000 1.697 547 F HN 0.545 nan 8.300 nan 0.000 0.637 548 N N 1.015 119.722 118.700 0.012 0.000 2.223 548 N HA -0.134 4.479 4.740 -0.213 0.000 0.185 548 N C 1.762 177.265 175.510 -0.013 0.000 1.016 548 N CA 0.874 53.912 53.050 -0.021 0.000 0.863 548 N CB 0.140 38.559 38.487 -0.114 0.000 0.983 548 N HN 0.277 nan 8.380 nan 0.000 0.429 549 K N 0.826 121.184 120.400 -0.070 0.000 2.504 549 K HA 0.012 4.205 4.320 -0.213 0.000 0.195 549 K C 1.479 177.896 176.600 -0.306 0.000 1.036 549 K CA 0.402 56.533 56.287 -0.260 0.000 0.984 549 K CB -0.021 32.140 32.500 -0.565 0.000 0.788 549 K HN 0.481 nan 8.250 nan 0.000 0.488 550 M N -1.936 117.578 119.600 -0.142 0.000 2.511 550 M HA 0.254 4.606 4.480 -0.213 0.000 0.387 550 M C -1.126 175.171 176.300 -0.005 0.000 1.112 550 M CA -0.100 55.139 55.300 -0.101 0.000 0.921 550 M CB 0.597 33.114 32.600 -0.139 0.000 1.501 550 M HN -0.208 nan 8.290 nan 0.000 0.538 551 D N 1.824 122.241 120.400 0.027 0.000 2.772 551 D HA -0.105 4.407 4.640 -0.213 0.000 0.233 551 D C -0.754 175.583 176.300 0.062 0.000 1.143 551 D CA 1.030 55.064 54.000 0.056 0.000 0.700 551 D CB -0.561 40.293 40.800 0.089 0.000 1.076 551 D HN 0.497 nan 8.370 nan 0.000 0.430 552 K N -0.092 120.361 120.400 0.089 0.000 2.385 552 K HA 0.669 4.862 4.320 -0.213 0.000 0.248 552 K C 0.122 176.815 176.600 0.155 0.000 0.955 552 K CA -0.480 55.871 56.287 0.108 0.000 0.816 552 K CB 2.166 34.734 32.500 0.113 0.000 1.250 552 K HN -0.137 nan 8.250 nan 0.000 0.434 553 T N 0.497 115.101 114.554 0.084 0.000 2.881 553 T HA 0.646 4.868 4.350 -0.213 0.000 0.290 553 T C -1.143 173.615 174.700 0.097 0.000 1.000 553 T CA -0.702 61.426 62.100 0.046 0.000 0.978 553 T CB 1.749 70.617 68.868 -0.001 0.000 0.997 553 T HN 0.597 nan 8.240 nan 0.000 0.443 554 A N 3.715 126.602 122.820 0.110 0.000 2.343 554 A HA 0.879 5.071 4.320 -0.213 0.000 0.316 554 A C -0.643 177.067 177.584 0.209 0.000 1.104 554 A CA -0.778 51.383 52.037 0.206 0.000 0.768 554 A CB 1.235 20.426 19.000 0.317 0.000 1.213 554 A HN 0.865 nan 8.150 nan 0.000 0.456 555 M N 2.975 122.715 119.600 0.233 0.000 2.393 555 M HA 0.669 5.021 4.480 -0.213 0.000 0.299 555 M C -2.347 173.941 176.300 -0.021 0.000 1.103 555 M CA -0.638 54.728 55.300 0.110 0.000 0.910 555 M CB 1.987 34.731 32.600 0.241 0.000 1.659 555 M HN 0.799 nan 8.290 nan 0.000 0.445 556 Y N 3.659 123.621 120.300 -0.564 0.000 2.386 556 Y HA 0.439 4.862 4.550 -0.212 0.000 0.334 556 Y C -1.680 173.863 175.900 -0.595 0.000 1.002 556 Y CA -0.786 56.916 58.100 -0.664 0.000 1.068 556 Y CB 1.687 39.516 38.460 -1.051 0.000 1.203 556 Y HN 0.824 nan 8.280 nan 0.000 0.443 557 N N 4.194 122.049 118.700 -1.408 0.000 2.476 557 N HA 0.526 5.138 4.740 -0.213 0.000 0.257 557 N C 0.221 175.008 175.510 -1.205 0.000 0.970 557 N CA 0.300 52.674 53.050 -1.126 0.000 0.938 557 N CB 1.404 39.178 38.487 -1.188 0.000 1.144 557 N HN 0.818 nan 8.380 nan 0.000 0.500 558 A N 2.993 125.340 122.820 -0.787 0.000 1.970 558 A HA -0.101 4.091 4.320 -0.213 0.000 0.216 558 A C 1.869 179.336 177.584 -0.194 0.000 1.170 558 A CA 0.852 52.652 52.037 -0.395 0.000 0.645 558 A CB -0.367 18.604 19.000 -0.049 0.000 0.816 558 A HN 0.865 nan 8.150 nan 0.000 0.447 559 E N 0.165 120.255 120.200 -0.185 0.000 2.051 559 E HA -0.189 4.034 4.350 -0.213 0.000 0.192 559 E C 1.656 178.224 176.600 -0.053 0.000 0.991 559 E CA 1.406 57.755 56.400 -0.085 0.000 0.799 559 E CB -0.067 29.590 29.700 -0.071 0.000 0.748 559 E HN 0.588 nan 8.360 nan 0.000 0.449 560 K N -1.280 119.073 120.400 -0.079 0.000 2.334 560 K HA 0.132 4.325 4.320 -0.213 0.000 0.195 560 K C 0.569 177.211 176.600 0.070 0.000 1.045 560 K CA 0.503 56.814 56.287 0.040 0.000 1.004 560 K CB 0.950 33.551 32.500 0.169 0.000 0.837 560 K HN 0.264 nan 8.250 nan 0.000 0.510 561 G N 2.506 111.257 108.800 -0.082 0.000 2.303 561 G HA2 -0.224 3.608 3.960 -0.213 0.000 0.260 561 G HA3 -0.224 3.608 3.960 -0.213 0.000 0.260 561 G C -0.376 174.637 174.900 0.188 0.000 1.106 561 G CA 0.120 45.235 45.100 0.026 0.000 0.900 561 G HN 0.313 nan 8.290 nan 0.000 0.495 562 F N -0.936 119.013 119.950 -0.003 0.000 2.599 562 F HA 0.891 5.291 4.527 -0.213 0.000 0.311 562 F C 0.218 176.148 175.800 0.216 0.000 1.076 562 F CA -1.328 56.762 58.000 0.150 0.000 0.937 562 F CB 1.227 40.299 39.000 0.119 0.000 1.282 562 F HN 0.439 nan 8.300 nan 0.000 0.460 563 G N 1.118 110.293 108.800 0.624 0.000 2.511 563 G HA2 0.663 4.495 3.960 -0.213 0.000 0.318 563 G HA3 0.663 4.495 3.960 -0.213 0.000 0.318 563 G C -2.507 172.890 174.900 0.829 0.000 1.210 563 G CA -0.931 44.539 45.100 0.616 0.000 0.969 563 G HN 0.886 nan 8.290 nan 0.000 0.484 564 F N 0.455 120.713 119.950 0.512 0.000 2.574 564 F HA 0.670 5.069 4.527 -0.212 0.000 0.313 564 F C -0.076 175.959 175.800 0.392 0.000 1.130 564 F CA -0.698 57.590 58.000 0.480 0.000 0.936 564 F CB 2.121 41.379 39.000 0.430 0.000 1.219 564 F HN 0.759 nan 8.300 nan 0.000 0.445 565 G N 5.469 114.158 108.800 -0.185 0.000 2.530 565 G HA2 0.583 4.415 3.960 -0.213 0.000 0.316 565 G HA3 0.583 4.415 3.960 -0.213 0.000 0.316 565 G C -2.532 172.107 174.900 -0.435 0.000 1.298 565 G CA -0.743 44.257 45.100 -0.168 0.000 0.948 565 G HN 0.712 nan 8.290 nan 0.000 0.486 566 L N 2.177 123.203 121.223 -0.329 0.000 2.319 566 L HA 0.728 4.941 4.340 -0.213 0.000 0.281 566 L C -0.004 176.783 176.870 -0.139 0.000 1.005 566 L CA -0.593 54.047 54.840 -0.333 0.000 0.828 566 L CB 2.061 43.871 42.059 -0.414 0.000 1.227 566 L HN 0.383 nan 8.230 nan 0.000 0.415 567 S N 6.144 121.822 115.700 -0.038 0.000 2.520 567 S HA 0.741 5.084 4.470 -0.213 0.000 0.324 567 S C -0.593 174.070 174.600 0.104 0.000 1.069 567 S CA -0.581 57.662 58.200 0.073 0.000 1.121 567 S CB -0.111 63.211 63.200 0.203 0.000 0.971 567 S HN 0.600 nan 8.310 nan 0.000 0.463 568 L N 4.097 125.391 121.223 0.117 0.000 2.235 568 L HA 0.845 5.057 4.340 -0.213 0.000 0.260 568 L C -0.573 176.523 176.870 0.377 0.000 1.025 568 L CA -1.246 53.732 54.840 0.228 0.000 0.836 568 L CB 1.470 43.593 42.059 0.107 0.000 1.395 568 L HN 0.699 nan 8.230 nan 0.000 0.443 569 F N -1.149 118.896 119.950 0.159 0.000 2.745 569 F HA 0.855 5.255 4.527 -0.212 0.000 0.316 569 F C -0.551 175.345 175.800 0.161 0.000 1.155 569 F CA -0.699 57.386 58.000 0.141 0.000 0.937 569 F CB 1.296 40.392 39.000 0.160 0.000 1.361 569 F HN 0.561 nan 8.300 nan 0.000 0.472 570 S N -0.730 114.996 115.700 0.043 0.000 2.843 570 S HA 0.387 4.729 4.470 -0.213 0.000 0.301 570 S C 0.298 174.921 174.600 0.038 0.000 1.206 570 S CA -0.066 58.094 58.200 -0.066 0.000 0.875 570 S CB 0.557 63.764 63.200 0.012 0.000 1.248 570 S HN 1.473 nan 8.310 nan 0.000 0.555 571 S N 0.341 116.063 115.700 0.037 0.000 2.469 571 S HA -0.032 4.311 4.470 -0.213 0.000 0.238 571 S C 1.375 176.026 174.600 0.085 0.000 0.998 571 S CA 0.657 58.898 58.200 0.069 0.000 0.957 571 S CB -0.619 62.612 63.200 0.052 0.000 0.764 571 S HN 0.671 nan 8.310 nan 0.000 0.514 572 R N 1.303 121.850 120.500 0.079 0.000 2.280 572 R HA 0.166 4.379 4.340 -0.213 0.000 0.195 572 R C 0.175 176.524 176.300 0.081 0.000 0.935 572 R CA 0.925 57.066 56.100 0.068 0.000 1.033 572 R CB 0.253 30.578 30.300 0.042 0.000 0.964 572 R HN 0.635 nan 8.270 nan 0.000 0.489 573 T N -1.998 112.640 114.554 0.140 0.000 2.916 573 T HA 0.388 4.610 4.350 -0.213 0.000 0.305 573 T C -0.745 174.100 174.700 0.240 0.000 1.119 573 T CA -0.944 61.246 62.100 0.150 0.000 1.008 573 T CB 1.923 70.875 68.868 0.140 0.000 1.129 573 T HN -0.151 nan 8.240 nan 0.000 0.480 574 L N 3.340 124.637 121.223 0.123 0.000 2.380 574 L HA 0.307 4.519 4.340 -0.213 0.000 0.273 574 L C 1.578 178.407 176.870 -0.069 0.000 1.138 574 L CA -0.104 54.767 54.840 0.052 0.000 0.832 574 L CB 0.494 42.540 42.059 -0.022 0.000 1.124 574 L HN 0.891 nan 8.230 nan 0.000 0.454 575 N N 2.845 121.310 118.700 -0.391 0.000 2.058 575 N HA -0.136 4.477 4.740 -0.213 0.000 0.191 575 N C -0.401 175.030 175.510 -0.132 0.000 1.037 575 N CA 1.734 54.365 53.050 -0.699 0.000 0.848 575 N CB -0.455 37.199 38.487 -1.388 0.000 1.021 575 N HN 0.571 nan 8.380 nan 0.000 0.422 576 Y N -2.664 117.502 120.300 -0.224 0.000 2.581 576 Y HA 0.597 5.019 4.550 -0.213 0.000 0.337 576 Y C -1.261 174.583 175.900 -0.094 0.000 1.108 576 Y CA -1.841 56.163 58.100 -0.161 0.000 1.033 576 Y CB 0.818 39.183 38.460 -0.159 0.000 1.318 576 Y HN 0.057 nan 8.280 nan 0.000 0.459 577 E N 2.647 122.730 120.200 -0.195 0.000 2.081 577 E HA 0.208 4.430 4.350 -0.213 0.000 0.276 577 E C -1.646 174.922 176.600 -0.054 0.000 0.950 577 E CA -0.640 55.665 56.400 -0.157 0.000 0.776 577 E CB 0.515 30.227 29.700 0.019 0.000 1.094 577 E HN 0.888 nan 8.360 nan 0.000 0.402 578 H N 6.046 124.965 119.070 -0.252 0.000 2.638 578 H HA 0.460 4.889 4.556 -0.213 0.000 0.303 578 H C -0.997 174.305 175.328 -0.044 0.000 1.034 578 H CA -0.833 55.163 56.048 -0.087 0.000 1.225 578 H CB 0.776 30.508 29.762 -0.050 0.000 1.394 578 H HN 0.524 nan 8.280 nan 0.000 0.477 579 M N 4.770 124.575 119.600 0.343 0.000 2.465 579 M HA 0.184 4.536 4.480 -0.213 0.000 0.284 579 M C -0.960 175.457 176.300 0.196 0.000 1.212 579 M CA -0.551 54.876 55.300 0.211 0.000 0.910 579 M CB 1.675 34.376 32.600 0.169 0.000 1.725 579 M HN 0.836 nan 8.290 nan 0.000 0.477 580 N N 2.792 121.576 118.700 0.141 0.000 2.725 580 N HA -0.187 4.425 4.740 -0.213 0.000 0.249 580 N C -0.853 174.718 175.510 0.103 0.000 1.103 580 N CA 1.673 54.783 53.050 0.100 0.000 0.707 580 N CB -1.259 37.269 38.487 0.068 0.000 1.043 580 N HN 0.871 nan 8.380 nan 0.000 0.553 581 K N -2.360 118.142 120.400 0.169 0.000 3.281 581 K HA -0.240 3.953 4.320 -0.213 0.000 0.295 581 K C -0.668 175.936 176.600 0.008 0.000 1.233 581 K CA 1.332 57.701 56.287 0.138 0.000 0.866 581 K CB -1.318 31.237 32.500 0.092 0.000 1.265 581 K HN 0.578 nan 8.250 nan 0.000 0.482 582 E N 0.927 121.124 120.200 -0.005 0.000 2.195 582 E HA 0.312 4.534 4.350 -0.213 0.000 0.271 582 E C -0.075 176.421 176.600 -0.174 0.000 0.923 582 E CA -1.142 55.217 56.400 -0.068 0.000 0.790 582 E CB 1.186 30.881 29.700 -0.009 0.000 1.155 582 E HN 0.184 nan 8.360 nan 0.000 0.402 583 N N 1.744 120.322 118.700 -0.202 0.000 2.780 583 N HA -0.176 4.436 4.740 -0.213 0.000 0.247 583 N C -0.085 175.189 175.510 -0.393 0.000 1.076 583 N CA 0.572 53.475 53.050 -0.246 0.000 0.688 583 N CB -0.807 37.596 38.487 -0.139 0.000 0.957 583 N HN 0.557 nan 8.380 nan 0.000 0.551 584 K N -0.159 119.927 120.400 -0.524 0.000 2.280 584 K HA -0.007 4.185 4.320 -0.213 0.000 0.202 584 K C 0.756 176.942 176.600 -0.690 0.000 1.047 584 K CA 1.067 56.989 56.287 -0.608 0.000 0.942 584 K CB 0.070 32.339 32.500 -0.386 0.000 0.739 584 K HN 0.381 nan 8.250 nan 0.000 0.457 585 R N -0.345 119.607 120.500 -0.914 0.000 2.700 585 R HA 0.119 4.332 4.340 -0.213 0.000 0.399 585 R C 0.849 176.287 176.300 -1.438 0.000 1.115 585 R CA -0.200 54.850 56.100 -1.750 0.000 1.058 585 R CB 1.117 30.612 30.300 -1.342 0.000 1.389 585 R HN 0.067 nan 8.270 nan 0.000 0.582 586 G N 0.081 108.222 108.800 -1.099 0.000 3.124 586 G HA2 -0.095 3.738 3.960 -0.213 0.000 0.212 586 G HA3 -0.095 3.738 3.960 -0.213 0.000 0.212 586 G C 0.709 174.898 174.900 -1.185 0.000 1.181 586 G CA -0.352 44.261 45.100 -0.812 0.000 0.803 586 G HN 0.333 nan 8.290 nan 0.000 0.529 587 W N 0.513 120.987 121.300 -1.378 0.000 2.275 587 W HA -0.192 4.340 4.660 -0.212 0.000 0.321 587 W C 1.037 177.058 176.519 -0.830 0.000 1.269 587 W CA 0.924 57.377 57.345 -1.487 0.000 1.274 587 W CB -0.901 27.613 29.460 -1.577 0.000 1.141 587 W HN 0.370 nan 8.180 nan 0.000 0.493 588 Y N 0.140 120.416 120.300 -0.041 0.000 2.584 588 Y HA 0.095 4.518 4.550 -0.212 0.000 0.254 588 Y C 2.190 178.146 175.900 0.094 0.000 1.177 588 Y CA 0.385 58.544 58.100 0.098 0.000 1.216 588 Y CB -1.226 37.323 38.460 0.147 0.000 1.172 588 Y HN -0.104 nan 8.280 nan 0.000 0.529 589 T N -4.489 110.143 114.554 0.130 0.000 3.113 589 T HA -0.027 4.195 4.350 -0.213 0.000 0.263 589 T C 1.203 176.024 174.700 0.201 0.000 1.143 589 T CA 1.156 63.357 62.100 0.168 0.000 1.090 589 T CB -0.144 68.794 68.868 0.118 0.000 0.922 589 T HN 0.112 nan 8.240 nan 0.000 0.521 590 S N 0.760 116.591 115.700 0.217 0.000 2.846 590 S HA 0.220 4.562 4.470 -0.213 0.000 0.249 590 S C -0.310 174.587 174.600 0.495 0.000 1.028 590 S CA -0.504 57.872 58.200 0.294 0.000 1.043 590 S CB 0.379 63.706 63.200 0.210 0.000 0.990 590 S HN 0.323 nan 8.310 nan 0.000 0.564 591 D N 2.218 122.889 120.400 0.451 0.000 3.038 591 D HA 0.379 4.892 4.640 -0.213 0.000 0.243 591 D C 1.147 177.586 176.300 0.233 0.000 1.245 591 D CA 0.261 54.535 54.000 0.455 0.000 0.871 591 D CB -0.313 40.731 40.800 0.408 0.000 1.089 591 D HN 0.444 nan 8.370 nan 0.000 0.464 592 G N 1.352 110.354 108.800 0.336 0.000 2.182 592 G HA2 -0.330 3.502 3.960 -0.213 0.000 0.248 592 G HA3 -0.330 3.502 3.960 -0.213 0.000 0.248 592 G C 0.355 175.493 174.900 0.397 0.000 1.042 592 G CA 0.075 45.426 45.100 0.418 0.000 0.775 592 G HN 0.432 nan 8.290 nan 0.000 0.501 593 M N 0.453 120.214 119.600 0.268 0.000 2.228 593 M HA 0.619 4.971 4.480 -0.213 0.000 0.351 593 M C 0.480 176.897 176.300 0.196 0.000 1.233 593 M CA -0.600 54.827 55.300 0.212 0.000 1.129 593 M CB 0.177 32.850 32.600 0.122 0.000 1.604 593 M HN 0.535 nan 8.290 nan 0.000 0.457 594 F N 3.976 123.972 119.950 0.076 0.000 2.556 594 F HA 0.715 5.115 4.527 -0.212 0.000 0.327 594 F C -2.278 173.437 175.800 -0.143 0.000 1.059 594 F CA -1.058 56.937 58.000 -0.007 0.000 0.953 594 F CB 0.826 39.988 39.000 0.269 0.000 1.227 594 F HN 0.456 nan 8.300 nan 0.000 0.478 595 Y N 2.765 122.898 120.300 -0.278 0.000 2.409 595 Y HA 0.639 5.062 4.550 -0.213 0.000 0.343 595 Y C -1.036 174.816 175.900 -0.081 0.000 0.973 595 Y CA -1.127 56.748 58.100 -0.375 0.000 1.064 595 Y CB 2.016 40.131 38.460 -0.575 0.000 1.207 595 Y HN 0.786 nan 8.280 nan 0.000 0.452 596 L N 3.949 125.224 121.223 0.086 0.000 2.333 596 L HA 0.561 4.774 4.340 -0.213 0.000 0.280 596 L C -1.987 174.866 176.870 -0.028 0.000 1.004 596 L CA -0.897 54.076 54.840 0.221 0.000 0.820 596 L CB 0.596 42.829 42.059 0.289 0.000 1.247 596 L HN 0.479 nan 8.230 nan 0.000 0.416 597 Y N 5.450 125.990 120.300 0.400 0.000 2.402 597 Y HA 0.466 4.888 4.550 -0.213 0.000 0.332 597 Y C 0.276 176.361 175.900 0.307 0.000 0.960 597 Y CA -0.651 57.652 58.100 0.339 0.000 1.228 597 Y CB 0.607 39.254 38.460 0.311 0.000 1.120 597 Y HN 0.782 nan 8.280 nan 0.000 0.491 598 N N -0.094 118.787 118.700 0.301 0.000 3.255 598 N HA 0.367 4.979 4.740 -0.213 0.000 0.359 598 N C 1.326 176.953 175.510 0.195 0.000 1.463 598 N CA -0.359 52.835 53.050 0.240 0.000 0.695 598 N CB -0.126 38.439 38.487 0.131 0.000 1.581 598 N HN 0.443 nan 8.380 nan 0.000 0.622 599 G N -1.545 107.338 108.800 0.138 0.000 2.509 599 G HA2 -0.147 3.686 3.960 -0.213 0.000 0.218 599 G HA3 -0.147 3.686 3.960 -0.213 0.000 0.218 599 G C -0.021 174.924 174.900 0.075 0.000 1.124 599 G CA 0.703 45.870 45.100 0.111 0.000 0.776 599 G HN 0.701 nan 8.290 nan 0.000 0.547 600 D N 0.478 120.906 120.400 0.046 0.000 2.508 600 D HA 0.203 4.716 4.640 -0.213 0.000 0.224 600 D C 1.531 177.847 176.300 0.027 0.000 1.171 600 D CA -0.489 53.513 54.000 0.002 0.000 1.006 600 D CB 0.300 41.079 40.800 -0.036 0.000 1.073 600 D HN -0.093 nan 8.370 nan 0.000 0.513 601 L N 2.278 123.521 121.223 0.034 0.000 2.265 601 L HA -0.123 4.090 4.340 -0.213 0.000 0.215 601 L C 2.402 179.190 176.870 -0.137 0.000 1.117 601 L CA 1.303 56.206 54.840 0.105 0.000 0.782 601 L CB -0.672 41.477 42.059 0.151 0.000 0.914 601 L HN 0.444 nan 8.230 nan 0.000 0.441 602 S N -2.339 113.050 115.700 -0.517 0.000 2.607 602 S HA -0.163 4.180 4.470 -0.213 0.000 0.224 602 S C 2.043 176.462 174.600 -0.303 0.000 0.969 602 S CA 0.210 57.949 58.200 -0.768 0.000 0.927 602 S CB -0.734 62.063 63.200 -0.672 0.000 0.772 602 S HN 0.568 nan 8.310 nan 0.000 0.533 603 H N 0.829 119.717 119.070 -0.303 0.000 2.319 603 H HA -0.168 4.261 4.556 -0.213 0.000 0.297 603 H C 0.575 175.529 175.328 -0.624 0.000 1.097 603 H CA 2.104 57.867 56.048 -0.475 0.000 1.285 603 H CB -0.278 29.085 29.762 -0.665 0.000 1.368 603 H HN 0.635 nan 8.280 nan 0.000 0.495 604 Y N 0.516 120.637 120.300 -0.299 0.000 2.470 604 Y HA 0.190 4.612 4.550 -0.213 0.000 0.284 604 Y C 0.997 176.853 175.900 -0.073 0.000 1.188 604 Y CA -0.263 57.536 58.100 -0.502 0.000 1.269 604 Y CB 0.474 38.778 38.460 -0.260 0.000 1.094 604 Y HN -0.007 nan 8.280 nan 0.000 0.518 605 S N -1.272 114.479 115.700 0.084 0.000 2.801 605 S HA 0.247 4.590 4.470 -0.213 0.000 0.312 605 S C -0.398 174.320 174.600 0.197 0.000 1.112 605 S CA -0.780 57.566 58.200 0.244 0.000 0.943 605 S CB 0.811 64.196 63.200 0.309 0.000 1.269 605 S HN 0.236 nan 8.310 nan 0.000 0.558 606 D N 0.541 121.115 120.400 0.290 0.000 2.708 606 D HA -0.127 4.386 4.640 -0.213 0.000 0.236 606 D C 0.715 177.144 176.300 0.216 0.000 1.146 606 D CA 1.529 55.673 54.000 0.241 0.000 0.662 606 D CB -1.608 39.280 40.800 0.148 0.000 1.059 606 D HN 1.162 nan 8.370 nan 0.000 0.428 607 G N -1.005 108.002 108.800 0.346 0.000 2.137 607 G HA2 -0.457 3.375 3.960 -0.213 0.000 0.237 607 G HA3 -0.457 3.375 3.960 -0.213 0.000 0.237 607 G C 0.628 175.508 174.900 -0.033 0.000 1.002 607 G CA 0.762 45.961 45.100 0.164 0.000 0.702 607 G HN 0.516 nan 8.290 nan 0.000 0.515 608 Y N -0.425 119.813 120.300 -0.104 0.000 2.081 608 Y HA -0.149 4.274 4.550 -0.213 0.000 0.280 608 Y C 2.568 178.278 175.900 -0.318 0.000 1.163 608 Y CA 2.807 60.768 58.100 -0.232 0.000 1.135 608 Y CB -0.316 37.891 38.460 -0.422 0.000 0.970 608 Y HN 0.387 nan 8.280 nan 0.000 0.498 609 W N 1.000 122.253 121.300 -0.078 0.000 2.358 609 W HA -0.128 4.404 4.660 -0.213 0.000 0.303 609 W C -0.341 175.852 176.519 -0.543 0.000 1.208 609 W CA 1.288 58.478 57.345 -0.259 0.000 1.274 609 W CB -1.481 27.951 29.460 -0.046 0.000 1.138 609 W HN 0.193 nan 8.180 nan 0.000 0.515 610 P HA -0.002 nan 4.420 nan 0.000 0.241 610 P C 0.952 178.018 177.300 -0.391 0.000 1.191 610 P CA 1.722 64.484 63.100 -0.563 0.000 0.771 610 P CB 0.082 31.240 31.700 -0.904 0.000 0.929 611 T N -4.500 109.832 114.554 -0.370 0.000 2.971 611 T HA 0.131 4.353 4.350 -0.213 0.000 0.252 611 T C 0.766 175.155 174.700 -0.517 0.000 1.022 611 T CA -0.159 61.780 62.100 -0.268 0.000 0.980 611 T CB -0.674 68.174 68.868 -0.032 0.000 1.044 611 T HN -0.124 nan 8.240 nan 0.000 0.501 612 V N 3.616 123.073 119.914 -0.762 0.000 2.763 612 V HA 0.244 4.237 4.120 -0.213 0.000 0.306 612 V C 0.160 175.848 176.094 -0.677 0.000 1.059 612 V CA -0.496 61.125 62.300 -1.131 0.000 1.138 612 V CB 0.444 31.505 31.823 -1.270 0.000 0.940 612 V HN 0.566 nan 8.190 nan 0.000 0.489 613 N N 8.359 126.696 118.700 -0.605 0.000 2.405 613 N HA 0.262 4.874 4.740 -0.213 0.000 0.260 613 N C -1.485 173.944 175.510 -0.135 0.000 1.152 613 N CA -1.958 50.935 53.050 -0.261 0.000 0.948 613 N CB 1.443 39.819 38.487 -0.185 0.000 1.111 613 N HN 0.470 nan 8.380 nan 0.000 0.485 614 P HA -0.066 nan 4.420 nan 0.000 0.233 614 P C 0.400 177.757 177.300 0.094 0.000 1.167 614 P CA 0.880 63.921 63.100 -0.098 0.000 0.770 614 P CB 0.024 31.526 31.700 -0.331 0.000 0.837 615 Y N 0.744 121.197 120.300 0.254 0.000 2.544 615 Y HA 0.096 4.519 4.550 -0.212 0.000 0.286 615 Y C 1.428 177.427 175.900 0.165 0.000 1.141 615 Y CA 0.781 59.066 58.100 0.309 0.000 1.299 615 Y CB -0.010 38.560 38.460 0.183 0.000 1.030 615 Y HN -0.105 nan 8.280 nan 0.000 0.543 616 K N 0.274 120.793 120.400 0.198 0.000 3.237 616 K HA 0.224 4.416 4.320 -0.213 0.000 0.197 616 K C -0.689 175.936 176.600 0.042 0.000 1.133 616 K CA -0.324 56.015 56.287 0.086 0.000 0.944 616 K CB 0.401 32.918 32.500 0.029 0.000 0.952 616 K HN -0.028 nan 8.250 nan 0.000 0.515 617 M N 1.951 121.606 119.600 0.091 0.000 2.238 617 M HA 0.147 4.499 4.480 -0.213 0.000 0.350 617 M C -2.363 173.966 176.300 0.049 0.000 1.321 617 M CA -2.806 52.529 55.300 0.060 0.000 1.097 617 M CB -0.679 32.002 32.600 0.135 0.000 1.713 617 M HN -0.051 nan 8.290 nan 0.000 0.455 618 P HA 0.199 nan 4.420 nan 0.000 0.267 618 P C 0.894 178.338 177.300 0.240 0.000 1.205 618 P CA 0.859 63.966 63.100 0.011 0.000 0.765 618 P CB 0.564 32.064 31.700 -0.334 0.000 0.828 619 G N 1.869 110.937 108.800 0.446 0.000 2.268 619 G HA2 -0.224 3.608 3.960 -0.213 0.000 0.240 619 G HA3 -0.224 3.608 3.960 -0.213 0.000 0.240 619 G C 0.356 175.482 174.900 0.376 0.000 1.010 619 G CA 0.304 45.768 45.100 0.607 0.000 0.618 619 G HN 0.795 nan 8.290 nan 0.000 0.516 620 T N -0.441 114.248 114.554 0.225 0.000 2.909 620 T HA 0.594 4.817 4.350 -0.213 0.000 0.289 620 T C -0.047 174.684 174.700 0.052 0.000 1.005 620 T CA 0.561 62.727 62.100 0.109 0.000 1.084 620 T CB 2.005 70.918 68.868 0.075 0.000 0.975 620 T HN 0.358 nan 8.240 nan 0.000 0.509 621 T N 3.735 118.279 114.554 -0.017 0.000 2.772 621 T HA 0.550 4.772 4.350 -0.213 0.000 0.288 621 T C -0.651 174.109 174.700 0.099 0.000 0.994 621 T CA -0.707 61.446 62.100 0.087 0.000 0.951 621 T CB 0.825 69.781 68.868 0.148 0.000 0.933 621 T HN 0.672 nan 8.240 nan 0.000 0.447 622 E N 1.516 121.780 120.200 0.108 0.000 2.433 622 E HA 0.423 4.645 4.350 -0.213 0.000 0.278 622 E C -0.151 176.526 176.600 0.128 0.000 0.976 622 E CA -0.744 55.698 56.400 0.071 0.000 0.793 622 E CB 1.696 31.258 29.700 -0.231 0.000 1.311 622 E HN 0.666 nan 8.360 nan 0.000 0.460 623 T N -2.110 112.543 114.554 0.164 0.000 2.824 623 T HA 0.220 4.443 4.350 -0.213 0.000 0.277 623 T C 0.620 175.411 174.700 0.152 0.000 0.975 623 T CA -0.483 61.710 62.100 0.155 0.000 0.966 623 T CB 0.577 69.545 68.868 0.167 0.000 1.054 623 T HN 0.453 nan 8.240 nan 0.000 0.533 624 D N -0.475 119.990 120.400 0.107 0.000 2.358 624 D HA 0.208 4.720 4.640 -0.213 0.000 0.224 624 D C 0.792 177.115 176.300 0.039 0.000 1.123 624 D CA -0.464 53.567 54.000 0.052 0.000 0.833 624 D CB -0.817 39.976 40.800 -0.011 0.000 0.946 624 D HN 0.796 nan 8.370 nan 0.000 0.505 625 A N 0.930 123.838 122.820 0.147 0.000 2.531 625 A HA 0.103 4.295 4.320 -0.213 0.000 0.236 625 A C 0.610 178.264 177.584 0.117 0.000 1.062 625 A CA -0.283 51.852 52.037 0.163 0.000 0.760 625 A CB 0.058 19.253 19.000 0.324 0.000 0.995 625 A HN 0.349 nan 8.150 nan 0.000 0.501 626 K N 1.456 121.878 120.400 0.037 0.000 2.485 626 K HA 0.120 4.312 4.320 -0.213 0.000 0.277 626 K C -0.305 176.245 176.600 -0.082 0.000 0.990 626 K CA 0.282 56.573 56.287 0.007 0.000 0.994 626 K CB 0.353 32.850 32.500 -0.006 0.000 0.906 626 K HN 0.678 nan 8.250 nan 0.000 0.488 627 R N 1.755 122.087 120.500 -0.279 0.000 2.740 627 R HA 0.430 4.642 4.340 -0.213 0.000 0.282 627 R C -0.953 175.053 176.300 -0.490 0.000 0.969 627 R CA -0.878 54.711 56.100 -0.852 0.000 0.918 627 R CB 1.844 30.824 30.300 -2.201 0.000 1.175 627 R HN 0.766 nan 8.270 nan 0.000 0.464 628 A N 1.421 124.049 122.820 -0.319 0.000 2.331 628 A HA 0.230 4.423 4.320 -0.213 0.000 0.283 628 A C 0.344 178.092 177.584 0.274 0.000 1.142 628 A CA -0.435 51.608 52.037 0.010 0.000 0.812 628 A CB 0.315 19.327 19.000 0.021 0.000 1.074 628 A HN 0.621 nan 8.150 nan 0.000 0.497 629 D N 1.485 122.081 120.400 0.326 0.000 2.218 629 D HA -0.142 4.370 4.640 -0.213 0.000 0.204 629 D C 2.137 178.674 176.300 0.396 0.000 0.976 629 D CA 2.041 56.247 54.000 0.344 0.000 0.853 629 D CB -0.090 40.826 40.800 0.193 0.000 0.939 629 D HN 0.653 nan 8.370 nan 0.000 0.481 630 S N -0.067 115.798 115.700 0.275 0.000 2.515 630 S HA -0.061 4.282 4.470 -0.213 0.000 0.231 630 S C 0.612 175.283 174.600 0.118 0.000 0.987 630 S CA -0.134 58.180 58.200 0.189 0.000 0.936 630 S CB 0.013 63.275 63.200 0.104 0.000 0.766 630 S HN -0.036 nan 8.310 nan 0.000 0.528 631 D N 2.752 123.285 120.400 0.223 0.000 2.378 631 D HA 0.386 4.899 4.640 -0.213 0.000 0.238 631 D C 0.686 177.094 176.300 0.180 0.000 1.180 631 D CA 0.729 54.844 54.000 0.192 0.000 0.895 631 D CB 0.973 41.899 40.800 0.211 0.000 1.192 631 D HN 0.521 nan 8.370 nan 0.000 0.438 632 T N -2.766 111.826 114.554 0.063 0.000 2.907 632 T HA 0.697 4.919 4.350 -0.213 0.000 0.290 632 T C 0.522 175.133 174.700 -0.148 0.000 1.066 632 T CA -1.046 60.981 62.100 -0.122 0.000 1.012 632 T CB 1.320 70.084 68.868 -0.173 0.000 1.184 632 T HN 0.255 nan 8.240 nan 0.000 0.522 633 G N 0.648 109.174 108.800 -0.457 0.000 2.636 633 G HA2 0.531 4.364 3.960 -0.213 0.000 0.246 633 G HA3 0.531 4.364 3.960 -0.213 0.000 0.246 633 G C -0.683 174.190 174.900 -0.045 0.000 1.216 633 G CA -0.505 44.392 45.100 -0.338 0.000 