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 3gvl_1_A DATA FIRST_RESID 241 DATA SEQUENCE VPRGSAKGDG VTDDTAALTS ALNDTPVGQK INGNGKTYKV TSLPDISRFI DATA SEQUENCE NTRFVYERIP GQPLYYASEE FVQGELFKIT DTPYYNAWPQ DKAFVYENVI DATA SEQUENCE YAPYMGSDRH GVSRLHVSWV KSGDDGQTWS TPEWLTDLHP DYPTVNYHCM DATA SEQUENCE SMGVCRNRLF AMIETRTLAK NALTNCALWD RPMSRSLHLT GGITKAANQR DATA SEQUENCE YATIHVPDHG LFVGDFVNFS NSAVTGVSGD MTVATVIDKD NFTVLTPNQQ DATA SEQUENCE TSDLNNAGKN WHMGTSFHKS PWRKTDLGLI PSVTEVHSFA TIDNNGFAMG DATA SEQUENCE YHQGDVAPRE VGLFYFPDAF NSPSNYVRRQ IPSEYEPDAS EPCIKYYDGV DATA SEQUENCE LYLITRGTRG DRLGSSLHRS RDIGQTWESL RFPHNVHHTT LPFAKVGDDL DATA SEQUENCE IMFGSERAEN EWEAGAPDDR YKASYPRTFY ARLNVNNWNA DDIEWVNITD DATA SEQUENCE QIYQGGIVNS GVGVGSVVVK DNYIYYMFGG EDHFNPWTYG DNSAKDPFKS DATA SEQUENCE DGHPSDLYCY KMKIGPDNRV SRDFRYGAVP NRAVPVFFDT NGVRTVPAPM DATA SEQUENCE EFTGDLGLGH VTIRASTSSN IRSEVLMEGE YGFIGKSIPT DNPAGQRIIF DATA SEQUENCE CGGEGTSSTT GAQITLYGAN NTDSRRIVYN GDEHLFQSAD VKPYNDNVTA DATA SEQUENCE LGGPSNRFTT AYLGSNPIVT 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 241 V HA 0.000 nan 4.120 nan 0.000 0.244 241 V C 0.000 176.099 176.094 0.008 0.000 1.182 241 V CA 0.000 62.304 62.300 0.006 0.000 1.235 241 V CB 0.000 31.826 31.823 0.006 0.000 1.184 242 P HA 0.512 nan 4.420 nan 0.000 0.271 242 P C -0.900 176.408 177.300 0.013 0.000 1.216 242 P CA -0.456 62.650 63.100 0.011 0.000 0.776 242 P CB 0.856 32.563 31.700 0.011 0.000 0.881 243 R N 0.819 121.327 120.500 0.014 0.000 2.540 243 R HA 0.597 4.939 4.340 0.003 0.000 0.287 243 R C 0.481 176.795 176.300 0.022 0.000 0.980 243 R CA -0.569 55.542 56.100 0.017 0.000 0.966 243 R CB 1.498 31.809 30.300 0.017 0.000 1.106 243 R HN 0.691 nan 8.270 nan 0.000 0.480 244 G N 0.516 109.332 108.800 0.026 0.000 2.377 244 G HA2 0.330 4.292 3.960 0.003 0.000 0.299 244 G HA3 0.330 4.292 3.960 0.003 0.000 0.299 244 G C -0.029 174.896 174.900 0.043 0.000 1.150 244 G CA -0.332 44.788 45.100 0.033 0.000 0.847 244 G HN 0.577 nan 8.290 nan 0.000 0.501 245 S N 0.788 116.517 115.700 0.049 0.000 2.693 245 S HA 0.719 5.191 4.470 0.003 0.000 0.276 245 S C 0.568 175.222 174.600 0.090 0.000 1.192 245 S CA -0.152 58.087 58.200 0.065 0.000 0.994 245 S CB 1.490 64.727 63.200 0.062 0.000 1.012 245 S HN 1.384 nan 8.310 nan 0.000 0.550 246 A N 1.260 124.156 122.820 0.127 0.000 2.488 246 A HA 0.327 4.649 4.320 0.003 0.000 0.249 246 A C 1.120 178.819 177.584 0.191 0.000 1.083 246 A CA -0.474 51.685 52.037 0.203 0.000 0.768 246 A CB 0.037 19.210 19.000 0.288 0.000 1.017 246 A HN 0.801 nan 8.150 nan 0.000 0.496 247 K N 2.162 122.644 120.400 0.136 0.000 2.242 247 K HA 0.085 4.407 4.320 0.003 0.000 0.200 247 K C 1.294 177.850 176.600 -0.073 0.000 1.050 247 K CA 0.932 57.244 56.287 0.041 0.000 0.981 247 K CB -0.188 32.322 32.500 0.017 0.000 0.795 247 K HN 1.594 nan 8.250 nan 0.000 0.477 248 G N 3.938 112.596 108.800 -0.237 0.000 2.323 248 G HA2 -0.240 3.722 3.960 0.003 0.000 0.292 248 G HA3 -0.240 3.722 3.960 0.003 0.000 0.292 248 G C -0.015 174.633 174.900 -0.420 0.000 1.040 248 G CA 0.924 45.526 45.100 -0.831 0.000 0.942 248 G HN 0.472 nan 8.290 nan 0.000 0.506 249 D N -1.813 118.455 120.400 -0.219 0.000 2.433 249 D HA 0.377 5.019 4.640 0.003 0.000 0.211 249 D C 1.788 178.041 176.300 -0.077 0.000 1.114 249 D CA 0.437 54.365 54.000 -0.120 0.000 0.837 249 D CB -0.347 40.414 40.800 -0.064 0.000 0.984 249 D HN 1.400 nan 8.370 nan 0.000 0.505 250 G N -0.313 108.436 108.800 -0.085 0.000 2.168 250 G HA2 -0.324 3.638 3.960 0.003 0.000 0.263 250 G HA3 -0.324 3.638 3.960 0.003 0.000 0.263 250 G C 0.834 175.739 174.900 0.008 0.000 0.977 250 G CA 0.770 45.862 45.100 -0.013 0.000 0.659 250 G HN 0.400 nan 8.290 nan 0.000 0.533 251 V N -0.686 119.228 119.914 -0.001 0.000 3.029 251 V HA 0.209 4.331 4.120 0.003 0.000 0.230 251 V C 1.681 177.784 176.094 0.014 0.000 1.254 251 V CA 1.348 63.653 62.300 0.008 0.000 1.276 251 V CB -0.150 31.675 31.823 0.004 0.000 1.080 251 V HN 0.292 nan 8.190 nan 0.000 0.495 252 T N 2.377 116.938 114.554 0.013 0.000 2.902 252 T HA 0.022 4.374 4.350 0.003 0.000 0.301 252 T C -0.114 174.611 174.700 0.042 0.000 1.012 252 T CA 0.467 62.582 62.100 0.025 0.000 1.151 252 T CB 0.220 69.104 68.868 0.025 0.000 0.946 252 T HN 0.348 nan 8.240 nan 0.000 0.542 253 D N 2.469 122.894 120.400 0.043 0.000 2.348 253 D HA 0.023 4.665 4.640 0.003 0.000 0.259 253 D C 0.349 176.690 176.300 0.068 0.000 1.296 253 D CA -0.357 53.675 54.000 0.052 0.000 0.931 253 D CB 0.400 41.222 40.800 0.038 0.000 1.067 253 D HN 0.329 nan 8.370 nan 0.000 0.503 254 D N 2.486 122.947 120.400 0.102 0.000 2.328 254 D HA -0.021 4.621 4.640 0.003 0.000 0.226 254 D C 1.431 177.793 176.300 0.102 0.000 1.066 254 D CA 0.223 54.304 54.000 0.135 0.000 0.861 254 D CB 0.447 41.400 40.800 0.254 0.000 0.912 254 D HN 0.415 nan 8.370 nan 0.000 0.521 255 T N 0.436 115.028 114.554 0.063 0.000 2.684 255 T HA -0.199 4.153 4.350 0.003 0.000 0.267 255 T C 2.066 176.781 174.700 0.025 0.000 1.036 255 T CA 1.608 63.722 62.100 0.025 0.000 1.148 255 T CB -0.079 68.787 68.868 -0.002 0.000 0.863 255 T HN 0.235 nan 8.240 nan 0.000 0.436 256 A N 1.516 124.354 122.820 0.029 0.000 1.877 256 A HA 0.134 4.456 4.320 0.003 0.000 0.216 256 A C 2.684 180.289 177.584 0.035 0.000 1.186 256 A CA 1.969 54.021 52.037 0.025 0.000 0.620 256 A CB -1.225 17.789 19.000 0.023 0.000 0.822 256 A HN 0.523 nan 8.150 nan 0.000 0.443 257 A N -0.375 122.477 122.820 0.053 0.000 1.902 257 A HA -0.039 4.283 4.320 0.003 0.000 0.217 257 A C 2.185 179.810 177.584 0.068 0.000 1.181 257 A CA 1.532 53.606 52.037 0.062 0.000 0.623 257 A CB -0.602 18.448 19.000 0.083 0.000 0.818 257 A HN 0.477 nan 8.150 nan 0.000 0.443 258 L N -0.904 120.369 121.223 0.083 0.000 2.093 258 L HA -0.139 4.203 4.340 0.003 0.000 0.208 258 L C 2.781 179.708 176.870 0.094 0.000 1.085 258 L CA 1.645 56.556 54.840 0.118 0.000 0.755 258 L CB -0.938 41.204 42.059 0.138 0.000 0.904 258 L HN 0.338 nan 8.230 nan 0.000 0.435 259 T N -1.185 113.398 114.554 0.048 0.000 2.684 259 T HA -0.233 4.119 4.350 0.003 0.000 0.267 259 T C 2.168 176.875 174.700 0.012 0.000 1.036 259 T CA 1.864 63.975 62.100 0.019 0.000 1.148 259 T CB -0.204 68.664 68.868 -0.001 0.000 0.863 259 T HN 0.264 nan 8.240 nan 0.000 0.436 260 S N 0.706 116.415 115.700 0.016 0.000 2.368 260 S HA -0.085 4.387 4.470 0.003 0.000 0.225 260 S C 2.396 176.998 174.600 0.003 0.000 1.030 260 S CA 1.350 59.556 58.200 0.009 0.000 0.999 260 S CB -0.565 62.644 63.200 0.015 0.000 0.844 260 S HN 0.523 nan 8.310 nan 0.000 0.459 261 A N 1.278 124.105 122.820 0.013 0.000 1.883 261 A HA -0.001 4.321 4.320 0.003 0.000 0.217 261 A C 2.207 179.767 177.584 -0.040 0.000 1.186 261 A CA 1.569 53.603 52.037 -0.005 0.000 0.624 261 A CB -0.845 18.164 19.000 0.015 0.000 0.822 261 A HN 0.571 nan 8.150 nan 0.000 0.444 262 L N -0.540 120.662 121.223 -0.035 0.000 2.093 262 L HA -0.201 4.141 4.340 0.003 0.000 0.208 262 L C 2.298 179.134 176.870 -0.056 0.000 1.085 262 L CA 1.620 56.417 54.840 -0.072 0.000 0.755 262 L CB -0.607 41.426 42.059 -0.044 0.000 0.904 262 L HN 0.495 nan 8.230 nan 0.000 0.435 263 N N -0.406 118.273 118.700 -0.034 0.000 2.244 263 N HA -0.164 4.578 4.740 0.003 0.000 0.183 263 N C 0.712 176.203 175.510 -0.031 0.000 1.016 263 N CA 1.002 54.033 53.050 -0.030 0.000 0.866 263 N CB 0.069 38.544 38.487 -0.020 0.000 0.980 263 N HN 0.300 nan 8.380 nan 0.000 0.430 264 D N -0.425 119.957 120.400 -0.030 0.000 2.349 264 D HA 0.065 4.707 4.640 0.003 0.000 0.214 264 D C -0.154 176.125 176.300 -0.035 0.000 1.063 264 D CA 0.583 54.567 54.000 -0.027 0.000 0.847 264 D CB 0.433 41.222 40.800 -0.018 0.000 0.933 264 D HN 0.050 nan 8.370 nan 0.000 0.513 265 T N 1.570 116.093 114.554 -0.051 0.000 2.855 265 T HA 0.439 4.791 4.350 0.003 0.000 0.281 265 T C -2.533 172.128 174.700 -0.064 0.000 1.007 265 T CA -1.550 60.513 62.100 -0.062 0.000 1.009 265 T CB 2.269 71.082 68.868 -0.091 0.000 0.983 265 T HN -0.220 nan 8.240 nan 0.000 0.455 266 P HA 0.069 nan 4.420 nan 0.000 0.266 266 P C 0.963 178.224 177.300 -0.066 0.000 1.195 266 P CA -0.219 62.850 63.100 -0.052 0.000 0.768 266 P CB 0.428 32.103 31.700 -0.042 0.000 0.838 267 V N 2.397 122.276 119.914 -0.060 0.000 2.720 267 V HA -0.144 3.977 4.120 0.003 0.000 0.256 267 V C 2.242 178.296 176.094 -0.067 0.000 1.082 267 V CA 2.398 64.657 62.300 -0.067 0.000 1.101 267 V CB -1.485 30.307 31.823 -0.053 0.000 0.693 267 V HN 0.825 nan 8.190 nan 0.000 0.479 268 G N -0.643 108.125 108.800 -0.053 0.000 2.712 268 G HA2 -0.064 3.898 3.960 0.003 0.000 0.212 268 G HA3 -0.064 3.898 3.960 0.003 0.000 0.212 268 G C 0.763 175.632 174.900 -0.051 0.000 1.142 268 G CA -0.081 44.991 45.100 -0.046 0.000 0.789 268 G HN 0.519 nan 8.290 nan 0.000 0.535 269 Q N 1.401 121.161 119.800 -0.066 0.000 2.311 269 Q HA 0.207 4.549 4.340 0.003 0.000 0.272 269 Q C -0.203 175.740 176.000 -0.094 0.000 1.012 269 Q CA 0.029 55.789 55.803 -0.071 0.000 0.891 269 Q CB 0.584 29.276 28.738 -0.077 0.000 1.201 269 Q HN -0.071 nan 8.270 nan 0.000 0.391 270 K N 5.278 125.637 120.400 -0.068 0.000 2.284 270 K HA 0.261 4.583 4.320 0.003 0.000 0.287 270 K C -0.459 176.092 176.600 -0.082 0.000 1.081 270 K CA -0.211 56.037 56.287 -0.066 0.000 0.910 270 K CB 0.358 32.849 32.500 -0.016 0.000 1.088 270 K HN 0.688 nan 8.250 nan 0.000 0.478 271 I N 3.008 123.474 120.570 -0.172 0.000 2.379 271 I HA -0.016 4.156 4.170 0.003 0.000 0.290 271 I C 0.799 176.922 176.117 0.010 0.000 1.063 271 I CA -0.293 60.906 61.300 -0.167 0.000 1.351 271 I CB 0.213 37.938 38.000 -0.458 0.000 1.410 271 I HN 0.340 nan 8.210 nan 0.000 0.505 272 N N 5.264 123.992 118.700 0.047 0.000 2.430 272 N HA 0.136 4.878 4.740 0.003 0.000 0.265 272 N C 0.831 176.426 175.510 0.141 0.000 1.100 272 N CA 0.037 53.148 53.050 0.101 0.000 0.961 272 N CB 1.818 40.349 38.487 0.074 0.000 1.075 272 N HN 0.761 nan 8.380 nan 0.000 0.478 273 G N 2.209 111.119 108.800 0.184 0.000 2.985 273 G HA2 -0.098 3.864 3.960 0.003 0.000 0.209 273 G HA3 -0.098 3.864 3.960 0.003 0.000 0.209 273 G C 0.417 175.496 174.900 0.298 0.000 1.165 273 G CA -0.285 44.950 45.100 0.225 0.000 0.776 273 G HN 0.788 nan 8.290 nan 0.000 0.541 274 N N -0.517 118.302 118.700 0.197 0.000 2.725 274 N HA -0.209 4.533 4.740 0.003 0.000 0.249 274 N C 1.503 177.099 175.510 0.144 0.000 1.103 274 N CA 1.575 54.712 53.050 0.145 0.000 0.707 274 N CB -1.453 37.110 38.487 0.127 0.000 1.043 274 N HN 1.029 nan 8.380 nan 0.000 0.553 275 G N -1.231 107.694 108.800 0.208 0.000 2.168 275 G HA2 -0.385 3.577 3.960 0.003 0.000 0.263 275 G HA3 -0.385 3.577 3.960 0.003 0.000 0.263 275 G C 0.179 175.274 174.900 0.325 0.000 0.977 275 G CA 1.164 46.408 45.100 0.239 0.000 0.659 275 G HN 0.590 nan 8.290 nan 0.000 0.533 276 K N 0.003 120.532 120.400 0.216 0.000 2.098 276 K HA 0.608 4.930 4.320 0.003 0.000 0.244 276 K C -0.017 176.502 176.600 -0.135 0.000 1.014 276 K CA -0.225 56.044 56.287 -0.030 0.000 0.917 276 K CB 0.856 33.190 32.500 -0.277 0.000 1.072 276 K HN 0.060 nan 8.250 nan 0.000 0.477 277 T N 1.590 115.964 114.554 -0.300 0.000 2.771 277 T HA 0.345 4.697 4.350 0.003 0.000 0.281 277 T C -1.161 173.304 174.700 -0.391 0.000 0.982 277 T CA -0.537 61.425 62.100 -0.229 0.000 0.978 277 T CB 0.161 69.008 68.868 -0.034 0.000 0.930 277 T HN 0.272 nan 8.240 nan 0.000 0.447 278 Y N 1.853 122.078 120.300 -0.126 0.000 2.328 278 Y HA 0.414 4.966 4.550 0.003 0.000 0.336 278 Y C 0.577 176.512 175.900 0.058 0.000 0.960 278 Y CA -1.041 57.036 58.100 -0.038 0.000 1.134 278 Y CB 1.321 39.736 38.460 -0.074 0.000 1.166 278 Y HN 0.405 nan 8.280 nan 0.000 0.464 279 K N 3.894 124.385 120.400 0.152 0.000 2.322 279 K HA 0.517 4.839 4.320 0.003 0.000 0.283 279 K C -0.817 175.866 176.600 0.139 0.000 1.042 279 K CA -0.319 56.041 56.287 0.122 0.000 0.958 279 K CB 0.502 33.040 32.500 0.063 0.000 0.984 279 K HN 0.602 nan 8.250 nan 0.000 0.473 280 V N 0.354 120.338 119.914 0.117 0.000 3.078 280 V HA 0.357 4.479 4.120 0.003 0.000 0.311 280 V C 0.651 176.777 176.094 0.053 0.000 1.138 280 V CA -0.483 61.843 62.300 0.042 0.000 1.007 280 V CB 1.409 33.187 31.823 -0.075 0.000 1.045 280 V HN 0.881 nan 8.190 nan 0.000 0.432 281 T N -1.273 113.284 114.554 0.005 0.000 3.067 281 T HA 0.294 4.646 4.350 0.003 0.000 0.257 281 T C 0.696 175.399 174.700 0.007 0.000 1.105 281 T CA 0.741 62.875 62.100 0.057 0.000 1.104 281 T CB -0.350 68.533 68.868 0.024 0.000 0.925 281 T HN 1.692 nan 8.240 nan 0.000 0.498 282 S N 0.139 115.675 115.700 -0.273 0.000 2.570 282 S HA 0.619 5.091 4.470 0.003 0.000 0.270 282 S C -0.977 173.152 174.600 -0.784 0.000 1.149 282 S CA -1.213 56.601 58.200 -0.643 0.000 0.837 282 S CB 0.992 63.983 63.200 -0.348 0.000 1.124 282 S HN 0.265 nan 8.310 nan 0.000 0.465 283 L N 2.754 123.352 121.223 -1.042 0.000 2.462 283 L HA 0.356 4.697 4.340 0.003 0.000 0.272 283 L C -1.475 175.012 176.870 -0.638 0.000 1.166 283 L CA -1.247 53.052 54.840 -0.901 0.000 0.880 283 L CB 0.000 41.526 42.059 -0.888 0.000 1.142 283 L HN 0.621 nan 8.230 nan 0.000 0.473 284 P HA 0.058 nan 4.420 nan 0.000 0.312 284 P C -0.789 176.346 177.300 -0.276 0.000 1.308 284 P CA -0.537 62.329 63.100 -0.390 0.000 0.743 284 P CB 0.486 31.993 31.700 -0.322 0.000 1.364 285 D N -0.236 120.120 120.400 -0.073 0.000 2.441 285 D HA 0.064 4.705 4.640 0.003 0.000 0.243 285 D C 1.282 177.667 176.300 0.142 0.000 1.257 285 D CA 0.045 54.040 54.000 -0.009 0.000 1.027 285 D CB -0.908 39.888 40.800 -0.006 0.000 1.084 285 D HN 0.155 nan 8.370 nan 0.000 0.514 286 I N 1.519 122.116 120.570 0.045 0.000 2.335 286 I HA -0.305 3.867 4.170 0.003 0.000 0.251 286 I C 2.346 178.638 176.117 0.292 0.000 1.129 286 I CA 0.994 62.410 61.300 0.194 0.000 1.402 286 I CB -0.252 37.778 38.000 0.050 0.000 1.069 286 I HN 0.341 nan 8.210 nan 0.000 0.424 287 S N 1.009 116.793 115.700 0.139 0.000 2.442 287 S HA -0.153 4.319 4.470 0.003 0.000 0.236 287 S C 1.917 176.563 174.600 0.076 0.000 1.007 287 S CA 0.793 59.048 58.200 0.093 0.000 0.965 287 S CB -0.401 62.816 63.200 0.028 0.000 0.773 287 S HN 0.472 nan 8.310 nan 0.000 0.504 288 R N -0.465 120.068 120.500 0.055 0.000 2.317 288 R HA 0.336 4.678 4.340 0.003 0.000 0.208 288 R C -0.744 175.398 176.300 -0.264 0.000 0.914 288 R CA 0.008 56.027 56.100 -0.135 0.000 1.060 288 R CB 0.047 30.193 30.300 -0.257 0.000 1.015 288 R HN 0.400 nan 8.270 nan 0.000 0.498 289 F N 1.054 121.038 119.950 0.057 0.000 2.458 289 F HA 0.456 4.985 4.527 0.003 0.000 0.330 289 F C 0.463 176.302 175.800 0.065 0.000 1.082 289 F CA -1.395 56.642 58.000 0.062 0.000 0.995 289 F CB 1.230 40.298 39.000 0.113 0.000 1.170 289 F HN -0.187 nan 8.300 nan 0.000 0.478 290 I N -0.496 120.216 120.570 0.237 0.000 2.740 290 I HA 0.589 4.760 4.170 0.003 0.000 0.303 290 I C -0.039 176.205 176.117 0.212 0.000 1.044 290 I CA -1.187 60.228 61.300 0.192 0.000 1.064 290 I CB 1.822 39.894 38.000 0.119 0.000 1.249 290 I HN 0.657 nan 8.210 nan 0.000 0.433 291 N N 1.762 120.603 118.700 0.234 0.000 2.740 291 N HA -0.164 4.578 4.740 0.003 0.000 0.248 291 N C -1.166 174.577 175.510 0.389 0.000 1.062 291 N CA 1.280 54.503 53.050 0.288 0.000 0.704 291 N CB -0.889 37.696 38.487 0.163 0.000 0.968 291 N HN 0.967 nan 8.380 nan 0.000 0.547 292 T N 0.498 115.226 114.554 0.289 0.000 2.893 292 T HA 0.487 4.839 4.350 0.003 0.000 0.293 292 T C -0.234 174.139 174.700 -0.546 0.000 1.027 292 T CA -0.720 61.334 62.100 -0.078 0.000 0.988 292 T CB 2.189 70.845 68.868 -0.354 0.000 1.043 292 T HN 0.321 nan 8.240 nan 0.000 0.461 293 R N 1.669 121.697 120.500 -0.787 0.000 2.599 293 R HA 0.673 5.015 4.340 0.003 0.000 0.295 293 R C -1.543 174.401 176.300 -0.593 0.000 0.963 293 R CA -0.659 54.918 56.100 -0.873 0.000 0.883 293 R CB 0.890 30.488 30.300 -1.170 0.000 1.171 293 R HN 0.476 nan 8.270 nan 0.000 0.450 294 F N 2.550 122.466 119.950 -0.057 0.000 2.450 294 F HA 0.463 4.992 4.527 0.003 0.000 0.332 294 F C -0.068 175.783 175.800 0.084 0.000 1.093 294 F CA -0.826 57.183 58.000 0.015 0.000 1.003 294 F CB 1.969 40.926 39.000 -0.071 0.000 1.151 294 F HN 0.096 nan 8.300 nan 0.000 0.474 295 V N 4.922 124.949 119.914 0.189 0.000 2.417 295 V HA 0.549 4.670 4.120 0.003 0.000 0.291 295 V C -1.867 174.288 176.094 0.102 0.000 1.024 295 V CA -0.658 61.602 62.300 -0.067 0.000 0.861 295 V CB 1.427 33.044 31.823 -0.344 0.000 0.985 295 V HN 0.734 nan 8.190 nan 0.000 0.436 296 Y N 4.378 124.654 120.300 -0.041 0.000 2.441 296 Y HA 0.542 5.094 4.550 0.003 0.000 0.334 296 Y C -0.330 175.564 175.900 -0.009 0.000 1.061 296 Y CA -0.643 57.438 58.100 -0.031 0.000 1.032 296 Y CB 2.044 40.432 38.460 -0.120 0.000 1.266 296 Y HN 0.672 nan 8.280 nan 0.000 0.441 297 E N 6.555 126.511 120.200 -0.407 0.000 2.079 297 E HA 0.183 4.535 4.350 0.003 0.000 0.252 297 E C 0.700 176.836 176.600 -0.773 0.000 0.992 297 E CA -0.403 55.714 56.400 -0.472 0.000 0.829 297 E CB 0.949 30.516 29.700 -0.222 0.000 1.158 297 E HN 0.681 nan 8.360 nan 0.000 0.435 298 R N 2.483 122.325 120.500 -1.096 0.000 2.091 298 R HA -0.089 4.253 4.340 0.003 0.000 0.238 298 R C 0.468 176.600 176.300 -0.280 0.000 1.136 298 R CA 1.072 56.735 56.100 -0.728 0.000 0.959 298 R CB 0.299 30.382 30.300 -0.363 0.000 0.856 298 R HN 0.335 nan 8.270 nan 0.000 0.437 299 I N 2.475 122.908 120.570 -0.229 0.000 2.339 299 I HA 0.315 4.487 4.170 0.003 0.000 0.290 299 I C -2.295 173.727 176.117 -0.159 0.000 0.994 299 I CA -3.323 57.891 61.300 -0.144 0.000 1.191 299 I CB 1.125 39.060 38.000 -0.108 0.000 1.343 299 I HN -0.090 nan 8.210 nan 0.000 0.458 300 P HA 0.143 nan 4.420 nan 0.000 0.262 300 P C 0.896 178.136 177.300 -0.099 0.000 1.182 300 P CA 0.764 63.806 63.100 -0.096 0.000 0.761 300 P CB 0.575 32.240 31.700 -0.058 0.000 0.795 301 G N 2.416 111.159 108.800 -0.096 0.000 2.175 301 G HA2 -0.253 3.709 3.960 0.003 0.000 0.244 301 G HA3 -0.253 3.709 3.960 0.003 0.000 0.244 301 G C 0.072 174.860 174.900 -0.188 0.000 0.982 301 G CA -0.304 44.746 45.100 -0.083 0.000 0.641 301 G HN 0.594 nan 8.290 nan 0.000 0.527 302 Q N 0.981 120.630 119.800 -0.252 0.000 2.965 302 Q HA 0.275 4.617 4.340 0.003 0.000 0.288 302 Q C -2.702 173.175 176.000 -0.206 0.000 0.974 302 Q CA -1.739 53.843 55.803 -0.369 0.000 0.849 302 Q CB 2.305 30.786 28.738 -0.429 0.000 1.280 302 Q HN 0.349 nan 8.270 nan 0.000 0.441 303 P HA 0.096 nan 4.420 nan 0.000 0.271 303 P C -0.613 176.600 177.300 -0.145 0.000 1.220 303 P CA 0.289 63.289 63.100 -0.167 0.000 0.768 303 P CB 1.043 32.648 31.700 -0.158 0.000 0.848 304 L N 3.169 124.280 121.223 -0.188 0.000 2.327 304 L HA 0.525 4.867 4.340 0.003 0.000 0.258 304 L C -0.405 176.288 176.870 -0.295 0.000 1.024 304 L CA -1.124 53.634 54.840 -0.138 0.000 0.825 304 L CB 1.497 43.498 42.059 -0.097 0.000 1.386 304 L HN 0.278 nan 8.230 nan 0.000 0.417 305 Y N -0.225 119.971 120.300 -0.173 0.000 2.468 305 Y HA 0.584 5.136 4.550 0.003 0.000 0.342 305 Y C -1.069 174.605 175.900 -0.376 0.000 1.021 305 Y CA -0.680 57.355 58.100 -0.109 0.000 1.079 305 Y CB 1.652 40.046 38.460 -0.109 0.000 1.226 305 Y HN 0.210 nan 8.280 nan 0.000 0.460 306 Y N 0.656 121.053 120.300 0.162 0.000 2.354 306 Y HA 0.670 5.222 4.550 0.003 0.000 0.330 306 Y C -0.288 175.639 175.900 0.046 0.000 1.011 306 Y CA -1.289 56.875 58.100 0.107 0.000 1.099 306 Y CB 1.761 40.299 38.460 0.130 0.000 1.179 306 Y HN 0.693 nan 8.280 nan 0.000 0.442 307 A N 2.367 125.258 122.820 0.118 0.000 2.274 307 A HA 0.603 4.925 4.320 0.003 0.000 0.309 307 A C 0.270 177.942 177.584 0.147 0.000 1.226 307 A CA -0.522 51.542 52.037 0.045 0.000 0.853 307 A CB 0.265 19.353 19.000 0.147 0.000 1.146 307 A HN 0.764 nan 8.150 nan 0.000 0.518 308 S N 2.573 118.352 115.700 0.132 0.000 2.617 308 S HA 0.268 4.739 4.470 0.003 0.000 0.259 308 S C 0.088 174.820 174.600 0.219 0.000 1.301 308 S CA -0.537 57.788 58.200 0.208 0.000 0.984 308 S CB 0.274 63.613 63.200 0.232 0.000 0.954 308 S HN 0.666 nan 8.310 nan 0.000 0.572 309 E N 0.971 121.287 120.200 0.194 0.000 2.442 309 E HA 0.051 4.403 4.350 0.003 0.000 0.262 309 E C 0.710 177.421 176.600 0.185 0.000 1.004 309 E CA 0.589 57.092 56.400 0.171 0.000 0.928 309 E CB 0.004 29.778 29.700 0.125 0.000 0.937 309 E HN 0.839 nan 8.360 nan 0.000 0.446 310 E N -0.126 120.174 120.200 0.166 0.000 3.916 310 E HA -0.311 4.040 4.350 0.003 0.000 0.331 310 E C 0.811 177.503 176.600 0.152 0.000 0.729 310 E CA 0.815 57.295 56.400 0.133 0.000 1.222 310 E CB -1.466 28.295 29.700 0.101 0.000 1.633 310 E HN 0.538 nan 8.360 nan 0.000 0.437 311 F N 1.307 121.306 119.950 0.083 0.000 2.134 311 F HA -0.037 4.492 4.527 0.003 0.000 0.299 311 F C 1.023 176.869 175.800 0.077 0.000 1.097 311 F CA 1.295 59.338 58.000 0.072 0.000 1.264 311 F CB 0.464 39.506 39.000 0.070 0.000 1.001 311 F HN -0.141 nan 8.300 nan 0.000 0.479 312 V N 1.506 121.529 119.914 0.182 0.000 2.547 312 V HA 0.209 4.331 4.120 0.003 0.000 0.299 312 V C -0.362 175.786 176.094 0.091 0.000 1.040 312 V CA -0.867 61.496 62.300 0.105 0.000 0.913 312 V CB 1.608 33.564 31.823 0.222 0.000 0.992 312 V HN 0.001 nan 8.190 nan 0.000 0.449 313 Q N 2.852 122.675 119.800 0.038 0.000 2.402 313 Q HA 0.547 4.889 4.340 0.003 0.000 0.238 313 Q C 0.288 176.337 176.000 0.082 0.000 1.126 313 Q CA 0.003 55.837 55.803 0.051 0.000 0.904 313 Q CB 1.017 29.767 28.738 0.020 0.000 1.357 313 Q HN 0.953 nan 8.270 nan 0.000 0.491 314 G N 1.823 110.670 108.800 0.079 0.000 2.623 314 G HA2 0.505 4.466 3.960 0.003 0.000 0.290 314 G HA3 0.505 4.466 3.960 0.003 0.000 0.290 314 G C -1.832 172.942 174.900 -0.209 0.000 1.437 314 G CA -0.478 44.593 45.100 -0.048 0.000 0.798 314 G HN 0.410 nan 8.290 nan 0.000 0.488 315 E N -0.582 119.255 120.200 -0.606 0.000 2.363 315 E HA 0.461 4.813 4.350 0.003 0.000 0.281 315 E C -1.853 174.431 176.600 -0.527 0.000 0.953 315 E CA -0.784 55.359 56.400 -0.428 0.000 0.778 315 E CB 2.508 32.036 29.700 -0.286 0.000 1.220 315 E HN 0.479 nan 8.360 nan 0.000 0.431 316 L N 4.315 125.396 121.223 -0.236 0.000 2.312 316 L HA 0.570 4.912 4.340 0.003 0.000 0.281 316 L C -1.584 175.197 176.870 -0.147 0.000 1.070 316 L CA 0.188 55.051 54.840 0.039 0.000 0.805 316 L CB 0.484 42.676 42.059 0.221 0.000 1.174 316 L HN 0.494 nan 8.230 nan 0.000 0.434 317 F N 3.501 123.485 119.950 0.056 0.000 2.508 317 F HA 0.482 5.011 4.527 0.003 0.000 0.325 317 F C 0.039 175.807 175.800 -0.054 0.000 1.090 317 F CA -0.768 57.236 58.000 0.008 0.000 0.945 317 F CB 1.619 40.630 39.000 0.019 0.000 1.156 317 F HN 0.341 nan 8.300 nan 0.000 0.463 318 K N 3.554 123.960 120.400 0.010 0.000 2.227 318 K HA 0.434 4.756 4.320 0.003 0.000 0.280 318 K C 0.435 176.777 176.600 -0.429 0.000 1.041 318 K CA -0.243 55.787 56.287 -0.428 0.000 0.905 318 K CB 0.705 32.967 32.500 -0.396 0.000 1.068 318 K HN 0.824 nan 8.250 nan 0.000 0.470 319 I N 0.015 120.169 120.570 -0.694 0.000 4.323 319 I HA 0.170 4.342 4.170 0.003 0.000 0.328 319 I C 0.072 175.857 176.117 -0.553 0.000 1.310 319 I CA -0.368 60.465 61.300 -0.779 0.000 1.186 319 I CB 0.943 38.006 38.000 -1.561 0.000 1.130 319 I HN 0.471 nan 8.210 nan 0.000 0.411 320 T N -1.804 112.421 114.554 -0.549 0.000 2.916 320 T HA 0.574 4.926 4.350 0.003 0.000 0.292 320 T C -1.003 173.511 174.700 -0.311 0.000 1.055 320 T CA -0.443 61.437 62.100 -0.368 0.000 1.009 320 T CB 2.541 71.165 68.868 -0.406 0.000 1.118 320 T HN 0.126 nan 8.240 nan 0.000 0.497 321 D N 0.843 121.143 120.400 -0.166 0.000 2.668 321 D HA 0.342 4.984 4.640 0.003 0.000 0.247 321 D C -1.133 175.153 176.300 -0.024 0.000 1.268 321 D CA -0.055 53.879 54.000 -0.111 0.000 0.842 321 D CB 0.744 