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 1v0e_1_C DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT 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 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.659 174.600 0.098 0.000 1.055 245 S CA 0.000 58.243 58.200 0.073 0.000 1.107 245 S CB 0.000 63.239 63.200 0.065 0.000 0.593 246 A N 2.862 125.768 122.820 0.142 0.000 2.477 246 A HA 0.547 4.868 4.320 0.000 0.000 0.246 246 A C 1.155 178.859 177.584 0.201 0.000 1.078 246 A CA -0.377 51.787 52.037 0.213 0.000 0.770 246 A CB 0.201 19.399 19.000 0.330 0.000 1.011 246 A HN 0.768 nan 8.150 nan 0.000 0.494 247 K N 2.014 122.497 120.400 0.138 0.000 2.116 247 K HA 0.043 4.363 4.320 0.000 0.000 0.203 247 K C 1.328 177.903 176.600 -0.041 0.000 1.052 247 K CA 0.997 57.316 56.287 0.053 0.000 0.952 247 K CB -0.578 31.937 32.500 0.026 0.000 0.729 247 K HN 1.657 nan 8.250 nan 0.000 0.446 248 G N 3.808 112.503 108.800 -0.176 0.000 2.338 248 G HA2 -0.236 3.724 3.960 0.000 0.000 0.296 248 G HA3 -0.236 3.724 3.960 0.000 0.000 0.296 248 G C -0.090 174.577 174.900 -0.389 0.000 1.040 248 G CA 0.836 45.502 45.100 -0.724 0.000 1.004 248 G HN 0.465 nan 8.290 nan 0.000 0.509 249 D N -1.641 118.636 120.400 -0.205 0.000 2.431 249 D HA 0.382 5.022 4.640 0.000 0.000 0.213 249 D C 1.736 177.991 176.300 -0.075 0.000 1.130 249 D CA 0.296 54.228 54.000 -0.113 0.000 0.834 249 D CB -0.336 40.429 40.800 -0.058 0.000 0.985 249 D HN 1.412 nan 8.370 nan 0.000 0.504 250 G N 0.198 108.947 108.800 -0.085 0.000 2.189 250 G HA2 -0.342 3.618 3.960 0.000 0.000 0.267 250 G HA3 -0.342 3.618 3.960 0.000 0.000 0.267 250 G C 0.955 175.867 174.900 0.020 0.000 0.975 250 G CA 1.387 46.482 45.100 -0.008 0.000 0.644 250 G HN 0.969 nan 8.290 nan 0.000 0.537 251 V N -4.399 115.518 119.914 0.005 0.000 3.165 251 V HA 0.423 4.543 4.120 0.000 0.000 0.231 251 V C 1.172 177.277 176.094 0.018 0.000 1.365 251 V CA 1.196 63.505 62.300 0.014 0.000 1.286 251 V CB -0.077 31.752 31.823 0.009 0.000 1.081 251 V HN 0.285 nan 8.190 nan 0.000 0.477 252 T N 3.237 117.800 114.554 0.016 0.000 2.888 252 T HA 0.214 4.564 4.350 0.000 0.000 0.301 252 T C -0.310 174.416 174.700 0.045 0.000 1.001 252 T CA 0.593 62.709 62.100 0.027 0.000 1.147 252 T CB 0.605 69.487 68.868 0.025 0.000 0.931 252 T HN 0.569 nan 8.240 nan 0.000 0.541 253 D N 2.180 122.607 120.400 0.044 0.000 2.363 253 D HA 0.017 4.657 4.640 0.000 0.000 0.263 253 D C 0.276 176.618 176.300 0.070 0.000 1.258 253 D CA -0.139 53.893 54.000 0.054 0.000 0.907 253 D CB 0.460 41.283 40.800 0.039 0.000 1.107 253 D HN 0.332 nan 8.370 nan 0.000 0.495 254 D N 2.414 122.876 120.400 0.103 0.000 2.363 254 D HA 0.009 4.649 4.640 0.000 0.000 0.214 254 D C 1.453 177.811 176.300 0.097 0.000 1.093 254 D CA 0.164 54.245 54.000 0.135 0.000 0.837 254 D CB 0.484 41.440 40.800 0.260 0.000 0.948 254 D HN 0.399 nan 8.370 nan 0.000 0.507 255 T N 0.515 115.101 114.554 0.054 0.000 2.635 255 T HA -0.223 4.127 4.350 0.000 0.000 0.267 255 T C 2.023 176.730 174.700 0.011 0.000 1.040 255 T CA 1.814 63.918 62.100 0.007 0.000 1.156 255 T CB -0.085 68.775 68.868 -0.013 0.000 0.863 255 T HN 0.239 nan 8.240 nan 0.000 0.430 256 A N 1.255 124.088 122.820 0.021 0.000 1.898 256 A HA 0.231 4.551 4.320 0.000 0.000 