0.854 633 G HN 0.682 nan 8.290 nan 0.000 0.572 634 K N -0.796 119.633 120.400 0.048 0.000 2.482 634 K HA 0.478 4.671 4.320 -0.213 0.000 0.257 634 K C 0.014 176.750 176.600 0.226 0.000 0.969 634 K CA -0.738 55.639 56.287 0.151 0.000 0.842 634 K CB 1.816 34.465 32.500 0.248 0.000 1.359 634 K HN 0.528 nan 8.250 nan 0.000 0.441 635 V N -1.044 119.034 119.914 0.274 0.000 3.036 635 V HA 0.459 4.451 4.120 -0.213 0.000 0.308 635 V C 0.157 176.530 176.094 0.465 0.000 1.070 635 V CA -1.007 61.532 62.300 0.398 0.000 1.056 635 V CB 0.836 32.796 31.823 0.228 0.000 1.084 635 V HN 0.605 nan 8.190 nan 0.000 0.471 636 L N 3.607 125.013 121.223 0.304 0.000 2.350 636 L HA 0.506 4.718 4.340 -0.213 0.000 0.275 636 L C -1.585 175.308 176.870 0.039 0.000 1.099 636 L CA -1.319 53.522 54.840 0.002 0.000 0.808 636 L CB 1.099 42.871 42.059 -0.477 0.000 1.149 636 L HN 0.507 nan 8.230 nan 0.000 0.442 637 P HA -0.119 nan 4.420 nan 0.000 0.216 637 P C -0.132 177.188 177.300 0.033 0.000 1.150 637 P CA 0.968 64.089 63.100 0.035 0.000 0.843 637 P CB 0.181 31.894 31.700 0.021 0.000 0.787 638 S N -1.750 113.967 115.700 0.028 0.000 2.578 638 S HA 0.559 4.901 4.470 -0.213 0.000 0.283 638 S C 0.954 175.588 174.600 0.056 0.000 1.195 638 S CA -0.266 57.970 58.200 0.061 0.000 1.050 638 S CB 0.896 64.162 63.200 0.110 0.000 1.012 638 S HN 0.031 nan 8.310 nan 0.000 0.511 639 A N 3.586 126.452 122.820 0.077 0.000 2.275 639 A HA 0.306 4.498 4.320 -0.213 0.000 0.212 639 A C 0.405 178.043 177.584 0.089 0.000 1.201 639 A CA -0.177 51.898 52.037 0.064 0.000 0.843 639 A CB -0.358 18.671 19.000 0.049 0.000 0.873 639 A HN 0.746 nan 8.150 nan 0.000 0.492 640 F N 1.623 121.545 119.950 -0.048 0.000 2.661 640 F HA 0.441 4.840 4.527 -0.213 0.000 0.356 640 F C -0.522 175.253 175.800 -0.041 0.000 1.244 640 F CA -0.412 57.532 58.000 -0.094 0.000 1.290 640 F CB 0.110 39.023 39.000 -0.145 0.000 1.677 640 F HN -0.097 nan 8.300 nan 0.000 0.649 641 V N 2.922 122.735 119.914 -0.168 0.000 2.655 641 V HA 0.874 4.866 4.120 -0.213 0.000 0.301 641 V C -0.059 175.986 176.094 -0.081 0.000 1.082 641 V CA -0.396 61.852 62.300 -0.086 0.000 0.899 641 V CB 1.217 33.048 31.823 0.013 0.000 1.014 641 V HN 0.717 nan 8.190 nan 0.000 0.429 642 G N 2.603 111.366 108.800 -0.061 0.000 2.316 642 G HA2 0.540 4.373 3.960 -0.213 0.000 0.296 642 G HA3 0.540 4.373 3.960 -0.213 0.000 0.296 642 G C -1.215 173.697 174.900 0.020 0.000 1.399 642 G CA -0.390 44.742 45.100 0.054 0.000 0.833 642 G HN 0.519 nan 8.290 nan 0.000 0.565 643 T N 0.349 114.887 114.554 -0.027 0.000 2.848 643 T HA 0.632 4.854 4.350 -0.213 0.000 0.285 643 T C -0.318 174.251 174.700 -0.218 0.000 0.995 643 T CA -0.333 61.705 62.100 -0.103 0.000 0.970 643 T CB 1.597 70.392 68.868 -0.121 0.000 0.976 643 T HN 0.745 nan 8.240 nan 0.000 0.441 644 S N 2.729 118.358 115.700 -0.118 0.000 2.420 644 S HA 0.398 4.740 4.470 -0.213 0.000 0.313 644 S C -0.271 174.282 174.600 -0.078 0.000 1.079 644 S CA -0.794 57.332 58.200 -0.124 0.000 1.104 644 S CB 0.111 63.280 63.200 -0.052 0.000 0.969 644 S HN 0.618 nan 8.310 nan 0.000 0.471 645 K N 4.835 125.171 120.400 -0.107 0.000 2.211 645 K HA 0.308 4.500 4.320 -0.213 0.000 0.275 645 K C 0.578 177.164 176.600 -0.025 0.000 1.024 645 K CA -0.670 55.580 56.287 -0.061 0.000 0.887 645 K CB 0.991 33.435 32.500 -0.094 0.000 1.084 645 K HN 0.596 nan 8.250 nan 0.000 0.463 646 L N 3.830 125.060 121.223 0.012 0.000 2.130 646 L HA 0.118 4.330 4.340 -0.213 0.000 0.200 646 L C -0.070 176.809 176.870 0.015 0.000 1.075 646 L CA 1.762 56.618 54.840 0.027 0.000 0.768 646 L CB -0.033 42.063 42.059 0.061 0.000 0.933 646 L HN 0.970 nan 8.230 nan 0.000 0.451 647 D N -3.995 116.414 120.400 0.015 0.000 3.057 647 D HA 0.150 4.662 4.640 -0.213 0.000 0.328 647 D C 0.118 176.423 176.300 0.008 0.000 1.317 647 D CA -0.352 53.655 54.000 0.011 0.000 0.973 647 D CB -0.346 40.464 40.800 0.016 0.000 1.424 647 D HN -0.192 nan 8.370 nan 0.000 0.569 648 D N -0.993 119.414 120.400 0.012 0.000 2.378 648 D HA 0.143 4.655 4.640 -0.213 0.000 0.222 648 D C 1.021 177.315 176.300 -0.010 0.000 0.980 648 D CA 1.159 55.171 54.000 0.019 0.000 0.907 648 D CB 0.243 41.061 40.800 0.031 0.000 0.899 648 D HN 0.459 nan 8.370 nan 0.000 0.527 649 A N -0.421 122.391 122.820 -0.014 0.000 2.312 649 A HA 0.129 4.321 4.320 -0.213 0.000 0.215 649 A C 0.519 178.100 177.584 -0.004 0.000 1.256 649 A CA -0.188 51.831 52.037 -0.031 0.000 0.966 649 A CB 0.716 19.695 19.000 -0.035 0.000 1.053 649 A HN -0.031 nan 8.150 nan 0.000 0.510 650 N N -0.005 118.704 118.700 0.016 0.000 2.295 650 N HA 0.664 5.277 4.740 -0.213 0.000 0.293 650 N C -0.961 174.576 175.510 0.046 0.000 1.040 650 N CA 0.345 53.421 53.050 0.043 0.000 0.840 650 N CB 2.200 40.725 38.487 0.064 0.000 1.468 650 N HN 0.378 nan 8.380 nan 0.000 0.478 651 A N 0.878 123.731 122.820 0.054 0.000 2.601 651 A HA 0.789 4.982 4.320 -0.213 0.000 0.291 651 A C -1.167 176.440 177.584 0.038 0.000 1.075 651 A CA -0.523 51.535 52.037 0.036 0.000 0.671 651 A CB 1.564 20.565 19.000 0.002 0.000 1.277 651 A HN 0.378 nan 8.150 nan 0.000 0.417 652 T N 0.401 114.958 114.554 0.004 0.000 2.893 652 T HA 0.798 5.021 4.350 -0.213 0.000 0.293 652 T C -0.343 174.310 174.700 -0.079 0.000 1.027 652 T CA 0.241 62.292 62.100 -0.082 0.000 0.988 652 T CB 1.702 70.553 68.868 -0.029 0.000 1.043 652 T HN 1.818 nan 8.240 nan 0.000 0.461 653 A N 1.590 124.362 122.820 -0.081 0.000 2.515 653 A HA 0.954 5.146 4.320 -0.213 0.000 0.296 653 A C -0.411 177.262 177.584 0.148 0.000 1.094 653 A CA -0.787 51.284 52.037 0.057 0.000 0.718 653 A CB 2.260 21.339 19.000 0.132 0.000 1.307 653 A HN 0.740 nan 8.150 nan 0.000 0.408 654 T N 0.480 115.121 114.554 0.144 0.000 2.864 654 T HA 0.700 4.923 4.350 -0.213 0.000 0.299 654 T C -1.414 173.450 174.700 0.274 0.000 1.166 654 T CA -0.404 61.809 62.100 0.189 0.000 1.007 654 T CB 1.193 70.059 68.868 -0.002 0.000 1.219 654 T HN 0.936 nan 8.240 nan 0.000 0.506 655 M N 3.373 123.202 119.600 0.382 0.000 2.206 655 M HA 0.358 4.710 4.480 -0.213 0.000 0.272 655 M C -1.736 174.835 176.300 0.451 0.000 1.012 655 M CA -0.619 54.913 55.300 0.387 0.000 0.986 655 M CB 1.675 34.591 32.600 0.526 0.000 1.740 655 M HN 0.583 nan 8.290 nan 0.000 0.472 656 D N 4.682 125.345 120.400 0.438 0.000 2.508 656 D HA 0.137 4.650 4.640 -0.213 0.000 0.224 656 D C -1.297 175.235 176.300 0.387 0.000 1.171 656 D CA 0.175 54.478 54.000 0.506 0.000 1.006 656 D CB -0.155 40.945 40.800 0.500 0.000 1.073 656 D HN 0.402 nan 8.370 nan 0.000 0.513 657 F N 2.611 122.721 119.950 0.267 0.000 2.427 657 F HA 0.389 4.789 4.527 -0.213 0.000 0.352 657 F C -0.164 175.740 175.800 0.173 0.000 1.100 657 F CA -0.160 57.964 58.000 0.207 0.000 1.191 657 F CB 0.984 40.133 39.000 0.248 0.000 1.128 657 F HN 0.002 nan 8.300 nan 0.000 0.533 658 T N 6.411 120.537 114.554 -0.714 0.000 2.893 658 T HA 0.267 4.489 4.350 -0.213 0.000 0.293 658 T C -0.424 173.665 174.700 -1.018 0.000 1.027 658 T CA -0.974 60.721 62.100 -0.674 0.000 0.988 658 T CB 1.229 69.948 68.868 -0.248 0.000 1.043 658 T HN 0.703 nan 8.240 nan 0.000 0.461 659 N N 1.704 120.010 118.700 -0.658 0.000 2.364 659 N HA 0.089 4.701 4.740 -0.213 0.000 0.264 659 N C 1.593 177.125 175.510 0.038 0.000 1.263 659 N CA -0.953 51.992 53.050 -0.175 0.000 0.959 659 N CB 0.431 39.018 38.487 0.167 0.000 1.204 659 N HN 0.876 nan 8.380 nan 0.000 0.550 660 W N 0.272 121.686 121.300 0.190 0.000 2.392 660 W HA -0.090 4.442 4.660 -0.212 0.000 0.279 660 W C 0.165 176.758 176.519 0.123 0.000 1.225 660 W CA 1.136 58.602 57.345 0.202 0.000 1.233 660 W CB -1.199 28.410 29.460 0.248 0.000 1.122 660 W HN 0.618 nan 8.180 nan 0.000 0.561 661 N N 0.607 118.754 118.700 -0.922 0.000 2.234 661 N HA 0.012 4.624 4.740 -0.213 0.000 0.227 661 N C 0.074 175.319 175.510 -0.441 0.000 1.151 661 N CA 0.103 52.625 53.050 -0.879 0.000 0.865 661 N CB -0.582 36.939 38.487 -1.610 0.000 1.066 661 N HN 0.052 nan 8.380 nan 0.000 0.515 662 Q N -0.633 118.995 119.800 -0.288 0.000 2.453 662 Q HA -0.163 4.049 4.340 -0.213 0.000 0.294 662 Q C 0.243 176.145 176.000 -0.165 0.000 1.295 662 Q CA 1.456 57.151 55.803 -0.179 0.000 0.853 662 Q CB -2.713 25.953 28.738 -0.120 0.000 1.193 662 Q HN 0.726 nan 8.270 nan 0.000 0.461 663 T N -3.847 110.599 114.554 -0.180 0.000 2.985 663 T HA 0.461 4.684 4.350 -0.213 0.000 0.254 663 T C 0.365 175.035 174.700 -0.051 0.000 1.021 663 T CA 0.104 62.138 62.100 -0.110 0.000 0.957 663 T CB 0.588 69.388 68.868 -0.113 0.000 1.047 663 T HN 0.310 nan 8.240 nan 0.000 0.511 664 L N 2.113 123.310 121.223 -0.044 0.000 2.431 664 L HA 0.719 4.931 4.340 -0.213 0.000 0.266 664 L C -1.015 175.853 176.870 -0.003 0.000 0.978 664 L CA -0.374 54.481 54.840 0.024 0.000 0.822 664 L CB 2.346 44.481 42.059 0.127 0.000 1.310 664 L HN 0.326 nan 8.230 nan 0.000 0.409 665 T N 1.468 116.043 114.554 0.035 0.000 2.916 665 T HA 0.978 5.201 4.350 -0.213 0.000 0.292 665 T C -0.730 174.055 174.700 0.143 0.000 1.064 665 T CA -0.336 61.798 62.100 0.057 0.000 1.011 665 T CB 2.068 70.931 68.868 -0.008 0.000 1.152 665 T HN 1.046 nan 8.240 nan 0.000 0.510 666 A N 1.163 124.129 122.820 0.243 0.000 2.577 666 A HA 0.588 4.780 4.320 -0.213 0.000 0.297 666 A C -1.477 176.259 177.584 0.253 0.000 1.060 666 A CA -0.910 51.217 52.037 0.151 0.000 0.697 666 A CB 0.854 19.986 19.000 0.219 0.000 1.281 666 A HN 0.925 nan 8.150 nan 0.000 0.402 667 H N 1.940 120.989 119.070 -0.035 0.000 2.911 667 H HA 0.341 4.769 4.556 -0.213 0.000 0.273 667 H C -0.302 174.995 175.328 -0.051 0.000 1.157 667 H CA 0.282 56.288 56.048 -0.070 0.000 1.402 667 H CB 0.310 29.817 29.762 -0.425 0.000 1.463 667 H HN 0.458 nan 8.280 nan 0.000 0.475 668 K N 2.101 122.577 120.400 0.127 0.000 2.185 668 K HA 0.564 4.756 4.320 -0.213 0.000 0.269 668 K C -0.270 176.055 176.600 -0.457 0.000 0.987 668 K CA -0.530 55.641 56.287 -0.194 0.000 0.865 668 K CB 1.664 34.080 32.500 -0.141 0.000 1.090 668 K HN 0.366 nan 8.250 nan 0.000 0.450 669 S N 1.484 116.779 115.700 -0.674 0.000 2.569 669 S HA 0.543 4.886 4.470 -0.213 0.000 0.280 669 S C -1.461 172.669 174.600 -0.783 0.000 1.111 669 S CA -0.935 56.942 58.200 -0.539 0.000 0.887 669 S CB 1.251 64.390 63.200 -0.103 0.000 1.095 669 S HN 0.452 nan 8.310 nan 0.000 0.476 670 W N 1.557 122.635 121.300 -0.370 0.000 2.883 670 W HA 0.490 5.023 4.660 -0.212 0.000 0.335 670 W C -1.976 174.172 176.519 -0.619 0.000 1.083 670 W CA -0.712 56.416 57.345 -0.361 0.000 1.233 670 W CB 1.331 30.633 29.460 -0.263 0.000 1.412 670 W HN 0.524 nan 8.180 nan 0.000 0.490 671 F N 2.569 122.569 119.950 0.083 0.000 2.434 671 F HA 0.387 4.787 4.527 -0.213 0.000 0.367 671 F C 0.244 176.052 175.800 0.013 0.000 1.093 671 F CA -0.737 57.306 58.000 0.072 0.000 1.085 671 F CB 0.858 39.902 39.000 0.073 0.000 1.322 671 F HN -0.056 nan 8.300 nan 0.000 0.452 672 M N 4.753 124.404 119.600 0.085 0.000 2.108 672 M HA 0.316 4.668 4.480 -0.213 0.000 0.347 672 M C -0.387 175.950 176.300 0.061 0.000 1.326 672 M CA 0.235 55.539 55.300 0.006 0.000 1.126 672 M CB 0.525 33.117 32.600 -0.014 0.000 1.606 672 M HN 0.488 nan 8.290 nan 0.000 0.462 673 L N 4.353 125.612 121.223 0.060 0.000 2.732 673 L HA 0.291 4.503 4.340 -0.213 0.000 0.246 673 L C 0.741 177.637 176.870 0.043 0.000 1.407 673 L CA -0.152 54.726 54.840 0.063 0.000 0.861 673 L CB 0.012 42.116 42.059 0.075 0.000 1.161 673 L HN 0.876 nan 8.230 nan 0.000 0.510 674 K N 1.160 121.578 120.400 0.031 0.000 10.062 674 K HA -0.294 3.898 4.320 -0.213 0.000 0.515 674 K C 0.582 177.222 176.600 0.067 0.000 0.373 674 K CA 2.384 58.677 56.287 0.009 0.000 1.953 674 K CB -0.853 31.644 32.500 -0.005 0.000 0.729 674 K HN 0.645 nan 8.250 nan 0.000 1.124 675 D N 0.884 121.364 120.400 0.134 0.000 2.535 675 D HA 0.204 4.716 4.640 -0.213 0.000 0.229 675 D C -0.301 176.126 176.300 0.212 0.000 1.238 675 D CA 0.130 54.299 54.000 0.281 0.000 0.824 675 D CB 0.300 41.196 40.800 0.160 0.000 1.045 675 D HN 0.576 nan 8.370 nan 0.000 0.500 676 K N -0.817 119.669 120.400 0.143 0.000 2.685 676 K HA 0.541 4.734 4.320 -0.213 0.000 0.290 676 K C -1.931 174.663 176.600 -0.010 0.000 1.018 676 K CA -0.922 55.373 56.287 0.014 0.000 0.860 676 K CB 