41.487 40.800 -0.096 0.000 1.399 321 D HN 0.648 nan 8.370 nan 0.000 0.530 322 T N 1.560 116.119 114.554 0.007 0.000 2.906 322 T HA 0.434 4.786 4.350 0.003 0.000 0.295 322 T C -2.004 172.738 174.700 0.070 0.000 1.061 322 T CA -1.423 60.738 62.100 0.101 0.000 1.000 322 T CB 2.347 71.343 68.868 0.213 0.000 1.103 322 T HN -0.080 nan 8.240 nan 0.000 0.486 323 P HA 0.073 nan 4.420 nan 0.000 0.233 323 P C -0.108 177.114 177.300 -0.130 0.000 1.167 323 P CA 0.468 63.486 63.100 -0.137 0.000 0.770 323 P CB -0.074 31.449 31.700 -0.295 0.000 0.837 324 Y N -1.289 119.060 120.300 0.081 0.000 2.459 324 Y HA -0.013 4.539 4.550 0.003 0.000 0.349 324 Y C 1.011 177.044 175.900 0.222 0.000 1.266 324 Y CA -0.282 57.930 58.100 0.187 0.000 1.483 324 Y CB -0.122 38.498 38.460 0.267 0.000 1.362 324 Y HN -0.097 nan 8.280 nan 0.000 0.628 325 Y N 3.571 124.036 120.300 0.275 0.000 2.640 325 Y HA 0.075 4.627 4.550 0.003 0.000 0.355 325 Y C -0.478 175.526 175.900 0.174 0.000 1.088 325 Y CA -0.706 57.468 58.100 0.124 0.000 1.443 325 Y CB -0.411 38.035 38.460 -0.023 0.000 1.224 325 Y HN 0.492 nan 8.280 nan 0.000 0.516 326 N N 5.586 124.412 118.700 0.210 0.000 2.457 326 N HA 0.589 5.331 4.740 0.003 0.000 0.250 326 N C -0.800 174.665 175.510 -0.076 0.000 0.982 326 N CA -0.055 53.102 53.050 0.178 0.000 0.941 326 N CB 1.612 40.087 38.487 -0.020 0.000 1.120 326 N HN 0.683 nan 8.380 nan 0.000 0.505 327 A N 1.009 123.811 122.820 -0.031 0.000 2.524 327 A HA 0.623 4.945 4.320 0.003 0.000 0.303 327 A C -1.297 176.259 177.584 -0.047 0.000 1.195 327 A CA -0.743 51.018 52.037 -0.461 0.000 0.651 327 A CB 0.630 18.831 19.000 -1.331 0.000 1.323 327 A HN 0.598 nan 8.150 nan 0.000 0.479 328 W N -2.423 118.982 121.300 0.176 0.000 6.199 328 W HA -0.111 4.550 4.660 0.003 0.000 0.416 328 W C -2.259 174.373 176.519 0.189 0.000 1.636 328 W CA 0.227 57.677 57.345 0.175 0.000 1.040 328 W CB -2.273 27.276 29.460 0.147 0.000 2.854 328 W HN 0.536 nan 8.180 nan 0.000 1.467 329 P HA -0.182 nan 4.420 nan 0.000 0.221 329 P C 1.139 178.598 177.300 0.266 0.000 1.145 329 P CA 1.781 65.037 63.100 0.261 0.000 0.795 329 P CB 0.134 31.926 31.700 0.154 0.000 0.775 330 Q N 0.886 120.875 119.800 0.316 0.000 2.308 330 Q HA -0.028 4.314 4.340 0.003 0.000 0.313 330 Q C -0.435 175.661 176.000 0.159 0.000 1.075 330 Q CA 0.315 56.303 55.803 0.308 0.000 0.995 330 Q CB -0.202 28.855 28.738 0.533 0.000 1.107 330 Q HN -0.049 nan 8.270 nan 0.000 0.380 331 D N 2.545 122.894 120.400 -0.085 0.000 2.432 331 D HA 0.222 4.864 4.640 0.003 0.000 0.265 331 D C -0.512 175.832 176.300 0.072 0.000 1.160 331 D CA -0.514 53.473 54.000 -0.021 0.000 0.911 331 D CB 0.578 41.266 40.800 -0.187 0.000 1.052 331 D HN 0.638 nan 8.370 nan 0.000 0.508 332 K N 0.799 121.291 120.400 0.152 0.000 2.450 332 K HA 0.361 4.683 4.320 0.003 0.000 0.206 332 K C 0.586 177.356 176.600 0.284 0.000 1.148 332 K CA -0.399 56.003 56.287 0.193 0.000 1.014 332 K CB 1.242 33.865 32.500 0.204 0.000 0.966 332 K HN 0.295 nan 8.250 nan 0.000 0.566 333 A N 1.833 124.791 122.820 0.231 0.000 2.445 333 A HA 0.458 4.780 4.320 0.003 0.000 0.242 333 A C -0.159 177.578 177.584 0.255 0.000 1.075 333 A CA 0.153 52.294 52.037 0.173 0.000 0.777 333 A CB -0.287 18.791 19.000 0.130 0.000 1.013 333 A HN 0.288 nan 8.150 nan 0.000 0.493 334 F N -0.994 119.006 119.950 0.083 0.000 2.713 334 F HA 0.651 5.180 4.527 0.004 0.000 0.311 334 F C -1.225 174.637 175.800 0.104 0.000 1.141 334 F CA -1.327 56.708 58.000 0.058 0.000 0.939 334 F CB 0.994 39.971 39.000 -0.040 0.000 1.325 334 F HN 0.340 nan 8.300 nan 0.000 0.453 335 V N 2.026 122.105 119.914 0.274 0.000 2.459 335 V HA 0.501 4.623 4.120 0.003 0.000 0.295 335 V C -1.654 174.682 176.094 0.403 0.000 1.029 335 V CA -0.690 61.731 62.300 0.202 0.000 0.874 335 V CB 1.531 33.413 31.823 0.098 0.000 0.985 335 V HN 0.804 nan 8.190 nan 0.000 0.438 336 Y N 2.502 122.947 120.300 0.242 0.000 2.361 336 Y HA 0.394 4.945 4.550 0.003 0.000 0.328 336 Y C 0.372 176.348 175.900 0.126 0.000 1.044 336 Y CA -0.909 57.308 58.100 0.195 0.000 1.085 336 Y CB 1.454 40.030 38.460 0.192 0.000 1.194 336 Y HN 0.876 nan 8.280 nan 0.000 0.438 337 E N 4.914 124.859 120.200 -0.425 0.000 2.197 337 E HA -0.407 3.945 4.350 0.003 0.000 0.184 337 E C 0.106 176.622 176.600 -0.139 0.000 1.439 337 E CA 1.216 57.410 56.400 -0.344 0.000 0.688 337 E CB -1.005 28.389 29.700 -0.510 0.000 1.090 337 E HN 0.960 nan 8.360 nan 0.000 0.341 338 N N -2.407 116.233 118.700 -0.100 0.000 2.936 338 N HA -0.201 4.541 4.740 0.003 0.000 0.236 338 N C -0.618 174.797 175.510 -0.157 0.000 0.930 338 N CA 1.229 54.218 53.050 -0.103 0.000 0.966 338 N CB -0.290 38.141 38.487 -0.095 0.000 1.090 338 N HN 0.184 nan 8.380 nan 0.000 0.592 339 V N 1.574 121.400 119.914 -0.146 0.000 2.427 339 V HA 0.442 4.564 4.120 0.003 0.000 0.286 339 V C 0.468 176.342 176.094 -0.367 0.000 1.034 339 V CA -0.551 61.555 62.300 -0.323 0.000 0.893 339 V CB 1.585 33.172 31.823 -0.393 0.000 0.982 339 V HN 0.087 nan 8.190 nan 0.000 0.452 340 I N 5.104 125.335 120.570 -0.566 0.000 2.325 340 I HA 0.333 4.505 4.170 0.003 0.000 0.291 340 I C -0.934 174.799 176.117 -0.641 0.000 1.019 340 I CA -0.288 60.702 61.300 -0.516 0.000 1.302 340 I CB 0.615 38.245 38.000 -0.617 0.000 1.401 340 I HN 0.493 nan 8.210 nan 0.000 0.485 341 Y N 4.655 124.564 120.300 -0.651 0.000 2.331 341 Y HA 0.561 5.113 4.550 0.004 0.000 0.338 341 Y C 0.398 176.060 175.900 -0.397 0.000 0.992 341 Y CA -0.828 56.802 58.100 -0.783 0.000 1.121 341 Y CB 1.807 39.268 38.460 -1.665 0.000 1.184 341 Y HN 0.580 nan 8.280 nan 0.000 0.469 342 A N 6.184 129.017 122.820 0.021 0.000 2.786 342 A HA 0.561 4.883 4.320 0.003 0.000 0.346 342 A C -2.896 174.883 177.584 0.326 0.000 1.265 342 A CA -1.762 50.349 52.037 0.123 0.000 0.858 342 A CB -0.257 18.738 19.000 -0.008 0.000 1.118 342 A HN 0.385 nan 8.150 nan 0.000 0.482 343 P HA 0.496 nan 4.420 nan 0.000 0.274 343 P C -0.705 176.862 177.300 0.445 0.000 1.231 343 P CA 0.163 63.549 63.100 0.476 0.000 0.790 343 P CB 0.374 32.348 31.700 0.456 0.000 0.951 344 Y N -1.707 118.716 120.300 0.204 0.000 2.871 344 Y HA 0.694 5.246 4.550 0.003 0.000 0.331 344 Y C -1.485 174.530 175.900 0.192 0.000 1.378 344 Y CA -1.435 56.780 58.100 0.191 0.000 1.079 344 Y CB 0.858 39.407 38.460 0.149 0.000 1.441 344 Y HN 0.064 nan 8.280 nan 0.000 0.446 345 M N 1.705 121.520 119.600 0.359 0.000 2.243 345 M HA 0.562 5.043 4.480 0.003 0.000 0.324 345 M C -0.413 176.147 176.300 0.433 0.000 1.031 345 M CA -0.764 54.661 55.300 0.210 0.000 0.949 345 M CB 2.263 34.971 32.600 0.181 0.000 1.615 345 M HN 0.926 nan 8.290 nan 0.000 0.430 346 G N 1.749 110.643 108.800 0.156 0.000 2.415 346 G HA2 0.590 4.552 3.960 0.003 0.000 0.317 346 G HA3 0.590 4.552 3.960 0.003 0.000 0.317 346 G C -0.334 174.631 174.900 0.109 0.000 1.152 346 G CA -0.287 44.973 45.100 0.267 0.000 0.956 346 G HN 0.773 nan 8.290 nan 0.000 0.458 347 S N 0.713 116.602 115.700 0.315 0.000 3.081 347 S HA 0.630 5.102 4.470 0.003 0.000 0.316 347 S C 0.219 174.994 174.600 0.291 0.000 1.089 347 S CA 0.034 58.364 58.200 0.215 0.000 0.897 347 S CB 1.901 65.178 63.200 0.129 0.000 1.358 347 S HN 0.411 nan 8.310 nan 0.000 0.678 348 D N -0.630 119.830 120.400 0.101 0.000 2.469 348 D HA 0.253 4.894 4.640 0.003 0.000 0.213 348 D C 0.486 176.611 176.300 -0.291 0.000 1.135 348 D CA -0.280 53.638 54.000 -0.138 0.000 0.834 348 D CB 0.032 40.863 40.800 0.052 0.000 1.009 348 D HN 0.790 nan 8.370 nan 0.000 0.507 349 R N -1.855 118.515 120.500 -0.217 0.000 2.780 349 R HA 0.212 4.553 4.340 0.003 0.000 0.280 349 R C -1.498 174.635 176.300 -0.278 0.000 1.016 349 R CA -0.823 55.103 56.100 -0.290 0.000 0.854 349 R CB -0.183 30.060 30.300 -0.096 0.000 1.293 349 R HN -0.111 nan 8.270 nan 0.000 0.483 350 H N 0.055 118.953 119.070 -0.286 0.000 3.330 350 H HA 0.521 5.078 4.556 0.003 0.000 0.260 350 H C -0.217 174.993 175.328 -0.197 0.000 1.439 350 H CA 1.393 57.357 56.048 -0.141 0.000 1.540 350 H CB -0.277 29.513 29.762 0.046 0.000 1.698 350 H HN 0.895 nan 8.280 nan 0.000 0.516 351 G N 1.474 110.130 108.800 -0.239 0.000 2.324 351 G HA2 0.110 4.072 3.960 0.003 0.000 0.293 351 G HA3 0.110 4.072 3.960 0.003 0.000 0.293 351 G C 0.131 174.915 174.900 -0.193 0.000 1.297 351 G CA -0.202 44.742 45.100 -0.259 0.000 0.853 351 G HN 0.593 nan 8.290 nan 0.000 0.535 352 V N -1.990 117.831 119.914 -0.155 0.000 3.647 352 V HA 0.478 4.600 4.120 0.003 0.000 0.279 352 V C 1.273 177.353 176.094 -0.023 0.000 1.314 352 V CA 0.968 63.211 62.300 -0.095 0.000 1.125 352 V CB 0.053 31.813 31.823 -0.104 0.000 0.907 352 V HN 1.244 nan 8.190 nan 0.000 0.434 353 S N 1.539 117.227 115.700 -0.019 0.000 2.546 353 S HA 0.234 4.706 4.470 0.003 0.000 0.290 353 S C 1.133 175.803 174.600 0.117 0.000 1.290 353 S CA 0.435 58.681 58.200 0.077 0.000 1.069 353 S CB -0.372 62.846 63.200 0.029 0.000 0.846 353 S HN 0.731 nan 8.310 nan 0.000 0.495 354 R N 0.498 121.119 120.500 0.202 0.000 3.946 354 R HA -0.200 4.142 4.340 0.003 0.000 0.329 354 R C -0.053 176.146 176.300 -0.168 0.000 1.209 354 R CA 0.836 56.964 56.100 0.047 0.000 0.909 354 R CB -2.092 28.345 30.300 0.228 0.000 1.355 354 R HN 0.692 nan 8.270 nan 0.000 0.539 355 L N 1.959 123.051 121.223 -0.218 0.000 2.331 355 L HA 0.208 4.550 4.340 0.003 0.000 0.278 355 L C 0.154 176.668 176.870 -0.594 0.000 1.106 355 L CA -0.234 54.439 54.840 -0.278 0.000 0.824 355 L CB 0.500 42.475 42.059 -0.139 0.000 1.142 355 L HN 0.057 nan 8.230 nan 0.000 0.443 356 H N 4.416 123.225 119.070 -0.435 0.000 2.547 356 H HA 0.252 4.810 4.556 0.003 0.000 0.342 356 H C -0.649 174.476 175.328 -0.337 0.000 1.048 356 H CA -0.746 55.001 56.048 -0.501 0.000 1.204 356 H CB 1.946 31.090 29.762 -1.030 0.000 1.493 356 H HN 0.348 nan 8.280 nan 0.000 0.511 357 V N 3.494 123.308 119.914 -0.167 0.000 2.540 357 V HA 0.037 4.159 4.120 0.003 0.000 0.297 357 V C 0.537 176.516 176.094 -0.192 0.000 1.024 357 V CA 0.541 62.727 62.300 -0.190 0.000 1.105 357 V CB 0.403 32.097 31.823 -0.215 0.000 0.938 357 V HN 0.736 nan 8.190 nan 0.000 0.482 358 S N 3.465 118.970 115.700 -0.326 0.000 2.661 358 S HA 0.857 5.329 4.470 0.003 0.000 0.285 358 S C -1.207 173.264 174.600 -0.216 0.000 1.138 358 S CA -0.689 57.299 58.200 -0.353 0.000 0.855 358 S CB 2.173 64.984 63.200 -0.648 0.000 1.136 358 S HN 0.878 nan 8.310 nan 0.000 0.484 359 W N 0.481 121.784 121.300 0.006 0.000 3.118 359 W HA 0.784 5.446 4.660 0.003 0.000 0.328 359 W C -1.485 175.201 176.519 0.278 0.000 1.239 359 W CA -1.473 55.992 57.345 0.200 0.000 1.176 359 W CB -0.378 29.198 29.460 0.194 0.000 1.433 359 W HN 0.598 nan 8.180 nan 0.000 0.562 360 V N -0.154 120.113 119.914 0.587 0.000 2.919 360 V HA 0.834 4.955 4.120 0.003 0.000 0.316 360 V C -0.542 175.650 176.094 0.163 0.000 1.077 360 V CA -1.620 60.885 62.300 0.342 0.000 0.977 360 V CB 1.677 33.650 31.823 0.250 0.000 1.039 360 V HN 0.646 nan 8.190 nan 0.000 0.441 361 K N 1.211 121.614 120.400 0.004 0.000 2.435 361 K HA 0.726 5.048 4.320 0.003 0.000 0.251 361 K C -1.028 175.257 176.600 -0.524 0.000 0.954 361 K CA -0.555 55.484 56.287 -0.412 0.000 0.820 361 K CB 2.204 34.221 32.500 -0.807 0.000 1.292 361 K HN 0.774 nan 8.250 nan 0.000 0.436 362 S N -0.039 115.050 115.700 -1.018 0.000 2.519 362 S HA 0.479 4.951 4.470 0.003 0.000 0.309 362 S C 0.256 174.383 174.600 -0.788 0.000 1.100 362 S CA -0.581 56.882 58.200 -1.229 0.000 1.059 362 S CB 1.064 62.978 63.200 -2.144 0.000 1.008 362 S HN 0.793 nan 8.310 nan 0.000 0.478 363 G N 2.151 110.617 108.800 -0.557 0.000 3.337 363 G HA2 0.199 4.161 3.960 0.003 0.000 0.246 363 G HA3 0.199 4.161 3.960 0.003 0.000 0.246 363 G C -0.070 174.652 174.900 -0.296 0.000 1.131 363 G CA -0.203 44.671 45.100 -0.377 0.000 0.773 363 G HN 0.781 nan 8.290 nan 0.000 0.544 364 D N -1.005 119.181 120.400 -0.357 0.000 2.837 364 D HA 0.161 4.803 4.640 0.003 0.000 0.340 364 D C -0.114 176.006 176.300 -0.300 0.000 1.451 364 D CA -0.773 53.090 54.000 -0.228 0.000 0.798 364 D CB -0.171 40.594 40.800 -0.058 0.000 1.169 364 D HN -0.054 nan 8.370 nan 0.000 0.449 365 D N 0.194 120.371 120.400 -0.371 0.000 2.870 365 D HA -0.110 4.532 4.640 0.003 0.000 0.228 365 D C 1.326 177.415 176.300 -0.353 0.000 1.147 365 D CA 1.634 55.442 54.000 -0.319 0.000 0.757 365 D CB -1.461 39.230 40.800 -0.182 0.000 1.091 365 D HN 0.767 nan 8.370 nan 0.000 0.429 366 G N -0.748 107.679 108.800 -0.622 0.000 2.176 366 G HA2 -0.383 3.579 3.960 0.003 0.000 0.232 366 G HA3 -0.383 3.579 3.960 0.003 0.000 0.232 366 G C 0.919 175.335 174.900 -0.807 0.000 0.986 366 G CA 0.604 45.311 45.100 -0.655 0.000 0.643 366 G HN 0.469 nan 8.290 nan 0.000 0.522 367 Q N -0.128 119.289 119.800 -0.638 0.000 2.123 367 Q HA 0.112 4.454 4.340 0.003 0.000 0.199 367 Q C 1.430 177.321 176.000 -0.183 0.000 0.966 367 Q CA 1.598 57.137 55.803 -0.441 0.000 0.845 367 Q CB 0.136 28.583 28.738 -0.484 0.000 0.907 367 Q HN 0.820 nan 8.270 nan 0.000 0.439 368 T N -3.084 111.301 114.554 -0.281 0.000 2.896 368 T HA 0.536 4.887 4.350 0.003 0.000 0.297 368 T C -1.548 172.878 174.700 -0.458 0.000 1.108 368 T CA -0.904 61.117 62.100 -0.131 0.000 1.004 368 T CB 1.341 70.206 68.868 -0.005 0.000 1.159 368 T HN 0.143 nan 8.240 nan 0.000 0.499 369 W N 0.869 122.064 121.300 -0.174 0.000 2.882 369 W HA 0.663 5.324 4.660 0.003 0.000 0.345 369 W C 0.451 176.885 176.519 -0.141 0.000 1.125 369 W CA -0.718 56.518 57.345 -0.182 0.000 1.167 369 W CB 1.877 31.221 29.460 -0.194 0.000 1.431 369 W HN 0.999 nan 8.180 nan 0.000 0.543 370 S N -0.388 115.358 115.700 0.076 0.000 2.645 370 S HA 0.469 4.941 4.470 0.003 0.000 0.266 370 S C 0.056 174.696 174.600 0.068 0.000 1.258 370 S CA -0.657 57.559 58.200 0.025 0.000 0.990 370 S CB 0.591 63.777 63.200 -0.023 0.000 0.967 370 S HN 0.353 nan 8.310 nan 0.000 0.556 371 T N 3.645 118.221 114.554 0.037 0.000 2.928 371 T HA 0.256 4.608 4.350 0.003 0.000 0.305 371 T C -2.298 172.445 174.700 0.072 0.000 1.035 371 T CA -0.319 61.800 62.100 0.032 0.000 1.145 371 T CB -0.261 68.599 68.868 -0.012 0.000 0.963 371 T HN 0.506 nan 8.240 nan 0.000 0.545 372 P HA 0.120 nan 4.420 nan 0.000 0.266 372 P C -0.289 177.028 177.300 0.028 0.000 1.195 372 P CA -0.009 63.187 63.100 0.160 0.000 0.768 372 P CB 0.470 32.297 31.700 0.213 0.000 0.838 373 E N 2.525 122.788 120.200 0.104 0.000 2.171 373 E HA 0.212 4.563 4.350 0.003 0.000 0.271 373 E C -0.989 175.598 176.600 -0.021 0.000 0.916 373 E CA -0.758 55.632 56.400 -0.018 0.000 0.774 373 E CB 0.629 30.382 29.700 0.088 0.000 1.128 373 E HN 0.279 nan 8.360 nan 0.000 0.403 374 W N 5.834 127.042 121.300 -0.153 0.000 2.345 374 W HA 0.196 4.857 4.660 0.003 0.000 0.308 374 W C 0.637 177.073 176.519 -0.138 0.000 1.273 374 W CA -0.576 56.654 57.345 -0.191 0.000 1.243 374 W CB 0.345 29.640 29.460 -0.276 0.000 1.260 374 W HN 0.701 nan 8.180 nan 0.000 0.509 375 L N 2.331 123.580 121.223 0.043 0.000 2.354 375 L HA 0.039 4.381 4.340 0.003 0.000 0.212 375 L C 1.266 178.228 176.870 0.153 0.000 1.091 375 L CA 0.848 55.717 54.840 0.048 0.000 0.828 375 L CB -0.383 41.593 42.059 -0.137 0.000 0.973 375 L HN 0.298 nan 8.230 nan 0.000 0.461 376 T N -4.122 110.469 114.554 0.060 0.000 2.887 376 T HA 0.440 4.791 4.350 0.003 0.000 0.288 376 T C -0.707 174.096 174.700 0.172 0.000 1.021 376 T CA -0.870 61.243 62.100 0.022 0.000 1.000 376 T CB 2.780 71.512 68.868 -0.227 0.000 1.034 376 T HN -0.199 nan 8.240 nan 0.000 0.467 377 D N 0.512 121.025 120.400 0.188 0.000 2.432 377 D HA 0.364 5.005 4.640 0.003 0.000 0.258 377 D C 0.183 176.523 176.300 0.067 0.000 1.146 377 D CA -1.003 53.104 54.000 0.178 0.000 1.015 377 D CB 0.695 41.594 40.800 0.164 0.000 1.107 377 D HN 0.593 nan 8.370 nan 0.000 0.529 378 L N 2.014 123.149 121.223 -0.146 0.000 2.490 378 L HA 0.020 4.362 4.340 0.003 0.000 0.274 378 L C 1.145 177.988 176.870 -0.046 0.000 1.201 378 L CA -0.004 54.663 54.840 -0.289 0.000 0.869 378 L CB 0.202 41.919 42.059 -0.570 0.000 1.123 378 L HN 0.457 nan 8.230 nan 0.000 0.484 379 H N 5.727 124.660 119.070 -0.227 0.000 3.038 379 H HA -0.017 4.540 4.556 0.003 0.000 0.338 379 H C -1.701 173.585 175.328 -0.069 0.000 1.041 379 H CA -0.972 54.879 56.048 -0.328 0.000 1.394 379 H CB 1.346 30.736 29.762 -0.620 0.000 1.357 379 H HN 0.370 nan 8.280 nan 0.000 0.600 380 P HA -0.117 nan 4.420 nan 0.000 0.218 380 P C 0.315 177.707 177.300 0.154 0.000 1.146 380 P CA 1.352 64.448 63.100 -0.005 0.000 0.813 380 P CB 0.308 31.951 31.700 -0.094 0.000 0.778 381 D N -2.857 117.782 120.400 0.398 0.000 2.358 381 D HA 0.023 4.665 4.640 0.003 0.000 0.224 381 D C 0.232 176.587 176.300 0.092 0.000 1.123 381 D CA -0.327 53.794 54.000 0.202 0.000 0.833 381 D CB -0.620 40.257 40.800 0.128 0.000 0.946 381 D HN 0.205 nan 8.370 nan 0.000 0.505 382 Y N 2.967 123.273 120.300 0.010 0.000 2.702 382 Y HA 0.050 4.602 4.550 0.003 0.000 0.336 382 Y C -1.175 174.704 175.900 -0.036 0.000 1.235 382 Y CA -0.856 57.211 58.100 -0.056 0.000 1.492 382 Y CB 0.910 39.336 38.460 -0.056 0.000 1.308 382 Y HN -0.058 nan 8.280 nan 0.000 0.589 383 P HA 0.119 nan 4.420 nan 0.000 0.259 383 P C 0.400 177.376 177.300 -0.540 0.000 1.530 383 P CA 0.267 62.795 63.100 -0.954 0.000 1.022 383 P CB 0.399 31.680 31.700 -0.697 0.000 1.514 384 T N -0.516 113.842 114.554 -0.325 0.000 2.809 384 T HA 0.050 4.402 4.350 0.003 0.000 0.260 384 T C 1.104 175.630 174.700 -0.290 0.000 1.039 384 T CA 1.088 63.037 62.100 -0.253 0.000 1.141 384 T CB -0.124 68.640 68.868 -0.173 0.000 0.869 384 T HN 0.124 nan 8.240 nan 0.000 0.437 385 V N -0.699 119.013 119.914 -0.336 0.000 3.130 385 V HA 0.902 5.024 4.120 0.003 0.000 0.310 385 V C -1.167 174.707 176.094 -0.366 0.000 1.158 385 V CA -1.255 60.809 62.300 -0.394 0.000 1.029 385 V CB 2.240 33.739 31.823 -0.540 0.000 1.057 385 V HN 0.125 nan 8.190 nan 0.000 0.436 386 N N -0.845 117.656 118.700 -0.331 0.000 2.934 386 N HA 0.558 5.300 4.740 0.003 0.000 0.253 386 N C -1.581 173.764 175.510 -0.275 0.000 1.466 386 N CA -0.592 52.309 53.050 -0.248 0.000 0.858 386 N CB 1.501 39.995 38.487 0.012 0.000 1.459 386 N HN 0.727 nan 8.380 nan 0.000 0.532 387 Y N 0.483 120.754 120.300 -0.050 0.000 2.281 387 Y HA 0.387 4.939 4.550 0.003 0.000 0.337 387 Y C 0.669 176.519 175.900 -0.084 0.000 1.304 387 Y CA 0.293 58.326 58.100 -0.112 0.000 1.465 387 Y CB 0.463 38.793 38.460 -0.217 0.000 1.350 387 Y HN 0.336 nan 8.280 nan 0.000 0.575 388 H N -0.130 118.916 119.070 -0.040 0.000 3.112 388 H HA 0.410 4.968 4.556 0.003 0.000 0.347 388 H C -1.909 173.344 175.328 -0.125 0.000 1.188 388 H CA -0.809 55.174 56.048 -0.110 0.000 1.240 388 H CB 1.873 31.562 29.762 -0.120 0.000 1.920 388 H HN 0.816 nan 8.280 nan 0.000 0.535 389 C N 6.304 125.336 119.300 -0.446 0.000 2.871 389 C HA 0.443 4.905 4.460 0.003 0.000 0.378 389 C C -0.050 174.809 174.990 -0.218 0.000 1.052 389 C CA -0.375 58.493 59.018 -0.250 0.000 1.250 389 C CB 0.360 27.965 27.740 -0.224 0.000 1.689 389 C HN 0.950 nan 8.230 nan 0.000 0.506 390 M N 3.456 123.032 119.600 -0.040 0.000 2.414 390 M HA 0.245 4.727 4.480 0.003 0.000 0.357 390 M C 0.212 176.557 176.300 0.075 0.000 1.059 390 M CA 0.285 55.627 55.300 0.069 0.000 0.959 390 M CB 0.763 33.510 32.600 0.245 0.000 1.522 390 M HN 0.625 nan 8.290 nan 0.000 0.551 391 S N 1.675 117.427 115.700 0.087 0.000 2.672 391 S HA 0.803 5.275 4.470 0.003 0.000 0.291 391 S C -1.082 173.575 174.600 0.096 0.000 1.145 391 S CA -0.497 57.790 58.200 0.144 0.000 1.013 391 S CB 1.339 64.680 63.200 0.235 0.000 1.017 391 S HN 0.397 nan 8.310 nan 0.000 0.487 392 M N 4.669 124.287 119.600 0.029 0.000 2.426 392 M HA 0.656 5.138 4.480 0.003 0.000 0.289 392 M C -0.876 175.003 176.300 -0.701 0.000 1.168 392 M CA -0.052 55.115 55.300 -0.222 0.000 0.933 392 M CB 1.606 34.198 32.600 -0.014 0.000 1.750 392 M HN 0.893 nan 8.290 nan 0.000 0.494 393 G N 1.600 109.543 108.800 -1.428 0.000 2.428 393 G HA2 0.568 4.530 3.960 0.003 0.000 0.304 393 G HA3 0.568 4.530 3.960 0.003 0.000 0.304 393 G C -2.362 171.691 174.900 -1.411 0.000 1.303 393 G CA -0.570 43.485 45.100 -1.742 0.000 0.825 393 G HN 0.665 nan 8.290 nan 0.000 0.484 394 V N -0.451 118.952 119.914 -0.851 0.000 2.540 394 V HA 0.648 4.770 4.120 0.003 0.000 0.302 394 V C -0.588 175.561 176.094 0.092 0.000 1.035 394 V CA -0.642 61.427 62.300 -0.385 0.000 0.873 394 V CB 1.321 32.882 31.823 -0.437 0.000 0.992 394 V HN 1.074 nan 8.190 nan 0.000 0.428 395 C N 6.171 125.664 119.300 0.321 0.000 2.481 395 C HA 0.625 5.087 4.460 0.003 0.000 0.324 395 C C 0.706 176.036 174.990 0.567 0.000 1.170 395 C CA -0.724 58.577 59.018 0.473 0.000 1.361 395 C CB 0.558 28.627 27.740 0.548 0.000 1.977 395 C HN 1.027 nan 8.230 nan 0.000 0.459 396 R N 4.238 124.964 120.500 0.378 0.000 3.225 396 R HA -0.221 4.120 4.340 0.003 0.000 0.245 396 R C 0.575 177.035 176.300 0.267 0.000 0.928 396 R CA 1.510 57.757 56.100 0.245 0.000 0.632 396 R CB -1.752 28.538 30.300 -0.016 0.000 1.038 396 R HN 1.117 nan 8.270 nan 0.000 0.461 397 N N -1.720 117.111 118.700 0.218 0.000 2.850 397 N HA -0.213 4.528 4.740 0.003 0.000 0.249 397 N C -0.772 174.716 175.510 -0.038 0.000 1.060 397 N CA 1.515 54.638 53.050 0.122 0.000 0.825 397 N CB -0.434 38.152 38.487 0.165 0.000 1.132 397 N HN 0.556 nan 8.380 nan 0.000 0.564 398 R N 0.369 120.874 120.500 0.009 0.000 2.599 398 R HA 0.488 4.830 4.340 0.003 0.000 0.295 398 R C -0.822 175.322 176.300 -0.261 0.000 0.963 398 R CA -1.014 54.977 56.100 -0.181 0.000 0.883 398 R CB 1.751 31.869 30.300 -0.304 0.000 1.171 398 R HN 0.015 nan 8.270 nan 0.000 0.450 399 L N 3.120 124.139 121.223 -0.340 0.000 2.367 399 L HA 0.330 4.672 4.340 0.003 0.000 0.275 399 L C -1.273 175.395 176.870 -0.337 0.000 1.129 399 L CA 0.647 55.293 54.840 -0.323 0.000 0.839 399 L CB 0.141 42.147 42.059 -0.089 0.000 1.133 399 L HN 0.413 nan 8.230 nan 0.000 0.453 400 F N 4.233 124.001 119.950 -0.304 0.000 2.495 400 F HA 0.777 5.306 4.527 0.003 0.000 0.327 400 F C 0.194 175.851 175.800 -0.239 0.000 1.103 400 F CA -0.370 57.501 58.000 -0.215 0.000 0.949 400 F CB 1.969 40.749 39.000 -0.366 0.000 1.142 400 F HN 0.598 nan 8.300 nan 0.000 0.457 401 A N 3.328 126.201 122.820 0.087 0.000 2.488 401 A HA 0.692 5.014 4.320 0.003 0.000 0.298 401 A C -1.389 176.167 177.584 -0.047 0.000 1.044 401 A CA -0.726 51.301 52.037 -0.018 0.000 0.693 401 A CB 1.421 20.375 19.000 -0.076 0.000 1.272 401 A HN 0.713 nan 8.150 nan 0.000 0.402 402 M N 3.954 123.533 119.600 -0.035 0.000 2.201 402 M HA 0.366 4.848 4.480 0.003 0.000 0.345 402 M C -1.075 175.107 176.300 -0.197 0.000 1.352 402 M CA -0.489 54.777 55.300 -0.058 0.000 1.218 402 M CB -0.433 32.201 32.600 0.057 0.000 1.512 402 M HN 0.466 nan 8.290 nan 0.000 0.447 403 I N 5.048 125.362 120.570 -0.425 0.000 2.301 403 I HA 0.213 4.385 4.170 0.003 0.000 0.292 403 I C 0.194 176.126 176.117 -0.308 0.000 1.046 403 I CA -0.041 60.868 61.300 -0.651 0.000 1.282 403 I CB 0.049 37.036 38.000 -1.689 0.000 1.409 403 I HN 0.666 nan 8.210 nan 0.000 0.484 404 E N 4.093 124.224 120.200 -0.115 0.000 2.283 404 E HA 0.424 4.776 4.350 0.003 0.000 0.271 404 E C -0.415 176.223 176.600 0.062 0.000 1.031 404 E CA -0.527 55.875 56.400 0.004 0.000 0.868 404 E CB 1.379 31.112 29.700 0.056 0.000 1.094 404 E HN 0.407 nan 8.360 nan 0.000 0.401 405 T N 2.783 117.351 114.554 0.023 0.000 2.771 405 T HA 0.461 4.813 4.350 0.003 0.000 0.281 405 T C -0.332 174.285 174.700 -0.139 0.000 0.982 405 T CA -0.730 61.330 62.100 -0.066 0.000 0.978 405 T CB 0.653 69.475 68.868 -0.077 0.000 0.930 405 T HN 0.291 nan 8.240 nan 0.000 0.447 406 R N 1.027 121.409 120.500 -0.197 0.000 2.795 406 R HA 0.600 4.941 4.340 0.003 0.000 0.275 406 R C -0.128 176.031 176.300 -0.235 0.000 0.981 406 R CA -1.067 54.903 56.100 -0.217 0.000 0.917 406 R CB 1.411 31.549 30.300 -0.270 0.000 1.202 406 R HN 0.713 nan 8.270 nan 0.000 0.469 407 T N -0.534 113.893 114.554 -0.212 0.000 2.919 407 T HA 0.133 4.484 4.350 0.003 0.000 0.302 407 T C 1.249 175.826 174.700 -0.206 0.000 1.031 407 T CA -0.580 61.397 62.100 -0.206 0.000 1.127 407 T CB 0.654 69.422 68.868 -0.168 0.000 0.952 407 T HN 0.348 nan 8.240 nan 0.000 0.540 408 L N 2.759 123.852 121.223 -0.217 0.000 2.093 408 L HA 0.084 4.426 4.340 0.003 0.000 0.208 408 L C 2.952 179.724 176.870 -0.162 0.000 1.085 408 L CA 2.059 56.779 54.840 -0.201 0.000 0.755 408 L CB -1.251 40.659 42.059 -0.249 0.000 0.904 408 L HN 0.980 nan 8.230 nan 0.000 0.435 409 A N -0.581 122.150 122.820 -0.149 0.000 1.883 409 A HA -0.203 4.119 4.320 0.003 0.000 0.217 409 A C 2.087 179.605 177.584 -0.109 0.000 1.186 409 A CA 1.973 53.941 52.037 -0.115 0.000 0.624 409 A CB -0.200 18.739 19.000 -0.101 0.000 0.822 409 A HN 0.446 nan 8.150 nan 0.000 0.444 410 K N -2.678 117.647 120.400 -0.125 0.000 2.517 410 K HA 0.123 4.445 4.320 0.003 0.000 0.210 410 K C 0.033 176.537 176.600 -0.159 0.000 1.166 410 K CA 0.195 56.409 56.287 -0.121 0.000 1.030 410 K CB 0.682 33.124 32.500 -0.096 0.000 0.974 410 K HN 0.299 nan 8.250 nan 0.000 0.585 411 N N 1.520 120.104 118.700 -0.194 0.000 2.735 411 N HA -0.183 4.559 4.740 0.003 0.000 0.248 411 N C -1.033 174.340 175.510 -0.228 0.000 1.083 411 N CA 0.804 53.705 53.050 -0.250 0.000 0.703 411 N CB -0.993 37.303 38.487 -0.317 0.000 1.005 411 N HN 0.407 nan 8.380 nan 0.000 0.550 412 A N 0.249 122.961 122.820 -0.180 0.000 2.328 412 A HA 0.532 4.854 4.320 0.003 0.000 0.284 412 A C 0.381 177.874 177.584 -0.151 0.000 1.160 412 A CA -0.552 51.397 52.037 -0.145 0.000 0.818 412 A CB 0.612 19.545 19.000 -0.111 0.000 1.087 412 A HN 0.410 nan 8.150 nan 0.000 0.504 413 L N 3.344 124.487 121.223 -0.133 0.000 2.462 413 L HA 0.313 4.654 4.340 0.003 0.000 0.272 413 L C 1.416 178.233 176.870 -0.087 0.000 1.166 413 L CA 1.721 56.493 54.840 -0.113 0.000 0.880 413 L CB 0.736 42.745 42.059 -0.084 0.000 1.142 413 L HN 0.856 nan 8.230 nan 0.000 0.473 414 T N 0.683 115.184 114.554 -0.088 0.000 2.955 414 T HA 0.275 4.627 4.350 0.003 0.000 0.251 414 T C 0.531 175.208 174.700 -0.038 0.000 1.002 414 T CA -0.168 61.889 62.100 -0.070 0.000 0.970 414 T CB -0.172 68.638 68.868 -0.097 0.000 1.091 414 T HN 0.599 nan 8.240 nan 0.000 0.495 415 N N -0.630 118.055 118.700 -0.026 0.000 2.636 415 N HA 0.330 5.071 4.740 0.003 0.000 0.261 415 N C -2.030 173.490 175.510 0.017 0.000 1.195 415 N CA -0.417 52.640 53.050 0.012 0.000 0.902 415 N CB 2.088 40.605 38.487 0.050 0.000 1.627 415 N HN 0.183 nan 8.380 nan 0.000 0.491 416 C N 1.879 121.191 119.300 0.020 0.000 2.408 416 C HA 0.917 5.378 4.460 0.003 0.000 0.321 416 C C 0.089 175.107 174.990 0.047 0.000 1.245 416 C CA -0.339 58.685 59.018 0.010 0.000 1.523 416 C CB 0.161 27.883 27.740 -0.030 0.000 2.178 416 C HN 0.704 nan 8.230 nan 0.000 0.488 417 A N 2.812 125.658 122.820 0.044 0.000 2.393 417 A HA 0.770 5.092 4.320 0.003 0.000 0.306 417 A C -1.232 176.420 177.584 0.114 0.000 1.050 417 A CA -0.459 51.661 52.037 0.138 0.000 0.724 417 A CB 0.914 20.098 19.000 0.306 0.000 1.248 417 A HN 0.830 nan 8.150 nan 0.000 0.424 418 L N 2.527 123.869 121.223 0.199 0.000 2.278 418 L HA 0.638 4.980 4.340 0.003 0.000 0.287 418 L C -1.409 175.687 176.870 0.377 0.000 1.072 418 L CA -0.101 54.863 54.840 0.206 0.000 0.819 418 L CB -0.063 42.098 42.059 0.170 0.000 1.176 418 L HN 0.634 nan 8.230 nan 0.000 0.435 419 W N 3.910 125.173 121.300 -0.062 0.000 2.520 419 W HA 0.530 5.191 4.660 0.003 0.000 0.323 419 W C -0.513 176.040 176.519 0.057 0.000 1.062 419 W CA -1.146 56.148 57.345 -0.085 0.000 1.215 419 W CB 1.381 30.543 29.460 -0.497 0.000 1.340 419 W HN 0.673 nan 8.180 nan 0.000 0.516 420 D N 0.603 121.181 120.400 0.296 0.000 2.596 420 D HA 0.764 5.406 4.640 0.003 0.000 0.234 420 D C -1.218 175.020 176.300 -0.103 0.000 1.181 420 D CA -1.056 52.887 54.000 -0.097 0.000 0.856 420 D CB 2.176 42.436 40.800 -0.900 0.000 1.498 420 D HN 0.319 nan 8.370 nan 0.000 0.446 421 R N 0.434 120.723 120.500 -0.351 0.000 2.594 421 R HA 0.407 4.749 4.340 0.003 0.000 0.265 421 R C -2.924 173.156 176.300 -0.366 0.000 1.070 421 R CA -1.919 53.876 56.100 -0.508 0.000 0.909 421 R CB 2.109 31.743 30.300 -1.110 0.000 1.243 421 R HN 0.400 nan 8.270 nan 0.000 0.455 422 P HA 0.062 nan 4.420 nan 0.000 0.271 422 P C -0.532 176.740 177.300 -0.046 0.000 1.216 422 P CA -0.113 62.870 63.100 -0.196 0.000 0.776 422 P CB 0.658 32.251 31.700 -0.178 0.000 0.881 423 M N 1.357 120.902 119.600 -0.092 0.000 2.233 423 M HA 0.128 4.610 4.480 0.003 0.000 0.350 423 M C 0.724 177.060 176.300 0.060 0.000 1.176 423 M CA 0.184 55.427 55.300 -0.094 0.000 1.150 423 M CB -0.147 32.105 32.600 -0.580 0.000 1.530 423 M HN 0.276 nan 8.290 nan 0.000 0.459 424 S N 3.725 119.499 115.700 0.123 0.000 2.533 424 S HA 0.413 4.885 4.470 0.003 0.000 0.282 424 S C 0.026 174.730 174.600 0.172 0.000 1.304 424 S CA -0.345 57.937 58.200 0.137 0.000 1.063 424 S CB 0.428 63.703 63.200 0.125 0.000 0.881 424 S HN 0.483 nan 8.310 nan 0.000 0.493 425 R N 1.010 121.583 120.500 0.121 0.000 2.707 425 R HA 0.501 4.843 4.340 0.003 0.000 0.272 425 R C -1.292 175.011 176.300 0.006 0.000 1.011 425 R CA -0.753 55.397 56.100 0.082 0.000 0.893 425 R CB 1.776 32.130 30.300 0.089 0.000 1.233 425 R HN 0.652 nan 8.270 nan 0.000 0.464 426 S N 1.984 117.649 115.700 -0.059 0.000 2.454 426 S HA 0.620 5.092 4.470 0.003 0.000 0.306 426 S C -0.317 174.055 174.600 -0.381 0.000 1.100 426 S CA -0.894 57.201 58.200 -0.175 0.000 1.087 426 S CB 0.941 64.066 63.200 -0.124 0.000 1.019 426 S HN 0.403 nan 8.310 nan 0.000 0.480 427 L N 3.902 124.858 121.223 -0.444 0.000 2.341 427 L HA 0.499 4.841 4.340 0.003 0.000 0.278 427 L C -0.539 175.949 176.870 -0.636 0.000 1.005 427 L CA -0.786 53.763 54.840 -0.485 0.000 0.818 427 L CB 1.405 43.284 42.059 -0.299 0.000 1.259 427 L HN 0.722 nan 8.230 nan 0.000 0.418 428 H N 5.314 124.289 119.070 -0.158 0.000 2.638 428 H HA 0.537 5.095 4.556 0.003 0.000 0.303 428 H C -0.671 174.454 175.328 -0.338 0.000 1.034 428 H CA -0.356 55.573 56.048 -0.199 0.000 1.225 428 H CB 1.390 31.146 29.762 -0.009 0.000 1.394 428 H HN 0.384 nan 8.280 nan 0.000 0.477 429 L N 1.661 122.543 121.223 -0.569 0.000 2.323 429 L HA 0.505 4.846 4.340 0.003 0.000 0.265 429 L C 0.183 176.809 176.870 -0.407 0.000 1.012 429 L CA -0.772 53.728 54.840 -0.566 0.000 0.820 429 L CB 2.311 43.834 42.059 -0.893 0.000 1.334 429 L HN 0.372 nan 8.230 nan 0.000 0.427 430 T N 0.880 115.398 114.554 -0.061 0.000 2.809 430 T HA 0.633 4.985 4.350 0.003 0.000 0.284 430 T C 0.122 174.993 174.700 0.285 0.000 0.992 430 T CA 0.020 62.200 62.100 0.133 0.000 0.957 430 T CB 1.482 70.395 68.868 0.075 0.000 0.942 430 T HN 1.052 nan 8.240 nan 0.000 0.439 431 G N 1.864 110.914 108.800 0.418 0.000 2.752 431 G HA2 0.240 4.202 3.960 0.003 0.000 0.234 431 G HA3 0.240 4.202 3.960 0.003 0.000 0.234 431 G C 0.713 175.856 174.900 0.405 0.000 1.367 431 G CA 0.232 45.510 45.100 0.296 0.000 0.879 431 G HN 1.946 nan 8.290 nan 0.000 0.563 432 G N -2.164 106.752 108.800 0.193 0.000 2.195 432 G HA2 -0.068 3.893 3.960 0.003 0.000 0.224 432 G HA3 -0.068 3.893 3.960 0.003 0.000 0.224 432 G C 0.321 175.250 174.900 0.049 0.000 0.990 432 G CA 0.556 45.782 45.100 0.211 0.000 0.639 432 G HN 1.561 nan 8.290 nan 0.000 0.514 433 I N 2.655 123.142 120.570 -0.138 0.000 2.339 433 I HA 0.534 4.706 4.170 0.003 0.000 0.290 433 I C 0.413 176.407 176.117 -0.206 0.000 0.994 433 I CA -0.260 60.870 61.300 -0.283 0.000 1.191 433 I CB 1.803 39.457 38.000 -0.576 0.000 1.343 433 I HN 0.230 nan 8.210 nan 0.000 0.458 434 T N 2.528 116.982 114.554 -0.167 0.000 2.893 434 T HA 0.548 4.900 4.350 0.003 0.000 0.291 434 T C -0.690 173.936 174.700 -0.124 0.000 1.028 434 T CA -0.982 61.043 62.100 -0.125 0.000 0.995 434 T CB 2.524 71.343 68.868 -0.083 0.000 1.051 434 T HN 0.588 nan 8.240 nan 0.000 0.470 435 K N 1.542 121.880 120.400 -0.104 0.000 2.637 435 K HA 0.607 4.928 4.320 0.003 0.000 0.248 435 K C -0.446 176.119 176.600 -0.058 0.000 0.971 435 K CA -0.690 55.545 56.287 -0.086 0.000 0.858 435 K CB 1.533 33.964 32.500 -0.115 0.000 1.170 435 K HN 0.968 nan 8.250 nan 0.000 0.443 436 A N 2.790 125.590 122.820 -0.034 0.000 2.462 436 A HA 0.494 4.816 4.320 0.003 0.000 0.243 436 A C 0.272 177.843 177.584 -0.022 0.000 1.076 436 A CA 0.093 52.116 52.037 -0.023 0.000 0.773 436 A CB 0.337 19.331 19.000 -0.010 0.000 1.010 436 A HN 0.854 nan 8.150 nan 0.000 0.493 437 A N 2.546 125.353 122.820 -0.022 0.000 2.520 437 A HA 0.380 4.702 4.320 0.003 0.000 0.235 437 A C 0.919 178.495 177.584 -0.013 0.000 1.065 437 A CA 0.388 52.412 52.037 -0.021 0.000 0.764 437 A CB -0.303 18.685 19.000 -0.020 0.000 1.002 437 A HN 1.392 nan 8.150 nan 0.000 0.502 438 N N -1.114 117.577 118.700 -0.015 0.000 2.741 438 N HA -0.193 4.549 4.740 0.003 0.000 0.250 438 N C -0.243 175.268 175.510 0.002 0.000 1.115 438 N CA 1.783 54.828 53.050 -0.009 0.000 0.724 438 N CB -1.622 36.861 38.487 -0.006 0.000 1.090 438 N HN 1.045 nan 8.380 nan 0.000 0.558 439 Q N -2.152 117.650 119.800 0.003 0.000 2.630 439 Q HA 0.572 4.914 4.340 0.003 0.000 0.295 439 Q C -0.026 175.972 176.000 -0.002 0.000 0.944 439 Q CA -0.863 54.957 55.803 0.029 0.000 0.766 439 Q CB 0.769 29.554 28.738 0.078 0.000 1.471 439 Q HN -0.003 nan 8.270 nan 0.000 0.416 440 R N -0.589 119.897 120.500 -0.025 0.000 2.397 440 R HA 0.273 4.615 4.340 0.003 0.000 0.241 440 R C -0.396 175.719 176.300 -0.307 0.000 0.914 440 R CA 0.039 56.021 56.100 -0.196 0.000 1.071 440 R CB 0.450 30.574 30.300 -0.293 0.000 1.116 440 R HN 0.496 nan 8.270 nan 0.000 0.524 441 Y N 0.592 120.856 120.300 -0.059 0.000 2.320 441 Y HA 0.468 5.021 4.550 0.004 0.000 0.324 441 Y C 0.443 176.283 175.900 -0.100 0.000 1.190 441 Y CA -0.840 57.219 58.100 -0.067 0.000 1.215 441 Y CB 1.297 39.732 38.460 -0.042 0.000 1.221 441 Y HN -0.058 nan 8.280 nan 0.000 0.486 442 A N 1.410 124.233 122.820 0.005 0.000 2.365 442 A HA 0.710 5.031 4.320 0.003 0.000 0.318 442 A C -0.710 176.808 177.584 -0.110 0.000 1.091 442 A CA -0.753 51.222 52.037 -0.103 0.000 0.763 442 A CB 0.757 19.616 19.000 -0.236 0.000 1.248 442 A HN 0.660 nan 8.150 nan 0.000 0.442 443 T N 3.431 117.907 114.554 -0.129 0.000 2.767 443 T HA 0.495 4.847 4.350 0.003 0.000 0.288 443 T C -0.165 174.394 174.700 -0.235 0.000 0.963 443 T CA -0.073 61.937 62.100 -0.151 0.000 1.019 443 T CB 0.276 69.099 68.868 -0.076 0.000 0.923 443 T HN 0.391 nan 8.240 nan 0.000 0.468 444 I N 3.653 123.979 120.570 -0.407 0.000 2.355 444 I HA 0.215 4.387 4.170 0.003 0.000 0.288 444 I C 0.345 176.298 176.117 -0.272 0.000 0.999 444 I CA -0.713 60.325 61.300 -0.436 0.000 1.163 444 I CB 0.971 38.466 38.000 -0.842 0.000 1.316 444 I HN 0.711 nan 8.210 nan 0.000 0.454 445 H N 6.793 125.826 119.070 -0.062 0.000 2.761 445 H HA 0.495 5.052 4.556 0.002 0.000 0.284 445 H C -1.550 173.884 175.328 0.177 0.000 1.105 445 H CA -0.240 55.846 56.048 0.063 0.000 1.352 445 H CB 1.192 30.999 29.762 0.074 0.000 1.423 445 H HN 0.347 nan 8.280 nan 0.000 0.464 446 V N 8.587 128.433 119.914 -0.113 0.000 2.445 446 V HA 0.183 4.305 4.120 0.003 0.000 0.283 446 V C -2.315 173.761 176.094 -0.030 0.000 1.014 446 V CA -1.612 60.695 62.300 0.012 0.000 0.852 446 V CB 1.535 33.533 31.823 0.292 0.000 1.021 446 V HN 0.768 nan 8.190 nan 0.000 0.435 447 P HA 0.121 nan 4.420 nan 0.000 0.265 447 P C 0.068 177.343 177.300 -0.041 0.000 1.193 447 P CA 0.536 63.569 63.100 -0.112 0.000 0.765 447 P CB 0.243 31.904 31.700 -0.065 0.000 0.823 448 D N 0.971 121.310 120.400 -0.102 0.000 2.708 448 D HA -0.208 4.434 4.640 0.003 0.000 0.236 448 D C 1.243 177.456 176.300 -0.145 0.000 1.146 448 D CA 0.814 54.713 54.000 -0.168 0.000 0.662 448 D CB -1.242 39.506 40.800 -0.087 0.000 1.059 448 D HN 0.718 nan 8.370 nan 0.000 0.428 449 H N -0.986 118.088 119.070 0.008 0.000 2.421 449 H HA 0.010 4.568 4.556 0.003 0.000 0.298 449 H C 1.820 177.129 175.328 -0.031 0.000 1.087 449 H CA 1.396 57.459 56.048 0.025 0.000 1.330 449 H CB -0.159 29.674 29.762 0.118 0.000 1.388 449 H HN 0.378 nan 8.280 nan 0.000 0.526 450 G N 1.215 109.907 108.800 -0.179 0.000 2.168 450 G HA2 -0.285 3.677 3.960 0.003 0.000 0.257 450 G HA3 -0.285 3.677 3.960 0.003 0.000 0.257 450 G C 0.069 174.917 174.900 -0.085 0.000 0.997 450 G CA 0.540 45.629 45.100 -0.019 0.000 0.708 450 G HN 0.400 nan 8.290 nan 0.000 0.520 451 L N -0.604 120.705 121.223 0.143 0.000 2.360 451 L HA 0.811 5.152 4.340 0.003 0.000 0.271 451 L C 0.343 177.151 176.870 -0.104 0.000 1.057 451 L CA -1.163 53.583 54.840 -0.157 0.000 0.803 451 L CB 0.811 42.675 42.059 -0.324 0.000 1.207 451 L HN -0.039 nan 8.230 nan 0.000 0.445 452 F N -0.175 119.794 119.950 0.031 0.000 2.575 452 F HA 0.434 4.963 4.527 0.002 0.000 0.330 452 F C 0.234 176.022 175.800 -0.020 0.000 1.056 452 F CA -1.342 56.680 58.000 0.038 0.000 0.964 452 F CB 1.145 40.163 39.000 0.029 0.000 1.258 452 F HN -0.061 nan 8.300 nan 0.000 0.484 453 V N 1.810 121.863 119.914 0.232 0.000 2.644 453 V HA 0.274 4.396 4.120 0.003 0.000 0.305 453 V C 1.005 177.152 176.094 0.088 0.000 1.053 453 V CA 1.808 64.180 62.300 0.119 0.000 1.186 453 V CB -0.039 31.841 31.823 0.096 0.000 0.895 453 V HN 1.089 nan 8.190 nan 0.000 0.490 454 G N 3.641 112.472 108.800 0.052 0.000 2.234 454 G HA2 -0.189 3.772 3.960 0.003 0.000 0.235 454 G HA3 -0.189 3.772 3.960 0.003 0.000 0.235 454 G C -0.013 174.895 174.900 0.012 0.000 0.997 454 G CA 0.063 45.182 45.100 0.031 0.000 0.623 454 G HN 0.674 nan 8.290 nan 0.000 0.514 455 D N 0.002 120.399 120.400 -0.006 0.000 2.362 455 D HA 0.446 5.088 4.640 0.003 0.000 0.242 455 D C 0.385 176.681 176.300 -0.006 0.000 1.132 455 D CA -0.306 53.674 54.000 -0.034 0.000 0.907 455 D CB 0.561 41.301 40.800 -0.100 0.000 1.195 455 D HN 0.162 nan 8.370 nan 0.000 0.429 456 F N 1.802 121.684 119.950 -0.113 0.000 2.484 456 F HA 0.293 4.822 4.527 0.003 0.000 0.360 456 F C -0.129 175.616 175.800 -0.090 0.000 1.101 456 F CA -0.290 57.665 58.000 -0.075 0.000 1.251 456 F CB 0.520 39.477 39.000 -0.071 0.000 1.132 456 F HN 0.051 nan 8.300 nan 0.000 0.570 457 V N 4.396 123.879 119.914 -0.718 0.000 2.733 457 V HA 0.450 4.571 4.120 0.003 0.000 0.306 457 V C -1.236 174.355 176.094 -0.839 0.000 1.084 457 V CA -1.010 60.939 62.300 -0.585 0.000 0.905 457 V CB 1.400 33.061 31.823 -0.269 0.000 1.010 457 V HN 0.895 nan 8.190 nan 0.000 0.424 458 N N 2.930 121.242 118.700 -0.647 0.000 2.314 458 N HA 0.647 5.389 4.740 0.003 0.000 0.304 458 N C -1.998 173.281 175.510 -0.386 0.000 1.073 458 N CA -0.354 52.483 53.050 -0.354 0.000 0.822 458 N CB 2.201 40.707 38.487 0.031 0.000 1.280 458 N HN 0.639 nan 8.380 nan 0.000 0.489 459 F N 0.491 120.500 119.950 0.099 0.000 2.540 459 F HA 0.432 4.960 4.527 0.002 0.000 0.317 459 F C 0.080 175.995 175.800 0.192 0.000 1.104 459 F CA -0.507 57.608 58.000 0.193 0.000 0.913 459 F CB 2.239 41.305 39.000 0.110 0.000 1.170 459 F HN 0.228 nan 8.300 nan 0.000 0.450 460 S N 2.080 118.057 115.700 0.462 0.000 2.547 460 S HA 0.341 4.813 4.470 0.003 0.000 0.281 460 S C -0.437 174.419 174.600 0.426 0.000 1.118 460 S CA -1.119 57.304 58.200 0.372 0.000 0.947 460 S CB 1.572 64.967 63.200 0.325 0.000 1.053 460 S HN 0.762 nan 8.310 nan 0.000 0.482 461 N N 0.977 119.853 118.700 0.294 0.000 2.725 461 N HA -0.198 4.543 4.740 0.003 0.000 0.249 461 N C 1.158 176.798 175.510 0.218 0.000 1.103 461 N CA 0.957 54.155 53.050 0.248 0.000 0.707 461 N CB -1.349 37.318 38.487 0.300 0.000 1.043 461 N HN 0.808 nan 8.380 nan 0.000 0.553 462 S N -0.341 115.438 115.700 0.132 0.000 2.419 462 S HA 0.122 4.594 4.470 0.003 0.000 0.233 462 S C 1.457 175.962 174.600 -0.159 0.000 1.016 462 S CA 1.291 59.428 58.200 -0.104 0.000 0.974 462 S CB -0.055 62.990 63.200 -0.258 0.000 0.786 462 S HN 1.236 nan 8.310 nan 0.000 0.492 463 A N -0.630 122.152 122.820 -0.064 0.000 2.826 463 A HA -0.091 4.231 4.320 0.003 0.000 0.274 463 A C 0.252 177.766 177.584 -0.116 0.000 1.443 463 A CA 0.868 52.867 52.037 -0.064 0.000 0.833 463 A CB -2.369 16.610 19.000 -0.034 0.000 1.023 463 A HN 1.023 nan 8.150 nan 0.000 0.600 464 V N 1.156 120.972 119.914 -0.165 0.000 2.447 464 V HA 0.379 4.501 4.120 0.003 0.000 0.292 464 V C 0.656 176.649 176.094 -0.169 0.000 1.021 464 V CA -0.030 62.158 62.300 -0.187 0.000 0.850 464 V CB 1.546 33.206 31.823 -0.273 0.000 1.005 464 V HN 0.523 nan 8.190 nan 0.000 0.426 465 T N 3.796 118.275 114.554 -0.125 0.000 2.849 465 T HA 0.316 4.668 4.350 0.003 0.000 0.289 465 T C 1.396 176.017 174.700 -0.132 0.000 1.010 465 T CA 1.332 63.368 62.100 -0.106 0.000 1.161 465 T CB 0.331 69.150 68.868 -0.083 0.000 0.989 465 T HN 1.528 nan 8.240 nan 0.000 0.523 466 G N 2.174 110.901 108.800 -0.120 0.000 2.225 466 G HA2 -0.263 3.699 3.960 0.003 0.000 0.254 466 G HA3 -0.263 3.699 3.960 0.003 0.000 0.254 466 G C 0.262 175.049 174.900 -0.187 0.000 0.988 466 G CA -0.072 44.947 45.100 -0.134 0.000 0.625 466 G HN 0.813 nan 8.290 nan 0.000 0.527 467 V N 1.581 121.341 119.914 -0.257 0.000 2.284 467 V HA 0.698 4.820 4.120 0.003 0.000 0.260 467 V C 0.364 176.302 176.094 -0.260 0.000 1.084 467 V CA 0.556 62.593 62.300 -0.439 0.000 0.894 467 V CB 0.789 32.215 31.823 -0.662 0.000 1.119 467 V HN 0.842 nan 8.190 nan 0.000 0.484 468 S N 3.439 119.087 115.700 -0.086 0.000 2.560 468 S HA 0.676 5.148 4.470 0.003 0.000 0.283 468 S C -0.081 174.599 174.600 0.134 0.000 1.141 468 S CA 0.611 58.859 58.200 0.079 0.000 0.902 468 S CB 1.310 64.524 63.200 0.023 0.000 1.104 468 S HN 1.893 nan 8.310 nan 0.000 0.454 469 G N 3.814 112.724 108.800 0.183 0.000 2.598 469 G HA2 -0.154 3.808 3.960 0.003 0.000 0.244 469 G HA3 -0.154 3.808 3.960 0.003 0.000 0.244 469 G C -1.228 173.741 174.900 0.115 0.000 1.302 469 G CA 0.142 45.326 45.100 0.139 0.000 0.903 469 G HN 0.834 nan 8.290 nan 0.000 0.575 470 D N 1.413 121.856 120.400 0.071 0.000 2.343 470 D HA 0.586 5.228 4.640 0.003 0.000 0.255 470 D C 0.966 177.217 176.300 -0.082 0.000 1.187 470 D CA 0.722 54.692 54.000 -0.051 0.000 0.875 470 D CB 0.718 41.614 40.800 0.161 0.000 1.136 470 D HN 0.521 nan 8.370 nan 0.000 0.469 471 M N 0.509 119.973 119.600 -0.227 0.000 2.846 471 M HA 0.452 4.934 4.480 0.003 0.000 0.282 471 M C -0.301 175.909 176.300 -0.150 0.000 1.266 471 M CA -0.798 54.460 55.300 -0.071 0.000 0.766 471 M CB 2.282 34.959 32.600 0.127 0.000 1.739 471 M HN 0.019 nan 8.290 nan 0.000 0.442 472 T N 0.469 115.013 114.554 -0.017 0.000 2.906 472 T HA 0.485 4.837 4.350 0.003 0.000 0.295 472 T C -0.805 173.934 174.700 0.064 0.000 1.061 472 T CA -0.632 61.465 62.100 -0.005 0.000 1.000 472 T CB 2.170 71.051 68.868 0.021 0.000 1.103 472 T HN 0.371 nan 8.240 nan 0.000 0.486 473 V N 2.690 122.617 119.914 0.021 0.000 2.479 473 V HA 0.297 4.419 4.120 0.003 0.000 0.281 473 V C 1.269 177.434 176.094 0.118 0.000 1.031 473 V CA 0.311 62.650 62.300 0.064 0.000 1.038 473 V CB 0.419 32.170 31.823 -0.119 0.000 0.981 473 V HN 1.161 nan 8.190 nan 0.000 0.478 474 A N 4.605 127.538 122.820 0.188 0.000 1.911 474 A HA 0.236 4.557 4.320 0.003 0.000 0.212 474 A C 1.130 178.799 177.584 0.141 0.000 1.189 474 A CA 1.202 53.348 52.037 0.181 0.000 0.639 474 A CB 0.101 19.272 19.000 0.286 0.000 0.839 474 A HN 0.879 nan 8.150 nan 0.000 0.449 475 T N -3.906 110.743 114.554 0.159 0.000 2.868 475 T HA 0.574 4.926 4.350 0.003 0.000 0.306 475 T C -1.266 173.551 174.700 0.195 0.000 1.224 475 T CA -0.617 61.560 62.100 0.129 0.000 1.012 475 T CB 1.647 70.551 68.868 0.060 0.000 1.221 475 T HN 0.252 nan 8.240 nan 0.000 0.499 476 V N 3.430 123.460 119.914 0.194 0.000 2.357 476 V HA 0.401 4.523 4.120 0.003 0.000 0.284 476 V C 1.080 177.303 176.094 0.215 0.000 1.018 476 V CA -0.713 61.747 62.300 0.267 0.000 0.841 476 V CB 0.848 32.872 31.823 0.335 0.000 0.991 476 V HN 0.949 nan 8.190 nan 0.000 0.437 477 I N 2.890 123.591 120.570 0.218 0.000 2.277 477 I HA 0.037 4.209 4.170 0.003 0.000 0.243 477 I C 0.743 176.956 176.117 0.160 0.000 1.094 477 I CA 1.196 62.587 61.300 0.153 0.000 1.393 477 I CB 0.203 38.277 38.000 0.125 0.000 1.078 477 I HN 0.877 nan 8.210 nan 0.000 0.417 478 D N -1.490 119.038 120.400 0.213 0.000 2.851 478 D HA 0.048 4.690 4.640 0.003 0.000 0.339 478 D C 0.311 176.729 176.300 0.197 0.000 1.347 478 D CA -0.756 53.347 54.000 0.172 0.000 0.888 478 D CB 0.276 41.151 40.800 0.124 0.000 1.431 478 D HN -0.019 nan 8.370 nan 0.000 0.509 479 K N -0.945 119.492 120.400 0.062 0.000 2.360 479 K HA -0.064 4.258 4.320 0.003 0.000 0.201 479 K C -0.232 176.250 176.600 -0.197 0.000 1.046 479 K CA 1.297 57.506 56.287 -0.131 0.000 0.945 479 K CB -0.188 32.219 32.500 -0.154 0.000 0.750 479 K HN 0.248 nan 8.250 nan 0.000 0.464 480 D N -0.096 120.351 120.400 0.079 0.000 2.433 480 D HA 0.111 4.753 4.640 0.003 0.000 0.211 480 D C -0.697 175.771 176.300 0.280 0.000 1.114 480 D CA 0.037 54.112 54.000 0.126 0.000 0.837 480 D CB 0.384 41.230 40.800 0.076 0.000 0.984 480 D HN 0.236 nan 8.370 nan 0.000 0.505 481 N N -0.018 118.931 118.700 0.415 0.000 2.287 481 N HA 0.482 5.224 4.740 0.003 0.000 0.289 481 N C -1.157 174.533 175.510 0.301 0.000 1.066 481 N CA -0.794 52.417 53.050 0.268 0.000 0.841 481 N CB 2.125 40.731 38.487 0.198 0.000 1.599 481 N HN -0.096 nan 8.380 nan 0.000 0.476 482 F N -1.682 118.282 119.950 0.024 0.000 2.664 482 F HA 0.852 5.380 4.527 0.002 0.000 0.317 482 F C -0.494 175.322 175.800 0.026 0.000 1.108 482 F CA -0.982 57.008 58.000 -0.017 0.000 0.957 482 F CB 1.202 40.085 39.000 -0.195 0.000 1.365 482 F HN 0.340 nan 8.300 nan 0.000 0.475 483 T N -0.094 114.596 114.554 0.226 0.000 2.924 483 T HA 0.799 5.151 4.350 0.003 0.000 0.291 483 T C -0.866 174.007 174.700 0.287 0.000 1.045 483 T CA -0.386 61.797 62.100 0.137 0.000 1.015 483 T CB 1.535 70.473 68.868 0.118 0.000 1.103 483 T HN 1.566 nan 8.240 nan 0.000 0.496 484 V N 0.267 120.294 119.914 0.187 0.000 2.914 484 V HA 0.820 4.942 4.120 0.003 0.000 0.314 484 V C -0.715 175.427 176.094 0.079 0.000 1.084 484 V CA -1.343 61.056 62.300 0.166 0.000 0.963 484 V CB 1.460 33.342 31.823 0.099 0.000 1.025 484 V HN 0.979 nan 8.190 nan 0.000 0.432 485 L N 4.260 125.475 121.223 -0.012 0.000 2.260 485 L HA 0.669 5.011 4.340 0.003 0.000 0.289 485 L C 0.657 177.373 176.870 -0.258 0.000 1.057 485 L CA 0.719 55.359 54.840 -0.333 0.000 0.811 485 L CB 0.889 42.771 42.059 -0.296 0.000 1.184 485 L HN 1.179 nan 8.230 nan 0.000 0.429 486 T N 2.486 116.858 114.554 -0.303 0.000 2.874 486 T HA 0.533 4.885 4.350 0.003 0.000 0.281 486 T C -1.955 172.627 174.700 -0.197 0.000 0.994 486 T CA -1.546 60.424 62.100 -0.217 0.000 1.015 486 T CB 1.169 69.915 68.868 -0.204 0.000 1.028 486 T HN 0.556 nan 8.240 nan 0.000 0.523 487 P HA 0.200 nan 4.420 nan 0.000 0.249 487 P C -0.627 176.613 177.300 -0.100 0.000 1.229 487 P CA -0.021 63.014 63.100 -0.108 0.000 0.788 487 P CB -0.277 31.380 31.700 -0.073 0.000 1.072 488 N N -0.944 117.689 118.700 -0.112 0.000 2.934 488 N HA 0.393 5.135 4.740 0.003 0.000 0.253 488 N C -1.318 174.137 175.510 -0.092 0.000 1.466 488 N CA -0.946 52.051 53.050 -0.088 0.000 0.858 488 N CB 0.918 39.362 38.487 -0.071 0.000 1.459 488 N HN -0.124 nan 8.380 nan 0.000 0.532 489 Q N -1.213 118.546 119.800 -0.068 0.000 2.416 489 Q HA 0.670 5.012 4.340 0.003 0.000 0.281 489 Q C -1.581 174.391 176.000 -0.047 0.000 1.067 489 Q CA -0.941 54.826 55.803 -0.059 0.000 0.809 489 Q CB 2.003 30.714 28.738 -0.046 0.000 1.418 489 Q HN 0.551 nan 8.270 nan 0.000 0.411 490 Q N 0.218 119.992 119.800 -0.044 0.000 2.433 490 Q HA 0.373 4.715 4.340 0.003 0.000 0.279 490 Q C 0.134 176.116 176.000 -0.031 0.000 1.105 490 Q CA -0.261 55.519 55.803 -0.038 0.000 0.815 490 Q CB 2.218 30.929 28.738 -0.045 0.000 1.403 490 Q HN 0.877 nan 8.270 nan 0.000 0.435 491 T N -3.180 111.358 114.554 -0.026 0.000 3.085 491 T HA 0.086 4.438 4.350 0.003 0.000 0.263 491 T C 0.631 175.319 174.700 -0.021 0.000 1.127 491 T CA 0.470 62.557 62.100 -0.021 0.000 1.103 491 T CB -0.064 68.793 68.868 -0.018 0.000 0.921 491 T HN 0.466 nan 8.240 nan 0.000 0.510 492 S N 0.514 116.199 115.700 -0.026 0.000 2.566 492 S HA 0.557 5.029 4.470 0.003 0.000 0.298 492 S C -1.172 173.408 174.600 -0.032 0.000 1.083 492 S CA -1.066 57.118 58.200 -0.026 0.000 0.978 492 S CB 1.527 64.712 63.200 -0.025 0.000 1.073 492 S HN 0.066 nan 8.310 nan 0.000 0.491 493 D N 1.072 121.453 120.400 -0.031 0.000 2.443 493 D HA 0.360 5.002 4.640 0.003 0.000 0.239 493 D C -0.377 175.895 176.300 -0.046 0.000 1.136 493 D CA 0.357 54.334 54.000 -0.038 0.000 0.879 493 D CB 0.351 41.131 40.800 -0.033 0.000 1.195 493 D HN 0.472 nan 8.370 nan 0.000 0.443 494 L N 2.350 123.537 121.223 -0.060 0.000 2.346 494 L HA 0.470 4.812 4.340 0.003 0.000 0.274 494 L C 0.028 176.848 176.870 -0.084 0.000 1.007 494 L CA -0.805 53.991 54.840 -0.074 0.000 0.818 494 L CB 1.633 43.636 42.059 -0.093 0.000 1.284 494 L HN 0.232 nan 8.230 nan 0.000 0.424 495 N N 1.467 120.118 118.700 -0.082 0.000 2.578 495 N HA 0.099 4.840 4.740 0.003 0.000 0.282 495 N C -0.900 174.564 175.510 -0.077 0.000 1.119 495 N CA -0.485 52.516 53.050 -0.081 0.000 0.948 495 N CB 1.269 39.722 38.487 -0.056 0.000 1.546 495 N HN 0.638 nan 8.380 nan 0.000 0.525 496 N N 2.183 120.820 118.700 -0.104 0.000 2.322 496 N HA 0.127 4.869 4.740 0.003 0.000 0.216 496 N C -0.029 175.474 175.510 -0.010 0.000 1.144 496 N CA -0.303 52.697 53.050 -0.084 0.000 0.830 496 N CB -0.108 38.271 38.487 -0.180 0.000 1.034 496 N HN 0.514 nan 8.380 nan 0.000 0.484 497 A N -0.087 122.732 122.820 -0.002 0.000 2.584 497 A HA 0.414 4.736 4.320 0.003 0.000 0.239 497 A C 1.604 179.213 177.584 0.042 0.000 1.043 497 A CA 0.611 52.666 52.037 0.029 0.000 0.756 497 A CB -0.891 18.115 19.000 0.009 0.000 0.963 497 A HN 1.047 nan 8.150 nan 0.000 0.511 498 G N 1.752 110.591 108.800 0.066 0.000 2.184 498 G HA2 -0.251 3.711 3.960 0.003 0.000 0.264 498 G HA3 -0.251 3.711 3.960 0.003 0.000 0.264 498 G C 0.188 175.132 174.900 0.074 0.000 0.975 498 G CA 0.903 46.040 45.100 0.060 0.000 0.642 498 G HN 0.909 nan 8.290 nan 0.000 0.536 499 K N 0.592 121.054 120.400 0.104 0.000 2.182 499 K HA 0.442 4.764 4.320 0.003 0.000 0.262 499 K C -0.591 176.138 176.600 0.216 0.000 0.957 499 K CA -0.946 55.414 56.287 0.122 0.000 0.842 499 K CB 0.858 33.411 32.500 0.087 0.000 1.099 499 K HN 0.072 nan 8.250 nan 0.000 0.438 500 N N 3.431 122.218 118.700 0.146 0.000 2.472 500 N HA 0.286 5.027 4.740 0.003 0.000 0.277 500 N C -0.718 174.855 175.510 0.105 0.000 1.081 500 N CA -0.259 52.839 53.050 0.081 0.000 0.973 500 N CB 0.618 39.105 38.487 -0.001 0.000 1.105 500 N HN 0.584 nan 8.380 nan 0.000 0.470 501 W N 0.822 121.984 121.300 -0.230 0.000 3.039 501 W HA 0.479 5.140 4.660 0.002 0.000 0.354 501 W C -1.464 174.761 176.519 -0.490 0.000 1.206 501 W CA -0.640 56.538 57.345 -0.279 0.000 1.134 501 W CB 0.317 29.760 29.460 -0.028 0.000 1.493 501 W HN 0.399 nan 8.180 nan 0.000 0.591 502 H N 0.794 120.021 119.070 0.261 0.000 2.679 502 H HA 0.579 5.137 4.556 0.003 0.000 0.360 502 H C -0.546 174.834 175.328 0.087 0.000 1.105 502 H CA -0.781 55.270 56.048 0.005 0.000 1.196 502 H CB 2.853 32.689 29.762 0.124 0.000 1.636 502 H HN 0.252 nan 8.280 nan 0.000 0.531 503 M N 2.076 121.622 119.600 -0.091 0.000 2.472 503 M HA 0.644 5.126 4.480 0.003 0.000 0.331 503 M C -0.135 176.108 176.300 -0.094 0.000 1.170 503 M CA -0.286 54.956 55.300 -0.098 0.000 1.009 503 M CB 1.579 34.106 32.600 -0.122 0.000 1.672 503 M HN 0.866 nan 8.290 nan 0.000 0.453 504 G N 0.587 109.346 108.800 -0.067 0.000 2.921 504 G HA2 0.712 4.674 3.960 0.003 0.000 0.291 504 G HA3 0.712 4.674 3.960 0.003 0.000 0.291 504 G C -1.226 173.707 174.900 0.054 0.000 1.370 504 G CA -0.512 44.573 45.100 -0.026 0.000 0.847 504 G HN 0.672 nan 8.290 nan 0.000 0.532 505 T N -2.653 111.964 114.554 0.105 0.000 2.949 505 T HA 0.733 5.085 4.350 0.003 0.000 0.287 505 T C -0.390 174.427 174.700 0.195 0.000 1.034 505 T CA -0.660 61.540 62.100 0.167 0.000 1.018 505 T CB 1.778 70.685 68.868 0.065 0.000 1.135 505 T HN 1.226 nan 8.240 nan 0.000 0.532 506 S N -0.070 115.728 115.700 0.162 0.000 2.668 506 S HA 0.383 4.855 4.470 0.003 0.000 0.277 506 S C 0.036 174.631 174.600 -0.008 0.000 1.170 506 S CA -0.855 57.343 58.200 -0.003 0.000 0.994 506 S CB 0.756 63.722 63.200 -0.391 0.000 1.051 506 S HN 0.726 nan 8.310 nan 0.000 0.484 507 F N 4.620 124.504 119.950 -0.109 0.000 2.102 507 F HA -0.060 4.469 4.527 0.003 0.000 0.298 507 F C 2.131 177.808 175.800 -0.205 0.000 1.105 507 F CA 2.649 60.545 58.000 -0.173 0.000 1.239 507 F CB -0.339 38.611 39.000 -0.084 0.000 0.991 507 F HN 0.976 nan 8.300 nan 0.000 0.474 508 H N 0.249 119.298 119.070 -0.035 0.000 2.353 508 H HA -0.067 4.491 4.556 0.003 0.000 0.300 508 H C 1.587 176.762 175.328 -0.254 0.000 1.090 508 H CA 1.933 57.903 56.048 -0.131 0.000 1.327 508 H CB -0.091 29.641 29.762 -0.051 0.000 1.383 508 H HN 0.054 nan 8.280 nan 0.000 0.508 509 K N 0.450 120.608 120.400 -0.404 0.000 2.387 509 K HA 0.199 4.520 4.320 0.003 0.000 0.198 509 K C -0.186 176.263 176.600 -0.252 0.000 1.022 509 K CA 0.079 56.106 56.287 -0.433 0.000 1.128 509 K CB 0.817 32.957 32.500 -0.600 0.000 0.853 509 K HN 0.134 nan 8.250 nan 0.000 0.523 510 S N 2.424 117.944 115.700 -0.299 0.000 2.501 510 S HA 0.406 4.878 4.470 0.003 0.000 0.301 510 S C -2.468 171.891 174.600 -0.402 0.000 1.096 510 S CA -1.254 56.791 58.200 -0.259 0.000 1.063 510 S CB 2.084 65.144 63.200 -0.234 0.000 1.042 510 S HN 0.055 nan 8.310 nan 0.000 0.494 511 P HA 0.199 nan 4.420 nan 0.000 0.276 511 P C -1.004 176.078 177.300 -0.363 0.000 1.244 511 P CA -0.660 62.257 63.100 -0.305 0.000 0.801 511 P CB 0.460 32.063 31.700 -0.162 0.000 1.006 512 W N 1.198 122.280 121.300 -0.364 0.000 2.181 512 W HA 0.213 4.874 4.660 0.002 0.000 0.335 512 W C 1.488 177.817 176.519 -0.316 0.000 1.310 512 W CA -0.074 57.038 57.345 -0.387 0.000 1.226 512 W CB 0.186 29.296 29.460 -0.583 0.000 1.155 512 W HN 0.272 nan 8.180 nan 0.000 0.565 513 R N 3.450 123.972 120.500 0.036 0.000 2.254 513 R HA 0.250 4.592 4.340 0.003 0.000 0.318 513 R C -0.724 175.538 176.300 -0.065 0.000 1.031 513 R CA -0.427 55.669 56.100 -0.007 0.000 0.905 513 R CB 0.350 30.690 30.300 0.067 0.000 1.050 513 R HN 0.429 nan 8.270 nan 0.000 0.456 514 K N 3.225 123.523 120.400 -0.170 0.000 2.394 514 K HA 0.247 4.569 4.320 0.003 0.000 0.260 514 K C -1.150 175.434 176.600 -0.027 0.000 0.967 514 K CA -0.597 55.554 56.287 -0.226 0.000 0.855 514 K CB 2.309 34.476 32.500 -0.555 0.000 1.101 514 K HN 0.468 nan 8.250 nan 0.000 0.433 515 T N 1.849 116.460 114.554 0.095 0.000 2.788 515 T HA 0.066 4.418 4.350 0.003 0.000 0.296 515 T C -0.664 174.121 174.700 0.141 0.000 1.009 515 T CA -0.608 61.555 62.100 0.106 0.000 0.949 515 T CB 0.671 69.618 68.868 0.132 0.000 0.946 515 T HN 0.386 nan 8.240 nan 0.000 0.453 516 D N 3.020 123.485 120.400 0.108 0.000 2.358 516 D HA 0.103 4.745 4.640 0.003 0.000 0.258 516 D C 0.681 177.044 176.300 0.105 0.000 1.223 516 D CA -0.272 53.794 54.000 0.111 0.000 0.886 516 D CB 0.694 41.543 40.800 0.082 0.000 1.120 516 D HN 0.457 nan 8.370 nan 0.000 0.482 517 L N 3.122 124.409 121.223 0.106 0.000 2.640 517 L HA 0.305 4.647 4.340 0.003 0.000 0.230 517 L C 1.546 178.455 176.870 0.065 0.000 1.123 517 L CA -0.005 54.898 54.840 0.104 0.000 0.900 517 L CB -0.549 41.564 42.059 0.090 0.000 1.146 517 L HN 0.652 nan 8.230 nan 0.000 0.484 518 G N 1.278 110.110 108.800 0.054 0.000 2.645 518 G HA2 -0.318 3.643 3.960 0.003 0.000 0.246 518 G HA3 -0.318 3.643 3.960 0.003 0.000 0.246 518 G C -0.657 174.253 174.900 0.018 0.000 1.322 518 G CA -0.358 44.763 45.100 0.035 0.000 0.898 518 G HN 0.039 nan 8.290 nan 0.000 0.573 519 L N 1.108 122.336 121.223 0.008 0.000 2.385 519 L HA 0.534 4.875 4.340 0.003 0.000 0.285 519 L C 0.955 177.822 176.870 -0.005 0.000 1.125 519 L CA -0.446 54.392 54.840 -0.003 0.000 0.890 519 L CB -0.381 41.674 42.059 -0.007 0.000 1.251 519 L HN 0.417 nan 8.230 nan 0.000 0.445 520 I N 7.930 128.486 120.570 -0.024 0.000 2.742 520 I HA 0.049 4.221 4.170 0.003 0.000 0.287 520 I C -1.520 174.598 176.117 0.001 0.000 1.186 520 I CA -1.244 60.034 61.300 -0.037 0.000 1.417 520 I CB -0.013 37.886 38.000 -0.170 0.000 1.377 520 I HN 0.506 nan 8.210 nan 0.000 0.556 521 P HA 0.015 nan 4.420 nan 0.000 0.269 521 P C -0.021 177.321 177.300 0.069 0.000 1.215 521 P CA -0.015 63.108 63.100 0.038 0.000 0.780 521 P CB 0.743 32.465 31.700 0.037 0.000 0.898 522 S N -1.656 114.088 115.700 0.073 0.000 3.631 522 S HA -0.080 4.392 4.470 0.003 0.000 0.366 522 S C -0.016 174.681 174.600 0.161 0.000 0.993 522 S CA 0.565 58.831 58.200 0.110 0.000 1.167 522 S CB -1.723 61.556 63.200 0.130 0.000 0.909 522 S HN 0.429 nan 8.310 nan 0.000 0.478 523 V N 0.436 120.419 119.914 0.116 0.000 2.638 523 V HA 0.419 4.541 4.120 0.003 0.000 0.306 523 V C 0.990 177.100 176.094 0.028 0.000 1.052 523 V CA -0.479 61.907 62.300 0.144 0.000 0.885 523 V CB 2.219 34.134 31.823 0.153 0.000 0.999 523 V HN 0.469 nan 8.190 nan 0.000 0.424 524 T N 2.500 117.006 114.554 -0.080 0.000 3.004 524 T HA 0.242 4.594 4.350 0.003 0.000 0.243 524 T C 0.259 174.876 174.700 -0.139 0.000 1.020 524 T CA 0.542 62.535 62.100 -0.178 0.000 1.145 524 T CB 0.285 68.952 68.868 -0.335 0.000 0.876 524 T HN 0.680 nan 8.240 nan 0.000 0.449 525 E N 0.361 120.475 120.200 -0.144 0.000 2.343 525 E HA 0.523 4.875 4.350 0.003 0.000 0.278 525 E C -1.678 175.067 176.600 0.242 0.000 0.910 525 E CA -0.534 55.917 56.400 0.085 0.000 0.757 525 E CB 3.102 32.918 29.700 0.194 0.000 1.218 525 E HN -0.082 nan 8.360 nan 0.000 0.435 526 V N 2.125 122.219 119.914 0.299 0.000 2.439 526 V HA 0.403 4.525 4.120 0.003 0.000 0.282 526 V C -0.649 175.692 176.094 0.412 0.000 1.039 526 V CA -0.397 62.134 62.300 0.385 0.000 0.913 526 V CB 1.081 33.098 31.823 0.325 0.000 0.983 526 V HN 0.687 nan 8.190 nan 0.000 0.460 527 H N 2.762 122.019 119.070 0.312 0.000 3.099 527 H HA 0.562 5.120 4.556 0.003 0.000 0.342 527 H C -0.520 174.987 175.328 0.298 0.000 1.054 527 H CA 0.733 56.954 56.048 0.289 0.000 1.328 527 H CB 1.489 31.429 29.762 0.297 0.000 1.876 527 H HN 0.934 nan 8.280 nan 0.000 0.495 528 S N 2.980 118.643 115.700 -0.061 0.000 3.656 528 S HA -0.126 4.346 4.470 0.003 0.000 0.764 528 S C -1.573 173.198 174.600 0.285 0.000 1.134 528 S CA 0.217 58.463 58.200 0.077 0.000 1.138 528 S CB -0.643 62.657 63.200 0.167 0.000 0.596 528 S HN 0.782 nan 8.310 nan 0.000 0.459 529 F N 1.886 121.902 119.950 0.110 0.000 2.605 529 F HA 0.653 5.182 4.527 0.003 0.000 0.320 529 F C -0.503 175.371 175.800 0.123 0.000 1.159 529 F CA 0.419 58.481 58.000 0.104 0.000 0.999 529 F CB 1.493 40.495 39.000 0.003 0.000 1.258 529 F HN 0.968 nan 8.300 nan 0.000 0.464 530 A N 4.060 126.846 122.820 -0.057 0.000 2.340 530 A HA 0.580 4.901 4.320 0.003 0.000 0.297 530 A C -0.633 176.919 177.584 -0.053 0.000 1.195 530 A CA -0.592 51.486 52.037 0.069 0.000 0.769 530 A CB 0.679 19.758 19.000 0.133 0.000 1.163 530 A HN 0.645 nan 8.150 nan 0.000 0.472 531 T N 3.612 118.258 114.554 0.153 0.000 2.853 531 T HA 0.162 4.513 4.350 0.003 0.000 0.298 531 T C 1.298 176.055 174.700 0.096 0.000 0.978 531 T CA 0.048 62.266 62.100 0.198 0.000 1.152 531 T CB 0.233 69.290 68.868 0.316 0.000 0.914 531 T HN 0.451 nan 8.240 nan 0.000 0.539 532 I N 2.016 122.592 120.570 0.010 0.000 2.685 532 I HA 0.173 4.345 4.170 0.003 0.000 0.251 532 I C 1.026 177.148 176.117 0.009 0.000 1.102 532 I CA 0.891 62.039 61.300 -0.253 0.000 1.442 532 I CB -0.488 37.299 38.000 -0.354 0.000 1.194 532 I HN 0.738 nan 8.210 nan 0.000 0.448 533 D N -2.110 118.349 120.400 0.099 0.000 3.103 533 D HA 0.020 4.661 4.640 0.003 0.000 0.337 533 D C 0.295 176.680 176.300 0.142 0.000 1.356 533 D CA -0.529 53.550 54.000 0.132 0.000 0.951 533 D CB 0.115 40.981 40.800 0.110 0.000 1.438 533 D HN -0.233 nan 8.370 nan 0.000 0.562 534 N N -1.308 117.454 118.700 0.103 0.000 2.520 534 N HA -0.002 4.740 4.740 0.003 0.000 0.185 534 N C 0.290 175.828 175.510 0.046 0.000 1.068 534 N CA 0.923 54.011 53.050 0.063 0.000 0.911 534 N CB -0.051 38.443 38.487 0.011 0.000 0.961 534 N HN 0.289 nan 8.380 nan 0.000 0.446 535 N N -1.395 117.367 118.700 0.103 0.000 2.332 535 N HA 0.229 4.971 4.740 0.003 0.000 0.190 535 N C 0.468 176.100 175.510 0.204 0.000 1.117 535 N CA 0.601 53.737 53.050 0.143 0.000 0.883 535 N CB 1.317 39.852 38.487 0.079 0.000 1.089 535 N HN 0.204 nan 8.380 nan 0.000 0.480 536 G N -0.015 108.866 108.800 0.135 0.000 2.490 536 G HA2 0.525 4.487 3.960 0.003 0.000 0.308 536 G HA3 0.525 4.487 3.960 0.003 0.000 0.308 536 G C -1.981 172.950 174.900 0.052 0.000 1.286 536 G CA -0.692 44.364 45.100 -0.073 0.000 0.825 536 G HN 0.075 nan 8.290 nan 0.000 0.479 537 F N -2.448 117.505 119.950 0.004 0.000 2.773 537 F HA 0.896 5.425 4.527 0.004 0.000 0.314 537 F C -0.399 175.414 175.800 0.022 0.000 1.160 537 F CA -1.300 56.600 58.000 -0.167 0.000 0.920 537 F CB 1.087 39.709 39.000 -0.630 0.000 1.323 537 F HN 1.167 nan 8.300 nan 0.000 0.457 538 A N 1.766 124.688 122.820 0.170 0.000 2.356 538 A HA 0.927 5.249 4.320 0.003 0.000 0.323 538 A C -1.193 176.514 177.584 0.204 0.000 1.119 538 A CA -0.937 51.264 52.037 0.275 0.000 0.790 538 A CB 1.569 20.674 19.000 0.174 0.000 1.273 538 A HN 0.813 nan 8.150 nan 0.000 0.452 539 M N 1.418 121.247 119.600 0.382 0.000 2.395 539 M HA 0.465 4.947 4.480 0.003 0.000 0.307 539 M C 0.512 177.054 176.300 0.404 0.000 1.091 539 M CA -0.429 55.093 55.300 0.370 0.000 0.919 539 M CB 2.321 35.198 32.600 0.461 0.000 1.662 539 M HN 0.880 nan 8.290 nan 0.000 0.440 540 G N 1.590 110.613 108.800 0.371 0.000 2.572 540 G HA2 0.504 4.465 3.960 0.003 0.000 0.261 540 G HA3 0.504 4.465 3.960 0.003 0.000 0.261 540 G C -1.457 173.702 174.900 0.431 0.000 1.197 540 G CA -0.003 45.312 45.100 0.359 0.000 0.870 540 G HN 0.795 nan 8.290 nan 0.000 0.548 541 Y N -0.974 119.415 120.300 0.147 0.000 2.656 541 Y HA 0.697 5.249 4.550 0.003 0.000 0.334 541 Y C -0.862 175.129 175.900 0.153 0.000 1.179 541 Y CA -1.523 56.666 58.100 0.148 0.000 1.050 541 Y CB 1.012 39.508 38.460 0.059 0.000 1.308 541 Y HN 1.046 nan 8.280 nan 0.000 0.456 542 H N -0.102 118.943 119.070 -0.041 0.000 2.980 542 H HA 0.619 5.177 4.556 0.003 0.000 0.367 542 H C -1.786 173.619 175.328 0.129 0.000 1.206 542 H CA -1.034 54.912 56.048 -0.170 0.000 1.126 542 H CB 2.194 31.886 29.762 -0.117 0.000 1.838 542 H HN 0.740 nan 8.280 nan 0.000 0.552 543 Q N 1.529 121.356 119.800 0.045 0.000 2.325 543 Q HA 0.433 4.775 4.340 0.003 0.000 0.270 543 Q C -0.579 175.504 176.000 0.139 0.000 1.020 543 Q CA -0.247 55.580 55.803 0.041 0.000 0.785 543 Q CB 1.681 30.504 28.738 0.141 0.000 1.259 543 Q HN 1.124 nan 8.270 nan 0.000 0.452 544 G N 3.305 112.184 108.800 0.133 0.000 4.008 544 G HA2 0.069 4.031 3.960 0.003 0.000 0.278 544 G HA3 0.069 4.031 3.960 0.003 0.000 0.278 544 G C 0.236 175.199 174.900 0.105 0.000 1.021 544 G CA -0.122 45.093 45.100 0.192 0.000 0.833 544 G HN 0.571 nan 8.290 nan 0.000 0.454 545 D N 0.386 120.822 120.400 0.060 0.000 2.183 545 D HA 0.038 4.680 4.640 0.003 0.000 0.205 545 D C 1.344 177.663 176.300 0.031 0.000 0.962 545 D CA 1.119 55.140 54.000 0.035 0.000 0.849 545 D CB 0.844 41.651 40.800 0.010 0.000 0.978 545 D HN 0.357 nan 8.370 nan 0.000 0.488 546 V N -1.979 117.956 119.914 0.035 0.000 2.914 546 V HA 0.793 4.915 4.120 0.003 0.000 0.314 546 V C -0.375 175.741 176.094 0.036 0.000 1.084 546 V CA -1.410 60.908 62.300 0.030 0.000 0.963 546 V CB 1.687 33.525 31.823 0.024 0.000 1.025 546 V HN 0.040 nan 8.190 nan 0.000 0.432 547 A N 4.227 127.064 122.820 0.028 0.000 2.425 547 A HA 0.725 5.047 4.320 0.003 0.000 0.249 547 A C -1.546 176.055 177.584 0.029 0.000 1.084 547 A CA -0.812 51.241 52.037 0.026 0.000 0.781 547 A CB -0.580 18.430 19.000 0.018 0.000 1.019 547 A HN 0.952 nan 8.150 nan 0.000 0.490 548 P HA 0.360 nan 4.420 nan 0.000 0.284 548 P C -0.565 176.761 177.300 0.043 0.000 1.258 548 P CA -0.640 62.478 63.100 0.030 0.000 0.824 548 P CB 0.749 32.465 31.700 0.026 0.000 1.038 549 R N 1.061 121.585 120.500 0.040 0.000 2.679 549 R HA 0.185 4.527 4.340 0.003 0.000 0.268 549 R C 0.417 176.744 176.300 0.044 0.000 1.044 549 R CA 0.257 56.389 56.100 0.053 0.000 1.105 549 R CB 0.380 30.706 30.300 0.044 0.000 0.989 549 R HN 0.522 nan 8.270 nan 0.000 0.447 550 E N 0.953 121.186 120.200 0.056 0.000 2.227 550 E HA 0.447 4.799 4.350 0.003 0.000 0.268 550 E C -1.186 175.335 176.600 -0.131 0.000 0.907 550 E CA -0.837 55.570 56.400 0.011 0.000 0.786 550 E CB 2.486 32.269 29.700 0.139 0.000 1.191 550 E HN 0.138 nan 8.360 nan 0.000 0.411 551 V N 1.195 120.954 119.914 -0.258 0.000 2.808 551 V HA 0.800 4.921 4.120 0.003 0.000 0.308 551 V C 0.217 175.998 176.094 -0.522 0.000 1.099 551 V CA -0.369 61.678 62.300 -0.421 0.000 0.920 551 V CB 1.696 33.376 31.823 -0.238 0.000 1.014 551 V HN 0.937 nan 8.190 nan 0.000 0.425 552 G N 3.260 111.622 108.800 -0.729 0.000 2.485 552 G HA2 0.623 4.585 3.960 0.003 0.000 0.182 552 G HA3 0.623 4.585 3.960 0.003 0.000 0.182 552 G C -1.902 172.942 174.900 -0.094 0.000 1.172 552 G CA 0.128 45.044 45.100 -0.307 0.000 0.996 552 G HN 1.304 nan 8.290 nan 0.000 0.496 553 L N -2.797 118.532 121.223 0.176 0.000 2.469 553 L HA 0.937 5.279 4.340 0.003 0.000 0.256 553 L C -1.612 175.279 176.870 0.036 0.000 1.006 553 L CA -1.168 53.800 54.840 0.212 0.000 0.832 553 L CB 1.583 43.804 42.059 0.270 0.000 1.421 553 L HN 0.376 nan 8.230 nan 0.000 0.410 554 F N 1.481 121.630 119.950 0.332 0.000 2.426 554 F HA 0.521 5.049 4.527 0.002 0.000 0.348 554 F C -0.641 175.290 175.800 0.219 0.000 1.124 554 F CA -0.385 57.712 58.000 0.161 0.000 1.008 554 F CB 1.502 40.469 39.000 -0.055 0.000 1.139 554 F HN 0.490 nan 8.300 nan 0.000 0.452 555 Y N 4.456 124.845 120.300 0.149 0.000 2.335 555 Y HA 0.485 5.037 4.550 0.002 0.000 0.339 555 Y C -1.437 174.392 175.900 -0.118 0.000 0.987 555 Y CA -2.192 55.932 58.100 0.040 0.000 1.140 555 Y CB 0.418 38.874 38.460 -0.007 0.000 1.173 555 Y HN 0.443 nan 8.280 nan 0.000 0.486 556 F N 9.317 129.006 119.950 -0.436 0.000 2.303 556 F HA 0.345 4.873 4.527 0.003 0.000 0.368 556 F C -1.666 173.563 175.800 -0.952 0.000 1.105 556 F CA -1.959 55.642 58.000 -0.665 0.000 1.153 556 F CB 1.071 39.549 39.000 -0.870 0.000 1.362 556 F HN 0.472 nan 8.300 nan 0.000 0.511 557 P HA -0.106 nan 4.420 nan 0.000 0.220 557 P C 0.014 177.137 177.300 -0.294 0.000 1.152 557 P CA 1.229 63.834 63.100 -0.826 0.000 0.812 557 P CB 0.367 31.688 31.700 -0.632 0.000 0.792 558 D N -1.242 119.041 120.400 -0.195 0.000 2.405 558 D HA 0.353 4.995 4.640 0.003 0.000 0.264 558 D C 0.655 176.975 176.300 0.034 0.000 1.240 558 D CA -0.617 53.371 54.000 -0.020 0.000 0.893 558 D CB 0.331 41.140 40.800 0.014 0.000 1.198 558 D HN -0.159 nan 8.370 nan 0.000 0.514 559 A N 2.185 125.002 122.820 -0.005 0.000 2.119 559 A HA 0.013 4.335 4.320 0.003 0.000 0.217 559 A C 1.422 179.095 177.584 0.148 0.000 1.153 559 A CA 0.648 52.660 52.037 -0.042 0.000 0.692 559 A CB -0.421 18.302 19.000 -0.462 0.000 0.799 559 A HN 0.467 nan 8.150 nan 0.000 0.458 560 F N 0.103 120.202 119.950 0.248 0.000 2.118 560 F HA -0.032 4.497 4.527 0.003 0.000 0.293 560 F C 2.172 178.083 175.800 0.185 0.000 1.102 560 F CA 1.890 60.112 58.000 0.371 0.000 1.247 560 F CB -0.511 38.706 39.000 0.361 0.000 1.017 560 F HN 0.220 nan 8.300 nan 0.000 0.475 561 N N -1.328 117.546 118.700 0.289 0.000 2.333 561 N HA -0.028 4.714 4.740 0.003 0.000 0.178 561 N C -0.056 175.495 175.510 0.067 0.000 1.018 561 N CA 0.972 54.103 53.050 0.134 0.000 0.882 561 N CB 0.101 38.654 38.487 0.110 0.000 0.984 561 N HN -0.056 nan 8.380 nan 0.000 0.434 562 S N 0.517 116.264 115.700 0.079 0.000 2.235 562 S HA 0.201 4.673 4.470 0.003 0.000 0.152 562 S C -2.168 172.491 174.600 0.097 0.000 1.649 562 S CA -0.886 57.345 58.200 0.051 0.000 1.277 562 S CB 1.209 64.416 63.200 0.012 0.000 1.299 562 S HN 0.167 nan 8.310 nan 0.000 0.388 563 P HA -0.090 nan 4.420 nan 0.000 0.225 563 P C 1.282 178.777 177.300 0.324 0.000 1.148 563 P CA 0.944 64.174 63.100 0.217 0.000 0.779 563 P CB -0.036 31.775 31.700 0.184 0.000 0.780 564 S N -2.304 113.520 115.700 0.207 0.000 2.558 564 S HA 0.038 4.509 4.470 0.003 0.000 0.217 564 S C 0.847 175.520 174.600 0.122 0.000 0.975 564 S CA -0.294 58.031 58.200 0.207 0.000 0.912 564 S CB -0.937 62.322 63.200 0.099 0.000 0.776 564 S HN -0.000 nan 8.310 nan 0.000 0.526 565 N N 1.457 120.183 118.700 0.044 0.000 2.426 565 N HA 0.471 5.213 4.740 0.003 0.000 0.257 565 N C -1.031 174.300 175.510 -0.298 0.000 1.002 565 N CA -0.724 52.222 53.050 -0.174 0.000 0.942 565 N CB 0.561 38.962 38.487 -0.143 0.000 1.112 565 N HN 0.522 nan 8.380 nan 0.000 0.499 566 Y N 0.468 120.465 120.300 -0.504 0.000 2.625 566 Y HA 0.710 5.262 4.550 0.004 0.000 0.338 566 Y C -1.478 174.205 175.900 -0.362 0.000 1.123 566 Y CA -1.387 56.271 58.100 -0.736 0.000 1.046 566 Y CB 0.765 38.314 38.460 -1.518 0.000 1.299 566 Y HN 0.105 nan 8.280 nan 0.000 0.464 567 V N 2.787 122.668 119.914 -0.055 0.000 2.604 567 V HA 0.566 4.688 4.120 0.003 0.000 0.305 567 V C -0.777 175.490 176.094 0.288 0.000 1.043 567 V CA -0.973 61.362 62.300 0.059 0.000 0.888 567 V CB 1.682 33.521 31.823 0.026 0.000 0.995 567 V HN 0.946 nan 8.190 nan 0.000 0.429 568 R N 6.159 126.836 120.500 0.295 0.000 2.265 568 R HA 0.530 4.872 4.340 0.003 0.000 0.314 568 R C -0.774 175.634 176.300 0.180 0.000 1.053 568 R CA -0.513 55.745 56.100 0.265 0.000 0.931 568 R CB 0.533 30.998 30.300 0.276 0.000 1.024 568 R HN 0.681 nan 8.270 nan 0.000 0.457 569 R N 4.344 124.957 120.500 0.188 0.000 2.483 569 R HA 0.194 4.535 4.340 0.003 0.000 0.303 569 R C -0.829 175.637 176.300 0.277 0.000 0.987 569 R CA -0.743 55.491 56.100 0.224 0.000 0.881 569 R CB 2.255 32.681 30.300 0.210 0.000 1.177 569 R HN 0.686 nan 8.270 nan 0.000 0.451 570 Q N 2.405 122.355 119.800 0.249 0.000 2.227 570 Q HA 0.429 4.771 4.340 0.003 0.000 0.245 570 Q C 0.831 176.918 176.000 0.145 0.000 0.926 570 Q CA -0.684 55.206 55.803 0.146 0.000 0.895 570 Q CB 2.026 30.827 28.738 0.105 0.000 1.230 570 Q HN 0.568 nan 8.270 nan 0.000 0.450 571 I N -1.503 118.925 120.570 -0.236 0.000 3.138 571 I HA 0.315 4.487 4.170 0.003 0.000 0.288 571 I C -2.246 173.707 176.117 -0.272 0.000 1.148 571 I CA -2.293 58.574 61.300 -0.721 0.000 1.315 571 I CB -0.055 37.255 38.000 -1.149 0.000 1.426 571 I HN 0.311 nan 8.210 nan 0.000 0.615 572 P HA 0.086 nan 4.420 nan 0.000 0.266 572 P C 0.256 177.597 177.300 0.069 0.000 1.195 572 P CA 0.065 63.214 63.100 0.082 0.000 0.768 572 P CB 0.810 32.662 31.700 0.254 0.000 0.838 573 S N 2.089 117.816 115.700 0.045 0.000 2.387 573 S HA -0.235 4.236 4.470 0.003 0.000 0.230 573 S C 1.542 176.121 174.600 -0.035 0.000 1.035 573 S CA 1.768 59.972 58.200 0.007 0.000 1.014 573 S CB -0.703 62.503 63.200 0.010 0.000 0.836 573 S HN 0.731 nan 8.310 nan 0.000 0.466 574 E N -0.074 120.073 120.200 -0.088 0.000 