0.701 33.224 32.500 0.037 0.000 1.498 676 K HN -0.097 nan 8.250 nan 0.000 0.390 677 I N 1.070 121.615 120.570 -0.042 0.000 2.512 677 I HA 0.429 4.471 4.170 -0.213 0.000 0.287 677 I C -0.704 175.484 176.117 0.118 0.000 1.069 677 I CA -0.444 60.798 61.300 -0.098 0.000 1.056 677 I CB 2.025 39.707 38.000 -0.531 0.000 1.229 677 I HN 0.849 nan 8.210 nan 0.000 0.429 678 A N 5.722 128.662 122.820 0.200 0.000 2.310 678 A HA 0.820 5.012 4.320 -0.213 0.000 0.299 678 A C -1.118 176.612 177.584 0.244 0.000 1.147 678 A CA -0.138 52.099 52.037 0.334 0.000 0.818 678 A CB 0.216 19.434 19.000 0.363 0.000 1.096 678 A HN 0.466 nan 8.150 nan 0.000 0.495 679 F N 1.821 121.738 119.950 -0.055 0.000 2.427 679 F HA 0.510 4.910 4.527 -0.213 0.000 0.348 679 F C -0.137 175.624 175.800 -0.066 0.000 1.125 679 F CA -0.314 57.575 58.000 -0.185 0.000 0.989 679 F CB 1.506 40.151 39.000 -0.592 0.000 1.165 679 F HN 0.318 nan 8.300 nan 0.000 0.442 680 L N 3.003 124.281 121.223 0.092 0.000 2.346 680 L HA 0.882 5.094 4.340 -0.213 0.000 0.276 680 L C 0.164 176.712 176.870 -0.537 0.000 1.006 680 L CA -0.839 53.935 54.840 -0.111 0.000 0.817 680 L CB 2.135 44.195 42.059 0.001 0.000 1.272 680 L HN 0.721 nan 8.230 nan 0.000 0.421 681 G N 0.769 108.828 108.800 -1.235 0.000 2.617 681 G HA2 0.665 4.498 3.960 -0.213 0.000 0.306 681 G HA3 0.665 4.498 3.960 -0.213 0.000 0.306 681 G C -0.984 173.565 174.900 -0.584 0.000 1.360 681 G CA -0.289 44.157 45.100 -1.090 0.000 0.983 681 G HN 0.608 nan 8.290 nan 0.000 0.496 682 S N 0.522 116.035 115.700 -0.313 0.000 2.697 682 S HA 0.587 4.929 4.470 -0.213 0.000 0.289 682 S C 0.334 174.768 174.600 -0.277 0.000 1.149 682 S CA -0.393 57.666 58.200 -0.234 0.000 0.850 682 S CB 1.625 64.730 63.200 -0.159 0.000 1.151 682 S HN 1.150 nan 8.310 nan 0.000 0.491 683 N N -0.269 118.269 118.700 -0.269 0.000 2.754 683 N HA -0.141 4.472 4.740 -0.213 0.000 0.248 683 N C -1.018 174.343 175.510 -0.249 0.000 1.093 683 N CA 0.362 53.212 53.050 -0.333 0.000 0.699 683 N CB -1.075 36.995 38.487 -0.695 0.000 1.016 683 N HN 0.703 nan 8.380 nan 0.000 0.552 684 I N 1.806 122.269 120.570 -0.178 0.000 2.379 684 I HA 0.075 4.117 4.170 -0.213 0.000 0.290 684 I C 0.424 176.495 176.117 -0.076 0.000 1.063 684 I CA 0.425 61.646 61.300 -0.132 0.000 1.351 684 I CB 0.992 38.853 38.000 -0.232 0.000 1.410 684 I HN 0.123 nan 8.210 nan 0.000 0.505 685 Q N 5.190 124.965 119.800 -0.042 0.000 2.389 685 Q HA 0.484 4.696 4.340 -0.213 0.000 0.277 685 Q C -0.996 175.006 176.000 0.005 0.000 1.082 685 Q CA -1.043 54.745 55.803 -0.024 0.000 0.810 685 Q CB 2.877 31.587 28.738 -0.047 0.000 1.374 685 Q HN 0.471 nan 8.270 nan 0.000 0.422 686 N N 0.069 118.776 118.700 0.010 0.000 2.500 686 N HA 0.190 4.803 4.740 -0.213 0.000 0.291 686 N C -0.626 174.887 175.510 0.005 0.000 1.092 686 N CA -0.257 52.806 53.050 0.021 0.000 0.890 686 N CB 1.722 40.238 38.487 0.048 0.000 1.466 686 N HN 0.662 nan 8.380 nan 0.000 0.507 687 T N -1.021 113.528 114.554 -0.008 0.000 3.069 687 T HA 0.184 4.406 4.350 -0.213 0.000 0.252 687 T C 0.861 175.553 174.700 -0.014 0.000 1.053 687 T CA 0.021 62.112 62.100 -0.015 0.000 0.964 687 T CB -0.257 68.594 68.868 -0.028 0.000 1.005 687 T HN 0.406 nan 8.240 nan 0.000 0.532 688 S N 1.545 117.240 115.700 -0.007 0.000 2.713 688 S HA 0.389 4.731 4.470 -0.213 0.000 0.277 688 S C 1.139 175.745 174.600 0.011 0.000 1.168 688 S CA 0.019 58.218 58.200 -0.002 0.000 0.994 688 S CB 1.042 64.244 63.200 0.003 0.000 1.054 688 S HN 0.367 nan 8.310 nan 0.000 0.555 689 T N -2.025 112.537 114.554 0.013 0.000 3.163 689 T HA 0.239 4.462 4.350 -0.213 0.000 0.252 689 T C -0.195 174.519 174.700 0.023 0.000 1.056 689 T CA -0.440 61.669 62.100 0.016 0.000 0.947 689 T CB -0.585 68.290 68.868 0.011 0.000 1.016 689 T HN 0.545 nan 8.240 nan 0.000 0.554 690 D N 3.196 123.617 120.400 0.035 0.000 2.329 690 D HA 0.272 4.784 4.640 -0.213 0.000 0.246 690 D C 0.484 176.811 176.300 0.046 0.000 1.111 690 D CA -0.020 54.007 54.000 0.044 0.000 0.941 690 D CB 1.531 42.374 40.800 0.072 0.000 1.169 690 D HN 0.401 nan 8.370 nan 0.000 0.441 691 T N -2.082 112.496 114.554 0.041 0.000 2.913 691 T HA 0.599 4.821 4.350 -0.213 0.000 0.287 691 T C -0.115 174.628 174.700 0.071 0.000 1.008 691 T CA -0.939 61.188 62.100 0.045 0.000 1.067 691 T CB 1.497 70.378 68.868 0.022 0.000 0.996 691 T HN 0.395 nan 8.240 nan 0.000 0.513 692 A N 1.108 123.986 122.820 0.097 0.000 2.340 692 A HA 0.943 5.136 4.320 -0.213 0.000 0.331 692 A C -0.125 177.555 177.584 0.159 0.000 1.140 692 A CA -0.673 51.458 52.037 0.156 0.000 0.801 692 A CB 1.029 20.150 19.000 0.201 0.000 1.234 692 A HN 1.664 nan 8.150 nan 0.000 0.469 693 A N 0.627 123.560 122.820 0.188 0.000 2.612 693 A HA 0.772 4.965 4.320 -0.213 0.000 0.293 693 A C -0.513 177.178 177.584 0.178 0.000 1.075 693 A CA -0.424 51.652 52.037 0.065 0.000 0.680 693 A CB 0.947 19.919 19.000 -0.048 0.000 1.279 693 A HN 0.856 nan 8.150 nan 0.000 0.411 694 T N 1.848 116.469 114.554 0.113 0.000 2.771 694 T HA 0.527 4.750 4.350 -0.213 0.000 0.281 694 T C -0.123 174.570 174.700 -0.012 0.000 0.982 694 T CA 0.051 62.221 62.100 0.117 0.000 0.978 694 T CB 0.987 69.934 68.868 0.133 0.000 0.930 694 T HN 0.585 nan 8.240 nan 0.000 0.447 695 T N 4.511 119.070 114.554 0.009 0.000 2.727 695 T HA 0.235 4.457 4.350 -0.213 0.000 0.295 695 T C 1.679 176.371 174.700 -0.013 0.000 0.915 695 T CA -0.266 61.827 62.100 -0.012 0.000 1.066 695 T CB 0.102 68.982 68.868 0.020 0.000 0.891 695 T HN 0.449 nan 8.240 nan 0.000 0.516 696 I N 1.607 122.099 120.570 -0.129 0.000 2.286 696 I HA 0.014 4.056 4.170 -0.213 0.000 0.245 696 I C 1.031 177.113 176.117 -0.060 0.000 1.104 696 I CA 1.141 62.291 61.300 -0.249 0.000 1.397 696 I CB 0.276 37.939 38.000 -0.562 0.000 1.072 696 I HN 0.521 nan 8.210 nan 0.000 0.417 697 D N -0.954 119.401 120.400 -0.074 0.000 2.623 697 D HA 0.235 4.748 4.640 -0.213 0.000 0.241 697 D C -1.402 174.898 176.300 0.000 0.000 1.241 697 D CA -0.424 53.603 54.000 0.046 0.000 0.788 697 D CB 1.714 42.560 40.800 0.077 0.000 1.413 697 D HN -0.085 nan 8.370 nan 0.000 0.429 698 Q N 2.340 122.166 119.800 0.043 0.000 2.786 698 Q HA 0.373 4.586 4.340 -0.213 0.000 0.240 698 Q C -1.452 174.699 176.000 0.251 0.000 0.928 698 Q CA -0.673 55.187 55.803 0.095 0.000 0.721 698 Q CB 1.161 29.900 28.738 0.002 0.000 1.318 698 Q HN 0.198 nan 8.270 nan 0.000 0.474 699 R N 2.307 122.952 120.500 0.242 0.000 2.338 699 R HA 0.316 4.529 4.340 -0.213 0.000 0.317 699 R C -0.965 175.435 176.300 0.168 0.000 0.968 699 R CA -0.442 55.807 56.100 0.249 0.000 0.849 699 R CB 1.063 31.404 30.300 0.069 0.000 1.128 699 R HN 0.235 nan 8.270 nan 0.000 0.448 700 K N 5.482 125.929 120.400 0.078 0.000 2.339 700 K HA 0.197 4.389 4.320 -0.213 0.000 0.286 700 K C -0.640 175.806 176.600 -0.258 0.000 1.050 700 K CA -0.117 55.780 56.287 -0.650 0.000 0.956 700 K CB 0.426 32.372 32.500 -0.923 0.000 0.990 700 K HN 0.587 nan 8.250 nan 0.000 0.475 701 L N 2.880 123.921 121.223 -0.302 0.000 2.387 701 L HA 0.387 4.599 4.340 -0.213 0.000 0.266 701 L C 0.257 177.026 176.870 -0.169 0.000 1.059 701 L CA -0.760 53.997 54.840 -0.139 0.000 0.801 701 L CB 1.045 43.056 42.059 -0.080 0.000 1.223 701 L HN 0.528 nan 8.230 nan 0.000 0.456 702 E N -0.356 119.753 120.200 -0.152 0.000 2.145 702 E HA 0.143 4.366 4.350 -0.213 0.000 0.270 702 E C 0.312 176.844 176.600 -0.114 0.000 0.906 702 E CA -0.256 56.065 56.400 -0.131 0.000 0.761 702 E CB 1.714 31.332 29.700 -0.137 0.000 1.116 702 E HN 0.677 nan 8.360 nan 0.000 0.408 703 S N 1.458 117.108 115.700 -0.082 0.000 2.419 703 S HA -0.215 4.127 4.470 -0.213 0.000 0.233 703 S C 1.939 176.503 174.600 -0.060 0.000 1.016 703 S CA 1.357 59.519 58.200 -0.063 0.000 0.974 703 S CB -0.208 62.966 63.200 -0.043 0.000 0.786 703 S HN 0.492 nan 8.310 nan 0.000 0.492 704 S N 1.563 117.227 115.700 -0.059 0.000 2.428 704 S HA 0.073 4.415 4.470 -0.213 0.000 0.230 704 S C 0.788 175.345 174.600 -0.073 0.000 1.014 704 S CA 0.201 58.370 58.200 -0.052 0.000 0.957 704 S CB -0.540 62.639 63.200 -0.036 0.000 0.784 704 S HN 0.581 nan 8.310 nan 0.000 0.499 705 N N 2.954 121.585 118.700 -0.114 0.000 2.844 705 N HA 0.310 4.922 4.740 -0.213 0.000 0.268 705 N C -3.015 172.345 175.510 -0.249 0.000 1.574 705 N CA -1.027 51.924 53.050 -0.164 0.000 0.838 705 N CB 1.582 39.956 38.487 -0.187 0.000 1.177 705 N HN 0.402 nan 8.380 nan 0.000 0.495 706 P HA 0.083 nan 4.420 nan 0.000 0.272 706 P C -0.903 176.290 177.300 -0.179 0.000 1.223 706 P CA 0.129 63.136 63.100 -0.155 0.000 0.784 706 P CB 0.797 32.459 31.700 -0.063 0.000 0.923 707 Y N 0.488 120.759 120.300 -0.048 0.000 2.310 707 Y HA 0.327 4.749 4.550 -0.213 0.000 0.326 707 Y C 1.289 177.161 175.900 -0.047 0.000 1.151 707 Y CA -0.140 57.929 58.100 -0.051 0.000 1.195 707 Y CB 1.160 39.574 38.460 -0.076 0.000 1.210 707 Y HN 0.272 nan 8.280 nan 0.000 0.483 708 K N 2.359 122.861 120.400 0.170 0.000 2.211 708 K HA 0.591 4.783 4.320 -0.213 0.000 0.275 708 K C -1.557 175.038 176.600 -0.008 0.000 1.024 708 K CA -0.446 55.858 56.287 0.029 0.000 0.887 708 K CB 0.657 33.184 32.500 0.044 0.000 1.084 708 K HN 0.486 nan 8.250 nan 0.000 0.463 709 V N 5.549 125.367 119.914 -0.159 0.000 2.427 709 V HA 0.336 4.328 4.120 -0.213 0.000 0.286 709 V C -1.033 174.903 176.094 -0.263 0.000 1.034 709 V CA -0.672 61.552 62.300 -0.127 0.000 0.893 709 V CB 0.660 32.410 31.823 -0.121 0.000 0.982 709 V HN 0.631 nan 8.190 nan 0.000 0.452 710 Y N 2.755 123.072 120.300 0.028 0.000 2.409 710 Y HA 0.695 5.117 4.550 -0.213 0.000 0.343 710 Y C -0.093 175.818 175.900 0.018 0.000 0.973 710 Y CA -0.997 57.136 58.100 0.056 0.000 1.064 710 Y CB 2.156 40.701 38.460 0.141 0.000 1.207 710 Y HN 0.340 nan 8.280 nan 0.000 0.452 711 V N 3.338 123.327 119.914 0.125 0.000 2.487 711 V HA 0.264 4.256 4.120 -0.213 0.000 0.298 711 V C -0.409 175.766 176.094 0.135 0.000 1.028 711 V CA -1.373 60.957 62.300 0.050 0.000 0.860 711 V CB 1.406 33.129 31.823 -0.168 0.000 0.991 711 V HN 0.931 nan 8.190 nan 0.000 0.427 712 N N 3.281 122.081 118.700 0.166 0.000 2.710 712 N HA -0.225 4.387 4.740 -0.213 0.000 0.249 712 N C 0.490 176.092 175.510 0.154 0.000 1.059 712 N CA 1.438 54.584 53.050 0.160 0.000 0.720 712 N CB -1.034 37.526 38.487 0.121 0.000 0.983 712 N HN 1.077 nan 8.380 nan 0.000 0.544 713 D N -2.102 118.417 120.400 0.198 0.000 3.076 713 D HA -0.191 4.322 4.640 -0.213 0.000 0.218 713 D C -0.825 175.633 176.300 0.262 0.000 1.156 713 D CA 1.455 55.555 54.000 0.168 0.000 0.921 713 D CB -0.607 40.225 40.800 0.053 0.000 1.113 713 D HN 0.633 nan 8.370 nan 0.000 0.418 714 K N 0.701 121.267 120.400 0.276 0.000 2.292 714 K HA 0.340 4.532 4.320 -0.213 0.000 0.257 714 K C -0.167 176.528 176.600 0.159 0.000 0.940 714 K CA -0.794 55.627 56.287 0.222 0.000 0.811 714 K CB 1.790 34.368 32.500 0.131 0.000 1.120 714 K HN 0.138 nan 8.250 nan 0.000 0.428 715 E N 1.814 122.031 120.200 0.028 0.000 2.452 715 E HA 0.097 4.320 4.350 -0.213 0.000 0.261 715 E C -1.030 175.506 176.600 -0.107 0.000 0.987 715 E CA -0.160 56.090 56.400 -0.249 0.000 0.926 715 E CB 0.626 30.159 29.700 -0.278 0.000 0.934 715 E HN 0.603 nan 8.360 nan 0.000 0.452 716 A N 3.351 126.090 122.820 -0.136 0.000 2.355 716 A HA 0.504 4.696 4.320 -0.213 0.000 0.324 716 A C -0.886 176.671 177.584 -0.044 0.000 1.117 716 A CA -0.752 51.262 52.037 -0.038 0.000 0.785 716 A CB 1.839 20.802 19.000 -0.061 0.000 1.254 716 A HN 0.531 nan 8.150 nan 0.000 0.453 717 S N 1.879 117.588 115.700 0.015 0.000 2.461 717 S HA 0.477 4.819 4.470 -0.213 0.000 0.322 717 S C -0.224 174.398 174.600 0.037 0.000 1.063 717 S CA -0.396 57.808 58.200 0.007 0.000 1.120 717 S CB 0.129 63.333 63.200 0.006 0.000 0.968 717 S HN 0.536 nan 8.310 nan 0.000 0.467 718 L N 3.286 124.522 121.223 0.020 0.000 2.418 718 L HA 0.555 4.767 4.340 -0.213 0.000 0.265 718 L C 0.926 177.809 176.870 0.022 0.000 1.143 718 L CA -0.347 54.514 54.840 0.034 0.000 0.809 718 L CB 0.904 42.971 42.059 0.013 0.000 1.124 718 L HN 0.644 nan 8.230 nan 0.000 0.456 719 T N -3.394 111.174 114.554 0.024 0.000 2.864 719 T HA 0.251 4.473 4.350 -0.213 0.000 0.289 719 T C 0.586 175.292 174.700 0.010 0.000 1.082 719 T CA -0.852 61.255 62.100 0.012 0.000 1.009 719 T CB 1.895 70.766 68.868 0.005 0.000 1.234 719 T HN 0.545 nan 8.240 nan 0.000 0.526 720 E N 0.043 120.246 120.200 0.005 0.000 2.085 720 E HA -0.140 4.082 4.350 -0.213 0.000 0.194 720 E C 0.841 177.439 176.600 -0.004 0.000 0.994 720 E CA 1.044 57.446 56.400 0.003 0.000 0.801 720 E CB 0.080 29.780 29.700 -0.000 0.000 0.743 720 E HN 0.593 nan 8.360 nan 0.000 0.453 721 Q N 1.217 121.012 119.800 -0.008 0.000 2.332 721 Q HA 0.008 4.220 4.340 -0.213 0.000 0.263 721 Q C -0.681 175.311 176.000 -0.014 0.000 0.979 721 Q CA 0.029 55.823 55.803 -0.015 0.000 0.885 721 Q CB 0.721 29.447 28.738 -0.020 0.000 1.218 721 Q HN 0.016 nan 8.270 nan 0.000 0.405 722 E N 2.745 122.932 120.200 -0.021 0.000 2.415 722 E HA -0.012 4.211 4.350 -0.213 0.000 0.263 722 E C -0.944 175.634 176.600 -0.037 0.000 0.995 722 E CA 0.564 56.952 56.400 -0.020 0.000 0.915 722 E CB 0.638 30.319 29.700 -0.031 0.000 0.951 722 E HN 0.297 nan 8.360 nan 0.000 0.449 723 K N 2.866 123.251 120.400 -0.025 0.000 2.270 723 K HA 0.256 4.449 4.320 -0.213 0.000 0.255 723 K C -1.175 175.303 176.600 -0.203 0.000 0.936 723 K CA -0.868 55.341 56.287 -0.130 0.000 0.809 723 K CB 1.343 33.764 32.500 -0.132 0.000 1.131 723 K HN 0.358 nan 8.250 nan 0.000 0.427 724 D N 1.576 121.784 120.400 -0.319 0.000 2.210 724 D HA 0.167 4.679 4.640 -0.213 0.000 0.249 724 D C -0.806 175.166 176.300 -0.547 0.000 1.062 724 D CA 0.092 53.926 54.000 -0.276 0.000 0.891 724 D CB 0.710 41.403 40.800 -0.179 0.000 1.186 724 D HN 0.351 nan 8.370 nan 0.000 0.432 725 Y N 1.624 121.865 120.300 -0.098 0.000 2.749 725 Y HA 0.241 4.664 4.550 -0.213 0.000 0.343 725 Y C -2.048 173.781 175.900 -0.118 0.000 1.015 725 Y CA -1.971 56.071 58.100 -0.097 0.000 1.270 725 Y CB 1.508 39.905 38.460 -0.105 0.000 1.097 725 Y HN 0.118 nan 8.280 nan 0.000 0.571 726 P HA 0.049 nan 4.420 nan 0.000 0.274 726 P C -0.198 177.089 177.300 -0.021 0.000 1.231 726 P CA 0.077 63.153 63.100 -0.040 0.000 0.790 726 P CB 1.020 32.691 31.700 -0.048 0.000 0.951 727 E N -1.823 118.354 120.200 -0.039 0.000 2.389 727 E HA -0.126 4.097 4.350 -0.213 0.000 0.243 727 E C -0.612 175.974 176.600 -0.023 0.000 1.154 727 E CA 0.846 57.231 56.400 -0.023 0.000 0.723 727 E CB -2.622 27.080 29.700 0.002 0.000 1.261 727 E HN 0.465 nan 8.360 nan 0.000 0.390 728 T N 0.730 115.225 114.554 -0.099 0.000 2.780 728 T HA 0.238 4.461 4.350 -0.213 0.000 0.294 728 T C 1.268 175.925 174.700 -0.073 0.000 0.949 728 T CA -0.076 61.954 62.100 -0.117 0.000 1.074 728 T CB 1.591 70.278 68.868 -0.301 0.000 0.910 728 T HN 0.199 nan 8.240 nan 0.000 0.501 729 Q N 2.542 122.407 119.800 0.108 0.000 2.373 729 Q HA 0.173 4.385 4.340 -0.213 0.000 0.210 729 Q C 0.479 176.756 176.000 0.462 0.000 0.913 729 Q CA 0.191 56.138 55.803 0.239 0.000 0.911 729 Q CB 0.576 29.448 28.738 0.222 0.000 1.040 729 Q HN 0.758 nan 8.270 nan 0.000 0.521 730 S N -1.937 114.029 115.700 0.444 0.000 2.550 730 S HA 0.711 5.053 4.470 -0.213 0.000 0.270 730 S C -1.237 173.632 174.600 0.450 0.000 1.145 730 S CA -0.938 57.601 58.200 0.565 0.000 0.852 730 S CB 1.775 65.319 63.200 0.573 0.000 1.119 730 S HN -0.082 nan 8.310 nan 0.000 0.465 731 V N 2.330 122.529 119.914 0.475 0.000 2.656 731 V HA 0.748 4.741 4.120 -0.213 0.000 0.307 731 V C -1.435 174.819 176.094 0.266 0.000 1.051 731 V CA -0.593 61.883 62.300 0.294 0.000 0.893 731 V CB 1.654 33.570 31.823 0.154 0.000 0.999 731 V HN 0.913 nan 8.190 nan 0.000 0.426 732 F N 4.999 124.949 119.950 -0.000 0.000 2.547 732 F HA 0.695 5.094 4.527 -0.213 0.000 0.316 732 F C -0.922 174.839 175.800 -0.065 0.000 1.121 732 F CA -0.754 57.110 58.000 -0.226 0.000 0.911 732 F CB 1.602 40.397 39.000 -0.343 0.000 1.179 732 F HN 0.295 nan 8.300 nan 0.000 0.443 733 L N 5.638 126.347 121.223 -0.857 0.000 2.277 733 L HA 0.435 4.647 4.340 -0.213 0.000 0.284 733 L C -0.522 175.928 176.870 -0.699 0.000 1.028 733 L CA -0.492 53.921 54.840 -0.711 0.000 0.835 733 L CB 1.476 42.907 42.059 -1.048 0.000 1.215 733 L HN 0.612 nan 8.230 nan 0.000 0.425 734 E N 2.753 122.911 120.200 -0.069 0.000 2.113 734 E HA 0.337 4.559 4.350 -0.213 0.000 0.273 734 E C -0.882 175.896 176.600 0.297 0.000 0.924 734 E CA -0.214 56.290 56.400 0.174 0.000 0.764 734 E CB 1.736 31.737 29.700 0.501 0.000 1.104 734 E HN 0.517 nan 8.360 nan 0.000 0.406 735 S N 2.087 117.907 115.700 0.199 0.000 2.722 735 S HA 0.175 4.517 4.470 -0.213 0.000 0.292 735 S C 1.209 175.834 174.600 0.043 0.000 1.135 735 S CA 0.033 58.249 58.200 0.026 0.000 1.003 735 S CB 1.342 64.497 63.200 -0.076 0.000 1.067 735 S HN 0.638 nan 8.310 nan 0.000 0.546 736 S N 0.972 116.668 115.700 -0.006 0.000 2.423 736 S HA -0.040 4.303 4.470 -0.213 0.000 0.231 736 S C 0.362 174.974 174.600 0.021 0.000 1.014 736 S CA 0.759 58.968 58.200 0.015 0.000 0.965 736 S CB -0.366 62.832 63.200 -0.004 0.000 0.785 736 S HN 0.725 nan 8.310 nan 0.000 0.495 737 D N 0.920 121.323 120.400 0.005 0.000 2.373 737 D HA 0.454 4.966 4.640 -0.213 0.000 0.227 737 D C 0.480 176.804 176.300 0.041 0.000 1.091 737 D CA -0.245 53.767 54.000 0.020 0.000 0.840 737 D CB 1.559 42.361 40.800 0.004 0.000 1.060 737 D HN 0.065 nan 8.370 nan 0.000 0.502 738 S N 2.901 118.637 115.700 0.059 0.000 2.419 738 S HA -0.116 4.226 4.470 -0.213 0.000 0.235 738 S C 1.477 176.120 174.600 0.070 0.000 1.019 738 S CA 0.744 58.990 58.200 0.078 0.000 0.982 738 S CB 0.099 63.347 63.200 0.081 0.000 0.789 738 S HN 0.429 nan 8.310 nan 0.000 0.490 739 K N 1.270 121.710 120.400 0.068 0.000 2.525 739 K HA 0.141 4.333 4.320 -0.213 0.000 0.192 739 K C 0.990 177.633 176.600 0.072 0.000 1.029 739 K CA 0.517 56.854 56.287 0.083 0.000 1.029 739 K CB -0.014 32.543 32.500 0.095 0.000 0.814 739 K HN 0.363 nan 8.250 nan 0.000 0.503 740 K N 0.052 120.482 120.400 0.051 0.000 2.402 740 K HA 0.127 4.320 4.320 -0.213 0.000 0.204 740 K C -0.150 176.504 176.600 0.090 0.000 1.056 740 K CA -0.283 56.039 56.287 0.058 0.000 1.069 740 K CB 0.511 33.013 32.500 0.004 0.000 0.888 740 K HN -0.034 nan 8.250 nan 0.000 0.546 741 N N 1.596 120.303 118.700 0.012 0.000 2.492 741 N HA 0.166 4.778 4.740 -0.213 0.000 0.260 741 N C -0.575 174.733 175.510 -0.337 0.000 1.215 741 N CA 0.427 53.383 53.050 -0.157 0.000 0.923 741 N CB 0.639 39.063 38.487 -0.105 0.000 1.092 741 N HN 0.056 nan 8.380 nan 0.000 0.448 742 I N 0.343 120.528 120.570 -0.641 0.000 2.478 742 I HA 0.425 4.467 4.170 -0.213 0.000 0.287 742 I C 0.515 176.060 176.117 -0.952 0.000 1.042 742 I CA -0.822 60.063 61.300 -0.691 0.000 1.067 742 I CB 2.142 39.790 38.000 -0.587 0.000 1.233 742 I HN 0.369 nan 8.210 nan 0.000 0.431 743 G N 4.819 113.110 108.800 -0.849 0.000 2.448 743 G HA2 0.717 4.549 3.960 -0.213 0.000 0.324 743 G HA3 0.717 4.549 3.960 -0.213 0.000 0.324 743 G C -1.746 172.771 174.900 -0.638 0.000 1.203 743 G CA -0.376 44.206 45.100 -0.862 0.000 0.954 743 G HN 0.407 nan 8.290 nan 0.000 0.480 744 Y N 0.564 120.836 120.300 -0.047 0.000 2.326 744 Y HA 0.456 4.878 4.550 -0.213 0.000 0.329 744 Y C -0.871 175.062 175.900 0.054 0.000 0.973 744 Y CA -1.229 56.808 58.100 -0.105 0.000 1.162 744 Y CB 2.089 40.322 38.460 -0.379 0.000 1.147 744 Y HN 0.489 nan 8.280 nan 0.000 0.456 745 F N 4.998 124.895 119.950 -0.088 0.000 2.388 745 F HA 0.608 5.008 4.527 -0.213 0.000 0.358 745 F C -1.485 174.033 175.800 -0.469 0.000 1.122 745 F CA -2.266 55.634 58.000 -0.166 0.000 1.056 745 F CB 0.231 39.102 39.000 -0.216 0.000 1.155 745 F HN 0.281 nan 8.300 nan 0.000 0.461 746 F N 7.628 127.274 119.950 -0.507 0.000 2.421 746 F HA 0.261 4.660 4.527 -0.213 0.000 0.358 746 F C 0.659 175.918 175.800 -0.901 0.000 1.115 746 F CA -0.384 57.296 58.000 -0.534 0.000 1.160 746 F CB 0.243 39.146 39.000 -0.162 0.000 1.123 746 F HN 0.452 nan 8.300 nan 0.000 0.508 747 F N 0.970 120.622 119.950 -0.497 0.000 2.126 747 F HA -0.126 4.274 4.527 -0.213 0.000 0.299 747 F C 1.222 176.915 175.800 -0.179 0.000 1.096 747 F CA 1.219 58.940 58.000 -0.465 0.000 1.255 747 F CB -0.428 38.453 39.000 -0.199 0.000 0.997 747 F HN 0.155 nan 8.300 nan 0.000 0.479 748 K N 0.695 121.166 120.400 0.118 0.000 2.207 748 K HA 0.293 4.485 4.320 -0.213 0.000 0.255 748 K C -0.344 176.308 176.600 0.086 0.000 0.941 748 K CA -0.937 55.409 56.287 0.099 0.000 0.825 748 K CB 1.972 34.536 32.500 0.107 0.000 1.119 748 K HN -0.099 nan 8.250 nan 0.000 0.430 749 K N 1.366 121.800 120.400 0.057 0.000 2.511 749 K HA 0.023 4.215 4.320 -0.213 0.000 0.280 749 K C -0.327 176.259 176.600 -0.024 0.000 1.008 749 K CA 0.616 56.913 56.287 0.018 0.000 1.050 749 K CB 0.317 32.829 32.500 0.020 0.000 0.889 749 K HN 0.471 nan 8.250 nan 0.000 0.484 750 S N 0.963 116.576 115.700 -0.146 0.000 2.570 750 S HA 0.294 4.636 4.470 -0.213 0.000 0.286 750 S C -0.891 173.559 174.600 -0.250 0.000 1.099 750 S CA -0.942 57.145 58.200 -0.189 0.000 0.913 750 S CB 2.058 65.100 63.200 -0.264 0.000 1.085 750 S HN 0.415 nan 8.310 nan 0.000 0.480 751 S N 2.146 117.749 115.700 -0.161 0.000 2.411 751 S HA 0.553 4.895 4.470 -0.213 0.000 0.294 751 S C 0.058 174.555 174.600 -0.171 0.000 1.115 751 S CA -0.622 57.494 58.200 -0.141 0.000 1.071 751 S CB -0.588 62.561 63.200 -0.084 0.000 0.967 751 S HN 0.582 nan 8.310 nan 0.000 0.488 752 I N 0.025 120.490 120.570 -0.175 0.000 3.170 752 I HA 0.834 4.877 4.170 -0.213 0.000 0.312 752 I C -0.385 175.706 176.117 -0.044 0.000 1.085 752 I CA -0.764 60.439 61.300 -0.162 0.000 0.999 752 I CB 2.242 40.073 38.000 -0.280 0.000 1.233 752 I HN 0.300 nan 8.210 nan 0.000 0.467 753 S N 2.564 118.239 115.700 -0.041 0.000 2.548 753 S HA 0.777 5.119 4.470 -0.213 0.000 0.286 753 S C -0.714 173.894 174.600 0.015 0.000 1.098 753 S CA -0.778 57.432 58.200 0.018 0.000 0.930 753 S CB 1.749 64.927 63.200 -0.037 0.000 1.070 753 S HN 0.581 nan 8.310 nan 0.000 0.480 754 M N 2.146 121.798 119.600 0.086 0.000 2.531 754 M HA 0.577 4.929 4.480 -0.213 0.000 0.286 754 M C -1.047 175.278 176.300 0.043 0.000 1.232 754 M CA -0.599 54.714 55.300 0.022 0.000 0.877 754 M CB 2.510 35.088 32.600 -0.036 0.000 1.726 754 M HN 0.777 nan 8.290 nan 0.000 0.463 755 S N 1.031 116.735 115.700 0.006 0.000 2.570 755 S HA 0.703 5.046 4.470 -0.213 0.000 0.270 755 S C -1.501 173.106 174.600 0.013 0.000 1.149 755 S CA -1.009 57.199 58.200 0.013 0.000 0.837 755 S CB 2.806 66.008 63.200 0.003 0.000 1.124 755 S HN 0.750 nan 8.310 nan 0.000 0.465 756 K N 0.794 121.206 120.400 0.020 0.000 2.545 756 K HA 0.744 4.936 4.320 -0.213 0.000 0.252 756 K C -1.289 175.330 176.600 0.033 0.000 0.948 756 K CA -0.564 55.742 56.287 0.030 0.000 0.827 756 K CB 1.413 33.926 32.500 0.022 0.000 1.128 756 K HN 1.068 nan 8.250 nan 0.000 0.429 757 A N 3.750 126.602 122.820 0.054 0.000 2.549 757 A HA 0.489 4.681 4.320 -0.213 0.000 0.297 757 A C -1.887 175.741 177.584 0.075 0.000 1.061 757 A CA -0.815 51.250 52.037 0.047 0.000 0.690 757 A CB 1.366 20.383 19.000 0.029 0.000 1.287 757 A HN 0.667 nan 8.150 nan 0.000 0.402 758 L N 1.209 122.461 121.223 0.048 0.000 2.360 758 L HA 0.426 4.638 4.340 -0.213 0.000 0.276 758 L C -0.018 176.884 176.870 0.054 0.000 1.121 758 L CA 0.892 55.764 54.840 0.054 0.000 0.845 758 L CB 0.533 42.607 42.059 0.024 0.000 1.143 758 L HN 0.698 nan 8.230 nan 0.000 0.452 759 Q N 5.159 125.013 119.800 0.089 0.000 2.330 759 Q HA 0.493 4.705 4.340 -0.213 0.000 0.269 759 Q C -1.079 174.928 176.000 0.012 0.000 1.022 759 Q CA -0.757 55.060 55.803 0.025 0.000 0.796 759 Q CB 2.293 31.001 28.738 -0.050 0.000 1.271 759 Q HN 0.530 nan 8.270 nan 0.000 0.450 760 K N 0.695 121.081 120.400 -0.024 0.000 2.267 760 K HA 0.879 5.071 4.320 -0.213 0.000 0.246 760 K C -0.402 176.163 176.600 -0.057 0.000 0.954 760 K CA -0.762 55.508 56.287 -0.028 0.000 0.824 760 K CB 2.089 34.581 32.500 -0.014 0.000 1.167 760 K HN 0.756 nan 8.250 nan 0.000 0.431 761 G N -0.149 108.611 108.800 -0.067 0.000 2.441 761 G HA2 0.581 4.413 3.960 -0.213 0.000 0.294 761 G HA3 0.581 4.413 3.960 -0.213 0.000 0.294 761 G C -2.008 172.840 174.900 -0.087 0.000 1.393 761 G CA -0.624 44.423 45.100 -0.087 0.000 0.796 761 G HN 0.627 nan 8.290 nan 0.000 0.494 762 A N -1.294 121.479 122.820 -0.078 0.000 2.435 762 A HA 0.659 4.851 4.320 -0.213 0.000 0.304 762 A C 0.167 177.738 