2.338 574 E HA -0.157 4.195 4.350 0.003 0.000 0.197 574 E C 0.827 177.203 176.600 -0.373 0.000 1.007 574 E CA 1.037 57.281 56.400 -0.259 0.000 0.849 574 E CB -0.314 29.160 29.700 -0.376 0.000 0.774 574 E HN 0.660 nan 8.360 nan 0.000 0.506 575 Y N 0.683 120.968 120.300 -0.025 0.000 2.458 575 Y HA 0.269 4.821 4.550 0.003 0.000 0.256 575 Y C 1.410 177.274 175.900 -0.060 0.000 1.159 575 Y CA -0.085 58.005 58.100 -0.016 0.000 1.261 575 Y CB 0.595 39.090 38.460 0.059 0.000 1.119 575 Y HN 0.059 nan 8.280 nan 0.000 0.524 576 E N 0.282 120.498 120.200 0.026 0.000 2.170 576 E HA 0.013 4.364 4.350 0.003 0.000 0.191 576 E C -1.805 174.789 176.600 -0.010 0.000 0.981 576 E CA -0.332 56.060 56.400 -0.013 0.000 0.830 576 E CB -0.781 28.903 29.700 -0.027 0.000 0.775 576 E HN 0.240 nan 8.360 nan 0.000 0.470 577 P HA -0.025 nan 4.420 nan 0.000 0.268 577 P C -0.810 176.482 177.300 -0.014 0.000 1.205 577 P CA 0.524 63.614 63.100 -0.017 0.000 0.771 577 P CB 0.343 32.023 31.700 -0.032 0.000 0.858 578 D N -0.976 119.416 120.400 -0.013 0.000 2.751 578 D HA -0.180 4.462 4.640 0.003 0.000 0.233 578 D C -0.169 176.117 176.300 -0.023 0.000 1.149 578 D CA 1.390 55.380 54.000 -0.017 0.000 0.682 578 D CB -1.332 39.451 40.800 -0.028 0.000 1.068 578 D HN 0.493 nan 8.370 nan 0.000 0.429 579 A N -0.171 122.629 122.820 -0.035 0.000 2.435 579 A HA 0.818 5.140 4.320 0.003 0.000 0.304 579 A C 0.120 177.608 177.584 -0.159 0.000 1.064 579 A CA 0.281 52.281 52.037 -0.062 0.000 0.727 579 A CB 2.290 21.275 19.000 -0.025 0.000 1.284 579 A HN 0.458 nan 8.150 nan 0.000 0.415 580 S N 0.305 115.852 115.700 -0.254 0.000 2.672 580 S HA 0.619 5.090 4.470 0.003 0.000 0.271 580 S C -0.706 173.663 174.600 -0.385 0.000 1.171 580 S CA -0.267 57.566 58.200 -0.612 0.000 0.817 580 S CB 0.428 63.058 63.200 -0.949 0.000 1.150 580 S HN 1.062 nan 8.310 nan 0.000 0.478 581 E N 1.035 120.990 120.200 -0.408 0.000 2.197 581 E HA -0.125 4.227 4.350 0.003 0.000 0.184 581 E C -2.389 174.102 176.600 -0.180 0.000 1.439 581 E CA 0.625 56.772 56.400 -0.421 0.000 0.688 581 E CB -1.393 27.925 29.700 -0.636 0.000 1.090 581 E HN 0.541 nan 8.360 nan 0.000 0.341 582 P HA 0.036 nan 4.420 nan 0.000 0.276 582 P C -0.074 177.518 177.300 0.487 0.000 1.230 582 P CA -0.282 62.959 63.100 0.234 0.000 0.776 582 P CB 0.886 32.674 31.700 0.146 0.000 0.888 583 C N 5.009 124.610 119.300 0.502 0.000 2.330 583 C HA 0.599 5.061 4.460 0.003 0.000 0.344 583 C C 0.909 176.262 174.990 0.604 0.000 1.273 583 C CA -0.221 59.126 59.018 0.547 0.000 1.879 583 C CB -1.079 27.024 27.740 0.605 0.000 2.376 583 C HN 0.485 nan 8.230 nan 0.000 0.534 584 I N 1.476 122.321 120.570 0.458 0.000 2.545 584 I HA 0.780 4.952 4.170 0.003 0.000 0.292 584 I C -0.806 175.517 176.117 0.344 0.000 1.040 584 I CA -0.506 61.086 61.300 0.487 0.000 1.068 584 I CB 1.614 39.853 38.000 0.398 0.000 1.251 584 I HN 0.295 nan 8.210 nan 0.000 0.424 585 K N 3.939 124.622 120.400 0.472 0.000 2.512 585 K HA 0.449 4.771 4.320 0.003 0.000 0.263 585 K C -2.039 174.853 176.600 0.486 0.000 0.966 585 K CA -0.812 55.664 56.287 0.315 0.000 0.851 585 K CB 2.775 35.343 32.500 0.113 0.000 1.395 585 K HN 0.728 nan 8.250 nan 0.000 0.440 586 Y N 1.283 121.600 120.300 0.030 0.000 2.331 586 Y HA 0.465 5.017 4.550 0.003 0.000 0.334 586 Y C -1.635 174.183 175.900 -0.136 0.000 0.960 586 Y CA -0.684 57.450 58.100 0.056 0.000 1.130 586 Y CB 1.028 39.496 38.460 0.013 0.000 1.164 586 Y HN 0.497 nan 8.280 nan 0.000 0.458 587 Y N 4.162 124.446 120.300 -0.026 0.000 2.386 587 Y HA 0.252 4.804 4.550 0.003 0.000 0.334 587 Y C -0.318 175.472 175.900 -0.184 0.000 1.002 587 Y CA -1.476 56.618 58.100 -0.011 0.000 1.068 587 Y CB 1.570 40.154 38.460 0.207 0.000 1.203 587 Y HN 0.634 nan 8.280 nan 0.000 0.443 588 D N 2.899 123.266 120.400 -0.055 0.000 2.686 588 D HA -0.191 4.451 4.640 0.003 0.000 0.235 588 D C 1.252 177.440 176.300 -0.186 0.000 1.160 588 D CA 2.003 55.965 54.000 -0.064 0.000 0.645 588 D CB -0.968 39.860 40.800 0.047 0.000 1.039 588 D HN 1.159 nan 8.370 nan 0.000 0.423 589 G N -2.167 106.353 108.800 -0.466 0.000 2.162 589 G HA2 -0.292 3.670 3.960 0.003 0.000 0.260 589 G HA3 -0.292 3.670 3.960 0.003 0.000 0.260 589 G C 0.311 175.011 174.900 -0.334 0.000 0.976 589 G CA 0.325 45.210 45.100 -0.359 0.000 0.655 589 G HN 0.658 nan 8.290 nan 0.000 0.533 590 V N 1.885 121.535 119.914 -0.441 0.000 2.448 590 V HA 0.642 4.764 4.120 0.003 0.000 0.295 590 V C 0.279 176.229 176.094 -0.240 0.000 1.025 590 V CA -1.141 60.957 62.300 -0.337 0.000 0.859 590 V CB 1.894 33.467 31.823 -0.417 0.000 0.988 590 V HN 0.289 nan 8.190 nan 0.000 0.431 591 L N 6.408 127.601 121.223 -0.051 0.000 2.260 591 L HA 0.539 4.881 4.340 0.003 0.000 0.289 591 L C -1.158 175.791 176.870 0.130 0.000 1.057 591 L CA 0.041 55.011 54.840 0.216 0.000 0.811 591 L CB 0.604 42.781 42.059 0.197 0.000 1.184 591 L HN 0.600 nan 8.230 nan 0.000 0.429 592 Y N 5.394 126.011 120.300 0.528 0.000 2.387 592 Y HA 0.588 5.140 4.550 0.004 0.000 0.336 592 Y C 0.025 176.294 175.900 0.615 0.000 1.067 592 Y CA -0.579 57.851 58.100 0.550 0.000 1.114 592 Y CB 1.985 40.761 38.460 0.527 0.000 1.208 592 Y HN 0.522 nan 8.280 nan 0.000 0.458 593 L N 4.869 126.461 121.223 0.615 0.000 2.438 593 L HA 0.688 5.030 4.340 0.003 0.000 0.270 593 L C -1.748 175.325 176.870 0.338 0.000 0.972 593 L CA -0.465 54.660 54.840 0.474 0.000 0.831 593 L CB 1.325 43.557 42.059 0.288 0.000 1.273 593 L HN 0.630 nan 8.230 nan 0.000 0.405 594 I N 3.652 124.430 120.570 0.347 0.000 2.466 594 I HA 0.364 4.536 4.170 0.003 0.000 0.289 594 I C 0.224 176.498 176.117 0.262 0.000 1.026 594 I CA -0.557 60.906 61.300 0.272 0.000 1.078 594 I CB 2.305 40.447 38.000 0.238 0.000 1.249 594 I HN 0.611 nan 8.210 nan 0.000 0.429 595 T N 2.677 117.353 114.554 0.203 0.000 2.899 595 T HA 0.405 4.757 4.350 0.003 0.000 0.284 595 T C -0.064 174.688 174.700 0.087 0.000 1.004 595 T CA -0.760 61.411 62.100 0.118 0.000 1.043 595 T CB 1.710 70.627 68.868 0.081 0.000 1.013 595 T HN 0.661 nan 8.240 nan 0.000 0.518 596 R N 0.593 121.103 120.500 0.016 0.000 2.297 596 R HA 0.545 4.887 4.340 0.003 0.000 0.308 596 R C 0.386 176.666 176.300 -0.034 0.000 1.029 596 R CA -0.556 55.532 56.100 -0.020 0.000 0.929 596 R CB 0.403 30.676 30.300 -0.045 0.000 1.046 596 R HN 0.921 nan 8.270 nan 0.000 0.461 597 G N 0.865 109.643 108.800 -0.037 0.000 2.420 597 G HA2 0.185 4.147 3.960 0.003 0.000 0.284 597 G HA3 0.185 4.147 3.960 0.003 0.000 0.284 597 G C 0.691 175.596 174.900 0.009 0.000 1.177 597 G CA -0.375 44.709 45.100 -0.025 0.000 0.841 597 G HN 0.780 nan 8.290 nan 0.000 0.527 598 T N -1.441 113.120 114.554 0.012 0.000 3.040 598 T HA 0.299 4.651 4.350 0.003 0.000 0.250 598 T C 0.864 175.610 174.700 0.076 0.000 1.058 598 T CA -0.072 62.078 62.100 0.083 0.000 0.988 598 T CB 0.216 69.111 68.868 0.045 0.000 0.993 598 T HN 0.428 nan 8.240 nan 0.000 0.519 599 R N -0.317 120.136 120.500 -0.078 0.000 2.564 599 R HA 0.555 4.897 4.340 0.003 0.000 0.284 599 R C 0.946 176.921 176.300 -0.541 0.000 1.031 599 R CA -0.639 55.331 56.100 -0.216 0.000 0.904 599 R CB 1.659 31.881 30.300 -0.129 0.000 1.199 599 R HN 0.137 nan 8.270 nan 0.000 0.443 600 G N 0.927 109.148 108.800 -0.966 0.000 2.650 600 G HA2 -0.179 3.783 3.960 0.003 0.000 0.214 600 G HA3 -0.179 3.783 3.960 0.003 0.000 0.214 600 G C 0.525 175.113 174.900 -0.519 0.000 1.136 600 G CA 0.467 44.788 45.100 -1.298 0.000 0.789 600 G HN 0.706 nan 8.290 nan 0.000 0.536 601 D N -0.956 119.247 120.400 -0.327 0.000 2.402 601 D HA 0.137 4.779 4.640 0.003 0.000 0.216 601 D C 0.743 176.960 176.300 -0.137 0.000 1.128 601 D CA -0.233 53.657 54.000 -0.183 0.000 0.833 601 D CB 0.551 41.275 40.800 -0.128 0.000 0.971 601 D HN -0.007 nan 8.370 nan 0.000 0.503 602 R N 0.201 120.609 120.500 -0.154 0.000 2.808 602 R HA 0.436 4.778 4.340 0.003 0.000 0.272 602 R C -0.111 176.128 176.300 -0.101 0.000 0.995 602 R CA -0.969 55.068 56.100 -0.106 0.000 0.917 602 R CB 1.445 31.695 30.300 -0.085 0.000 1.217 602 R HN 0.023 nan 8.270 nan 0.000 0.471 603 L N 1.276 122.456 121.223 -0.072 0.000 2.593 603 L HA 0.046 4.388 4.340 0.003 0.000 0.287 603 L C 1.357 178.206 176.870 -0.034 0.000 1.243 603 L CA 0.539 55.349 54.840 -0.050 0.000 0.890 603 L CB -0.080 41.953 42.059 -0.045 0.000 1.134 603 L HN 0.779 nan 8.230 nan 0.000 0.502 604 G N 1.682 110.473 108.800 -0.015 0.000 3.099 604 G HA2 0.283 4.245 3.960 0.003 0.000 0.151 604 G HA3 0.283 4.245 3.960 0.003 0.000 0.151 604 G C -0.453 174.484 174.900 0.061 0.000 1.265 604 G CA -0.506 44.587 45.100 -0.011 0.000 0.981 604 G HN 0.545 nan 8.290 nan 0.000 0.601 605 S N 0.108 115.845 115.700 0.061 0.000 2.599 605 S HA 0.334 4.806 4.470 0.003 0.000 0.303 605 S C 0.482 175.285 174.600 0.338 0.000 1.267 605 S CA 0.516 58.822 58.200 0.177 0.000 1.055 605 S CB 0.159 63.419 63.200 0.100 0.000 0.790 605 S HN 1.025 nan 8.310 nan 0.000 0.500 606 S N 2.356 118.190 115.700 0.223 0.000 2.599 606 S HA 0.779 5.250 4.470 0.003 0.000 0.287 606 S C -1.070 173.387 174.600 -0.238 0.000 1.105 606 S CA -1.054 57.093 58.200 -0.088 0.000 0.899 606 S CB 1.510 64.662 63.200 -0.080 0.000 1.100 606 S HN 0.517 nan 8.310 nan 0.000 0.482 607 L N 1.737 122.518 121.223 -0.735 0.000 2.346 607 L HA 0.697 5.039 4.340 0.003 0.000 0.276 607 L C -1.230 175.164 176.870 -0.794 0.000 1.006 607 L CA -0.087 54.413 54.840 -0.568 0.000 0.817 607 L CB 1.435 43.109 42.059 -0.642 0.000 1.272 607 L HN 0.920 nan 8.230 nan 0.000 0.421 608 H N 4.014 123.129 119.070 0.075 0.000 2.806 608 H HA 0.594 5.151 4.556 0.003 0.000 0.367 608 H C -1.055 174.585 175.328 0.519 0.000 1.136 608 H CA -0.820 55.361 56.048 0.222 0.000 1.178 608 H CB 2.137 31.742 29.762 -0.260 0.000 1.718 608 H HN 0.697 nan 8.280 nan 0.000 0.540 609 R N 0.359 121.207 120.500 0.580 0.000 2.744 609 R HA 0.717 5.059 4.340 0.003 0.000 0.279 609 R C -1.256 175.095 176.300 0.085 0.000 0.977 609 R CA -0.927 55.285 56.100 0.187 0.000 0.906 609 R CB 2.350 32.481 30.300 -0.282 0.000 1.197 609 R HN 0.458 nan 8.270 nan 0.000 0.463 610 S N 0.648 116.238 115.700 -0.183 0.000 2.548 610 S HA 0.402 4.874 4.470 0.003 0.000 0.276 610 S C -0.275 174.140 174.600 -0.310 0.000 1.129 610 S CA -0.909 57.048 58.200 -0.404 0.000 0.931 610 S CB 1.703 64.321 63.200 -0.970 0.000 1.068 610 S HN 0.802 nan 8.310 nan 0.000 0.480 611 R N 1.493 121.835 120.500 -0.264 0.000 2.427 611 R HA 0.196 4.538 4.340 0.003 0.000 0.262 611 R C -0.584 175.627 176.300 -0.150 0.000 0.943 611 R CA 0.277 56.271 56.100 -0.176 0.000 1.081 611 R CB 0.104 30.314 30.300 -0.150 0.000 1.166 611 R HN 0.682 nan 8.270 nan 0.000 0.534 612 D N -0.585 119.682 120.400 -0.222 0.000 2.760 612 D HA 0.091 4.733 4.640 0.003 0.000 0.314 612 D C 0.158 176.299 176.300 -0.266 0.000 1.464 612 D CA -0.576 53.305 54.000 -0.199 0.000 0.797 612 D CB -0.436 40.259 40.800 -0.175 0.000 1.149 612 D HN 0.087 nan 8.370 nan 0.000 0.455 613 I N 0.323 120.713 120.570 -0.301 0.000 6.532 613 I HA -0.254 3.918 4.170 0.003 0.000 0.126 613 I C 1.255 177.150 176.117 -0.370 0.000 1.811 613 I CA 0.703 61.776 61.300 -0.379 0.000 2.115 613 I CB -1.623 36.007 38.000 -0.616 0.000 3.474 613 I HN 0.520 nan 8.210 nan 0.000 0.192 614 G N 0.082 108.507 108.800 -0.624 0.000 2.157 614 G HA2 -0.273 3.689 3.960 0.003 0.000 0.239 614 G HA3 -0.273 3.689 3.960 0.003 0.000 0.239 614 G C 0.516 175.097 174.900 -0.532 0.000 0.982 614 G CA 0.438 45.051 45.100 -0.812 0.000 0.650 614 G HN 0.576 nan 8.290 nan 0.000 0.527 615 Q N -0.104 119.453 119.800 -0.406 0.000 2.083 615 Q HA 0.132 4.473 4.340 0.003 0.000 0.198 615 Q C 1.504 177.367 176.000 -0.229 0.000 0.969 615 Q CA 1.569 57.246 55.803 -0.209 0.000 0.838 615 Q CB 0.098 28.756 28.738 -0.134 0.000 0.900 615 Q HN 0.793 nan 8.270 nan 0.000 0.436 616 T N -2.926 111.394 114.554 -0.390 0.000 2.906 616 T HA 0.575 4.926 4.350 0.003 0.000 0.295 616 T C -1.439 172.996 174.700 -0.442 0.000 1.075 616 T CA -0.880 61.068 62.100 -0.253 0.000 1.005 616 T CB 1.378 70.174 68.868 -0.119 0.000 1.136 616 T HN 0.198 nan 8.240 nan 0.000 0.498 617 W N -0.093 121.212 121.300 0.008 0.000 3.033 617 W HA 0.602 5.265 4.660 0.005 0.000 0.336 617 W C -0.538 175.993 176.519 0.020 0.000 1.173 617 W CA -0.789 56.568 57.345 0.021 0.000 1.185 617 W CB 1.846 31.349 29.460 0.072 0.000 1.425 617 W HN 0.725 nan 8.180 nan 0.000 0.536 618 E N 1.176 121.535 120.200 0.265 0.000 2.195 618 E HA 0.706 5.058 4.350 0.003 0.000 0.271 618 E C -0.805 176.005 176.600 0.351 0.000 0.923 618 E CA -0.689 55.809 56.400 0.165 0.000 0.790 618 E CB 2.038 31.634 29.700 -0.173 0.000 1.155 618 E HN 0.213 nan 8.360 nan 0.000 0.402 619 S N 1.874 117.773 115.700 0.331 0.000 2.599 619 S HA 0.636 5.108 4.470 0.003 0.000 0.287 619 S C -0.973 173.574 174.600 -0.088 0.000 1.105 619 S CA -0.750 57.444 58.200 -0.010 0.000 0.899 619 S CB 1.124 64.109 63.200 -0.360 0.000 1.100 619 S HN 0.317 nan 8.310 nan 0.000 0.482 620 L N 1.484 122.372 121.223 -0.558 0.000 2.445 620 L HA 0.612 4.954 4.340 0.003 0.000 0.262 620 L C -0.853 175.653 176.870 -0.606 0.000 0.974 620 L CA -0.766 53.717 54.840 -0.596 0.000 0.822 620 L CB 2.387 43.827 42.059 -1.031 0.000 1.339 620 L HN 0.505 nan 8.230 nan 0.000 0.409 621 R N 1.596 121.893 120.500 -0.338 0.000 2.393 621 R HA 0.526 4.868 4.340 0.003 0.000 0.310 621 R C -1.233 174.883 176.300 -0.306 0.000 0.968 621 R CA -0.262 55.713 56.100 -0.208 0.000 0.867 621 R CB 0.702 31.012 30.300 0.017 0.000 1.124 621 R HN 0.234 nan 8.270 nan 0.000 0.450 622 F N 6.184 126.071 119.950 -0.106 0.000 2.518 622 F HA 0.251 4.779 4.527 0.003 0.000 0.359 622 F C -1.230 174.528 175.800 -0.071 0.000 1.118 622 F CA -1.201 56.761 58.000 -0.063 0.000 1.287 622 F CB 0.438 39.467 39.000 0.048 0.000 1.132 622 F HN 0.468 nan 8.300 nan 0.000 0.587 623 P HA 0.020 nan 4.420 nan 0.000 0.272 623 P C -0.608 176.650 177.300 -0.070 0.000 1.223 623 P CA 0.134 63.141 63.100 -0.154 0.000 0.784 623 P CB 0.418 31.923 31.700 -0.325 0.000 0.923 624 H N -0.207 118.877 119.070 0.024 0.000 2.941 624 H HA -0.153 4.405 4.556 0.003 0.000 0.279 624 H C -0.192 175.085 175.328 -0.084 0.000 1.247 624 H CA 0.739 56.774 56.048 -0.021 0.000 1.129 624 H CB -2.637 27.127 29.762 0.003 0.000 1.313 624 H HN 0.738 nan 8.280 nan 0.000 0.384 625 N N -1.396 117.299 118.700 -0.009 0.000 2.696 625 N HA -0.168 4.574 4.740 0.003 0.000 0.256 625 N C -0.106 175.336 175.510 -0.114 0.000 1.031 625 N CA 0.372 53.376 53.050 -0.077 0.000 0.730 625 N CB -0.571 37.832 38.487 -0.139 0.000 0.894 625 N HN 0.110 nan 8.380 nan 0.000 0.544 626 V N 2.011 121.802 119.914 -0.205 0.000 2.557 626 V HA 0.009 4.130 4.120 0.003 0.000 0.301 626 V C 0.869 176.741 176.094 -0.370 0.000 1.026 626 V CA 0.568 62.546 62.300 -0.536 0.000 1.137 626 V CB 0.149 31.596 31.823 -0.627 0.000 0.917 626 V HN 0.456 nan 8.190 nan 0.000 0.484 627 H N 2.708 121.376 119.070 -0.668 0.000 3.017 627 H HA 0.408 4.966 4.556 0.003 0.000 0.346 627 H C 0.276 175.381 175.328 -0.372 0.000 1.286 627 H CA -0.419 55.345 56.048 -0.472 0.000 1.120 627 H CB 0.949 30.394 29.762 -0.528 0.000 1.860 627 H HN 0.751 nan 8.280 nan 0.000 0.542 628 H N -1.515 117.456 119.070 -0.165 0.000 3.898 628 H HA -0.168 4.390 4.556 0.003 0.000 0.171 628 H C -0.244 175.024 175.328 -0.100 0.000 0.920 628 H CA 1.378 57.350 56.048 -0.126 0.000 1.238 628 H CB -0.756 28.912 29.762 -0.158 0.000 0.997 628 H HN 0.816 nan 8.280 nan 0.000 0.380 629 T N 0.987 115.517 114.554 -0.041 0.000 2.863 629 T HA 0.420 4.772 4.350 0.003 0.000 0.285 629 T C 0.320 175.047 174.700 0.044 0.000 1.009 629 T CA -0.006 62.109 62.100 0.026 0.000 0.989 629 T CB 1.440 70.319 68.868 0.018 0.000 1.004 629 T HN 0.330 nan 8.240 nan 0.000 0.455 630 T N 2.411 117.056 114.554 0.152 0.000 2.828 630 T HA 0.543 4.895 4.350 0.003 0.000 0.290 630 T C 0.260 175.102 174.700 0.235 0.000 1.019 630 T CA -0.741 61.483 62.100 0.205 0.000 1.031 630 T CB 0.372 69.436 68.868 0.327 0.000 1.001 630 T HN 0.494 nan 8.240 nan 0.000 0.531 631 L N 2.260 123.650 121.223 0.277 0.000 2.679 631 L HA 0.337 4.679 4.340 0.003 0.000 0.238 631 L C -2.238 174.918 176.870 0.476 0.000 1.330 631 L CA -2.139 52.883 54.840 0.303 0.000 0.935 631 L CB 0.992 43.166 42.059 0.193 0.000 1.243 631 L HN 0.512 nan 8.230 nan 0.000 0.484 632 P HA 0.190 nan 4.420 nan 0.000 0.269 632 P C -0.833 176.804 177.300 0.561 0.000 1.215 632 P CA 0.234 63.629 63.100 0.491 0.000 0.780 632 P CB 0.854 32.806 31.700 0.420 0.000 0.898 633 F N -1.559 118.599 119.950 0.348 0.000 2.713 633 F HA 0.808 5.336 4.527 0.003 0.000 0.311 633 F C -1.948 174.053 175.800 0.335 0.000 1.141 633 F CA -1.349 56.846 58.000 0.324 0.000 0.939 633 F CB 0.749 39.898 39.000 0.248 0.000 1.325 633 F HN 0.523 nan 8.300 nan 0.000 0.453 634 A N 1.495 124.547 122.820 0.386 0.000 2.527 634 A HA 0.750 5.072 4.320 0.003 0.000 0.293 634 A C -1.722 175.966 177.584 0.173 0.000 1.117 634 A CA -1.105 51.114 52.037 0.302 0.000 0.723 634 A CB 2.014 21.189 19.000 0.292 0.000 1.313 634 A HN 0.921 nan 8.150 nan 0.000 0.411 635 K N 0.930 121.156 120.400 -0.291 0.000 2.240 635 K HA 0.616 4.937 4.320 0.003 0.000 0.271 635 K C -1.673 174.724 176.600 -0.338 0.000 1.018 635 K CA -0.285 55.680 56.287 -0.537 0.000 0.874 635 K CB 1.177 32.981 32.500 -1.160 0.000 1.098 635 K HN 0.412 nan 8.250 nan 0.000 0.458 636 V N 4.783 124.606 119.914 -0.152 0.000 2.409 636 V HA 0.427 4.549 4.120 0.003 0.000 0.290 636 V C 0.752 176.807 176.094 -0.067 0.000 1.017 636 V CA 0.027 62.285 62.300 -0.069 0.000 0.841 636 V CB 0.573 32.394 31.823 -0.005 0.000 1.003 636 V HN 1.176 nan 8.190 nan 0.000 0.426 637 G N 4.920 113.688 108.800 -0.054 0.000 2.611 637 G HA2 -0.281 3.681 3.960 0.003 0.000 0.301 637 G HA3 -0.281 3.681 3.960 0.003 0.000 0.301 637 G C 0.409 175.277 174.900 -0.053 0.000 1.233 637 G CA 0.694 45.770 45.100 -0.039 0.000 0.993 637 G HN 0.626 nan 8.290 nan 0.000 0.553 638 D N 2.027 122.403 120.400 -0.040 0.000 2.340 638 D HA 0.213 4.855 4.640 0.003 0.000 0.220 638 D C 0.092 176.362 176.300 -0.050 0.000 1.039 638 D CA 0.615 54.596 54.000 -0.032 0.000 0.866 638 D CB 0.074 40.864 40.800 -0.016 0.000 0.913 638 D HN 0.322 nan 8.370 nan 0.000 0.523 639 D N 0.318 120.674 120.400 -0.073 0.000 2.192 639 D HA 0.274 4.916 4.640 0.003 0.000 0.246 639 D C 0.338 176.571 176.300 -0.112 0.000 1.042 639 D CA -0.454 53.495 54.000 -0.085 0.000 0.847 639 D CB 2.002 42.760 40.800 -0.070 0.000 1.186 639 D HN -0.059 nan 8.370 nan 0.000 0.461 640 L N 2.395 123.541 121.223 -0.128 0.000 2.367 640 L HA 0.369 4.711 4.340 0.003 0.000 0.275 640 L C 0.228 177.080 176.870 -0.030 0.000 1.129 640 L CA -0.294 54.492 54.840 -0.090 0.000 0.839 640 L CB 0.470 42.417 42.059 -0.185 0.000 1.133 640 L HN 0.193 nan 8.230 nan 0.000 0.453 641 I N 4.411 125.032 120.570 0.085 0.000 2.354 641 I HA 0.368 4.540 4.170 0.003 0.000 0.286 641 I C -0.257 175.972 176.117 0.186 0.000 1.007 641 I CA -0.184 61.168 61.300 0.087 0.000 1.167 641 I CB 1.386 39.475 38.000 0.149 0.000 1.320 641 I HN 0.570 nan 8.210 nan 0.000 0.458 642 M N 5.831 125.448 119.600 0.029 0.000 2.436 642 M HA 0.566 5.048 4.480 0.003 0.000 0.331 642 M C -1.142 175.124 176.300 -0.057 0.000 1.135 642 M CA -0.389 55.003 55.300 0.154 0.000 0.987 642 M CB 2.132 34.801 32.600 0.116 0.000 1.687 642 M HN 0.248 nan 8.290 nan 0.000 0.445 643 F N 0.145 120.112 119.950 0.029 0.000 2.532 643 F HA 0.869 5.398 4.527 0.003 0.000 0.321 643 F C 0.474 176.134 175.800 -0.234 0.000 1.089 643 F CA -0.606 57.207 58.000 -0.313 0.000 0.926 643 F CB 2.399 40.673 39.000 -1.210 0.000 1.168 643 F HN 0.606 nan 8.300 nan 0.000 0.459 644 G N 0.165 108.980 108.800 0.025 0.000 2.692 644 G HA2 0.612 4.574 3.960 0.003 0.000 0.291 644 G HA3 0.612 4.574 3.960 0.003 0.000 0.291 644 G C -1.888 173.165 174.900 0.254 0.000 1.423 644 G CA -0.899 44.320 45.100 0.198 0.000 0.843 644 G HN 0.541 nan 8.290 nan 0.000 0.486 645 S N 0.084 116.015 115.700 0.384 0.000 2.619 645 S HA 0.418 4.890 4.470 0.003 0.000 0.280 645 S C -0.255 174.576 174.600 0.385 0.000 1.150 645 S CA -0.880 57.517 58.200 0.328 0.000 0.978 645 S CB 1.694 65.068 63.200 0.290 0.000 1.041 645 S HN 0.918 nan 8.310 nan 0.000 0.485 646 E N 2.619 123.079 120.200 0.433 0.000 2.404 646 E HA 0.208 4.560 4.350 0.003 0.000 0.261 646 E C 0.248 176.938 176.600 0.150 0.000 1.074 646 E CA -0.615 55.968 56.400 0.304 0.000 0.917 646 E CB 0.578 30.486 29.700 0.346 0.000 0.965 646 E HN 0.328 nan 8.360 nan 0.000 0.433 647 R N 0.924 121.464 120.500 0.066 0.000 2.210 647 R HA 0.244 4.586 4.340 0.003 0.000 0.203 647 R C 0.172 176.384 176.300 -0.147 0.000 1.010 647 R CA 0.776 56.867 56.100 -0.014 0.000 1.008 647 R CB -0.037 30.227 30.300 -0.060 0.000 0.923 647 R HN 0.615 nan 8.270 nan 0.000 0.469 648 A N 0.492 123.211 122.820 -0.168 0.000 2.594 648 A HA 0.366 4.688 4.320 0.003 0.000 0.291 648 A C -1.089 176.472 177.584 -0.038 0.000 1.105 648 A CA -0.709 51.174 52.037 -0.257 0.000 0.694 648 A CB 1.374 19.979 19.000 -0.657 0.000 1.291 648 A HN 0.092 nan 8.150 nan 0.000 0.410 649 E N 0.399 120.617 120.200 0.030 0.000 2.413 649 E HA 0.143 4.495 4.350 0.003 0.000 0.263 649 E C -0.064 176.597 176.600 0.102 0.000 1.015 649 E CA 0.837 57.297 56.400 0.100 0.000 0.916 649 E CB -0.114 29.671 29.700 0.143 0.000 0.947 649 E HN 0.653 nan 8.360 nan 0.000 0.440 650 N N 2.566 121.350 118.700 0.140 0.000 2.776 650 N HA -0.206 4.536 4.740 0.003 0.000 0.250 650 N C -0.194 175.394 175.510 0.130 0.000 1.112 650 N CA 0.746 53.880 53.050 0.141 0.000 0.733 650 N CB -0.483 38.072 38.487 0.113 0.000 1.097 650 N HN 0.592 nan 8.380 nan 0.000 0.558 651 E N -0.901 119.383 120.200 0.140 0.000 2.460 651 E HA -0.015 4.337 4.350 0.003 0.000 0.200 651 E C 1.250 177.889 176.600 0.065 0.000 1.011 651 E CA -0.278 56.193 56.400 0.118 0.000 0.912 651 E CB 0.102 29.862 29.700 0.100 0.000 0.953 651 E HN 0.435 nan 8.360 nan 0.000 0.494 652 W N 2.665 123.910 121.300 -0.092 0.000 2.355 652 W HA -0.131 4.531 4.660 0.003 0.000 0.309 652 W C 0.114 176.538 176.519 -0.157 0.000 1.206 652 W CA 1.231 58.436 57.345 -0.234 0.000 1.284 652 W CB 0.120 29.449 29.460 -0.218 0.000 1.145 652 W HN -0.059 nan 8.180 nan 0.000 0.502 653 E N 0.384 120.663 120.200 0.131 0.000 2.418 653 E HA 0.214 4.566 4.350 0.003 0.000 0.261 653 E C 0.259 176.872 176.600 0.023 0.000 1.070 653 E CA 0.183 56.611 56.400 0.046 0.000 0.931 653 E CB 0.480 30.197 29.700 0.028 0.000 0.954 653 E HN 0.104 nan 8.360 nan 0.000 0.439 654 A N 2.003 124.805 122.820 -0.030 0.000 2.546 654 A HA 0.388 4.710 4.320 0.003 0.000 0.243 654 A C 1.427 178.967 177.584 -0.073 0.000 1.063 654 A CA 0.573 52.571 52.037 -0.066 0.000 0.757 654 A CB -0.701 18.302 19.000 0.005 0.000 0.991 654 A HN 0.911 nan 8.150 nan 0.000 0.503 655 G N 0.852 109.577 108.800 -0.125 0.000 2.184 655 G HA2 0.100 4.062 3.960 0.003 0.000 0.264 655 G HA3 0.100 4.062 3.960 0.003 0.000 0.264 655 G C 0.622 175.489 174.900 -0.055 0.000 0.975 655 G CA 0.547 45.594 45.100 -0.089 0.000 0.642 655 G HN 2.277 nan 8.290 nan 0.000 0.536 656 A N 1.756 124.559 122.820 -0.029 0.000 2.454 656 A HA 0.625 4.947 4.320 0.003 0.000 0.260 656 A C -0.842 176.763 177.584 0.034 0.000 1.106 656 A CA -0.327 51.724 52.037 0.024 0.000 0.780 656 A CB 0.279 19.323 19.000 0.073 0.000 1.044 656 A HN 0.333 nan 8.150 nan 0.000 0.498 657 P HA 0.186 nan 4.420 nan 0.000 0.274 657 P C -0.770 176.582 177.300 0.087 0.000 1.237 657 P CA -0.444 62.687 63.100 0.051 0.000 0.793 657 P CB 0.545 32.272 31.700 0.045 0.000 0.977 658 D N 0.842 121.307 120.400 0.108 0.000 2.472 658 D HA 0.040 4.681 4.640 0.003 0.000 0.237 658 D C 0.114 176.452 176.300 0.064 0.000 1.141 658 D CA 0.977 55.040 54.000 0.105 0.000 0.875 658 D CB -0.008 40.855 40.800 0.105 0.000 1.192 658 D HN 0.348 nan 8.370 nan 0.000 0.450 659 D N 1.698 122.109 120.400 0.019 0.000 2.502 659 D HA 0.115 4.757 4.640 0.003 0.000 0.301 659 D C -0.547 175.738 176.300 -0.024 0.000 1.202 659 D CA -0.657 53.358 54.000 0.025 0.000 0.878 659 D CB 0.103 40.922 40.800 0.031 0.000 1.062 659 D HN 0.028 nan 8.370 nan 0.000 0.499 660 R N 0.873 121.389 120.500 0.025 0.000 2.893 660 R HA 0.405 4.747 4.340 0.003 0.000 0.245 660 R C 0.167 176.618 176.300 0.252 0.000 1.192 660 R CA -0.784 55.328 56.100 0.019 0.000 1.077 660 R CB -0.004 30.183 30.300 -0.188 0.000 1.253 660 R HN 0.443 nan 8.270 nan 0.000 0.505 661 Y N -1.354 119.151 120.300 0.343 0.000 4.729 661 Y HA -0.351 4.201 4.550 0.003 0.000 0.239 661 Y C 0.094 176.093 175.900 0.166 0.000 1.043 661 Y CA 1.375 59.602 58.100 0.212 0.000 2.045 661 Y CB -1.334 37.210 38.460 0.140 0.000 1.599 661 Y HN 0.602 nan 8.280 nan 0.000 0.655 662 K N -0.528 120.066 120.400 0.323 0.000 2.546 662 K HA 0.886 5.208 4.320 0.003 0.000 0.264 662 K C -0.706 176.011 176.600 0.195 0.000 0.937 662 K CA -0.560 55.852 56.287 0.209 0.000 0.833 662 K CB 1.773 34.383 32.500 0.183 0.000 1.378 662 K HN 0.141 nan 8.250 nan 0.000 0.432 663 A N 1.490 124.364 122.820 0.090 0.000 2.498 663 A HA 0.504 4.826 4.320 0.003 0.000 0.239 663 A C -0.034 177.626 177.584 0.126 0.000 1.068 663 A CA 0.536 52.606 52.037 0.055 0.000 0.766 663 A CB -0.281 18.763 19.000 0.073 0.000 1.003 663 A HN 1.016 nan 8.150 nan 0.000 0.497 664 S N 0.575 116.324 115.700 0.081 0.000 2.672 664 S HA 0.628 5.100 4.470 0.003 0.000 0.271 664 S C -1.306 173.206 174.600 -0.146 0.000 1.171 664 S CA -0.610 57.643 58.200 0.088 0.000 0.817 664 S CB 0.604 63.916 63.200 0.186 0.000 1.150 664 S HN 0.563 nan 8.310 nan 0.000 0.478 665 Y N 1.857 122.209 120.300 0.086 0.000 2.837 665 Y HA 0.446 4.998 4.550 0.003 0.000 0.356 665 Y C -2.491 173.426 175.900 0.027 0.000 1.035 665 Y CA -1.977 56.143 58.100 0.035 0.000 1.165 665 Y CB 1.146 39.619 38.460 0.022 0.000 1.147 665 Y HN 0.422 nan 8.280 nan 0.000 0.628 666 P HA 0.058 nan 4.420 nan 0.000 0.268 666 P C -0.393 176.925 177.300 0.031 0.000 1.205 666 P CA -0.036 63.112 63.100 0.079 0.000 0.771 666 P CB 0.957 32.695 31.700 0.064 0.000 0.858 667 R N 1.203 121.683 120.500 -0.033 0.000 2.340 667 R HA 0.398 4.740 4.340 0.003 0.000 0.300 667 R C 0.337 176.374 176.300 -0.439 0.000 1.069 667 R CA -0.125 55.785 56.100 -0.316 0.000 0.984 667 R CB 0.376 30.357 30.300 -0.533 0.000 1.003 667 R HN 0.403 nan 8.270 nan 0.000 0.459 668 T N 3.724 117.987 114.554 -0.486 0.000 2.824 668 T HA 0.488 4.840 4.350 0.003 0.000 0.280 668 T C -0.757 173.546 174.700 -0.662 0.000 0.995 668 T CA -0.268 61.603 62.100 -0.382 0.000 1.009 668 T CB 0.457 69.237 68.868 -0.147 0.000 0.955 668 T HN 0.237 nan 8.240 nan 0.000 0.452 669 F N 2.175 121.921 119.950 -0.340 0.000 2.579 669 F HA 0.658 5.187 4.527 0.003 0.000 0.324 669 F C -0.330 175.391 175.800 -0.132 0.000 1.058 669 F CA -1.231 56.580 58.000 -0.314 0.000 0.944 669 F CB 1.504 40.138 39.000 -0.611 0.000 1.245 669 F HN 0.592 nan 8.300 nan 0.000 0.477 670 Y N 0.598 120.827 120.300 -0.118 0.000 2.605 670 Y HA 0.944 5.495 4.550 0.003 0.000 0.343 670 Y C -1.415 174.317 175.900 -0.279 0.000 1.036 670 Y CA -1.929 55.923 58.100 -0.413 0.000 1.065 670 Y CB 1.384 39.186 38.460 -1.097 0.000 1.288 670 Y HN 0.821 nan 8.280 nan 0.000 0.481 671 A N 2.695 125.088 122.820 -0.711 0.000 2.587 671 A HA 0.833 5.155 4.320 0.003 0.000 0.293 671 A C -1.455 175.750 177.584 -0.631 0.000 1.087 671 A CA -1.289 50.166 52.037 -0.970 0.000 0.692 671 A CB 1.676 19.764 19.000 -1.521 0.000 1.291 671 A HN 0.843 nan 8.150 nan 0.000 0.407 672 R N -0.032 120.139 120.500 -0.548 0.000 2.532 672 R HA 0.691 5.033 4.340 0.003 0.000 0.295 672 R C -1.399 174.717 176.300 -0.306 0.000 0.968 672 R CA -0.527 55.383 56.100 -0.317 0.000 0.916 672 R CB 1.986 32.150 30.300 -0.227 0.000 1.124 672 R HN 0.617 nan 8.270 nan 0.000 0.463 673 L N 2.547 123.638 121.223 -0.219 0.000 2.406 673 L HA 0.361 4.703 4.340 0.003 0.000 0.272 673 L C -0.907 175.887 176.870 -0.127 0.000 0.980 673 L CA -0.665 54.058 54.840 -0.195 0.000 0.831 673 L CB 1.704 43.640 42.059 -0.204 0.000 1.253 673 L HN 0.573 nan 8.230 nan 0.000 0.406 674 N N 3.717 122.358 118.700 -0.099 0.000 2.420 674 N HA 0.028 4.769 4.740 0.003 0.000 0.262 674 N C 1.058 176.594 175.510 0.044 0.000 1.144 674 N CA 0.155 53.182 53.050 -0.039 0.000 0.952 674 N CB 1.795 40.258 38.487 -0.040 0.000 1.081 674 N HN 0.669 nan 8.380 nan 0.000 0.480 675 V N 2.008 121.979 119.914 0.094 0.000 2.759 675 V HA -0.123 3.999 4.120 0.003 0.000 0.256 675 V C 1.443 177.681 176.094 0.240 0.000 1.080 675 V CA 1.472 63.932 62.300 0.266 0.000 1.101 675 V CB -0.691 31.287 31.823 0.258 0.000 0.698 675 V HN 0.577 nan 8.190 nan 0.000 0.477 676 N N 1.535 120.309 118.700 0.122 0.000 2.142 676 N HA -0.108 4.634 4.740 0.003 0.000 0.186 676 N C 1.611 177.186 175.510 0.108 0.000 1.023 676 N CA 1.530 54.630 53.050 0.084 0.000 0.852 676 N CB -0.306 38.205 38.487 0.040 0.000 0.998 676 N HN 0.496 nan 8.380 nan 0.000 0.424 677 N N 0.210 118.969 118.700 0.099 0.000 2.331 677 N HA -0.149 4.592 4.740 0.003 0.000 0.180 677 N C -0.068 175.534 175.510 0.153 0.000 1.019 677 N CA 0.302 53.400 53.050 0.080 0.000 0.881 677 N CB -0.277 38.219 38.487 0.015 0.000 0.972 677 N HN 0.361 nan 8.380 nan 0.000 0.435 678 W N 2.777 124.040 121.300 -0.062 0.000 6.840 678 W HA -0.239 4.423 4.660 0.004 0.000 0.413 678 W C -1.014 175.444 176.519 -0.101 0.000 1.605 678 W CA 0.515 57.814 57.345 -0.078 0.000 1.122 678 W CB -1.337 28.092 29.460 -0.052 0.000 2.811 678 W HN 0.233 nan 8.180 nan 0.000 1.578 679 N N 0.725 119.291 118.700 -0.223 0.000 2.478 679 N HA 0.490 5.232 4.740 0.003 0.000 0.291 679 N C -0.302 175.033 175.510 -0.291 0.000 1.090 679 N CA 0.073 52.969 53.050 -0.257 0.000 0.911 679 N CB 1.404 39.819 38.487 -0.120 0.000 1.546 679 N HN 0.002 nan 8.380 nan 0.000 0.500 680 A N 1.579 124.183 122.820 -0.360 0.000 2.345 680 A HA 0.141 4.463 4.320 0.003 0.000 0.225 680 A C 0.811 178.296 177.584 -0.164 0.000 1.243 680 A CA 0.018 51.880 52.037 -0.292 0.000 0.875 680 A CB -0.133 18.606 19.000 -0.435 0.000 0.929 680 A HN 0.629 nan 8.150 nan 0.000 0.502 681 D N 1.564 121.874 120.400 -0.150 0.000 2.133 681 D HA -0.164 4.478 4.640 0.003 0.000 0.195 681 D C 0.880 177.145 176.300 -0.058 0.000 0.997 681 D CA 1.792 55.733 54.000 -0.099 0.000 0.840 681 D CB -0.066 40.684 40.800 -0.085 0.000 0.947 681 D HN 0.696 nan 8.370 nan 0.000 0.452 682 D N -0.251 120.106 120.400 -0.072 0.000 2.427 682 D HA 0.011 4.652 4.640 0.003 0.000 0.224 682 D C 0.783 177.025 176.300 -0.097 0.000 1.157 682 D CA -0.496 53.472 54.000 -0.052 0.000 0.828 682 D CB -0.714 40.052 40.800 -0.056 0.000 0.974 682 D HN 0.223 nan 8.370 nan 0.000 0.498 683 I N 0.823 121.317 120.570 -0.127 0.000 2.815 683 I HA -0.071 4.100 4.170 0.003 0.000 0.291 683 I C -0.219 175.724 176.117 -0.291 0.000 1.209 683 I CA 0.464 61.604 61.300 -0.268 0.000 1.431 683 I CB 0.488 38.306 38.000 -0.303 0.000 1.351 683 I HN -0.058 nan 8.210 nan 0.000 0.585 684 E N 6.901 126.803 120.200 -0.496 0.000 2.149 684 E HA 0.172 4.524 4.350 0.003 0.000 0.255 684 E C -1.708 174.556 176.600 -0.560 0.000 0.888 684 E CA -0.434 55.656 56.400 -0.516 0.000 0.742 684 E CB 0.757 29.924 29.700 -0.890 0.000 1.164 684 E HN 0.470 nan 8.360 nan 0.000 0.422 685 W N 2.737 123.938 121.300 -0.166 0.000 2.345 685 W HA 0.253 4.914 4.660 0.003 0.000 0.308 685 W C -0.245 176.199 176.519 -0.125 0.000 1.273 685 W CA -0.556 56.623 57.345 -0.276 0.000 1.243 685 W CB 0.816 29.960 29.460 -0.526 0.000 1.260 685 W HN 0.183 nan 8.180 nan 0.000 0.509 686 V N 4.505 124.431 119.914 0.020 0.000 2.357 686 V HA 0.093 4.214 4.120 0.003 0.000 0.284 686 V C 0.014 176.118 176.094 0.017 0.000 1.018 686 V CA -1.153 61.144 62.300 -0.005 0.000 0.841 686 V CB 1.020 32.746 31.823 -0.161 0.000 0.991 686 V HN 0.429 nan 8.190 nan 0.000 0.437 687 N N 4.580 123.158 118.700 -0.204 0.000 2.416 687 N HA 0.200 4.942 4.740 0.003 0.000 0.265 687 N C 0.656 176.032 175.510 -0.224 0.000 1.195 687 N CA -0.075 52.640 53.050 -0.559 0.000 0.943 687 N CB 0.611 38.598 38.487 -0.833 0.000 1.115 687 N HN 0.724 nan 8.380 nan 0.000 0.481 688 I N -0.346 120.096 120.570 -0.214 0.000 4.035 688 I HA 0.349 4.520 4.170 0.003 0.000 0.321 688 I C 0.536 176.597 176.117 -0.093 0.000 1.289 688 I CA -0.206 61.018 61.300 -0.128 0.000 1.236 688 I CB 0.401 38.224 38.000 -0.294 0.000 1.076 688 I HN 0.353 nan 8.210 nan 0.000 0.418 689 T N 0.231 114.710 114.554 -0.125 0.000 2.886 689 T HA 0.365 4.716 4.350 0.003 0.000 0.330 689 T C -2.067 172.605 174.700 -0.048 0.000 1.488 689 T CA -0.529 61.569 62.100 -0.003 0.000 1.054 689 T CB 1.993 70.944 68.868 0.138 0.000 1.348 689 T HN 0.067 nan 8.240 nan 0.000 0.489 690 D N 2.382 122.782 120.400 0.001 0.000 2.350 690 D HA 0.674 5.315 4.640 0.003 0.000 0.245 690 D C -0.315 175.998 176.300 0.021 0.000 1.036 690 D CA -0.282 53.727 54.000 0.014 0.000 0.848 690 D CB 2.033 42.868 40.800 0.059 0.000 1.307 690 D HN 0.337 nan 8.370 nan 0.000 0.469 691 Q N 0.293 120.094 119.800 0.002 0.000 2.427 691 Q HA 0.659 5.001 4.340 0.003 0.000 0.232 691 Q C -0.490 175.430 176.000 -0.133 0.000 1.018 691 Q CA -0.629 55.102 55.803 -0.119 0.000 0.965 691 Q CB 1.585 30.256 28.738 -0.112 0.000 1.232 691 Q HN 0.402 nan 8.270 nan 0.000 0.510 692 I N 0.794 121.194 120.570 -0.283 0.000 2.433 692 I HA 0.303 4.475 4.170 0.003 0.000 0.292 692 I C -1.233 174.719 176.117 -0.275 0.000 1.001 692 I CA -0.956 60.075 61.300 -0.447 0.000 1.119 692 I CB 1.293 38.871 38.000 -0.704 0.000 1.289 692 I HN 0.514 nan 8.210 nan 0.000 0.438 693 Y N 6.059 126.162 120.300 -0.328 0.000 2.331 693 Y HA 0.205 4.756 4.550 0.003 0.000 0.338 693 Y C 1.094 176.863 175.900 -0.219 0.000 0.976 693 Y CA -0.170 57.798 58.100 -0.220 0.000 1.137 693 Y CB 1.237 39.621 38.460 -0.126 0.000 1.172 693 Y HN 0.596 nan 8.280 nan 0.000 0.478 694 Q N 4.493 123.835 119.800 -0.763 0.000 2.083 694 Q HA 0.022 4.363 4.340 0.003 0.000 0.198 694 Q C 1.434 177.066 176.000 -0.613 0.000 0.969 694 Q CA 1.998 57.452 55.803 -0.581 0.000 0.838 694 Q CB -0.218 28.254 28.738 -0.443 0.000 0.900 694 Q HN 1.263 nan 8.270 nan 0.000 0.436 695 G N -1.540 106.626 108.800 -1.056 0.000 2.175 695 G HA2 -0.256 3.706 3.960 0.003 0.000 0.244 695 G HA3 -0.256 3.706 3.960 0.003 0.000 0.244 695 G C 0.845 175.666 174.900 -0.132 0.000 0.982 695 G CA 0.638 45.393 45.100 -0.575 0.000 0.641 695 G HN 0.581 nan 8.290 nan 0.000 0.527 696 G N 0.209 108.919 108.800 -0.149 0.000 2.484 696 G HA2 0.402 4.364 3.960 0.003 0.000 0.218 696 G HA3 0.402 4.364 3.960 0.003 0.000 0.218 696 G C 0.887 175.921 174.900 0.223 0.000 1.130 696 G CA 1.280 46.404 45.100 0.041 0.000 0.784 696 G HN 1.545 nan 8.290 nan 0.000 0.543 697 I N -4.483 116.158 120.570 0.118 0.000 3.174 697 I HA 0.541 4.713 4.170 0.003 0.000 0.313 697 I C 0.982 177.098 176.117 -0.001 0.000 1.155 697 I CA -1.101 60.326 61.300 0.212 0.000 0.977 697 I CB 1.890 39.969 38.000 0.131 0.000 1.248 697 I HN -0.217 nan 8.210 nan 0.000 0.453 698 V N 2.589 122.428 119.914 -0.125 0.000 2.515 698 V HA -0.106 4.016 4.120 0.003 0.000 0.250 698 V C 1.001 177.093 176.094 -0.003 0.000 1.058 698 V CA 1.570 63.658 62.300 -0.353 0.000 1.064 698 V CB -0.933 30.733 31.823 -0.262 0.000 0.675 698 V HN 0.895 nan 8.190 nan 0.000 0.461 699 N N 0.413 119.184 118.700 0.118 0.000 2.482 699 N HA 0.263 5.004 4.740 0.003 0.000 0.260 699 N C -0.498 175.177 175.510 0.276 0.000 1.236 699 N CA 0.473 53.634 53.050 0.186 0.000 0.938 699 N CB 0.905 39.538 38.487 0.244 0.000 1.128 699 N HN 0.252 nan 8.380 nan 0.000 0.448 700 S N -0.756 115.072 115.700 0.213 0.000 2.557 700 S HA 0.551 5.023 4.470 0.003 0.000 0.291 700 S C 0.716 175.380 174.600 0.107 0.000 1.116 700 S CA -0.856 57.478 58.200 0.224 0.000 0.992 700 S CB 0.992 64.270 63.200 0.131 0.000 1.028 700 S HN 0.665 nan 8.310 nan 0.000 0.484 701 G N 2.614 111.432 108.800 0.031 0.000 2.985 701 G HA2 0.179 4.141 3.960 0.003 0.000 0.209 701 G HA3 0.179 4.141 3.960 0.003 0.000 0.209 701 G C 0.249 175.058 174.900 -0.153 0.000 1.165 701 G CA 0.049 45.057 45.100 -0.153 0.000 0.776 701 G HN 0.657 nan 8.290 nan 0.000 0.541 702 V N 1.043 120.935 119.914 -0.038 0.000 2.585 702 V HA 0.477 4.599 4.120 0.003 0.000 0.296 702 V C 1.398 177.554 176.094 0.104 0.000 1.035 702 V CA 0.954 63.269 62.300 0.024 0.000 1.084 702 V CB 0.055 31.916 31.823 0.063 0.000 0.953 702 V HN 0.791 nan 8.190 nan 0.000 0.483 703 G N 3.779 112.722 108.800 0.239 0.000 2.509 703 G HA2 -0.047 3.915 3.960 0.003 0.000 0.256 703 G HA3 -0.047 3.915 3.960 0.003 0.000 0.256 703 G C 0.334 175.389 174.900 0.259 0.000 1.152 703 G CA 0.181 45.490 45.100 0.348 0.000 0.951 703 G HN 2.230 nan 8.290 nan 0.000 0.559 704 V N -2.359 117.724 119.914 0.281 0.000 5.678 704 V HA 0.162 4.284 4.120 0.003 0.000 0.205 704 V C 1.109 177.399 176.094 0.327 0.000 0.703 704 V CA 1.959 64.444 62.300 0.308 0.000 0.545 704 V CB -1.901 30.103 31.823 0.300 0.000 0.202 704 V HN 2.541 nan 8.190 nan 0.000 0.481 705 G N 0.471 109.504 108.800 0.389 0.000 2.890 705 G HA2 0.792 4.754 3.960 0.003 0.000 0.189 705 G HA3 0.792 4.754 3.960 0.003 0.000 0.189 705 G C -0.334 174.787 174.900 0.369 0.000 1.342 705 G CA -0.283 45.005 45.100 0.314 0.000 1.026 705 G HN 1.610 nan 8.290 nan 0.000 0.579 706 S N -2.476 113.426 115.700 0.336 0.000 2.547 706 S HA 0.580 5.052 4.470 0.003 0.000 0.270 706 S C -1.670 173.122 174.600 0.320 0.000 1.150 706 S CA -0.445 57.938 58.200 0.305 0.000 0.850 706 S CB 1.806 65.139 63.200 0.222 0.000 1.118 706 S HN 0.669 nan 8.310 nan 0.000 0.461 707 V N 3.452 123.536 119.914 0.285 0.000 2.709 707 V HA 0.822 4.944 4.120 0.003 0.000 0.308 707 V C -0.398 175.840 176.094 0.239 0.000 1.062 707 V CA -0.482 61.979 62.300 0.269 0.000 0.901 707 V CB 1.633 33.639 31.823 0.305 0.000 1.003 707 V HN 0.937 nan 8.190 nan 0.000 0.425 708 V N 2.727 122.799 119.914 0.263 0.000 3.078 708 V HA 0.854 4.976 4.120 0.003 0.000 0.311 708 V C -0.983 175.316 176.094 0.341 0.000 1.138 708 V CA -0.798 61.659 62.300 0.261 0.000 1.007 708 V CB 2.187 34.121 31.823 0.186 0.000 1.045 708 V HN 0.475 nan 8.190 nan 0.000 0.432 709 V N 2.285 122.384 119.914 0.309 0.000 2.459 709 V HA 0.629 4.750 4.120 0.003 0.000 0.295 709 V C -0.167 176.103 176.094 0.293 0.000 1.029 709 V CA -0.500 61.998 62.300 0.329 0.000 0.874 709 V CB 1.618 33.598 31.823 0.263 0.000 0.985 709 V HN 1.050 nan 8.190 nan 0.000 0.438 710 K N 3.969 124.592 120.400 0.372 0.000 2.507 710 K HA 0.419 4.740 4.320 0.003 0.000 0.252 710 K C -0.538 176.235 176.600 0.287 0.000 0.943 710 K CA -0.429 56.012 56.287 0.256 0.000 0.808 710 K CB 1.250 33.827 32.500 0.128 0.000 1.142 710 K HN 0.829 nan 8.250 nan 0.000 0.426 711 D N 1.954 122.467 120.400 0.188 0.000 3.452 711 D HA -0.278 4.364 4.640 0.003 0.000 0.164 711 D C -0.138 176.242 176.300 0.134 0.000 1.074 711 D CA 1.048 55.143 54.000 0.159 0.000 1.069 711 D CB -0.389 40.517 40.800 0.176 0.000 0.527 711 D HN 0.680 nan 8.370 nan 0.000 0.558 712 N N 0.644 119.389 118.700 0.075 0.000 2.451 712 N HA 0.199 4.941 4.740 0.003 0.000 0.264 712 N C -1.020 174.271 175.510 -0.365 0.000 1.167 712 N CA 0.154 53.137 53.050 -0.111 0.000 0.898 712 N CB -0.157 38.224 38.487 -0.178 0.000 1.176 712 N HN 0.243 nan 8.380 nan 0.000 0.507 713 Y N -0.221 120.105 120.300 0.044 0.000 2.462 713 Y HA 0.491 5.043 4.550 0.003 0.000 0.346 713 Y C -0.004 175.869 175.900 -0.044 0.000 0.976 713 Y CA -0.849 57.202 58.100 -0.081 0.000 1.044 713 Y CB 2.151 40.474 38.460 -0.227 0.000 1.230 713 Y HN -0.081 nan 8.280 nan 0.000 0.455 714 I N 2.865 123.446 120.570 0.019 0.000 2.525 714 I HA 0.469 4.641 4.170 0.003 0.000 0.301 714 I C -1.641 174.412 176.117 -0.106 0.000 0.992 714 I CA -0.876 60.495 61.300 0.118 0.000 1.162 714 I CB 1.179 39.320 38.000 0.235 0.000 1.332 714 I HN 0.586 nan 8.210 nan 0.000 0.458 715 Y N 6.366 126.742 120.300 0.127 0.000 2.361 715 Y HA 0.321 4.873 4.550 0.003 0.000 0.337 715 Y C -1.085 174.822 175.900 0.012 0.000 0.965 715 Y CA -0.649 57.503 58.100 0.086 0.000 1.091 715 Y CB 1.474 40.004 38.460 0.115 0.000 1.182 715 Y HN 0.398 nan 8.280 nan 0.000 0.450 716 Y N 4.697 124.903 120.300 -0.156 0.000 2.356 716 Y HA 0.628 5.179 4.550 0.003 0.000 0.334 716 Y C -1.377 174.620 175.900 0.163 0.000 0.958 716 Y CA -2.028 55.912 58.100 -0.266 0.000 1.196 716 Y CB 0.709 38.572 38.460 -0.994 0.000 1.137 716 Y HN 0.626 nan 8.280 nan 0.000 0.485 717 M N 9.011 128.621 119.600 0.017 0.000 2.157 717 M HA 0.490 4.972 4.480 0.003 0.000 0.354 717 M C -1.130 175.109 176.300 -0.102 0.000 1.170 717 M CA -0.177 55.094 55.300 -0.049 0.000 1.060 717 M CB 0.684 33.250 32.600 -0.056 0.000 1.615 717 M HN 0.547 nan 8.290 nan 0.000 0.460 718 F N -0.721 118.958 119.950 -0.453 0.000 2.773 718 F HA 0.924 5.453 4.527 0.003 0.000 0.314 718 F C -0.209 175.466 175.800 -0.208 0.000 1.160 718 F CA -1.551 56.206 58.000 -0.404 0.000 0.920 718 F CB 0.730 39.254 39.000 -0.794 0.000 1.323 718 F HN 0.586 nan 8.300 nan 0.000 0.457 719 G N -0.453 108.238 108.800 -0.181 0.000 2.476 719 G HA2 0.586 4.548 3.960 0.003 0.000 0.286 719 G HA3 0.586 4.548 3.960 0.003 0.000 0.286 719 G C -0.719 174.035 174.900 -0.244 0.000 1.177 719 G CA -0.473 44.479 45.100 -0.246 0.000 0.870 719 G HN 1.307 nan 8.290 nan 0.000 0.528 720 G N -0.250 108.457 108.800 -0.155 0.000 2.720 720 G HA2 0.594 4.556 3.960 0.003 0.000 0.295 720 G HA3 0.594 4.556 3.960 0.003 0.000 0.295 720 G C -0.855 173.972 174.900 -0.122 0.000 1.437 720 G CA -0.624 44.348 45.100 -0.214 0.000 0.886 720 G HN 0.568 nan 8.290 nan 0.000 0.509 721 E N -0.701 119.375 120.200 -0.207 0.000 2.518 721 E HA 0.598 4.949 4.350 0.003 0.000 0.248 721 E C -0.727 175.702 176.600 -0.286 0.000 1.028 721 E CA -0.689 55.566 56.400 -0.243 0.000 0.922 721 E CB 1.429 30.957 29.700 -0.287 0.000 1.299 721 E HN 0.651 nan 8.360 nan 0.000 0.457 722 D N -1.929 118.268 120.400 -0.339 0.000 2.732 722 D HA 0.170 4.812 4.640 0.003 0.000 0.292 722 D C 0.230 176.203 176.300 -0.544 0.000 1.135 722 D CA -0.560 53.166 54.000 -0.456 0.000 1.071 722 D CB 0.233 40.821 40.800 -0.354 0.000 1.457 722 D HN 0.332 nan 8.370 nan 0.000 0.547 723 H N -1.023 117.761 119.070 -0.476 0.000 2.547 723 H HA 0.167 4.725 4.556 0.003 0.000 0.266 723 H C -0.215 174.914 175.328 -0.332 0.000 0.988 723 H CA 0.119 55.926 56.048 -0.403 0.000 1.147 723 H CB -0.276 29.283 29.762 -0.339 0.000 1.365 723 H HN 0.197 nan 8.280 nan 0.000 0.589 724 F N 1.869 121.746 119.950 -0.121 0.000 2.444 724 F HA 0.084 4.613 4.527 0.003 0.000 0.360 724 F C 1.228 176.786 175.800 -0.403 0.000 1.106 724 F CA -1.006 56.874 58.000 -0.200 0.000 1.170 724 F CB 0.013 38.923 39.000 -0.150 0.000 1.113 724 F HN -0.035 nan 8.300 nan 0.000 0.521 725 N N 6.037 124.446 118.700 -0.485 0.000 2.492 725 N HA 0.042 4.783 4.740 0.003 0.000 0.262 725 N C -1.547 173.306 175.510 -1.094 0.000 1.202 725 N CA -1.214 51.273 53.050 -0.940 0.000 0.926 725 N CB 1.296 38.761 38.487 -1.703 0.000 1.078 725 N HN 0.209 nan 8.380 nan 0.000 0.454 726 P HA -0.031 nan 4.420 nan 0.000 0.237 726 P C -0.509 176.622 177.300 -0.281 0.000 1.178 726 P CA 0.523 63.357 63.100 -0.444 0.000 0.766 726 P CB -0.170 31.440 31.700 -0.151 0.000 0.876 727 W N -1.473 119.816 121.300 -0.018 0.000 4.706 727 W HA -0.192 4.470 4.660 0.003 0.000 0.366 727 W C 1.105 177.610 176.519 -0.025 0.000 1.382 727 W CA 0.156 57.500 57.345 -0.002 0.000 0.832 727 W CB -3.121 26.333 29.460 -0.009 0.000 2.504 727 W HN -0.072 nan 8.180 nan 0.000 1.403 728 T N -1.352 113.230 114.554 0.047 0.000 2.746 728 T HA -0.211 4.141 4.350 0.003 0.000 0.267 728 T C 0.445 175.042 174.700 -0.172 0.000 1.039 728 T CA 1.439 63.465 62.100 -0.123 0.000 1.142 728 T CB -0.234 68.437 68.868 -0.328 0.000 0.866 728 T HN 0.180 nan 8.240 nan 0.000 0.444 729 Y N 1.099 121.526 120.300 0.211 0.000 2.504 729 Y HA 0.550 5.102 4.550 0.003 0.000 0.339 729 Y C 0.992 177.042 175.900 0.251 0.000 0.974 729 Y CA -0.458 57.758 58.100 0.194 0.000 1.232 729 Y CB 0.837 39.400 38.460 0.172 0.000 1.108 729 Y HN 0.327 nan 8.280 nan 0.000 0.509 730 G N 2.147 111.127 108.800 0.301 0.000 2.291 730 G HA2 -0.153 3.809 3.960 0.003 0.000 0.249 730 G HA3 -0.153 3.809 3.960 0.003 0.000 0.249 730 G C -0.699 174.279 174.900 0.129 0.000 1.340 730 G CA -0.211 45.014 45.100 0.207 0.000 1.017 730 G HN 0.489 nan 8.290 nan 0.000 0.470 731 D N -0.520 119.916 120.400 0.059 0.000 2.340 731 D HA 0.167 4.809 4.640 0.003 0.000 0.220 731 D C 0.783 177.130 176.300 0.078 0.000 1.039 731 D CA 0.394 54.411 54.000 0.028 0.000 0.866 731 D CB 0.266 41.029 40.800 -0.061 0.000 0.913 731 D HN 0.271 nan 8.370 nan 0.000 0.523 732 N N 0.091 118.876 118.700 0.142 0.000 2.642 732 N HA 0.031 4.772 4.740 0.003 0.000 0.308 732 N C 0.666 176.241 175.510 0.108 0.000 1.914 732 N CA 0.206 53.332 53.050 0.126 0.000 0.893 732 N CB 0.457 39.031 38.487 0.145 0.000 1.322 732 N HN 0.046 nan 8.380 nan 0.000 0.490 733 S N -1.212 114.543 115.700 0.091 0.000 2.442 733 S HA -0.105 4.367 4.470 0.003 0.000 0.236 733 S C 1.826 176.468 174.600 0.070 0.000 1.007 733 S CA 0.885 59.125 58.200 0.066 0.000 0.965 733 S CB -0.128 63.117 63.200 0.075 0.000 0.773 733 S HN 0.313 nan 8.310 nan 0.000 0.504 734 A N 1.490 124.359 122.820 0.082 0.000 2.168 734 A HA 0.196 4.518 4.320 0.003 0.000 0.215 734 A C 1.152 178.806 177.584 0.117 0.000 1.152 734 A CA 0.729 52.819 52.037 0.088 0.000 0.716 734 A CB -0.628 18.424 19.000 0.086 0.000 0.794 734 A HN 0.572 nan 8.150 nan 0.000 0.465 735 K N -0.406 120.078 120.400 0.140 0.000 3.230 735 K HA -0.164 4.157 4.320 0.003 0.000 0.285 735 K C -0.588 176.173 176.600 0.268 0.000 1.196 735 K CA 0.710 57.145 56.287 0.247 0.000 0.838 735 K CB -1.618 31.031 32.500 0.249 0.000 1.262 735 K HN 0.603 nan 8.250 nan 0.000 0.492 736 D N 0.796 121.279 120.400 0.139 0.000 2.412 736 D HA 0.023 4.665 4.640 0.003 0.000 0.257 736 D C -1.405 174.858 176.300 -0.062 0.000 1.217 736 D CA -1.850 52.205 54.000 0.091 0.000 0.897 736 D CB 1.028 41.891 40.800 0.105 0.000 1.132 736 D HN -0.017 nan 8.370 nan 0.000 0.493 737 P HA -0.059 nan 4.420 nan 0.000 0.222 737 P C 0.531 177.386 177.300 -0.741 0.000 1.147 737 P CA 0.824 63.554 63.100 -0.617 0.000 0.790 737 P CB 0.022 31.030 31.700 -1.152 0.000 0.780 738 F N -0.772 119.139 119.950 -0.065 0.000 2.732 738 F HA 0.183 4.712 4.527 0.003 0.000 0.303 738 F C 1.025 176.809 175.800 -0.026 0.000 1.110 738 F CA -0.068 57.902 58.000 -0.050 0.000 1.355 738 F CB -0.469 38.517 39.000 -0.022 0.000 1.081 738 F HN -0.289 nan 8.300 nan 0.000 0.565 739 K N 0.155 120.582 120.400 0.046 0.000 2.143 739 K HA 0.421 4.743 4.320 0.003 0.000 0.272 739 K C 0.913 177.519 176.600 0.010 0.000 1.001 739 K CA -0.069 56.244 56.287 0.044 0.000 0.915 739 K CB 1.403 33.934 32.500 0.051 0.000 1.047 739 K HN 0.043 nan 8.250 nan 0.000 0.458 740 S N 1.497 117.215 115.700 0.029 0.000 4.050 740 S HA -0.237 4.235 4.470 0.003 0.000 0.602 740 S C 0.449 175.014 174.600 -0.058 0.000 2.030 740 S CA 1.408 59.623 58.200 0.025 0.000 4.208 740 S CB -0.716 62.585 63.200 0.168 0.000 0.290 740 S HN 0.860 nan 8.310 nan 0.000 0.615 741 D N 3.188 123.524 120.400 -0.107 0.000 2.325 741 D HA 0.387 5.029 4.640 0.003 0.000 0.225 741 D C 1.306 177.486 176.300 -0.200 0.000 1.096 741 D CA 0.982 54.855 54.000 -0.212 0.000 0.844 741 D CB -0.243 