177.584 -0.022 0.000 1.064 762 A CA -0.612 51.416 52.037 -0.015 0.000 0.727 762 A CB 0.910 19.935 19.000 0.042 0.000 1.284 762 A HN 0.868 nan 8.150 nan 0.000 0.415 763 W N 0.965 122.275 121.300 0.016 0.000 2.350 763 W HA -0.119 4.414 4.660 -0.211 0.000 0.289 763 W C 2.115 178.629 176.519 -0.009 0.000 1.215 763 W CA 1.794 59.147 57.345 0.014 0.000 1.236 763 W CB 0.216 29.690 29.460 0.024 0.000 1.130 763 W HN 0.809 nan 8.180 nan 0.000 0.541 764 K N 0.579 121.098 120.400 0.199 0.000 2.211 764 K HA -0.204 3.988 4.320 -0.213 0.000 0.204 764 K C 1.277 177.907 176.600 0.050 0.000 1.047 764 K CA 1.771 58.121 56.287 0.106 0.000 0.935 764 K CB -0.269 32.279 32.500 0.079 0.000 0.728 764 K HN 0.031 nan 8.250 nan 0.000 0.452 765 D N 0.715 121.128 120.400 0.022 0.000 2.182 765 D HA -0.187 4.325 4.640 -0.213 0.000 0.201 765 D C 1.713 177.976 176.300 -0.060 0.000 0.986 765 D CA 1.536 55.523 54.000 -0.022 0.000 0.847 765 D CB -0.057 40.712 40.800 -0.052 0.000 0.942 765 D HN 0.584 nan 8.370 nan 0.000 0.467 766 I N -3.862 116.673 120.570 -0.059 0.000 4.018 766 I HA 0.248 4.291 4.170 -0.213 0.000 0.337 766 I C 0.003 176.070 176.117 -0.083 0.000 1.327 766 I CA -0.251 60.978 61.300 -0.118 0.000 1.100 766 I CB 0.476 38.395 38.000 -0.136 0.000 1.025 766 I HN -0.256 nan 8.210 nan 0.000 0.396 767 N N 1.627 120.324 118.700 -0.005 0.000 2.697 767 N HA 0.070 4.682 4.740 -0.213 0.000 0.271 767 N C 0.258 175.786 175.510 0.031 0.000 1.149 767 N CA -0.104 52.951 53.050 0.008 0.000 0.939 767 N CB 1.481 40.003 38.487 0.058 0.000 1.534 767 N HN -0.023 nan 8.380 nan 0.000 0.556 768 E N 2.109 122.319 120.200 0.018 0.000 2.204 768 E HA -0.038 4.184 4.350 -0.213 0.000 0.195 768 E C 1.317 177.936 176.600 0.031 0.000 0.990 768 E CA 1.149 57.567 56.400 0.030 0.000 0.821 768 E CB 0.019 29.740 29.700 0.035 0.000 0.750 768 E HN 0.775 nan 8.360 nan 0.000 0.477 769 G N 0.361 109.176 108.800 0.025 0.000 2.744 769 G HA2 -0.103 3.729 3.960 -0.213 0.000 0.211 769 G HA3 -0.103 3.729 3.960 -0.213 0.000 0.211 769 G C 0.884 175.792 174.900 0.013 0.000 1.143 769 G CA -0.008 45.102 45.100 0.017 0.000 0.788 769 G HN 0.060 nan 8.290 nan 0.000 0.534 770 Q N 0.023 119.843 119.800 0.034 0.000 2.169 770 Q HA 0.372 4.584 4.340 -0.213 0.000 0.234 770 Q C -0.009 176.031 176.000 0.066 0.000 0.980 770 Q CA -0.475 55.353 55.803 0.041 0.000 0.941 770 Q CB 1.090 29.894 28.738 0.111 0.000 1.199 770 Q HN 0.096 nan 8.270 nan 0.000 0.496 771 S N 0.881 116.625 115.700 0.073 0.000 2.549 771 S HA -0.004 4.338 4.470 -0.213 0.000 0.279 771 S C 0.428 175.100 174.600 0.120 0.000 1.321 771 S CA -0.410 57.837 58.200 0.079 0.000 1.054 771 S CB 0.275 63.515 63.200 0.067 0.000 0.899 771 S HN 0.560 nan 8.310 nan 0.000 0.497 772 D N 3.228 123.676 120.400 0.079 0.000 2.336 772 D HA -0.005 4.507 4.640 -0.213 0.000 0.229 772 D C 0.405 176.748 176.300 0.072 0.000 1.061 772 D CA 0.051 54.094 54.000 0.072 0.000 0.875 772 D CB -0.192 40.636 40.800 0.046 0.000 0.904 772 D HN 0.479 nan 8.370 nan 0.000 0.525 773 K N 1.187 121.640 120.400 0.090 0.000 2.451 773 K HA -0.034 4.158 4.320 -0.213 0.000 0.280 773 K C 0.106 176.758 176.600 0.087 0.000 1.020 773 K CA -0.328 56.009 56.287 0.082 0.000 1.008 773 K CB 0.535 33.089 32.500 0.091 0.000 0.917 773 K HN 0.078 nan 8.250 nan 0.000 0.478 774 E N 2.904 123.138 120.200 0.057 0.000 2.376 774 E HA 0.071 4.294 4.350 -0.213 0.000 0.266 774 E C -1.080 175.550 176.600 0.051 0.000 1.009 774 E CA -0.448 55.977 56.400 0.041 0.000 0.902 774 E CB 0.764 30.479 29.700 0.026 0.000 0.972 774 E HN 0.264 nan 8.360 nan 0.000 0.439 775 V N 4.117 124.050 119.914 0.031 0.000 2.864 775 V HA 0.445 4.438 4.120 -0.213 0.000 0.314 775 V C -0.563 175.532 176.094 0.001 0.000 1.073 775 V CA -0.640 61.678 62.300 0.030 0.000 0.956 775 V CB 1.869 33.703 31.823 0.018 0.000 1.023 775 V HN 0.852 nan 8.190 nan 0.000 0.435 776 E N 2.129 122.336 120.200 0.012 0.000 2.366 776 E HA 0.605 4.827 4.350 -0.213 0.000 0.278 776 E C -1.780 174.826 176.600 0.010 0.000 0.923 776 E CA -1.033 55.374 56.400 0.012 0.000 0.761 776 E CB 2.563 32.271 29.700 0.013 0.000 1.231 776 E HN 0.527 nan 8.360 nan 0.000 0.443 777 N N 1.079 119.799 118.700 0.033 0.000 2.396 777 N HA 0.214 4.827 4.740 -0.213 0.000 0.275 777 N C -1.560 173.943 175.510 -0.012 0.000 1.218 777 N CA -0.695 52.327 53.050 -0.046 0.000 0.812 777 N CB 2.460 40.848 38.487 -0.164 0.000 1.592 777 N HN 0.652 nan 8.380 nan 0.000 0.480 778 E N 0.461 120.583 120.200 -0.130 0.000 2.283 778 E HA 0.489 4.712 4.350 -0.213 0.000 0.278 778 E C -1.344 175.120 176.600 -0.227 0.000 1.027 778 E CA -0.058 56.303 56.400 -0.065 0.000 0.843 778 E CB 0.545 30.209 29.700 -0.061 0.000 1.062 778 E HN 0.270 nan 8.360 nan 0.000 0.401 779 F N 3.181 123.103 119.950 -0.046 0.000 2.551 779 F HA 0.369 4.768 4.527 -0.213 0.000 0.316 779 F C -0.865 174.918 175.800 -0.029 0.000 1.089 779 F CA -1.155 56.820 58.000 -0.042 0.000 0.915 779 F CB 1.419 40.371 39.000 -0.081 0.000 1.186 779 F HN 0.282 nan 8.300 nan 0.000 0.456 780 L N 2.887 124.202 121.223 0.152 0.000 2.280 780 L HA 0.599 4.811 4.340 -0.213 0.000 0.287 780 L C -0.566 176.330 176.870 0.045 0.000 1.023 780 L CA -0.149 54.728 54.840 0.062 0.000 0.819 780 L CB 0.509 42.576 42.059 0.013 0.000 1.212 780 L HN 0.576 nan 8.230 nan 0.000 0.420 781 T N 6.889 121.448 114.554 0.008 0.000 2.794 781 T HA 0.661 4.883 4.350 -0.213 0.000 0.280 781 T C -0.005 174.644 174.700 -0.085 0.000 0.987 781 T CA -0.172 61.910 62.100 -0.029 0.000 0.993 781 T CB 1.058 69.910 68.868 -0.026 0.000 0.939 781 T HN 0.468 nan 8.240 nan 0.000 0.449 782 I N 3.096 123.583 120.570 -0.137 0.000 2.436 782 I HA 0.538 4.580 4.170 -0.213 0.000 0.289 782 I C 0.122 176.134 176.117 -0.175 0.000 1.010 782 I CA -0.700 60.480 61.300 -0.201 0.000 1.098 782 I CB 1.833 39.609 38.000 -0.373 0.000 1.266 782 I HN 0.681 nan 8.210 nan 0.000 0.434 783 S N 4.520 120.131 115.700 -0.148 0.000 2.627 783 S HA 0.604 4.947 4.470 -0.213 0.000 0.283 783 S C -1.037 173.468 174.600 -0.157 0.000 1.127 783 S CA -0.867 57.251 58.200 -0.137 0.000 0.863 783 S CB 2.458 65.600 63.200 -0.097 0.000 1.121 783 S HN 0.668 nan 8.310 nan 0.000 0.479 784 Q N 0.632 120.322 119.800 -0.183 0.000 2.303 784 Q HA 0.631 4.843 4.340 -0.213 0.000 0.267 784 Q C -0.816 174.921 176.000 -0.437 0.000 1.011 784 Q CA -0.784 54.874 55.803 -0.241 0.000 0.740 784 Q CB 1.676 30.318 28.738 -0.160 0.000 1.250 784 Q HN 1.052 nan 8.270 nan 0.000 0.458 785 A N 3.436 126.061 122.820 -0.325 0.000 2.386 785 A HA 0.330 4.522 4.320 -0.213 0.000 0.248 785 A C -0.821 176.530 177.584 -0.389 0.000 1.082 785 A CA -0.071 51.786 52.037 -0.301 0.000 0.789 785 A CB 0.319 19.242 19.000 -0.129 0.000 1.025 785 A HN 0.814 nan 8.150 nan 0.000 0.490 786 H N 1.979 121.081 119.070 0.052 0.000 2.675 786 H HA 0.238 4.666 4.556 -0.213 0.000 0.258 786 H C -0.047 175.307 175.328 0.042 0.000 1.271 786 H CA -0.381 55.704 56.048 0.062 0.000 1.462 786 H CB 0.993 30.810 29.762 0.093 0.000 1.467 786 H HN 0.803 nan 8.280 nan 0.000 0.501 787 K N 0.837 121.305 120.400 0.113 0.000 2.361 787 K HA 0.070 4.262 4.320 -0.213 0.000 0.196 787 K C 0.281 176.916 176.600 0.060 0.000 1.039 787 K CA 0.639 56.965 56.287 0.066 0.000 1.001 787 K CB 0.696 33.215 32.500 0.032 0.000 0.795 787 K HN 0.441 nan 8.250 nan 0.000 0.495 788 Q N 0.342 120.184 119.800 0.069 0.000 2.394 788 Q HA 0.254 4.467 4.340 -0.213 0.000 0.273 788 Q C -1.047 174.974 176.000 0.036 0.000 1.089 788 Q CA -1.065 54.764 55.803 0.042 0.000 0.812 788 Q CB 1.611 30.369 28.738 0.032 0.000 1.353 788 Q HN -0.003 nan 8.270 nan 0.000 0.438 789 N N 0.388 119.096 118.700 0.014 0.000 2.492 789 N HA 0.160 4.773 4.740 -0.213 0.000 0.260 789 N C 0.770 176.270 175.510 -0.016 0.000 1.215 789 N CA 1.360 54.407 53.050 -0.005 0.000 0.923 789 N CB 0.907 39.386 38.487 -0.013 0.000 1.092 789 N HN 0.954 nan 8.380 nan 0.000 0.448 790 G N 0.807 109.583 108.800 -0.041 0.000 2.141 790 G HA2 -0.236 3.597 3.960 -0.213 0.000 0.242 790 G HA3 -0.236 3.597 3.960 -0.213 0.000 0.242 790 G C -0.080 174.795 174.900 -0.042 0.000 0.982 790 G CA -0.098 44.970 45.100 -0.054 0.000 0.662 790 G HN 0.570 nan 8.290 nan 0.000 0.527 791 D N 0.626 121.012 120.400 -0.023 0.000 2.371 791 D HA 0.621 5.133 4.640 -0.213 0.000 0.242 791 D C 0.910 177.186 176.300 -0.039 0.000 1.218 791 D CA 1.094 55.105 54.000 0.019 0.000 0.945 791 D CB 1.260 42.126 40.800 0.110 0.000 1.137 791 D HN 0.827 nan 8.370 nan 0.000 0.464 792 S N -0.726 114.995 115.700 0.035 0.000 2.588 792 S HA 0.681 5.024 4.470 -0.213 0.000 0.269 792 S C -1.412 173.293 174.600 0.175 0.000 1.157 792 S CA -1.008 57.175 58.200 -0.028 0.000 0.824 792 S CB 1.304 64.473 63.200 -0.052 0.000 1.126 792 S HN 0.471 nan 8.310 nan 0.000 0.464 793 Y N -1.624 118.787 120.300 0.185 0.000 2.581 793 Y HA 0.950 5.372 4.550 -0.213 0.000 0.345 793 Y C -0.343 175.711 175.900 0.258 0.000 1.036 793 Y CA -0.878 57.404 58.100 0.303 0.000 1.042 793 Y CB 1.322 40.050 38.460 0.447 0.000 1.289 793 Y HN 1.246 nan 8.280 nan 0.000 0.471 794 G N 1.739 110.895 108.800 0.594 0.000 2.552 794 G HA2 0.521 4.353 3.960 -0.213 0.000 0.288 794 G HA3 0.521 4.353 3.960 -0.213 0.000 0.288 794 G C -2.286 172.869 174.900 0.425 0.000 1.358 794 G CA -0.754 44.634 45.100 0.480 0.000 1.305 794 G HN 1.139 nan 8.290 nan 0.000 0.602 795 Y N -0.289 120.112 120.300 0.168 0.000 2.656 795 Y HA 0.842 5.265 4.550 -0.213 0.000 0.334 795 Y C -0.998 174.751 175.900 -0.252 0.000 1.179 795 Y CA -2.063 55.745 58.100 -0.487 0.000 1.050 795 Y CB 1.962 39.978 38.460 -0.740 0.000 1.308 795 Y HN 0.540 nan 8.280 nan 0.000 0.456 796 M N 3.369 122.805 119.600 -0.274 0.000 2.167 796 M HA 0.523 4.875 4.480 -0.213 0.000 0.333 796 M C -1.995 174.369 176.300 0.108 0.000 1.030 796 M CA -1.047 54.280 55.300 0.045 0.000 0.963 796 M CB 1.344 34.004 32.600 0.100 0.000 1.589 796 M HN 0.766 nan 8.290 nan 0.000 0.431 797 L N 7.249 128.558 121.223 0.143 0.000 2.281 797 L HA 0.577 4.790 4.340 -0.213 0.000 0.285 797 L C -1.419 175.394 176.870 -0.094 0.000 1.074 797 L CA 0.476 55.287 54.840 -0.047 0.000 0.817 797 L CB 0.098 42.161 42.059 0.006 0.000 1.168 797 L HN 0.731 nan 8.230 nan 0.000 0.434 798 I N 8.138 128.622 120.570 -0.144 0.000 2.495 798 I HA 0.382 4.425 4.170 -0.213 0.000 0.277 798 I C -2.303 173.689 176.117 -0.207 0.000 1.045 798 I CA -1.601 59.647 61.300 -0.087 0.000 1.135 798 I CB 1.389 39.489 38.000 0.167 0.000 1.241 798 I HN 0.503 nan 8.210 nan 0.000 0.469 799 P HA 0.383 nan 4.420 nan 0.000 0.285 799 P C -0.541 176.649 177.300 -0.184 0.000 1.269 799 P CA -0.410 62.468 63.100 -0.370 0.000 0.844 799 P CB 0.899 32.211 31.700 -0.648 0.000 1.094 800 N N -2.545 116.107 118.700 -0.081 0.000 2.776 800 N HA -0.104 4.509 4.740 -0.213 0.000 0.250 800 N C -0.224 175.333 175.510 0.077 0.000 1.112 800 N CA 1.273 54.346 53.050 0.038 0.000 0.733 800 N CB -2.170 36.394 38.487 0.128 0.000 1.097 800 N HN 0.411 nan 8.380 nan 0.000 0.558 801 V N -3.205 116.768 119.914 0.098 0.000 3.001 801 V HA 0.833 4.826 4.120 -0.213 0.000 0.314 801 V C 0.353 176.566 176.094 0.198 0.000 1.099 801 V CA -1.096 61.281 62.300 0.127 0.000 0.989 801 V CB 2.317 34.213 31.823 0.123 0.000 1.040 801 V HN 0.166 nan 8.190 nan 0.000 0.434 802 D N 1.926 122.402 120.400 0.126 0.000 2.398 802 D HA 0.206 4.719 4.640 -0.213 0.000 0.247 802 D C 1.116 177.367 176.300 -0.082 0.000 1.227 802 D CA -0.294 53.775 54.000 0.115 0.000 0.980 802 D CB 0.833 41.666 40.800 0.054 0.000 1.106 802 D HN 0.697 nan 8.370 nan 0.000 0.493 803 R N -0.084 120.244 120.500 -0.285 0.000 2.081 803 R HA -0.143 4.070 4.340 -0.213 0.000 0.235 803 R C 1.982 178.023 176.300 -0.432 0.000 1.131 803 R CA 1.512 57.134 56.100 -0.797 0.000 0.960 803 R CB -0.646 29.254 30.300 -0.666 0.000 0.856 803 R HN 0.576 nan 8.270 nan 0.000 0.436 804 A N -0.058 122.618 122.820 -0.240 0.000 1.933 804 A HA -0.117 4.075 4.320 -0.213 0.000 0.218 804 A C 2.149 179.647 177.584 -0.143 0.000 1.175 804 A CA 1.965 53.901 52.037 -0.168 0.000 0.628 804 A CB -0.757 18.177 19.000 -0.110 0.000 0.814 804 A HN 0.463 nan 8.150 nan 0.000 0.444 805 T N -0.883 113.608 114.554 -0.105 0.000 2.777 805 T HA -0.087 4.136 