40.326 40.800 -0.385 0.000 0.925 741 D HN 0.805 nan 8.370 nan 0.000 0.513 742 G N 1.353 110.007 108.800 -0.244 0.000 2.614 742 G HA2 -0.278 3.684 3.960 0.003 0.000 0.303 742 G HA3 -0.278 3.684 3.960 0.003 0.000 0.303 742 G C -0.139 174.447 174.900 -0.524 0.000 1.270 742 G CA -0.170 44.679 45.100 -0.418 0.000 0.988 742 G HN 0.411 nan 8.290 nan 0.000 0.551 743 H N 2.056 121.042 119.070 -0.139 0.000 2.467 743 H HA 0.363 4.920 4.556 0.003 0.000 0.326 743 H C -1.263 173.934 175.328 -0.219 0.000 1.094 743 H CA -1.065 54.884 56.048 -0.164 0.000 1.253 743 H CB 1.940 31.652 29.762 -0.083 0.000 1.439 743 H HN 0.308 nan 8.280 nan 0.000 0.479 744 P HA -0.070 nan 4.420 nan 0.000 0.229 744 P C 0.779 177.927 177.300 -0.253 0.000 1.160 744 P CA 0.333 63.321 63.100 -0.186 0.000 0.777 744 P CB 0.503 32.069 31.700 -0.223 0.000 0.814 745 S N 0.707 116.154 115.700 -0.422 0.000 2.516 745 S HA 0.162 4.634 4.470 0.003 0.000 0.282 745 S C -0.120 174.308 174.600 -0.286 0.000 1.286 745 S CA 0.040 57.976 58.200 -0.439 0.000 1.066 745 S CB -0.282 62.451 63.200 -0.778 0.000 0.884 745 S HN -0.012 nan 8.310 nan 0.000 0.491 746 D N 2.321 122.570 120.400 -0.251 0.000 2.596 746 D HA 0.369 5.011 4.640 0.003 0.000 0.262 746 D C -0.769 175.272 176.300 -0.431 0.000 1.210 746 D CA -0.496 53.307 54.000 -0.328 0.000 0.873 746 D CB 1.359 41.954 40.800 -0.342 0.000 1.408 746 D HN 0.398 nan 8.370 nan 0.000 0.441 747 L N 1.063 121.916 121.223 -0.616 0.000 2.357 747 L HA 0.436 4.778 4.340 0.003 0.000 0.273 747 L C -0.791 175.514 176.870 -0.943 0.000 1.080 747 L CA -0.527 53.917 54.840 -0.661 0.000 0.803 747 L CB 0.488 42.143 42.059 -0.673 0.000 1.174 747 L HN 0.296 nan 8.230 nan 0.000 0.443 748 Y N 0.060 119.931 120.300 -0.715 0.000 2.602 748 Y HA 0.510 5.062 4.550 0.003 0.000 0.342 748 Y C -0.318 175.272 175.900 -0.518 0.000 1.029 748 Y CA -0.778 56.932 58.100 -0.650 0.000 1.080 748 Y CB 2.089 40.066 38.460 -0.806 0.000 1.284 748 Y HN 0.404 nan 8.280 nan 0.000 0.485 749 C N 1.709 120.985 119.300 -0.039 0.000 2.432 749 C HA 0.322 4.784 4.460 0.003 0.000 0.334 749 C C -1.170 174.063 174.990 0.405 0.000 1.155 749 C CA -1.076 58.026 59.018 0.140 0.000 1.335 749 C CB -0.228 27.506 27.740 -0.011 0.000 1.964 749 C HN 0.750 nan 8.230 nan 0.000 0.444 750 Y N 3.709 124.233 120.300 0.374 0.000 2.383 750 Y HA 0.376 4.928 4.550 0.003 0.000 0.344 750 Y C 0.438 176.434 175.900 0.160 0.000 0.986 750 Y CA 0.200 58.483 58.100 0.304 0.000 1.175 750 Y CB 0.367 39.001 38.460 0.290 0.000 1.152 750 Y HN 0.625 nan 8.280 nan 0.000 0.511 751 K N 8.326 128.618 120.400 -0.180 0.000 2.263 751 K HA 0.373 4.695 4.320 0.003 0.000 0.272 751 K C -1.233 175.227 176.600 -0.233 0.000 1.033 751 K CA -0.607 55.521 56.287 -0.265 0.000 0.884 751 K CB 0.585 32.969 32.500 -0.194 0.000 1.107 751 K HN 0.849 nan 8.250 nan 0.000 0.460 752 M N 4.612 124.192 119.600 -0.034 0.000 2.321 752 M HA 0.267 4.749 4.480 0.003 0.000 0.315 752 M C -1.069 175.281 176.300 0.083 0.000 1.052 752 M CA -0.770 54.601 55.300 0.119 0.000 0.936 752 M CB 1.474 34.236 32.600 0.270 0.000 1.639 752 M HN 0.511 nan 8.290 nan 0.000 0.433 753 K N 4.086 124.501 120.400 0.026 0.000 2.368 753 K HA 0.228 4.550 4.320 0.003 0.000 0.282 753 K C 0.118 176.593 176.600 -0.209 0.000 1.035 753 K CA 0.007 56.116 56.287 -0.296 0.000 0.973 753 K CB 0.420 32.769 32.500 -0.251 0.000 0.957 753 K HN 0.735 nan 8.250 nan 0.000 0.474 754 I N 0.381 120.793 120.570 -0.264 0.000 4.338 754 I HA 0.439 4.611 4.170 0.003 0.000 0.329 754 I C 0.284 176.325 176.117 -0.127 0.000 1.378 754 I CA -0.431 60.793 61.300 -0.127 0.000 1.170 754 I CB 1.136 39.112 38.000 -0.040 0.000 1.206 754 I HN 0.538 nan 8.210 nan 0.000 0.432 755 G N 0.645 109.329 108.800 -0.194 0.000 2.608 755 G HA2 0.578 4.540 3.960 0.003 0.000 0.291 755 G HA3 0.578 4.540 3.960 0.003 0.000 0.291 755 G C -3.371 171.432 174.900 -0.162 0.000 1.425 755 G CA -1.200 43.818 45.100 -0.137 0.000 0.787 755 G HN -0.162 nan 8.290 nan 0.000 0.484 756 P HA 0.165 nan 4.420 nan 0.000 0.268 756 P C -1.161 176.095 177.300 -0.073 0.000 1.205 756 P CA 0.184 63.238 63.100 -0.077 0.000 0.771 756 P CB 1.240 32.914 31.700 -0.042 0.000 0.858 757 D N 2.297 122.671 120.400 -0.044 0.000 2.441 757 D HA 0.144 4.786 4.640 0.003 0.000 0.231 757 D C -0.108 176.209 176.300 0.027 0.000 1.073 757 D CA -0.377 53.632 54.000 0.015 0.000 0.850 757 D CB -0.235 40.610 40.800 0.076 0.000 1.062 757 D HN 0.156 nan 8.370 nan 0.000 0.524 758 N N 2.396 121.112 118.700 0.027 0.000 2.295 758 N HA 0.134 4.876 4.740 0.003 0.000 0.221 758 N C -0.008 175.519 175.510 0.028 0.000 1.129 758 N CA -0.063 53.000 53.050 0.022 0.000 0.836 758 N CB 0.638 39.134 38.487 0.015 0.000 1.040 758 N HN 0.105 nan 8.380 nan 0.000 0.494 759 R N 0.289 120.812 120.500 0.040 0.000 2.854 759 R HA 0.430 4.772 4.340 0.003 0.000 0.271 759 R C -0.257 176.067 176.300 0.040 0.000 0.996 759 R CA -1.045 55.078 56.100 0.038 0.000 0.961 759 R CB 1.746 32.072 30.300 0.043 0.000 1.182 759 R HN -0.046 nan 8.270 nan 0.000 0.479 760 V N -0.273 119.661 119.914 0.033 0.000 3.096 760 V HA 0.145 4.267 4.120 0.003 0.000 0.306 760 V C 0.621 176.739 176.094 0.039 0.000 1.088 760 V CA -0.465 61.855 62.300 0.033 0.000 1.129 760 V CB 1.492 33.332 31.823 0.027 0.000 1.014 760 V HN 0.765 nan 8.190 nan 0.000 0.486 761 S N 1.885 117.608 115.700 0.039 0.000 2.558 761 S HA 0.202 4.674 4.470 0.003 0.000 0.288 761 S C 0.856 175.480 174.600 0.040 0.000 1.318 761 S CA -0.081 58.142 58.200 0.038 0.000 1.056 761 S CB 0.227 63.446 63.200 0.032 0.000 0.853 761 S HN 0.828 nan 8.310 nan 0.000 0.505 762 R N 1.918 122.436 120.500 0.030 0.000 2.334 762 R HA 0.295 4.637 4.340 0.003 0.000 0.216 762 R C -0.423 175.911 176.300 0.056 0.000 0.905 762 R CA -0.062 56.069 56.100 0.050 0.000 1.064 762 R CB -0.062 30.256 30.300 0.030 0.000 1.046 762 R HN 0.536 nan 8.270 nan 0.000 0.508 763 D N 0.829 121.226 120.400 -0.005 0.000 2.414 763 D HA 0.108 4.750 4.640 0.003 0.000 0.242 763 D C -0.191 176.119 176.300 0.017 0.000 1.129 763 D CA 0.478 54.420 54.000 -0.095 0.000 0.885 763 D CB 0.473 41.231 40.800 -0.070 0.000 1.198 763 D HN 0.022 nan 8.370 nan 0.000 0.437 764 F N -1.205 118.774 119.950 0.049 0.000 2.613 764 F HA 0.544 5.073 4.527 0.003 0.000 0.314 764 F C -0.084 175.762 175.800 0.076 0.000 1.075 764 F CA -1.563 56.466 58.000 0.048 0.000 0.945 764 F CB 1.275 40.298 39.000 0.038 0.000 1.310 764 F HN 0.024 nan 8.300 nan 0.000 0.467 765 R N 1.733 122.421 120.500 0.314 0.000 2.308 765 R HA 0.283 4.625 4.340 0.003 0.000 0.305 765 R C -1.640 174.908 176.300 0.413 0.000 1.053 765 R CA -0.569 55.692 56.100 0.268 0.000 0.957 765 R CB 0.622 31.010 30.300 0.147 0.000 1.022 765 R HN 0.893 nan 8.270 nan 0.000 0.461 766 Y N 3.426 123.903 120.300 0.295 0.000 2.436 766 Y HA 0.306 4.858 4.550 0.003 0.000 0.343 766 Y C 0.642 176.613 175.900 0.119 0.000 1.008 766 Y CA 0.471 58.725 58.100 0.256 0.000 1.241 766 Y CB 1.314 39.927 38.460 0.256 0.000 1.153 766 Y HN 0.850 nan 8.280 nan 0.000 0.521 767 G N 4.289 112.952 108.800 -0.229 0.000 3.441 767 G HA2 0.409 4.371 3.960 0.003 0.000 0.263 767 G HA3 0.409 4.371 3.960 0.003 0.000 0.263 767 G C -0.057 174.677 174.900 -0.277 0.000 1.014 767 G CA 0.252 45.258 45.100 -0.157 0.000 0.833 767 G HN 0.837 nan 8.290 nan 0.000 0.514 768 A N 0.068 122.513 122.820 -0.625 0.000 2.286 768 A HA 0.641 4.963 4.320 0.003 0.000 0.286 768 A C 0.167 177.632 177.584 -0.199 0.000 1.097 768 A CA -0.312 51.455 52.037 -0.449 0.000 0.821 768 A CB 1.053 19.701 19.000 -0.588 0.000 1.076 768 A HN 0.278 nan 8.150 nan 0.000 0.490 769 V N 3.206 123.069 119.914 -0.085 0.000 2.446 769 V HA 0.137 4.259 4.120 0.003 0.000 0.276 769 V C -1.952 174.174 176.094 0.054 0.000 1.030 769 V CA -0.663 61.640 62.300 0.005 0.000 1.033 769 V CB 0.292 32.105 31.823 -0.016 0.000 0.993 769 V HN 0.740 nan 8.190 nan 0.000 0.477 770 P HA 0.135 nan 4.420 nan 0.000 0.261 770 P C -0.007 177.320 177.300 0.046 0.000 1.203 770 P CA 0.266 63.467 63.100 0.169 0.000 0.767 770 P CB 0.235 32.023 31.700 0.146 0.000 0.785 771 N N 2.427 121.140 118.700 0.021 0.000 2.377 771 N HA 0.102 4.844 4.740 0.003 0.000 0.259 771 N C 0.744 176.239 175.510 -0.025 0.000 1.332 771 N CA -0.071 52.944 53.050 -0.058 0.000 0.877 771 N CB 0.219 38.622 38.487 -0.139 0.000 1.299 771 N HN 0.020 nan 8.380 nan 0.000 0.501 772 R N -0.258 120.245 120.500 0.004 0.000 2.123 772 R HA 0.362 4.704 4.340 0.003 0.000 0.209 772 R C 1.754 178.047 176.300 -0.012 0.000 1.078 772 R CA 0.920 57.024 56.100 0.007 0.000 1.028 772 R CB -0.967 29.339 30.300 0.010 0.000 0.939 772 R HN 0.178 nan 8.270 nan 0.000 0.463 773 A N 0.862 123.670 122.820 -0.021 0.000 1.855 773 A HA -0.005 4.317 4.320 0.003 0.000 0.215 773 A C 0.809 178.360 177.584 -0.054 0.000 1.191 773 A CA 1.130 53.142 52.037 -0.042 0.000 0.613 773 A CB 0.040 19.018 19.000 -0.037 0.000 0.829 773 A HN 0.045 nan 8.150 nan 0.000 0.442 774 V N 1.230 121.118 119.914 -0.044 0.000 2.320 774 V HA 0.269 4.391 4.120 0.003 0.000 0.268 774 V C -2.899 173.161 176.094 -0.057 0.000 1.021 774 V CA -1.498 60.779 62.300 -0.039 0.000 0.813 774 V CB 0.947 32.755 31.823 -0.025 0.000 1.054 774 V HN 0.186 nan 8.190 nan 0.000 0.444 775 P HA 0.213 nan 4.420 nan 0.000 0.270 775 P C -0.458 176.716 177.300 -0.209 0.000 1.242 775 P CA 0.297 63.342 63.100 -0.091 0.000 0.768 775 P CB 0.905 32.693 31.700 0.147 0.000 0.820 776 V N 5.516 125.108 119.914 -0.537 0.000 2.555 776 V HA 0.520 4.642 4.120 0.003 0.000 0.302 776 V C -0.363 175.157 176.094 -0.956 0.000 1.038 776 V CA -0.353 61.652 62.300 -0.492 0.000 0.887 776 V CB 1.117 32.760 31.823 -0.301 0.000 0.991 776 V HN 0.314 nan 8.190 nan 0.000 0.434 777 F N 3.161 123.083 119.950 -0.047 0.000 2.539 777 F HA 0.558 5.087 4.527 0.003 0.000 0.318 777 F C -0.345 175.442 175.800 -0.023 0.000 1.135 777 F CA -0.700 57.312 58.000 0.020 0.000 0.915 777 F CB 1.492 40.506 39.000 0.022 0.000 1.176 777 F HN 0.278 nan 8.300 nan 0.000 0.440 778 F N 2.553 122.572 119.950 0.114 0.000 2.494 778 F HA 0.101 4.630 4.527 0.003 0.000 0.369 778 F C 0.965 176.821 175.800 0.093 0.000 1.098 778 F CA 0.082 58.128 58.000 0.077 0.000 1.154 778 F CB -0.068 38.956 39.000 0.039 0.000 1.103 778 F HN 0.440 nan 8.300 nan 0.000 0.549 779 D N 1.351 121.853 120.400 0.170 0.000 2.393 779 D HA -0.016 4.626 4.640 0.003 0.000 0.246 779 D C 1.550 177.922 176.300 0.120 0.000 1.275 779 D CA 0.230 54.304 54.000 0.122 0.000 0.979 779 D CB 0.968 41.808 40.800 0.067 0.000 1.101 779 D HN 0.566 nan 8.370 nan 0.000 0.505 780 T N -1.394 113.206 114.554 0.076 0.000 3.051 780 T HA -0.160 4.191 4.350 0.003 0.000 0.269 780 T C 1.077 175.812 174.700 0.059 0.000 1.127 780 T CA 0.951 63.088 62.100 0.062 0.000 1.107 780 T CB -0.333 68.557 68.868 0.037 0.000 0.898 780 T HN 0.441 nan 8.240 nan 0.000 0.517 781 N N 1.254 119.992 118.700 0.062 0.000 2.336 781 N HA 0.216 4.958 4.740 0.003 0.000 0.189 781 N C 1.467 177.025 175.510 0.080 0.000 1.113 781 N CA 0.492 53.575 53.050 0.055 0.000 0.858 781 N CB -0.477 38.032 38.487 0.037 0.000 0.970 781 N HN 0.593 nan 8.380 nan 0.000 0.471 782 G N -0.743 108.136 108.800 0.132 0.000 2.136 782 G HA2 -0.223 3.739 3.960 0.003 0.000 0.242 782 G HA3 -0.223 3.739 3.960 0.003 0.000 0.242 782 G C -0.589 174.464 174.900 0.254 0.000 0.989 782 G CA 0.323 45.557 45.100 0.223 0.000 0.682 782 G HN 0.311 nan 8.290 nan 0.000 0.522 783 V N 0.568 120.547 119.914 0.108 0.000 2.459 783 V HA 0.492 4.613 4.120 0.003 0.000 0.295 783 V C 1.039 177.007 176.094 -0.210 0.000 1.029 783 V CA -1.127 61.154 62.300 -0.032 0.000 0.874 783 V CB 1.577 33.389 31.823 -0.017 0.000 0.985 783 V HN 0.398 nan 8.190 nan 0.000 0.438 784 R N 2.396 122.619 120.500 -0.463 0.000 2.480 784 R HA 0.278 4.619 4.340 0.003 0.000 0.303 784 R C -0.169 175.995 176.300 -0.226 0.000 0.985 784 R CA 0.409 56.176 56.100 -0.556 0.000 1.051 784 R CB 0.083 30.066 30.300 -0.527 0.000 0.935 784 R HN 0.740 nan 8.270 nan 0.000 0.410 785 T N 2.430 116.907 114.554 -0.128 0.000 2.848 785 T HA 0.310 4.662 4.350 0.003 0.000 0.285 785 T C -0.658 174.093 174.700 0.085 0.000 0.995 785 T CA -0.651 61.452 62.100 0.004 0.000 0.970 785 T CB 1.825 70.727 68.868 0.057 0.000 0.976 785 T HN 0.153 nan 8.240 nan 0.000 0.441 786 V N 6.160 126.116 119.914 0.071 0.000 2.313 786 V HA 0.296 4.418 4.120 0.003 0.000 0.278 786 V C -1.639 174.521 176.094 0.110 0.000 1.017 786 V CA -1.370 60.991 62.300 0.103 0.000 0.823 786 V CB 1.312 33.174 31.823 0.065 0.000 1.010 786 V HN 0.752 nan 8.190 nan 0.000 0.443 787 P HA 0.234 nan 4.420 nan 0.000 0.245 787 P C 0.469 177.802 177.300 0.055 0.000 1.203 787 P CA 0.175 63.319 63.100 0.073 0.000 0.792 787 P CB 0.435 32.153 31.700 0.031 0.000 0.997 788 A N 2.054 124.916 122.820 0.070 0.000 2.371 788 A HA 0.465 4.787 4.320 0.003 0.000 0.257 788 A C -2.097 175.503 177.584 0.026 0.000 1.089 788 A CA -1.179 50.880 52.037 0.037 0.000 0.794 788 A CB -0.629 18.390 19.000 0.030 0.000 1.029 788 A HN 0.033 nan 8.150 nan 0.000 0.488 789 P HA 0.321 nan 4.420 nan 0.000 0.271 789 P C -0.747 176.546 177.300 -0.012 0.000 1.216 789 P CA 0.372 63.478 63.100 0.010 0.000 0.776 789 P CB 0.656 32.358 31.700 0.002 0.000 0.881 790 M N 1.341 120.942 119.600 0.002 0.000 2.484 790 M HA 0.350 4.832 4.480 0.003 0.000 0.289 790 M C -0.377 175.893 176.300 -0.049 0.000 1.206 790 M CA -0.688 54.568 55.300 -0.073 0.000 0.892 790 M CB 3.030 35.588 32.600 -0.071 0.000 1.712 790 M HN 0.189 nan 8.290 nan 0.000 0.462 791 E N 2.181 122.279 120.200 -0.171 0.000 2.165 791 E HA 0.473 4.825 4.350 0.003 0.000 0.266 791 E C -1.667 174.794 176.600 -0.232 0.000 0.889 791 E CA -0.211 56.137 56.400 -0.088 0.000 0.756 791 E CB 1.855 31.520 29.700 -0.058 0.000 1.131 791 E HN 0.432 nan 8.360 nan 0.000 0.411 792 F N 1.305 121.242 119.950 -0.021 0.000 2.361 792 F HA 0.139 4.668 4.527 0.003 0.000 0.364 792 F C 1.668 177.458 175.800 -0.017 0.000 1.117 792 F CA -0.393 57.588 58.000 -0.032 0.000 1.071 792 F CB 1.448 40.426 39.000 -0.035 0.000 1.188 792 F HN 0.332 nan 8.300 nan 0.000 0.464 793 T N -0.841 113.772 114.554 0.097 0.000 3.014 793 T HA 0.258 4.609 4.350 0.003 0.000 0.250 793 T C 1.005 175.747 174.700 0.070 0.000 1.060 793 T CA 0.134 62.285 62.100 0.085 0.000 1.040 793 T CB -0.053 68.869 68.868 0.090 0.000 0.971 793 T HN 0.549 nan 8.240 nan 0.000 0.497 794 G N 1.129 109.955 108.800 0.044 0.000 2.507 794 G HA2 0.436 4.398 3.960 0.003 0.000 0.271 794 G HA3 0.436 4.398 3.960 0.003 0.000 0.271 794 G C -0.919 174.006 174.900 0.043 0.000 1.189 794 G CA -0.639 44.470 45.100 0.016 0.000 0.859 794 G HN 0.223 nan 8.290 nan 0.000 0.542 795 D N -0.078 120.342 120.400 0.034 0.000 2.493 795 D HA 0.110 4.752 4.640 0.003 0.000 0.240 795 D C 0.211 176.518 176.300 0.011 0.000 1.142 795 D CA 0.752 54.769 54.000 0.028 0.000 0.872 795 D CB 1.133 41.951 40.800 0.030 0.000 1.173 795 D HN 0.037 nan 8.370 nan 0.000 0.467 796 L N 1.502 122.721 121.223 -0.006 0.000 2.329 796 L HA 0.540 4.882 4.340 0.003 0.000 0.279 796 L C 0.796 177.638 176.870 -0.047 0.000 1.014 796 L CA -0.800 54.012 54.840 -0.046 0.000 0.814 796 L CB 2.030 44.032 42.059 -0.094 0.000 1.257 796 L HN 0.336 nan 8.230 nan 0.000 0.424 797 G N 4.323 113.091 108.800 -0.054 0.000 2.417 797 G HA2 0.676 4.638 3.960 0.003 0.000 0.320 797 G HA3 0.676 4.638 3.960 0.003 0.000 0.320 797 G C -0.940 173.917 174.900 -0.071 0.000 1.204 797 G CA -0.395 44.676 45.100 -0.049 0.000 0.923 797 G HN 0.360 nan 8.290 nan 0.000 0.466 798 L N 2.099 123.279 121.223 -0.072 0.000 2.342 798 L HA 0.674 5.016 4.340 0.003 0.000 0.271 798 L C 1.143 177.977 176.870 -0.059 0.000 1.008 798 L CA -1.013 53.779 54.840 -0.080 0.000 0.818 798 L CB 2.130 44.130 42.059 -0.098 0.000 1.296 798 L HN 0.658 nan 8.230 nan 0.000 0.427 799 G N -0.700 108.074 108.800 -0.043 0.000 3.086 799 G HA2 0.036 3.998 3.960 0.003 0.000 0.159 799 G HA3 0.036 3.998 3.960 0.003 0.000 0.159 799 G C -0.175 174.721 174.900 -0.008 0.000 1.654 799 G CA -0.231 44.861 45.100 -0.014 0.000 1.078 799 G HN 0.640 nan 8.290 nan 0.000 0.558 800 H N -0.091 118.951 119.070 -0.047 0.000 2.929 800 H HA 0.295 4.853 4.556 0.003 0.000 0.317 800 H C -0.848 174.452 175.328 -0.048 0.000 1.031 800 H CA 0.193 56.213 56.048 -0.046 0.000 1.466 800 H CB 0.480 30.219 29.762 -0.039 0.000 1.482 800 H HN -0.041 nan 8.280 nan 0.000 0.561 801 V N 5.565 125.230 119.914 -0.415 0.000 2.495 801 V HA 0.197 4.319 4.120 0.003 0.000 0.298 801 V C 0.047 176.003 176.094 -0.230 0.000 1.031 801 V CA -0.680 61.491 62.300 -0.214 0.000 0.871 801 V CB 2.040 33.761 31.823 -0.170 0.000 0.988 801 V HN 0.838 nan 8.190 nan 0.000 0.432 802 T N 5.875 120.402 114.554 -0.044 0.000 2.792 802 T HA 0.554 4.906 4.350 0.003 0.000 0.280 802 T C -0.369 174.322 174.700 -0.014 0.000 0.990 802 T CA -0.326 61.771 62.100 -0.005 0.000 0.960 802 T CB 1.014 69.926 68.868 0.074 0.000 0.939 802 T HN 0.320 nan 8.240 nan 0.000 0.439 803 I N 4.126 124.684 120.570 -0.020 0.000 2.297 803 I HA 0.309 4.481 4.170 0.003 0.000 0.291 803 I C 0.875 176.992 176.117 -0.000 0.000 1.033 803 I CA -0.585 60.707 61.300 -0.012 0.000 1.253 803 I CB 0.330 38.321 38.000 -0.015 0.000 1.396 803 I HN 0.415 nan 8.210 nan 0.000 0.476 804 R N 3.755 124.257 120.500 0.003 0.000 2.615 804 R HA 0.514 4.856 4.340 0.003 0.000 0.270 804 R C 0.144 176.447 176.300 0.006 0.000 1.081 804 R CA -0.612 55.493 56.100 0.007 0.000 1.154 804 R CB 0.859 31.164 30.300 0.008 0.000 1.063 804 R HN 0.688 nan 8.270 nan 0.000 0.519 805 A N 0.945 123.769 122.820 0.007 0.000 2.520 805 A HA 0.102 4.424 4.320 0.003 0.000 0.245 805 A C 0.934 178.522 177.584 0.006 0.000 1.072 805 A CA 0.512 52.553 52.037 0.006 0.000 0.761 805 A CB 0.044 19.047 19.000 0.006 0.000 1.004 805 A HN 0.873 nan 8.150 nan 0.000 0.499 806 S N 0.540 116.244 115.700 0.007 0.000 2.560 806 S HA 0.220 4.692 4.470 0.003 0.000 0.281 806 S C 0.342 174.947 174.600 0.008 0.000 1.075 806 S CA 0.544 58.749 58.200 0.008 0.000 1.295 806 S CB 0.237 63.443 63.200 0.009 0.000 1.156 806 S HN 0.689 nan 8.310 nan 0.000 0.627 807 T N 2.083 116.642 114.554 0.008 0.000 2.893 807 T HA 0.678 5.030 4.350 0.003 0.000 0.293 807 T C -0.851 173.853 174.700 0.008 0.000 1.027 807 T CA -0.145 61.961 62.100 0.009 0.000 0.988 807 T CB 1.589 70.463 68.868 0.010 0.000 1.043 807 T HN 0.367 nan 8.240 nan 0.000 0.461 808 S N 1.995 117.700 115.700 0.008 0.000 3.578 808 S HA -0.161 4.311 4.470 0.003 0.000 0.449 808 S C 0.772 175.375 174.600 0.006 0.000 0.853 808 S CA 0.599 58.803 58.200 0.007 0.000 1.348 808 S CB -1.595 61.609 63.200 0.007 0.000 0.907 808 S HN 1.151 nan 8.310 nan 0.000 0.627 809 S N 0.747 116.450 115.700 0.005 0.000 3.641 809 S HA -0.242 4.230 4.470 0.003 0.000 0.346 809 S C 0.611 175.214 174.600 0.004 0.000 1.074 809 S CA 0.783 58.986 58.200 0.004 0.000 1.026 809 S CB -1.144 62.058 63.200 0.004 0.000 0.908 809 S HN 0.992 nan 8.310 nan 0.000 0.479 810 N N -1.465 117.237 118.700 0.005 0.000 2.714 810 N HA -0.224 4.518 4.740 0.003 0.000 0.250 810 N C 0.528 176.041 175.510 0.005 0.000 1.117 810 N CA 1.110 54.163 53.050 0.005 0.000 0.719 810 N CB -1.530 36.959 38.487 0.004 0.000 1.081 810 N HN 0.772 nan 8.380 nan 0.000 0.557 811 I N -0.375 120.198 120.570 0.005 0.000 2.546 811 I HA -0.140 4.032 4.170 0.003 0.000 0.255 811 I C 1.122 177.242 176.117 0.005 0.000 1.163 811 I CA 0.970 62.273 61.300 0.004 0.000 1.457 811 I CB 0.234 38.236 38.000 0.004 0.000 1.092 811 I HN 0.265 nan 8.210 nan 0.000 0.434 812 R N -0.169 120.334 120.500 0.006 0.000 2.771 812 R HA 0.483 4.825 4.340 0.003 0.000 0.274 812 R C -0.658 175.646 176.300 0.007 0.000 0.987 812 R CA -0.659 55.445 56.100 0.007 0.000 0.908 812 R CB 1.227 31.531 30.300 0.007 0.000 1.213 812 R HN -0.008 nan 8.270 nan 0.000 0.468 813 S N 0.195 115.900 115.700 0.007 0.000 2.610 813 S HA 0.355 4.826 4.470 0.003 0.000 0.273 813 S C -0.387 174.218 174.600 0.008 0.000 1.274 813 S CA -0.735 57.469 58.200 0.007 0.000 1.023 813 S CB 1.359 64.562 63.200 0.006 0.000 0.962 813 S HN 0.754 nan 8.310 nan 0.000 0.523 814 E N 0.857 121.062 120.200 0.009 0.000 2.304 814 E HA 0.527 4.878 4.350 0.003 0.000 0.277 814 E C -2.034 174.573 176.600 0.011 0.000 0.898 814 E CA -0.780 55.627 56.400 0.011 0.000 0.764 814 E CB 1.817 31.524 29.700 0.012 0.000 1.216 814 E HN 0.537 nan 8.360 nan 0.000 0.419 815 V N 5.539 125.461 119.914 0.013 0.000 2.487 815 V HA 0.439 4.560 4.120 0.003 0.000 0.298 815 V C -0.335 175.770 176.094 0.018 0.000 1.028 815 V CA -0.661 61.647 62.300 0.014 0.000 0.860 815 V CB 1.393 33.223 31.823 0.011 0.000 0.991 815 V HN 0.648 nan 8.190 nan 0.000 0.427 816 L N 5.444 126.679 121.223 0.021 0.000 2.329 816 L HA 0.646 4.988 4.340 0.003 0.000 0.279 816 L C -0.344 176.541 176.870 0.026 0.000 1.014 816 L CA -0.463 54.392 54.840 0.024 0.000 0.814 816 L CB 1.913 43.986 42.059 0.024 0.000 1.257 816 L HN 0.487 nan 8.230 nan 0.000 0.424 817 M N 2.648 122.266 119.600 0.030 0.000 2.268 817 M HA 0.413 4.894 4.480 0.003 0.000 0.344 817 M C -0.337 175.981 176.300 0.030 0.000 1.106 817 M CA -0.427 54.891 55.300 0.031 0.000 1.010 817 M CB 2.163 34.786 32.600 0.039 0.000 1.649 817 M HN 0.584 nan 8.290 nan 0.000 0.443 818 E N 1.004 121.217 120.200 0.022 0.000 2.961 818 E HA 0.781 5.133 4.350 0.003 0.000 0.254 818 E C 0.287 176.888 176.600 0.001 0.000 1.192 818 E CA -0.443 55.968 56.400 0.019 0.000 1.069 818 E CB 1.056 30.769 29.700 0.021 0.000 1.338 818 E HN 0.865 nan 8.360 nan 0.000 0.596 819 G N 0.684 109.484 108.800 -0.000 0.000 2.760 819 G HA2 -0.315 3.647 3.960 0.003 0.000 0.246 819 G HA3 -0.315 3.647 3.960 0.003 0.000 0.246 819 G C 0.488 175.397 174.900 0.015 0.000 1.359 819 G CA 0.245 45.332 45.100 -0.021 0.000 0.861 819 G HN 0.672 nan 8.290 nan 0.000 0.541 820 E N -1.019 119.198 120.200 0.028 0.000 2.077 820 E HA -0.019 4.333 4.350 0.003 0.000 0.193 820 E C 0.922 177.653 176.600 0.218 0.000 0.989 820 E CA 1.875 58.351 56.400 0.127 0.000 0.800 820 E CB -0.049 29.770 29.700 0.197 0.000 0.746 820 E HN 0.885 nan 8.360 nan 0.000 0.452 821 Y N -2.766 117.566 120.300 0.054 0.000 2.597 821 Y HA 0.676 5.228 4.550 0.003 0.000 0.340 821 Y C -0.229 175.723 175.900 0.088 0.000 1.097 821 Y CA -1.017 57.123 58.100 0.068 0.000 1.037 821 Y CB 0.918 39.420 38.460 0.072 0.000 1.305 821 Y HN -0.131 nan 8.280 nan 0.000 0.463 822 G N 1.006 109.924 108.800 0.197 0.000 2.410 822 G HA2 0.552 4.514 3.960 0.003 0.000 0.330 822 G HA3 0.552 4.514 3.960 0.003 0.000 0.330 822 G C -2.325 172.776 174.900 0.335 0.000 1.142 822 G CA -0.797 44.389 45.100 0.143 0.000 0.902 822 G HN 0.789 nan 8.290 nan 0.000 0.491 823 F N 1.578 121.584 119.950 0.093 0.000 2.562 823 F HA 0.641 5.170 4.527 0.003 0.000 0.319 823 F C -0.829 175.027 175.800 0.093 0.000 1.154 823 F CA -1.076 57.008 58.000 0.139 0.000 0.931 823 F CB 1.531 40.626 39.000 0.158 0.000 1.198 823 F HN 0.250 nan 8.300 nan 0.000 0.444 824 I N 6.206 126.457 120.570 -0.532 0.000 2.382 824 I HA 0.636 4.808 4.170 0.003 0.000 0.286 824 I C 0.165 175.811 176.117 -0.785 0.000 1.002 824 I CA -0.477 60.542 61.300 -0.467 0.000 1.135 824 I CB 1.370 39.303 38.000 -0.110 0.000 1.288 824 I HN 0.743 nan 8.210 nan 0.000 0.448 825 G N 4.376 112.740 108.800 -0.726 0.000 2.949 825 G HA2 0.680 4.642 3.960 0.003 0.000 0.285 825 G HA3 0.680 4.642 3.960 0.003 0.000 0.285 825 G C -1.665 173.149 174.900 -0.144 0.000 1.395 825 G CA -0.558 44.250 45.100 -0.486 0.000 0.901 825 G HN 0.369 nan 8.290 nan 0.000 0.519 826 K N 0.386 120.768 120.400 -0.030 0.000 2.463 826 K HA 0.541 4.863 4.320 0.003 0.000 0.255 826 K C 0.394 177.008 