4.350 -0.213 0.000 0.266 805 T C 1.604 176.262 174.700 -0.071 0.000 1.040 805 T CA 1.394 63.451 62.100 -0.071 0.000 1.141 805 T CB -0.385 68.469 68.868 -0.023 0.000 0.868 805 T HN 0.477 nan 8.240 nan 0.000 0.444 806 F N 3.190 122.993 119.950 -0.245 0.000 2.126 806 F HA -0.165 4.234 4.527 -0.213 0.000 0.299 806 F C 1.995 177.628 175.800 -0.278 0.000 1.096 806 F CA 1.187 59.033 58.000 -0.256 0.000 1.255 806 F CB -0.485 38.278 39.000 -0.394 0.000 0.997 806 F HN 0.050 nan 8.300 nan 0.000 0.479 807 N N 0.364 118.870 118.700 -0.323 0.000 2.166 807 N HA -0.208 4.405 4.740 -0.213 0.000 0.186 807 N C 1.861 177.155 175.510 -0.359 0.000 1.019 807 N CA 1.381 54.199 53.050 -0.387 0.000 0.856 807 N CB -0.585 37.762 38.487 -0.234 0.000 0.993 807 N HN 0.498 nan 8.380 nan 0.000 0.426 808 Q N 0.238 119.878 119.800 -0.266 0.000 2.079 808 Q HA 0.090 4.302 4.340 -0.213 0.000 0.200 808 Q C 2.050 177.890 176.000 -0.267 0.000 0.974 808 Q CA 1.076 56.747 55.803 -0.220 0.000 0.840 808 Q CB 0.050 28.697 28.738 -0.151 0.000 0.898 808 Q HN 0.291 nan 8.270 nan 0.000 0.430 809 M N 0.144 119.564 119.600 -0.299 0.000 2.159 809 M HA -0.142 4.210 4.480 -0.213 0.000 0.263 809 M C 2.106 178.121 176.300 -0.474 0.000 1.063 809 M CA 1.367 56.482 55.300 -0.309 0.000 1.110 809 M CB -0.320 32.138 32.600 -0.237 0.000 1.374 809 M HN 0.445 nan 8.290 nan 0.000 0.411 810 I N -2.290 117.840 120.570 -0.733 0.000 2.546 810 I HA -0.175 3.867 4.170 -0.213 0.000 0.255 810 I C 1.910 177.545 176.117 -0.803 0.000 1.163 810 I CA 1.129 61.751 61.300 -1.130 0.000 1.457 810 I CB -0.518 36.573 38.000 -1.515 0.000 1.092 810 I HN 0.099 nan 8.210 nan 0.000 0.434 811 K N 1.755 121.871 120.400 -0.473 0.000 2.097 811 K HA -0.111 4.082 4.320 -0.213 0.000 0.205 811 K C 1.901 178.377 176.600 -0.206 0.000 1.050 811 K CA 1.522 57.647 56.287 -0.271 0.000 0.938 811 K CB -0.291 32.095 32.500 -0.191 0.000 0.718 811 K HN 0.566 nan 8.250 nan 0.000 0.442 812 E N 0.343 120.410 120.200 -0.221 0.000 2.204 812 E HA -0.119 4.103 4.350 -0.213 0.000 0.195 812 E C 1.068 177.588 176.600 -0.133 0.000 0.990 812 E CA 0.538 56.843 56.400 -0.158 0.000 0.821 812 E CB 0.094 29.699 29.700 -0.158 0.000 0.750 812 E HN -0.002 nan 8.360 nan 0.000 0.477 813 L N 0.624 121.742 121.223 -0.175 0.000 2.628 813 L HA 0.041 4.253 4.340 -0.213 0.000 0.229 813 L C 1.760 178.733 176.870 0.171 0.000 1.137 813 L CA 0.670 55.494 54.840 -0.026 0.000 0.909 813 L CB -0.064 41.969 42.059 -0.044 0.000 1.137 813 L HN 0.000 nan 8.230 nan 0.000 0.470 814 E N 0.587 120.836 120.200 0.082 0.000 2.160 814 E HA -0.176 4.047 4.350 -0.213 0.000 0.195 814 E C 1.806 178.549 176.600 0.238 0.000 0.991 814 E CA 1.491 58.028 56.400 0.229 0.000 0.810 814 E CB 0.159 29.924 29.700 0.107 0.000 0.742 814 E HN 0.367 nan 8.360 nan 0.000 0.466 815 S N -1.156 114.634 115.700 0.150 0.000 2.602 815 S HA 0.122 4.464 4.470 -0.213 0.000 0.240 815 S C 1.454 176.113 174.600 0.099 0.000 0.992 815 S CA 0.194 58.464 58.200 0.117 0.000 0.971 815 S CB 0.026 63.281 63.200 0.091 0.000 0.855 815 S HN 0.240 nan 8.310 nan 0.000 0.481 816 S N 1.376 117.144 115.700 0.114 0.000 2.423 816 S HA 0.103 4.445 4.470 -0.213 0.000 0.231 816 S C 0.888 175.392 174.600 -0.160 0.000 1.014 816 S CA -0.121 58.096 58.200 0.028 0.000 0.965 816 S CB -0.576 62.679 63.200 0.092 0.000 0.785 816 S HN 0.575 nan 8.310 nan 0.000 0.495 817 L N 2.900 123.934 121.223 -0.314 0.000 2.369 817 L HA 0.231 4.443 4.340 -0.213 0.000 0.279 817 L C 0.670 177.408 176.870 -0.219 0.000 1.108 817 L CA 0.077 54.608 54.840 -0.515 0.000 0.852 817 L CB 0.163 41.843 42.059 -0.631 0.000 1.169 817 L HN 0.192 nan 8.230 nan 0.000 0.452 818 I N 3.235 123.696 120.570 -0.181 0.000 2.429 818 I HA 0.129 4.171 4.170 -0.213 0.000 0.247 818 I C 0.679 176.742 176.117 -0.090 0.000 1.099 818 I CA 0.735 61.990 61.300 -0.076 0.000 1.422 818 I CB -0.234 37.765 38.000 -0.002 0.000 1.112 818 I HN 0.602 nan 8.210 nan 0.000 0.430 819 E N 0.449 120.579 120.200 -0.117 0.000 2.375 819 E HA 0.329 4.551 4.350 -0.213 0.000 0.280 819 E C -0.957 175.584 176.600 -0.099 0.000 0.972 819 E CA -0.456 55.893 56.400 -0.085 0.000 0.782 819 E CB 1.461 31.134 29.700 -0.046 0.000 1.229 819 E HN 0.141 nan 8.360 nan 0.000 0.439 820 N N 3.417 122.073 118.700 -0.073 0.000 2.722 820 N HA 0.191 4.804 4.740 -0.213 0.000 0.242 820 N C -1.371 174.110 175.510 -0.049 0.000 1.398 820 N CA -0.263 52.747 53.050 -0.066 0.000 0.755 820 N CB 0.011 38.440 38.487 -0.096 0.000 1.268 820 N HN 0.521 nan 8.380 nan 0.000 0.522 821 N N 0.134 118.818 118.700 -0.026 0.000 3.167 821 N HA 0.173 4.786 4.740 -0.213 0.000 0.323 821 N C 0.943 176.438 175.510 -0.024 0.000 1.478 821 N CA -0.601 52.430 53.050 -0.033 0.000 0.753 821 N CB 0.256 38.729 38.487 -0.023 0.000 1.721 821 N HN 0.117 nan 8.380 nan 0.000 0.618 822 E N -1.069 119.105 120.200 -0.043 0.000 2.338 822 E HA -0.138 4.084 4.350 -0.213 0.000 0.197 822 E C 0.386 177.018 176.600 0.054 0.000 1.007 822 E CA 1.953 58.322 56.400 -0.051 0.000 0.849 822 E CB -0.630 29.011 29.700 -0.098 0.000 0.774 822 E HN 0.798 nan 8.360 nan 0.000 0.506 823 T N -1.959 112.635 114.554 0.066 0.000 2.959 823 T HA 0.339 4.561 4.350 -0.213 0.000 0.254 823 T C 0.418 175.228 174.700 0.182 0.000 1.003 823 T CA -0.355 61.822 62.100 0.129 0.000 0.950 823 T CB 0.282 69.205 68.868 0.092 0.000 1.090 823 T HN 0.076 nan 8.240 nan 0.000 0.503 824 L N 1.426 122.729 121.223 0.134 0.000 2.470 824 L HA 0.600 4.813 4.340 -0.213 0.000 0.268 824 L C -1.891 175.054 176.870 0.126 0.000 0.964 824 L CA -0.519 54.406 54.840 0.141 0.000 0.839 824 L CB 2.359 44.459 42.059 0.068 0.000 1.276 824 L HN 0.116 nan 8.230 nan 0.000 0.403 825 Q N 3.070 122.989 119.800 0.198 0.000 2.304 825 Q HA 0.768 4.981 4.340 -0.213 0.000 0.270 825 Q C -1.439 174.690 176.000 0.214 0.000 1.035 825 Q CA -0.667 55.247 55.803 0.185 0.000 0.781 825 Q CB 2.390 31.312 28.738 0.308 0.000 1.261 825 Q HN 0.630 nan 8.270 nan 0.000 0.444 826 S N 1.558 117.220 115.700 -0.065 0.000 2.543 826 S HA 0.639 4.982 4.470 -0.213 0.000 0.273 826 S C -1.655 172.704 174.600 -0.400 0.000 1.152 826 S CA -0.488 57.648 58.200 -0.105 0.000 0.910 826 S CB 1.491 64.743 63.200 0.087 0.000 1.105 826 S HN 0.313 nan 8.310 nan 0.000 0.465 827 V N 4.655 124.276 119.914 -0.488 0.000 2.735 827 V HA 0.612 4.604 4.120 -0.213 0.000 0.310 827 V C -1.366 174.725 176.094 -0.006 0.000 1.061 827 V CA -0.737 61.329 62.300 -0.390 0.000 0.913 827 V CB 1.799 33.241 31.823 -0.635 0.000 1.005 827 V HN 0.864 nan 8.190 nan 0.000 0.428 828 Y N 2.825 123.020 120.300 -0.176 0.000 2.350 828 Y HA 0.597 5.020 4.550 -0.213 0.000 0.338 828 Y C -0.611 175.144 175.900 -0.242 0.000 0.961 828 Y CA -1.609 56.314 58.100 -0.294 0.000 1.100 828 Y CB 1.745 39.996 38.460 -0.348 0.000 1.179 828 Y HN 0.716 nan 8.280 nan 0.000 0.454 829 D N 4.886 124.926 120.400 -0.599 0.000 2.467 829 D HA 0.372 4.885 4.640 -0.213 0.000 0.220 829 D C 0.579 176.280 176.300 -0.999 0.000 1.103 829 D CA 0.244 53.893 54.000 -0.585 0.000 0.886 829 D CB 1.382 42.025 40.800 -0.261 0.000 1.025 829 D HN 0.782 nan 8.370 nan 0.000 0.514 830 A N 4.820 126.982 122.820 -1.097 0.000 1.933 830 A HA -0.151 4.042 4.320 -0.213 0.000 0.218 830 A C 2.054 179.393 177.584 -0.408 0.000 1.175 830 A CA 1.055 52.546 52.037 -0.909 0.000 0.628 830 A CB -0.150 18.546 19.000 -0.508 0.000 0.814 830 A HN 0.535 nan 8.150 nan 0.000 0.444 831 K N -0.680 119.539 120.400 -0.303 0.000 2.026 831 K HA -0.159 4.033 4.320 -0.213 0.000 0.208 831 K C 2.220 178.732 176.600 -0.146 0.000 1.048 831 K CA 1.758 57.939 56.287 -0.176 0.000 0.929 831 K CB -0.164 32.252 32.500 -0.139 0.000 0.713 831 K HN 0.603 nan 8.250 nan 0.000 0.439 832 Q N -0.955 118.744 119.800 -0.168 0.000 2.331 832 Q HA 0.008 4.220 4.340 -0.213 0.000 0.203 832 Q C 0.594 176.541 176.000 -0.090 0.000 0.944 832 Q CA 0.611 56.351 55.803 -0.105 0.000 0.892 832 Q CB 0.549 29.237 28.738 -0.082 0.000 0.983 832 Q HN 0.535 nan 8.270 nan 0.000 0.482 833 G N 1.049 109.747 108.800 -0.170 0.000 2.256 833 G HA2 -0.217 3.616 3.960 -0.213 0.000 0.272 833 G HA3 -0.217 3.616 3.960 -0.213 0.000 0.272 833 G C -0.355 174.518 174.900 -0.044 0.000 1.076 833 G CA 0.091 45.135 45.100 -0.094 0.000 0.882 833 G HN 0.178 nan 8.290 nan 0.000 0.497 834 V N 0.718 120.549 119.914 -0.138 0.000 2.656 834 V HA 0.744 4.737 4.120 -0.213 0.000 0.307 834 V C 0.008 176.180 176.094 0.130 0.000 1.051 834 V CA -1.063 61.297 62.300 0.101 0.000 0.893 834 V CB 1.835 33.713 31.823 0.092 0.000 0.999 834 V HN 0.352 nan 8.190 nan 0.000 0.426 835 W N 2.017 123.544 121.300 0.378 0.000 2.666 835 W HA 0.702 5.234 4.660 -0.213 0.000 0.334 835 W C 0.288 177.013 176.519 0.343 0.000 1.051 835 W CA -0.814 56.767 57.345 0.393 0.000 1.224 835 W CB 2.512 32.232 29.460 0.434 0.000 1.405 835 W HN 0.740 nan 8.180 nan 0.000 0.513 836 G N 2.501 111.658 108.800 0.595 0.000 2.379 836 G HA2 0.797 4.630 3.960 -0.213 0.000 0.327 836 G HA3 0.797 4.630 3.960 -0.213 0.000 0.327 836 G C -1.386 173.936 174.900 0.703 0.000 1.145 836 G CA -0.604 44.888 45.100 0.654 0.000 0.905 836 G HN 0.387 nan 8.290 nan 0.000 0.466 837 I N 0.972 121.901 120.570 0.598 0.000 2.656 837 I HA 0.348 4.390 4.170 -0.213 0.000 0.292 837 I C -0.824 175.581 176.117 0.480 0.000 1.144 837 I CA -1.049 60.550 61.300 0.498 0.000 1.038 837 I CB 2.716 40.871 38.000 0.258 0.000 1.244 837 I HN 0.157 nan 8.210 nan 0.000 0.420 838 V N 5.177 125.354 119.914 0.438 0.000 2.487 838 V HA 0.449 4.442 4.120 -0.213 0.000 0.298 838 V C -0.317 176.012 176.094 0.393 0.000 1.028 838 V CA -0.769 61.760 62.300 0.381 0.000 0.860 838 V CB 1.877 33.892 31.823 0.320 0.000 0.991 838 V HN 0.610 nan 8.190 nan 0.000 0.427 839 K N 3.236 123.877 120.400 0.403 0.000 2.274 839 K HA 0.465 4.657 4.320 -0.213 0.000 0.262 839 K C -0.657 176.101 176.600 0.265 0.000 0.961 839 K CA -0.599 55.891 56.287 0.338 0.000 0.833 839 K CB 1.832 34.524 32.500 0.320 0.000 1.102 839 K HN 0.611 nan 8.250 nan 0.000 0.436 840 Y N 0.854 121.198 120.300 0.074 0.000 2.466 840 Y HA -0.016 4.406 4.550 -0.213 0.000 0.272 840 Y C 0.385 176.195 175.900 -0.150 0.000 1.169 840 Y CA -0.002 58.007 58.100 -0.152 0.000 1.285 840 Y CB 0.382 38.716 38.460 -0.210 0.000 1.078 840 Y HN 0.666 nan 8.280 nan 0.000 0.523 841 D N -3.234 117.211 120.400 0.076 0.000 2.652 841 D HA 0.141 4.654 4.640 -0.213 0.000 0.285 841 D C -0.538 175.795 176.300 0.054 0.000 1.173 841 D CA -0.655 53.366 54.000 0.034 0.000 0.981 841 D CB 0.485 41.308 40.800 0.039 0.000 1.440 841 D HN -0.261 nan 8.370 nan 0.000 0.485 842 D N -0.400 120.020 120.400 0.034 0.000 2.395 842 D HA 0.120 4.633 4.640 -0.213 0.000 0.226 842 D C 0.187 176.499 176.300 0.020 0.000 1.146 842 D CA 0.014 54.036 54.000 0.036 0.000 0.830 842 D CB -0.036 40.777 40.800 0.021 0.000 0.958 842 D HN 0.425 nan 8.370 nan 0.000 0.501 843 S N -0.672 115.038 115.700 0.018 0.000 2.576 843 S HA 0.147 4.490 4.470 -0.213 0.000 0.272 843 S C 0.537 175.128 174.600 -0.014 0.000 1.352 843 S CA -0.726 57.474 58.200 -0.001 0.000 1.021 843 S CB 1.412 64.611 63.200 -0.002 0.000 0.887 843 S HN -0.098 nan 8.310 nan 0.000 0.542 844 V N 2.739 122.632 119.914 -0.035 0.000 2.439 844 V HA 0.233 4.225 4.120 -0.213 0.000 0.271 844 V C 0.234 176.279 176.094 -0.080 0.000 1.040 844 V CA -0.121 62.142 62.300 -0.063 0.000 1.002 844 V CB 0.341 32.121 31.823 -0.072 0.000 1.000 844 V HN 0.919 nan 8.190 nan 0.000 0.477 845 S N 3.685 119.322 115.700 -0.104 0.000 2.433 845 S HA 0.416 4.758 4.470 -0.213 0.000 0.310 845 S C 0.194 174.667 174.600 -0.211 0.000 1.097 845 S CA -0.500 57.620 58.200 -0.133 0.000 1.103 845 S CB 1.282 64.412 63.200 -0.116 0.000 0.992 845 S HN 0.780 nan 8.310 nan 0.000 0.469 846 T N 4.593 119.014 114.554 -0.222 0.000 2.806 846 T HA 0.440 4.663 4.350 -0.213 0.000 0.290 846 T C -0.206 174.257 174.700 -0.394 0.000 0.966 846 T CA -0.391 61.524 62.100 -0.308 0.000 1.060 846 T CB 0.206 68.937 68.868 -0.229 0.000 0.927 846 T HN 0.355 nan 8.240 nan 0.000 0.485 847 I N 2.700 122.870 120.570 -0.668 0.000 2.410 847 I HA 0.273 4.315 4.170 -0.213 0.000 0.286 847 I C 0.725 176.365 176.117 -0.796 0.000 1.009 847 I CA -0.568 60.244 61.300 -0.814 0.000 1.111 847 I CB 1.012 38.220 38.000 -1.320 0.000 1.262 847 I HN 0.776 nan 8.210 nan 0.000 0.443 848 S N 4.326 119.791 115.700 -0.391 0.000 3.587 848 S HA -0.264 4.079 4.470 -0.213 0.000 0.337 848 S C 0.721 175.211 174.600 -0.183 0.000 1.119 848 S CA 1.080 59.156 58.200 -0.206 0.000 0.976 848 S CB -1.598 61.559 63.200 -0.072 0.000 0.922 848 S HN 0.910 nan 8.310 nan 0.000 0.503 849 N N -0.189 118.379 118.700 -0.220 0.000 2.701 849 N HA -0.263 4.350 4.740 -0.213 0.000 0.250 849 N C 0.833 176.254 175.510 -0.148 0.000 1.046 849 N CA 1.340 54.288 53.050 -0.169 0.000 0.733 849 N CB -0.323 38.111 38.487 -0.089 0.000 0.973 849 N HN 0.695 nan 8.380 nan 0.000 0.541 850 Q N -1.496 118.148 119.800 -0.259 0.000 2.534 850 Q HA 0.224 4.437 4.340 -0.213 0.000 0.252 850 Q C 0.163 176.068 176.000 -0.159 0.000 0.850 850 Q CA 0.763 56.503 55.803 -0.105 0.000 0.974 850 Q CB 0.774 29.543 28.738 0.052 0.000 1.205 850 Q HN 0.475 nan 8.270 nan 0.000 0.593 851 F N -0.744 118.935 119.950 -0.452 0.000 2.779 851 F HA 0.578 4.978 4.527 -0.213 0.000 0.316 851 F C -1.646 173.815 175.800 -0.566 0.000 1.164 851 F CA -1.265 56.344 58.000 -0.651 0.000 0.924 851 F CB 1.129 39.508 39.000 -1.036 0.000 1.348 851 F HN -0.330 nan 8.300 nan 0.000 0.467 852 Q N 1.655 121.235 119.800 -0.366 0.000 2.353 852 Q HA 0.700 4.912 4.340 -0.213 0.000 0.268 852 Q C -1.235 174.632 176.000 -0.222 0.000 1.045 852 Q CA -1.394 54.228 55.803 -0.302 0.000 0.811 852 Q CB 3.250 31.831 28.738 -0.260 0.000 1.305 852 Q HN 0.730 nan 8.270 nan 0.000 0.447 853 V N 0.175 119.987 119.914 -0.171 0.000 2.628 853 V HA 0.514 4.506 4.120 -0.213 0.000 0.306 853 V C -0.046 175.989 176.094 -0.098 0.000 1.045 853 V CA -0.630 61.569 62.300 -0.168 0.000 0.905 853 V CB 1.197 32.703 31.823 -0.529 0.000 0.997 853 V HN 0.854 nan 8.190 nan 0.000 0.436 854 L N 1.137 122.369 121.223 0.015 0.000 2.878 854 L HA 0.500 4.713 4.340 -0.213 0.000 0.253 854 L C 0.771 177.680 176.870 0.066 0.000 1.135 854 L CA 0.143 54.993 54.840 0.015 0.000 0.943 854 L CB 0.241 42.291 42.059 -0.016 0.000 1.307 854 L HN 0.633 nan 8.230 nan 0.000 0.545 855 K N 1.223 121.725 120.400 0.170 0.000 2.422 855 K HA 0.386 4.579 4.320 -0.213 0.000 0.251 855 K C -0.612 176.180 176.600 0.321 0.000 0.933 855 K CA -0.863 55.521 56.287 0.162 0.000 0.798 855 K CB 2.998 35.506 32.500 0.014 0.000 1.238 855 K HN -0.085 nan 8.250 nan 0.000 0.428 856 R N 1.112 121.745 120.500 0.222 0.000 2.583 856 R HA 0.133 4.346 4.340 -0.213 0.000 0.274 856 R C 0.101 176.628 176.300 0.378 0.000 0.998 856 R CA 1.389 57.625 56.100 0.226 0.000 1.081 856 R CB 0.021 30.341 30.300 0.033 0.000 0.940 856 R HN 0.880 nan 8.270 nan 0.000 0.413 857 G N 1.366 110.431 108.800 0.442 0.000 2.339 857 G HA2 0.134 3.966 3.960 -0.213 0.000 0.275 857 G HA3 0.134 3.966 3.960 -0.213 0.000 0.275 857 G C -1.749 173.228 174.900 0.129 0.000 1.323 857 G CA -0.417 44.802 45.100 0.198 0.000 0.927 857 G HN 0.578 nan 8.290 nan 0.000 0.486 858 V N 0.417 120.206 119.914 -0.208 0.000 2.588 858 V HA 0.758 4.750 4.120 -0.213 0.000 0.304 858 V C -1.331 174.724 176.094 -0.065 0.000 1.042 858 V CA -0.709 61.575 62.300 -0.027 0.000 0.877 858 V CB 1.411 33.160 31.823 -0.124 0.000 0.996 858 V HN 0.729 nan 8.190 nan 0.000 0.425 859 Y N 1.092 121.486 120.300 0.155 0.000 2.477 859 Y HA 0.733 5.156 4.550 -0.213 0.000 0.347 859 Y C 0.280 176.298 175.900 0.197 0.000 0.981 859 Y CA -0.923 57.302 58.100 0.209 0.000 1.033 859 Y CB 2.606 41.233 38.460 0.279 0.000 1.245 859 Y HN 0.539 nan 8.280 nan 0.000 0.455 860 T N 4.517 119.261 114.554 0.317 0.000 2.881 860 T HA 0.703 4.925 4.350 -0.213 0.000 0.291 860 T C -0.748 174.099 174.700 0.245 0.000 0.990 860 T CA -0.465 61.802 62.100 0.279 0.000 0.976 860 T CB 0.676 69.651 68.868 0.178 0.000 0.970 860 T HN 0.406 nan 8.240 nan 0.000 0.438 861 I N 2.428 123.184 120.570 0.310 0.000 2.533 861 I HA 0.546 4.589 4.170 -0.213 0.000 0.290 861 I C -0.189 176.163 176.117 0.392 0.000 1.056 861 I CA -0.900 60.543 61.300 0.237 0.000 1.057 861 I CB 2.414 40.462 38.000 0.081 0.000 1.240 861 I HN 0.304 nan 8.210 nan 0.000 0.423 862 R N 5.350 126.016 120.500 0.277 0.000 2.599 862 R HA 0.477 4.689 4.340 -0.213 0.000 0.295 862 R C -1.107 175.353 176.300 0.267 0.000 0.963 862 R CA -0.819 55.458 56.100 0.295 0.000 0.883 862 R CB 2.004 32.392 30.300 0.146 0.000 1.171 862 R HN 0.562 nan 8.270 nan 0.000 0.450 863 K N 3.002 123.585 120.400 0.305 0.000 2.213 863 K HA 0.188 4.381 4.320 -0.213 0.000 0.270 863 K C -1.123 175.462 176.600 -0.024 0.000 1.002 863 K CA -0.277 56.006 56.287 -0.008 0.000 0.868 863 K CB 1.201 33.763 32.500 0.104 0.000 1.093 863 K HN 0.566 nan 8.250 nan 0.000 0.454 864 E N 3.303 123.442 120.200 -0.102 0.000 2.267 864 E HA 0.252 4.474 4.350 -0.213 0.000 0.248 864 E C 0.057 176.614 176.600 -0.072 0.000 0.899 864 E CA -0.311 56.057 56.400 -0.053 0.000 0.764 864 E CB 1.468 31.150 29.700 -0.030 0.000 1.227 864 E HN 0.987 nan 8.360 nan 0.000 0.421 865 G N 3.799 112.569 108.800 -0.049 0.000 2.561 865 G HA2 -0.352 3.480 3.960 -0.213 0.000 0.289 865 G HA3 -0.352 3.480 3.960 -0.213 0.000 0.289 865 G C 0.406 175.264 174.900 -0.069 0.000 1.169 865 G CA 0.304 45.382 45.100 -0.038 0.000 0.980 865 G HN 0.617 nan 8.290 nan 0.000 0.550 866 D N 2.002 122.374 120.400 -0.047 0.000 2.340 866 D HA 0.166 4.679 4.640 -0.213 0.000 0.220 866 D C 0.732 176.988 176.300 -0.074 0.000 1.039 866 D CA 0.637 54.619 54.000 -0.031 0.000 0.866 866 D CB 0.292 41.108 40.800 0.027 0.000 0.913 866 D HN 0.392 nan 8.370 nan 0.000 0.523 867 E N 0.273 120.391 120.200 -0.137 0.000 2.214 867 E HA 0.298 4.521 4.350 -0.213 0.000 0.274 867 E C -0.758 175.686 176.600 -0.260 0.000 0.977 867 E CA -0.579 55.766 56.400 -0.091 0.000 0.827 867 E CB 1.415 31.093 29.700 -0.036 0.000 1.130 867 E HN 0.071 nan 8.360 nan 0.000 0.394 868 Y N 0.719 121.010 120.300 -0.015 0.000 2.350 868 Y HA 0.297 4.719 4.550 -0.213 0.000 0.338 868 Y C 0.537 176.312 175.900 -0.209 0.000 0.961 868 Y CA -0.662 57.364 58.100 -0.124 0.000 1.100 868 Y CB 1.633 39.929 38.460 -0.273 0.000 1.179 868 Y HN 0.037 nan 8.280 nan 0.000 0.454 869 K N 4.465 124.854 120.400 -0.018 0.000 2.227 869 K HA 0.584 4.777 4.320 -0.213 0.000 0.280 869 K C -1.110 175.431 176.600 -0.099 0.000 1.041 869 K CA -0.347 55.909 56.287 -0.051 0.000 0.905 869 K CB 1.063 33.561 32.500 -0.002 0.000 1.068 869 K HN 0.587 nan 8.250 nan 0.000 0.470 870 I N 1.889 122.372 120.570 -0.144 0.000 2.509 870 I HA 0.366 4.408 4.170 -0.213 0.000 0.293 870 I C -0.657 175.450 176.117 -0.016 0.000 1.020 870 I CA -0.665 60.548 61.300 -0.145 0.000 1.088 870 I CB 2.155 39.969 38.000 -0.309 0.000 1.267 870 I HN 0.550 nan 8.210 nan 0.000 0.430 871 A N 5.721 128.572 122.820 0.053 0.000 2.340 871 A HA 0.608 4.801 4.320 -0.213 0.000 0.297 871 A C -1.583 176.055 177.584 0.090 0.000 1.195 871 A CA -0.383 51.691 52.037 0.060 0.000 0.769 871 A CB 0.532 19.555 19.000 0.038 0.000 1.163 871 A HN 0.628 nan 8.150 nan 0.000 0.472 872 Y N 2.584 122.842 120.300 -0.070 0.000 2.393 872 Y HA 0.679 5.102 4.550 -0.213 0.000 0.341 872 Y C -1.692 174.170 175.900 -0.064 0.000 0.988 872 Y CA -1.291 56.681 58.100 -0.214 0.000 1.078 872 Y CB 1.518 39.790 38.460 -0.312 0.000 1.203 872 Y HN 0.646 nan 8.280 nan 0.000 0.453 873 Y N 5.771 125.359 120.300 -1.188 0.000 2.421 873 Y HA 0.352 4.775 4.550 -0.213 0.000 0.339 873 Y C -1.350 173.917 175.900 -1.056 0.000 0.996 873 Y CA -1.521 56.043 58.100 -0.893 0.000 1.046 873 Y CB 1.509 39.699 38.460 -0.451 0.000 1.226 873 Y HN 0.791 nan 8.280 nan 0.000 0.445 874 N N 7.811 125.846 118.700 -1.108 0.000 2.500 874 N HA 0.297 4.910 4.740 -0.213 0.000 0.236 874 N C -2.108 172.827 175.510 -0.958 0.000 1.022 874 N CA -1.995 50.626 53.050 -0.714 0.000 0.935 874 N CB 1.291 39.631 38.487 -0.245 0.000 1.147 874 N HN 0.339 nan 8.380 nan 0.000 0.512 875 P HA -0.090 nan 4.420 nan 0.000 0.223 875 P C 0.330 177.431 177.300 -0.331 0.000 1.151 875 P CA 1.084 63.753 63.100 -0.719 0.000 0.787 875 P CB 0.356 31.741 31.700 -0.525 0.000 0.788 876 E N -0.525 119.574 120.200 -0.167 0.000 2.076 876 E HA -0.085 4.138 4.350 -0.213 0.000 0.190 876 E C 1.748 178.311 176.600 -0.061 0.000 0.979 876 E CA 1.790 58.167 56.400 -0.037 0.000 0.807 876 E CB -0.423 29.310 29.700 0.055 0.000 0.761 876 E HN 0.336 nan 8.360 nan 0.000 0.454 877 T N -2.066 112.428 114.554 -0.100 0.000 3.081 877 T HA 0.010 4.233 4.350 -0.213 0.000 0.250 877 T C 0.467 175.119 174.700 -0.080 0.000 1.100 877 T CA -0.103 61.958 62.100 -0.065 0.000 1.038 877 T CB 0.097 68.942 68.868 -0.039 0.000 0.962 877 T HN 0.076 nan 8.240 nan 0.000 0.516 878 Q N 0.770 120.455 119.800 -0.193 0.000 2.463 878 Q HA -0.158 4.055 4.340 -0.213 0.000 0.299 878 Q C -0.780 175.239 176.000 0.031 0.000 1.353 878 Q CA 0.707 56.451 55.803 -0.098 0.000 0.828 878 Q CB -1.786 26.999 28.738 0.078 0.000 1.157 878 Q HN 0.753 nan 8.270 nan 0.000 0.436 879 E N -0.663 119.475 120.200 -0.102 0.000 2.383 879 E HA 0.542 4.764 4.350 -0.213 0.000 0.275 879 E C -0.651 175.967 176.600 0.031 0.000 0.918 879 E CA -0.380 56.041 56.400 0.036 0.000 0.764 879 E CB 2.160 31.880 29.700 0.033 0.000 1.252 879 E HN 0.116 nan 8.360 nan 0.000 0.449 880 S N 0.335 116.115 115.700 0.134 0.000 2.481 880 S HA 0.847 5.190 4.470 -0.213 0.000 0.267 880 S C -0.773 173.989 174.600 0.270 0.000 1.174 880 S CA 0.282 58.604 58.200 0.203 0.000 1.027 880 S CB 0.854 64.159 63.200 0.174 0.000 1.117 880 S HN 0.582 nan 8.310 nan 0.000 0.495 881 A N 0.553 123.537 122.820 0.272 0.000 2.608 881 A HA 0.689 4.882 4.320 -0.213 0.000 0.292 881 A C -3.108 174.510 177.584 0.056 0.000 1.066 881 A CA -1.262 50.846 52.037 0.119 0.000 0.676 881 A CB 0.170 19.183 19.000 0.023 0.000 1.277 881 A HN 0.574 nan 8.150 nan 0.000 0.413 882 P HA 0.147 nan 4.420 nan 0.000 0.265 882 P C -0.044 177.259 177.300 0.005 0.000 1.193 882 P CA 0.107 63.218 63.100 0.019 0.000 0.765 882 P CB 0.533 32.242 31.700 0.015 0.000 0.823 883 D N 2.126 122.538 120.400 0.020 0.000 2.133 883 D HA -0.234 4.279 4.640 -0.213 0.000 0.192 883 D C 1.804 178.148 176.300 0.073 0.000 1.001 883 D CA 1.468 55.490 54.000 0.036 0.000 0.844 883 D CB -0.354 40.464 40.800 0.029 0.000 0.944 883 D HN 0.562 nan 8.370 nan 0.000 0.447 884 Q N 1.233 121.066 119.800 0.054 0.000 2.291 884 Q HA -0.163 4.049 4.340 -0.213 0.000 0.206 884 Q C 1.431 177.440 176.000 0.014 0.000 0.976 884 Q CA 1.163 56.994 55.803 0.047 0.000 0.875 884 Q CB -0.401 28.357 28.738 0.032 0.000 0.927 884 Q HN 0.414 nan 8.270 nan 0.000 0.450 885 E N 0.529 120.722 120.200 -0.012 0.000 2.208 885 E HA -0.074 4.148 4.350 -0.213 0.000 0.193 885 E C 1.867 178.424 176.600 -0.071 0.000 0.988 885 E CA 1.435 57.808 56.400 -0.045 0.000 0.828 885 E CB 0.393 30.053 29.700 -0.066 0.000 0.763 885 E HN 0.446 nan 8.360 nan 0.000 0.478 886 V N -2.891 116.984 119.914 -0.065 0.000 3.548 886 V HA 0.311 4.303 4.120 -0.213 0.000 0.279 886 V C -0.078 176.119 176.094 0.171 0.000 1.446 886 V CA -0.431 61.843 62.300 -0.043 0.000 1.023 886 V CB 0.202 31.794 31.823 -0.385 0.000 0.820 886 V HN 0.051 nan 8.190 nan 0.000 0.438 887 F N 1.628 121.559 119.950 -0.032 0.000 2.581 887 F HA 0.756 5.155 4.527 -0.213 0.000 0.311 887 F C -0.806 174.948 175.800 -0.077 0.000 1.113 887 F CA -0.903 57.063 58.000 -0.055 0.000 0.935 887 F CB 1.912 40.865 39.000 -0.079 0.000 1.232 887 F HN 0.014 nan 8.300 nan 0.000 0.445 888 K N 6.237 126.193 120.400 -0.740 0.000 2.578 888 K HA 0.295 4.487 4.320 -0.213 0.000 0.250 888 K C -1.376 174.752 176.600 -0.787 0.000 0.955 888 K CA -0.831 55.127 56.287 -0.548 0.000 0.825 888 K CB 1.498 33.831 32.500 -0.277 0.000 1.151 888 K HN 0.716 nan 8.250 nan 0.000 0.432 889 K N 4.050 124.119 120.400 -0.551 0.000 2.368 889 K HA 0.261 4.453 4.320 -0.213 0.000 0.282 889 K C -0.227 176.258 176.600 -0.192 0.000 1.035 889 K CA -0.151 55.928 56.287 -0.347 0.000 0.973 889 K CB 0.399 32.900 32.500 0.001 0.000 0.957 889 K HN 0.531 nan 8.250 nan 0.000 0.474 890 L N 0.000 121.130 121.223 -0.155 0.000 2.949 890 L HA 0.000 4.212 4.340 -0.213 0.000 0.249 890 L CA 0.000 54.777 54.840 -0.105 0.000 0.813 890 L CB 0.000 41.981 42.059 -0.130 0.000 0.961 890 L HN 0.000 nan 8.230 nan 0.000 0.502