176.600 0.022 0.000 0.942 826 K CA -0.428 55.843 56.287 -0.027 0.000 0.814 826 K CB 1.295 33.766 32.500 -0.049 0.000 1.122 826 K HN 0.761 nan 8.250 nan 0.000 0.425 827 S N 3.890 119.598 115.700 0.014 0.000 2.576 827 S HA 0.229 4.701 4.470 0.003 0.000 0.272 827 S C 0.572 175.182 174.600 0.017 0.000 1.352 827 S CA -0.565 57.651 58.200 0.027 0.000 1.021 827 S CB 0.050 63.259 63.200 0.014 0.000 0.887 827 S HN 0.563 nan 8.310 nan 0.000 0.542 828 I N 2.923 123.507 120.570 0.024 0.000 2.581 828 I HA 0.175 4.347 4.170 0.003 0.000 0.285 828 I C -2.003 174.117 176.117 0.006 0.000 1.129 828 I CA -1.757 59.553 61.300 0.017 0.000 1.397 828 I CB -0.106 37.907 38.000 0.022 0.000 1.399 828 I HN 0.478 nan 8.210 nan 0.000 0.537 829 P HA 0.006 nan 4.420 nan 0.000 0.266 829 P C 0.848 178.147 177.300 -0.002 0.000 1.195 829 P CA -0.061 63.035 63.100 -0.007 0.000 0.768 829 P CB 0.565 32.257 31.700 -0.014 0.000 0.838 830 T N -2.126 112.426 114.554 -0.004 0.000 2.896 830 T HA -0.078 4.274 4.350 0.003 0.000 0.263 830 T C 0.906 175.605 174.700 -0.001 0.000 1.050 830 T CA 1.165 63.265 62.100 -0.001 0.000 1.140 830 T CB -0.360 68.507 68.868 -0.002 0.000 0.877 830 T HN 0.237 nan 8.240 nan 0.000 0.457 831 D N 1.147 121.544 120.400 -0.004 0.000 2.338 831 D HA 0.066 4.708 4.640 0.003 0.000 0.224 831 D C 0.867 177.166 176.300 -0.003 0.000 0.967 831 D CA 0.528 54.526 54.000 -0.004 0.000 0.896 831 D CB -0.012 40.785 40.800 -0.005 0.000 1.028 831 D HN 0.485 nan 8.370 nan 0.000 0.493 832 N N 1.076 119.773 118.700 -0.005 0.000 2.844 832 N HA 0.102 4.844 4.740 0.003 0.000 0.268 832 N C -2.023 173.485 175.510 -0.003 0.000 1.574 832 N CA -1.449 51.599 53.050 -0.004 0.000 0.838 832 N CB 1.580 40.062 38.487 -0.007 0.000 1.177 832 N HN -0.203 nan 8.380 nan 0.000 0.495 833 P HA -0.123 nan 4.420 nan 0.000 0.219 833 P C 1.136 178.443 177.300 0.012 0.000 1.146 833 P CA 0.818 63.921 63.100 0.006 0.000 0.808 833 P CB 0.226 31.932 31.700 0.010 0.000 0.779 834 A N 0.182 123.010 122.820 0.015 0.000 2.125 834 A HA -0.000 4.321 4.320 0.003 0.000 0.219 834 A C 2.328 179.929 177.584 0.029 0.000 1.156 834 A CA 1.643 53.695 52.037 0.026 0.000 0.671 834 A CB -1.535 17.480 19.000 0.024 0.000 0.794 834 A HN 0.346 nan 8.150 nan 0.000 0.459 835 G N -1.454 107.348 108.800 0.005 0.000 3.088 835 G HA2 0.147 4.109 3.960 0.003 0.000 0.217 835 G HA3 0.147 4.109 3.960 0.003 0.000 0.217 835 G C 0.602 175.468 174.900 -0.057 0.000 1.159 835 G CA 0.121 45.209 45.100 -0.020 0.000 0.760 835 G HN 0.590 nan 8.290 nan 0.000 0.550 836 Q N 1.402 121.183 119.800 -0.032 0.000 2.264 836 Q HA 0.152 4.494 4.340 0.003 0.000 0.296 836 Q C 0.273 176.215 176.000 -0.097 0.000 1.103 836 Q CA 0.378 56.152 55.803 -0.047 0.000 0.967 836 Q CB 0.112 28.847 28.738 -0.006 0.000 1.090 836 Q HN 0.610 nan 8.270 nan 0.000 0.379 837 R N 2.876 123.283 120.500 -0.156 0.000 2.765 837 R HA 0.475 4.817 4.340 0.003 0.000 0.277 837 R C -1.641 174.520 176.300 -0.232 0.000 1.028 837 R CA -0.885 55.071 56.100 -0.240 0.000 0.860 837 R CB 0.682 30.672 30.300 -0.517 0.000 1.270 837 R HN 0.462 nan 8.270 nan 0.000 0.484 838 I N 1.863 122.286 120.570 -0.245 0.000 2.465 838 I HA 0.421 4.592 4.170 0.003 0.000 0.291 838 I C -0.222 175.652 176.117 -0.405 0.000 1.014 838 I CA -1.121 59.949 61.300 -0.382 0.000 1.093 838 I CB 2.149 39.821 38.000 -0.547 0.000 1.267 838 I HN 0.410 nan 8.210 nan 0.000 0.431 839 I N 6.037 126.361 120.570 -0.410 0.000 2.304 839 I HA 0.288 4.460 4.170 0.003 0.000 0.291 839 I C -0.801 175.097 176.117 -0.364 0.000 1.018 839 I CA -0.273 60.868 61.300 -0.266 0.000 1.260 839 I CB 0.500 38.397 38.000 -0.171 0.000 1.390 839 I HN 0.312 nan 8.210 nan 0.000 0.475 840 F N 5.611 125.529 119.950 -0.053 0.000 2.408 840 F HA 0.475 5.004 4.527 0.003 0.000 0.344 840 F C 0.289 176.077 175.800 -0.020 0.000 1.112 840 F CA -0.520 57.457 58.000 -0.037 0.000 1.096 840 F CB 1.375 40.358 39.000 -0.030 0.000 1.129 840 F HN 0.378 nan 8.300 nan 0.000 0.486 841 C N 2.133 121.512 119.300 0.131 0.000 2.609 841 C HA 0.624 5.086 4.460 0.003 0.000 0.313 841 C C 1.233 176.261 174.990 0.063 0.000 1.175 841 C CA -0.422 58.642 59.018 0.076 0.000 1.434 841 C CB 0.803 28.561 27.740 0.030 0.000 2.005 841 C HN 1.034 nan 8.230 nan 0.000 0.471 842 G N 2.753 111.584 108.800 0.051 0.000 2.848 842 G HA2 0.425 4.386 3.960 0.003 0.000 0.208 842 G HA3 0.425 4.386 3.960 0.003 0.000 0.208 842 G C 0.617 175.530 174.900 0.022 0.000 1.152 842 G CA 0.827 45.947 45.100 0.033 0.000 0.789 842 G HN 1.171 nan 8.290 nan 0.000 0.531 843 G N -0.515 108.297 108.800 0.021 0.000 3.140 843 G HA2 0.463 4.425 3.960 0.003 0.000 0.271 843 G HA3 0.463 4.425 3.960 0.003 0.000 0.271 843 G C 0.662 175.570 174.900 0.012 0.000 1.370 843 G CA 0.067 45.176 45.100 0.014 0.000 1.014 843 G HN 0.041 nan 8.290 nan 0.000 0.541 844 E N -0.707 119.499 120.200 0.010 0.000 2.435 844 E HA 0.168 4.520 4.350 0.003 0.000 0.195 844 E C 0.842 177.447 176.600 0.009 0.000 1.029 844 E CA 0.575 56.982 56.400 0.011 0.000 0.865 844 E CB 0.414 30.121 29.700 0.011 0.000 0.833 844 E HN 0.537 nan 8.360 nan 0.000 0.510 845 G N 0.457 109.261 108.800 0.005 0.000 2.680 845 G HA2 0.313 4.275 3.960 0.003 0.000 0.290 845 G HA3 0.313 4.275 3.960 0.003 0.000 0.290 845 G C 0.592 175.488 174.900 -0.005 0.000 1.355 845 G CA 0.053 45.153 45.100 0.001 0.000 0.903 845 G HN 0.009 nan 8.290 nan 0.000 0.474 846 T N -2.292 112.255 114.554 -0.012 0.000 2.915 846 T HA 0.004 4.355 4.350 0.003 0.000 0.269 846 T C 1.571 176.266 174.700 -0.008 0.000 1.071 846 T CA 1.229 63.317 62.100 -0.020 0.000 1.132 846 T CB -0.159 68.691 68.868 -0.030 0.000 0.878 846 T HN 0.642 nan 8.240 nan 0.000 0.479 847 S N 1.843 117.542 115.700 -0.001 0.000 2.533 847 S HA 0.213 4.685 4.470 0.003 0.000 0.282 847 S C 1.584 176.191 174.600 0.012 0.000 1.304 847 S CA -0.036 58.168 58.200 0.006 0.000 1.063 847 S CB 0.553 63.757 63.200 0.006 0.000 0.881 847 S HN 0.603 nan 8.310 nan 0.000 0.493 848 S N 3.174 118.886 115.700 0.021 0.000 2.500 848 S HA -0.121 4.351 4.470 0.003 0.000 0.239 848 S C 1.820 176.433 174.600 0.023 0.000 0.989 848 S CA 1.212 59.429 58.200 0.028 0.000 0.951 848 S CB -1.135 62.090 63.200 0.042 0.000 0.759 848 S HN 0.963 nan 8.310 nan 0.000 0.523 849 T N 0.099 114.664 114.554 0.017 0.000 2.929 849 T HA -0.127 4.225 4.350 0.003 0.000 0.271 849 T C 1.896 176.602 174.700 0.010 0.000 1.085 849 T CA 1.639 63.746 62.100 0.013 0.000 1.125 849 T CB -1.304 67.570 68.868 0.011 0.000 0.874 849 T HN 0.688 nan 8.240 nan 0.000 0.494 850 T N -1.838 112.722 114.554 0.011 0.000 3.067 850 T HA 0.502 4.853 4.350 0.003 0.000 0.261 850 T C 0.952 175.658 174.700 0.010 0.000 1.110 850 T CA 0.281 62.386 62.100 0.009 0.000 1.113 850 T CB -0.146 68.727 68.868 0.008 0.000 0.917 850 T HN 0.848 nan 8.240 nan 0.000 0.499 851 G N -0.020 108.788 108.800 0.014 0.000 2.338 851 G HA2 0.527 4.489 3.960 0.003 0.000 0.295 851 G HA3 0.527 4.489 3.960 0.003 0.000 0.295 851 G C -0.994 173.920 174.900 0.022 0.000 1.461 851 G CA -0.592 44.517 45.100 0.015 0.000 0.817 851 G HN 0.496 nan 8.290 nan 0.000 0.556 852 A N -0.122 122.710 122.820 0.019 0.000 2.498 852 A HA 0.594 4.915 4.320 0.003 0.000 0.239 852 A C 0.378 178.000 177.584 0.064 0.000 1.068 852 A CA 0.527 52.583 52.037 0.032 0.000 0.766 852 A CB 0.216 19.223 19.000 0.012 0.000 1.003 852 A HN 0.671 nan 8.150 nan 0.000 0.497 853 Q N 0.443 120.299 119.800 0.093 0.000 2.397 853 Q HA 0.651 4.993 4.340 0.003 0.000 0.275 853 Q C -1.433 174.655 176.000 0.147 0.000 1.090 853 Q CA -0.431 55.440 55.803 0.113 0.000 0.809 853 Q CB 2.539 31.330 28.738 0.088 0.000 1.362 853 Q HN 0.713 nan 8.270 nan 0.000 0.431 854 I N 1.234 121.899 120.570 0.158 0.000 2.465 854 I HA 0.383 4.554 4.170 0.003 0.000 0.291 854 I C -0.694 175.525 176.117 0.170 0.000 1.014 854 I CA -0.532 60.833 61.300 0.109 0.000 1.093 854 I CB 2.338 40.370 38.000 0.054 0.000 1.267 854 I HN 0.471 nan 8.210 nan 0.000 0.431 855 T N 7.006 121.612 114.554 0.087 0.000 2.786 855 T HA 0.522 4.874 4.350 0.003 0.000 0.283 855 T C -0.275 174.502 174.700 0.128 0.000 0.992 855 T CA -0.477 61.672 62.100 0.083 0.000 0.954 855 T CB 0.935 69.817 68.868 0.023 0.000 0.934 855 T HN 0.264 nan 8.240 nan 0.000 0.440 856 L N 4.071 125.371 121.223 0.127 0.000 2.257 856 L HA 0.465 4.807 4.340 0.003 0.000 0.290 856 L C -0.641 176.288 176.870 0.099 0.000 1.044 856 L CA -0.938 53.995 54.840 0.156 0.000 0.810 856 L CB 0.446 42.618 42.059 0.188 0.000 1.193 856 L HN 0.644 nan 8.230 nan 0.000 0.425 857 Y N 1.302 121.602 120.300 -0.000 0.000 2.308 857 Y HA 0.398 4.949 4.550 0.003 0.000 0.329 857 Y C 1.220 177.126 175.900 0.011 0.000 1.111 857 Y CA -0.521 57.578 58.100 -0.001 0.000 1.179 857 Y CB 1.600 40.056 38.460 -0.007 0.000 1.201 857 Y HN 0.647 nan 8.280 nan 0.000 0.483 858 G N 0.693 109.563 108.800 0.116 0.000 2.634 858 G HA2 0.299 4.261 3.960 0.003 0.000 0.255 858 G HA3 0.299 4.261 3.960 0.003 0.000 0.255 858 G C 0.799 175.757 174.900 0.096 0.000 1.205 858 G CA -0.064 45.089 45.100 0.088 0.000 0.884 858 G HN 0.874 nan 8.290 nan 0.000 0.549 859 A N 0.330 123.194 122.820 0.074 0.000 2.019 859 A HA -0.084 4.238 4.320 0.003 0.000 0.219 859 A C 2.099 179.714 177.584 0.052 0.000 1.164 859 A CA 1.357 53.429 52.037 0.059 0.000 0.644 859 A CB -0.261 18.768 19.000 0.047 0.000 0.805 859 A HN 0.632 nan 8.150 nan 0.000 0.449 860 N N 0.388 119.118 118.700 0.050 0.000 2.457 860 N HA -0.066 4.676 4.740 0.003 0.000 0.180 860 N C 0.366 175.905 175.510 0.048 0.000 1.050 860 N CA 0.036 53.110 53.050 0.041 0.000 0.906 860 N CB -0.235 38.271 38.487 0.032 0.000 0.968 860 N HN 0.459 nan 8.380 nan 0.000 0.445 861 N N 1.453 120.196 118.700 0.072 0.000 2.441 861 N HA -0.031 4.711 4.740 0.003 0.000 0.251 861 N C 0.835 176.396 175.510 0.086 0.000 1.242 861 N CA 0.449 53.560 53.050 0.101 0.000 0.898 861 N CB 1.029 39.637 38.487 0.200 0.000 1.100 861 N HN -0.027 nan 8.380 nan 0.000 0.443 862 T N 1.123 115.724 114.554 0.078 0.000 2.737 862 T HA -0.152 4.200 4.350 0.003 0.000 0.269 862 T C -0.037 174.686 174.700 0.039 0.000 1.040 862 T CA 1.231 63.362 62.100 0.052 0.000 1.142 862 T CB -0.094 68.802 68.868 0.048 0.000 0.861 862 T HN 0.526 nan 8.240 nan 0.000 0.456 863 D N 2.759 123.192 120.400 0.054 0.000 2.524 863 D HA 0.196 4.838 4.640 0.003 0.000 0.222 863 D C -0.056 176.238 176.300 -0.010 0.000 1.142 863 D CA -0.026 53.952 54.000 -0.036 0.000 0.973 863 D CB 0.441 41.134 40.800 -0.178 0.000 1.025 863 D HN 0.365 nan 8.370 nan 0.000 0.519 864 S N 1.680 117.387 115.700 0.012 0.000 2.515 864 S HA 0.038 4.510 4.470 0.003 0.000 0.285 864 S C 0.970 175.585 174.600 0.025 0.000 1.265 864 S CA -0.522 57.701 58.200 0.037 0.000 1.079 864 S CB 0.731 63.947 63.200 0.026 0.000 0.877 864 S HN 0.500 nan 8.310 nan 0.000 0.493 865 R N -0.666 119.876 120.500 0.070 0.000 3.875 865 R HA -0.187 4.155 4.340 0.003 0.000 0.321 865 R C 0.338 176.650 176.300 0.020 0.000 1.196 865 R CA 0.978 57.116 56.100 0.063 0.000 0.868 865 R CB -1.656 28.667 30.300 0.039 0.000 1.333 865 R HN 0.870 nan 8.270 nan 0.000 0.522 866 R N 1.483 121.947 120.500 -0.060 0.000 2.643 866 R HA 0.301 4.643 4.340 0.003 0.000 0.270 866 R C -0.102 176.144 176.300 -0.091 0.000 1.061 866 R CA 0.232 56.193 56.100 -0.232 0.000 1.107 866 R CB 0.496 30.370 30.300 -0.710 0.000 0.999 866 R HN 0.185 nan 8.270 nan 0.000 0.460 867 I N 4.120 124.631 120.570 -0.099 0.000 2.436 867 I HA 0.262 4.434 4.170 0.003 0.000 0.289 867 I C -0.826 175.177 176.117 -0.190 0.000 1.010 867 I CA -1.124 60.098 61.300 -0.130 0.000 1.098 867 I CB 2.191 40.029 38.000 -0.270 0.000 1.266 867 I HN 0.314 nan 8.210 nan 0.000 0.434 868 V N 6.689 126.534 119.914 -0.116 0.000 2.384 868 V HA 0.348 4.470 4.120 0.003 0.000 0.287 868 V C -0.954 175.085 176.094 -0.093 0.000 1.020 868 V CA -0.623 61.662 62.300 -0.025 0.000 0.850 868 V CB 1.165 33.058 31.823 0.117 0.000 0.987 868 V HN 0.423 nan 8.190 nan 0.000 0.436 869 Y N 3.445 123.817 120.300 0.121 0.000 2.353 869 Y HA 0.519 5.071 4.550 0.003 0.000 0.340 869 Y C 0.459 176.532 175.900 0.288 0.000 0.972 869 Y CA -0.526 57.676 58.100 0.170 0.000 1.157 869 Y CB 1.142 39.639 38.460 0.062 0.000 1.157 869 Y HN 0.596 nan 8.280 nan 0.000 0.495 870 N N 2.562 121.502 118.700 0.400 0.000 2.573 870 N HA 0.533 5.275 4.740 0.003 0.000 0.262 870 N C -0.815 174.791 175.510 0.161 0.000 1.029 870 N CA -0.236 52.988 53.050 0.290 0.000 0.882 870 N CB 1.139 39.733 38.487 0.177 0.000 1.204 870 N HN 0.877 nan 8.380 nan 0.000 0.519 871 G N 0.744 109.546 108.800 0.003 0.000 2.694 871 G HA2 0.252 4.214 3.960 0.003 0.000 0.290 871 G HA3 0.252 4.214 3.960 0.003 0.000 0.290 871 G C -0.332 174.434 174.900 -0.224 0.000 1.386 871 G CA -0.507 44.483 45.100 -0.183 0.000 0.872 871 G HN 0.334 nan 8.290 nan 0.000 0.475 872 D N -0.296 120.013 120.400 -0.152 0.000 2.349 872 D HA 0.132 4.774 4.640 0.003 0.000 0.215 872 D C 0.341 176.566 176.300 -0.126 0.000 1.016 872 D CA 0.922 54.862 54.000 -0.100 0.000 0.870 872 D CB 0.726 41.495 40.800 -0.050 0.000 0.917 872 D HN 0.505 nan 8.370 nan 0.000 0.524 873 E N -0.364 119.707 120.200 -0.215 0.000 2.343 873 E HA 0.251 4.603 4.350 0.003 0.000 0.278 873 E C -0.849 175.554 176.600 -0.330 0.000 0.910 873 E CA -0.632 55.660 56.400 -0.181 0.000 0.757 873 E CB 2.089 31.731 29.700 -0.097 0.000 1.218 873 E HN 0.040 nan 8.360 nan 0.000 0.435 874 H N 2.739 121.815 119.070 0.011 0.000 2.762 874 H HA 0.348 4.906 4.556 0.003 0.000 0.310 874 H C -0.835 174.457 175.328 -0.059 0.000 1.004 874 H CA -0.389 55.638 56.048 -0.035 0.000 1.267 874 H CB 0.641 30.456 29.762 0.088 0.000 1.437 874 H HN 0.286 nan 8.280 nan 0.000 0.498 875 L N 4.345 125.501 121.223 -0.112 0.000 2.316 875 L HA 0.322 4.664 4.340 0.003 0.000 0.280 875 L C -0.543 176.189 176.870 -0.231 0.000 1.006 875 L CA -0.652 54.141 54.840 -0.079 0.000 0.836 875 L CB 0.924 42.946 42.059 -0.061 0.000 1.221 875 L HN 0.347 nan 8.230 nan 0.000 0.418 876 F N 2.414 122.366 119.950 0.004 0.000 2.350 876 F HA 0.340 4.869 4.527 0.003 0.000 0.365 876 F C 0.590 176.384 175.800 -0.009 0.000 1.122 876 F CA -0.135 57.859 58.000 -0.008 0.000 1.139 876 F CB 1.114 40.097 39.000 -0.027 0.000 1.220 876 F HN 0.479 nan 8.300 nan 0.000 0.499 877 Q N 1.547 121.396 119.800 0.082 0.000 2.235 877 Q HA 0.404 4.746 4.340 0.003 0.000 0.256 877 Q C 0.583 176.619 176.000 0.060 0.000 0.951 877 Q CA -0.138 55.695 55.803 0.050 0.000 0.890 877 Q CB 1.445 30.187 28.738 0.006 0.000 1.279 877 Q HN 0.807 nan 8.270 nan 0.000 0.444 878 S N -0.563 115.164 115.700 0.044 0.000 2.691 878 S HA -0.237 4.235 4.470 0.003 0.000 0.262 878 S C -0.505 174.117 174.600 0.036 0.000 1.284 878 S CA 1.017 59.237 58.200 0.034 0.000 1.372 878 S CB -1.430 61.786 63.200 0.028 0.000 1.693 878 S HN 0.991 nan 8.310 nan 0.000 0.647 879 A N 0.334 123.184 122.820 0.051 0.000 2.612 879 A HA 0.596 4.918 4.320 0.003 0.000 0.293 879 A C -1.403 176.199 177.584 0.031 0.000 1.075 879 A CA -0.722 51.337 52.037 0.037 0.000 0.680 879 A CB 0.820 19.844 19.000 0.040 0.000 1.279 879 A HN 0.078 nan 8.150 nan 0.000 0.411 880 D N 0.476 120.876 120.400 -0.000 0.000 2.419 880 D HA 0.270 4.912 4.640 0.003 0.000 0.236 880 D C 0.026 176.287 176.300 -0.065 0.000 1.165 880 D CA 0.376 54.357 54.000 -0.032 0.000 0.882 880 D CB 0.827 41.603 40.800 -0.040 0.000 1.201 880 D HN 0.189 nan 8.370 nan 0.000 0.443 881 V N 2.945 122.776 119.914 -0.138 0.000 2.353 881 V HA 0.139 4.261 4.120 0.003 0.000 0.264 881 V C 0.594 176.583 176.094 -0.176 0.000 1.049 881 V CA -0.045 62.100 62.300 -0.257 0.000 0.896 881 V CB 0.126 31.673 31.823 -0.460 0.000 1.025 881 V HN 0.281 nan 8.190 nan 0.000 0.475 882 K N 5.416 125.741 120.400 -0.125 0.000 2.328 882 K HA 0.653 4.975 4.320 0.003 0.000 0.246 882 K C -2.378 174.195 176.600 -0.046 0.000 0.955 882 K CA -1.608 54.633 56.287 -0.077 0.000 0.817 882 K CB 2.106 34.572 32.500 -0.057 0.000 1.208 882 K HN 0.471 nan 8.250 nan 0.000 0.432 883 P HA 0.057 nan 4.420 nan 0.000 0.277 883 P C -0.080 177.256 177.300 0.060 0.000 1.240 883 P CA -0.301 62.815 63.100 0.027 0.000 0.798 883 P CB 0.578 32.291 31.700 0.021 0.000 0.979 884 Y N 2.092 122.385 120.300 -0.013 0.000 2.200 884 Y HA -0.126 4.426 4.550 0.003 0.000 0.290 884 Y C 0.609 176.505 175.900 -0.006 0.000 1.137 884 Y CA 1.326 59.423 58.100 -0.006 0.000 1.163 884 Y CB 0.066 38.528 38.460 0.003 0.000 0.988 884 Y HN 0.427 nan 8.280 nan 0.000 0.518 885 N N -0.084 118.716 118.700 0.167 0.000 2.459 885 N HA 0.159 4.901 4.740 0.003 0.000 0.288 885 N C -1.696 173.829 175.510 0.024 0.000 1.186 885 N CA -0.690 52.410 53.050 0.083 0.000 0.917 885 N CB 0.844 39.412 38.487 0.135 0.000 1.219 885 N HN -0.010 nan 8.380 nan 0.000 0.525 886 D N 0.247 120.651 120.400 0.006 0.000 2.280 886 D HA 0.202 4.844 4.640 0.003 0.000 0.243 886 D C -0.526 175.776 176.300 0.005 0.000 1.129 886 D CA 0.018 54.016 54.000 -0.005 0.000 0.848 886 D CB 0.145 40.936 40.800 -0.015 0.000 1.107 886 D HN 0.506 nan 8.370 nan 0.000 0.471 887 N N 2.930 121.632 118.700 0.003 0.000 2.740 887 N HA -0.177 4.565 4.740 0.003 0.000 0.248 887 N C -0.366 175.150 175.510 0.011 0.000 1.062 887 N CA 0.971 54.023 53.050 0.004 0.000 0.704 887 N CB -0.981 37.506 38.487 0.001 0.000 0.968 887 N HN 0.241 nan 8.380 nan 0.000 0.547 888 V N -1.970 117.954 119.914 0.018 0.000 3.137 888 V HA 0.221 4.343 4.120 0.003 0.000 0.236 888 V C 1.040 177.147 176.094 0.022 0.000 1.260 888 V CA 1.356 63.670 62.300 0.022 0.000 1.244 888 V CB 0.738 32.581 31.823 0.034 0.000 1.016 888 V HN 0.613 nan 8.190 nan 0.000 0.477 889 T N -0.882 113.687 114.554 0.025 0.000 2.932 889 T HA 0.861 5.213 4.350 0.003 0.000 0.289 889 T C -0.413 174.300 174.700 0.021 0.000 1.039 889 T CA -0.123 61.992 62.100 0.024 0.000 1.024 889 T CB 2.443 71.330 68.868 0.031 0.000 1.090 889 T HN 0.357 nan 8.240 nan 0.000 0.496 890 A N 1.465 124.300 122.820 0.025 0.000 2.313 890 A HA 0.797 5.119 4.320 0.003 0.000 0.323 890 A C -0.456 177.160 177.584 0.054 0.000 1.133 890 A CA -1.124 50.932 52.037 0.032 0.000 0.847 890 A CB 0.731 19.749 19.000 0.030 0.000 1.308 890 A HN 0.892 nan 8.150 nan 0.000 0.475 891 L N 1.859 123.128 121.223 0.076 0.000 2.260 891 L HA 0.540 4.882 4.340 0.003 0.000 0.289 891 L C 1.066 178.070 176.870 0.224 0.000 1.057 891 L CA 0.840 55.784 54.840 0.173 0.000 0.811 891 L CB 0.348 42.476 42.059 0.116 0.000 1.184 891 L HN 1.322 nan 8.230 nan 0.000 0.429 892 G N 2.692 111.617 108.800 0.208 0.000 2.750 892 G HA2 0.128 4.090 3.960 0.003 0.000 0.228 892 G HA3 0.128 4.090 3.960 0.003 0.000 0.228 892 G C -0.230 174.659 174.900 -0.018 0.000 1.367 892 G CA -0.460 44.633 45.100 -0.012 0.000 0.871 892 G HN 1.076 nan 8.290 nan 0.000 0.560 893 G N -2.478 106.288 108.800 -0.057 0.000 2.649 893 G HA2 0.758 4.720 3.960 0.003 0.000 0.290 893 G HA3 0.758 4.720 3.960 0.003 0.000 0.290 893 G C -1.962 172.915 174.900 -0.038 0.000 1.426 893 G CA 0.342 45.421 45.100 -0.035 0.000 0.794 893 G HN 0.604 nan 8.290 nan 0.000 0.483 894 P HA 0.016 nan 4.420 nan 0.000 0.218 894 P C 1.409 178.691 177.300 -0.030 0.000 1.148 894 P CA 1.320 64.407 63.100 -0.022 0.000 0.822 894 P CB 0.349 32.040 31.700 -0.016 0.000 0.784 895 S N -1.790 113.886 115.700 -0.039 0.000 2.554 895 S HA 0.166 4.638 4.470 0.003 0.000 0.226 895 S C 0.255 174.815 174.600 -0.066 0.000 0.980 895 S CA -0.148 58.026 58.200 -0.043 0.000 0.939 895 S CB -0.446 62.733 63.200 -0.035 0.000 0.832 895 S HN 0.173 nan 8.310 nan 0.000 0.486 896 N N 1.738 120.383 118.700 -0.093 0.000 2.711 896 N HA 0.243 4.985 4.740 0.003 0.000 0.263 896 N C -0.970 174.405 175.510 -0.224 0.000 1.667 896 N CA -0.337 52.618 53.050 -0.159 0.000 0.785 896 N CB 0.809 39.193 38.487 -0.171 0.000 1.231 896 N HN 0.066 nan 8.380 nan 0.000 0.503 897 R N 0.368 120.774 120.500 -0.158 0.000 2.357 897 R HA 0.367 4.708 4.340 0.003 0.000 0.296 897 R C -0.414 175.789 176.300 -0.162 0.000 1.052 897 R CA -0.422 55.608 56.100 -0.116 0.000 0.988 897 R CB 0.884 31.168 30.300 -0.028 0.000 1.025 897 R HN 0.193 nan 8.270 nan 0.000 0.469 898 F N 0.700 120.654 119.950 0.007 0.000 2.471 898 F HA -0.025 4.504 4.527 0.003 0.000 0.353 898 F C 2.156 177.965 175.800 0.014 0.000 1.113 898 F CA 0.150 58.160 58.000 0.017 0.000 1.262 898 F CB 1.052 40.061 39.000 0.015 0.000 1.146 898 F HN 0.668 nan 8.300 nan 0.000 0.578 899 T N -1.852 112.834 114.554 0.221 0.000 2.720 899 T HA -0.093 4.259 4.350 0.003 0.000 0.268 899 T C 0.766 175.513 174.700 0.079 0.000 1.037 899 T CA 1.618 63.791 62.100 0.123 0.000 1.144 899 T CB -0.194 68.747 68.868 0.122 0.000 0.864 899 T HN 0.675 nan 8.240 nan 0.000 0.444 900 T N -0.669 113.933 114.554 0.079 0.000 2.658 900 T HA 0.567 4.919 4.350 0.003 0.000 0.305 900 T C -2.317 172.347 174.700 -0.060 0.000 1.551 900 T CA -0.306 61.768 62.100 -0.043 0.000 0.985 900 T CB 1.077 69.828 68.868 -0.196 0.000 1.731 900 T HN 0.684 nan 8.240 nan 0.000 0.486 901 A N 1.412 124.141 122.820 -0.151 0.000 2.343 901 A HA 0.736 5.058 4.320 0.003 0.000 0.308 901 A C -1.774 175.703 177.584 -0.178 0.000 1.092 901 A CA -0.455 51.509 52.037 -0.120 0.000 0.751 901 A CB 0.606 19.543 19.000 -0.105 0.000 1.203 901 A HN 0.688 nan 8.150 nan 0.000 0.452 902 Y N 2.602 122.873 120.300 -0.049 0.000 2.425 902 Y HA 0.525 5.077 4.550 0.003 0.000 0.347 902 Y C 0.121 175.998 175.900 -0.038 0.000 0.976 902 Y CA 0.145 58.226 58.100 -0.032 0.000 1.190 902 Y CB 0.716 39.163 38.460 -0.022 0.000 1.136 902 Y HN 0.500 nan 8.280 nan 0.000 0.517 903 L N 1.188 122.452 121.223 0.067 0.000 2.354 903 L HA 0.581 4.923 4.340 0.003 0.000 0.264 903 L C 1.113 178.001 176.870 0.031 0.000 1.008 903 L CA -0.853 54.005 54.840 0.029 0.000 0.819 903 L CB 2.185 44.238 42.059 -0.010 0.000 1.339 903 L HN 0.713 nan 8.230 nan 0.000 0.420 904 G N -0.093 108.719 108.800 0.019 0.000 3.042 904 G HA2 0.200 4.161 3.960 0.003 0.000 0.212 904 G HA3 0.200 4.161 3.960 0.003 0.000 0.212 904 G C 0.264 175.167 174.900 0.005 0.000 1.166 904 G CA 0.656 45.765 45.100 0.015 0.000 0.767 904 G HN 0.599 nan 8.290 nan 0.000 0.546 905 S N -0.992 114.707 115.700 -0.001 0.000 2.587 905 S HA 0.376 4.848 4.470 0.003 0.000 0.269 905 S C -1.128 173.464 174.600 -0.013 0.000 1.154 905 S CA -1.037 57.159 58.200 -0.007 0.000 0.824 905 S CB 1.214 64.410 63.200 -0.007 0.000 1.118 905 S HN -0.046 nan 8.310 nan 0.000 0.462 906 N N 1.904 120.595 118.700 -0.014 0.000 2.374 906 N HA 0.310 5.052 4.740 0.003 0.000 0.241 906 N C -2.506 172.992 175.510 -0.020 0.000 1.262 906 N CA -0.548 52.491 53.050 -0.018 0.000 0.880 906 N CB -0.453 38.024 38.487 -0.016 0.000 1.105 906 N HN 0.501 nan 8.380 nan 0.000 0.438 907 P HA 0.097 nan 4.420 nan 0.000 0.266 907 P C -0.194 177.094 177.300 -0.019 0.000 1.195 907 P CA 0.269 63.355 63.100 -0.024 0.000 0.768 907 P CB 0.435 32.120 31.700 -0.024 0.000 0.838 908 I N 3.048 123.607 120.570 -0.020 0.000 2.291 908 I HA 0.112 4.283 4.170 0.003 0.000 0.292 908 I C -0.183 175.925 176.117 -0.016 0.000 1.064 908 I CA -0.398 60.891 61.300 -0.017 0.000 1.269 908 I CB 0.533 38.523 38.000 -0.017 0.000 1.418 908 I HN -0.021 nan 8.210 nan 0.000 0.485 909 V N 5.670 125.576 119.914 -0.014 0.000 2.370 909 V HA 0.521 4.643 4.120 0.003 0.000 0.283 909 V C 0.155 176.242 176.094 -0.010 0.000 1.023 909 V CA -0.190 62.103 62.300 -0.012 0.000 0.857 909 V CB 1.556 33.373 31.823 -0.011 0.000 0.985 909 V HN 0.767 nan 8.190 nan 0.000 0.443 910 T N 0.000 114.548 114.554 -0.010 0.000 3.816 910 T HA 0.000 4.352 4.350 0.003 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.009 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658