0.216 256 A C 2.656 180.258 177.584 0.030 0.000 1.181 256 A CA 1.785 53.833 52.037 0.018 0.000 0.620 256 A CB -1.094 17.917 19.000 0.018 0.000 0.819 256 A HN 0.521 nan 8.150 nan 0.000 0.442 257 A N -0.706 122.143 122.820 0.049 0.000 1.933 257 A HA -0.005 4.315 4.320 0.000 0.000 0.218 257 A C 1.994 179.618 177.584 0.067 0.000 1.175 257 A CA 1.662 53.736 52.037 0.061 0.000 0.628 257 A CB -0.467 18.583 19.000 0.084 0.000 0.814 257 A HN 0.382 nan 8.150 nan 0.000 0.444 258 L N -0.394 120.875 121.223 0.077 0.000 2.056 258 L HA -0.082 4.258 4.340 0.000 0.000 0.207 258 L C 2.664 179.584 176.870 0.083 0.000 1.078 258 L CA 2.276 57.180 54.840 0.106 0.000 0.749 258 L CB -1.532 40.585 42.059 0.096 0.000 0.901 258 L HN 0.352 nan 8.230 nan 0.000 0.433 259 T N -1.588 112.988 114.554 0.036 0.000 2.746 259 T HA -0.188 4.162 4.350 0.000 0.000 0.267 259 T C 2.183 176.889 174.700 0.010 0.000 1.039 259 T CA 1.661 63.768 62.100 0.012 0.000 1.142 259 T CB -0.160 68.703 68.868 -0.008 0.000 0.866 259 T HN 0.330 nan 8.240 nan 0.000 0.444 260 S N 0.733 116.442 115.700 0.015 0.000 2.368 260 S HA -0.077 4.393 4.470 0.000 0.000 0.225 260 S C 2.363 176.967 174.600 0.006 0.000 1.030 260 S CA 1.387 59.593 58.200 0.010 0.000 0.999 260 S CB -0.496 62.714 63.200 0.016 0.000 0.844 260 S HN 0.514 nan 8.310 nan 0.000 0.459 261 A N 1.382 124.212 122.820 0.017 0.000 1.877 261 A HA 0.058 4.379 4.320 0.000 0.000 0.216 261 A C 2.225 179.789 177.584 -0.033 0.000 1.186 261 A CA 1.459 53.496 52.037 0.000 0.000 0.620 261 A CB -0.883 18.129 19.000 0.019 0.000 0.822 261 A HN 0.567 nan 8.150 nan 0.000 0.443 262 L N -0.390 120.817 121.223 -0.027 0.000 2.079 262 L HA -0.237 4.103 4.340 0.000 0.000 0.210 262 L C 2.259 179.097 176.870 -0.053 0.000 1.081 262 L CA 1.731 56.532 54.840 -0.065 0.000 0.752 262 L CB -0.611 41.428 42.059 -0.032 0.000 0.896 262 L HN 0.506 nan 8.230 nan 0.000 0.433 263 N N -0.633 118.048 118.700 -0.032 0.000 2.381 263 N HA -0.149 4.591 4.740 0.000 0.000 0.182 263 N C 0.625 176.118 175.510 -0.029 0.000 1.025 263 N CA 0.696 53.728 53.050 -0.029 0.000 0.888 263 N CB 0.122 38.598 38.487 -0.019 0.000 0.965 263 N HN 0.276 nan 8.380 nan 0.000 0.438 264 D N -0.321 120.062 120.400 -0.029 0.000 2.349 264 D HA 0.024 4.665 4.640 0.000 0.000 0.214 264 D C 0.178 176.457 176.300 -0.034 0.000 1.063 264 D CA 0.483 54.467 54.000 -0.026 0.000 0.847 264 D CB 0.378 41.167 40.800 -0.017 0.000 0.933 264 D HN 0.241 nan 8.370 nan 0.000 0.513 265 T N -1.769 112.755 114.554 -0.049 0.000 2.893 265 T HA 0.636 4.986 4.350 0.000 0.000 0.291 265 T C -2.863 171.799 174.700 -0.062 0.000 1.028 265 T CA -2.052 60.012 62.100 -0.059 0.000 0.995 265 T CB 2.351 71.168 68.868 -0.085 0.000 1.051 265 T HN -0.330 nan 8.240 nan 0.000 0.470 266 P HA 0.150 nan 4.420 nan 0.000 0.269 266 P C 1.515 178.776 177.300 -0.064 0.000 1.209 266 P CA -0.648 62.422 63.100 -0.050 0.000 0.776 266 P CB 0.492 32.168 31.700 -0.041 0.000 0.876 267 V N 0.234 120.114 119.914 -0.057 0.000 2.759 267 V HA -0.044 4.076 4.120 0.000 0.000 0.256 267 V C 1.817 177.872 176.094 -0.065 0.000 1.080 267 V CA 2.020 64.281 62.300 -0.065 0.000 1.101 267 V CB -1.713 30.079 31.823 -0.051 0.000 0.698 267 V HN 0.626 nan 8.190 nan 0.000 0.477 268 G N -0.289 108.479 108.800 -0.052 0.000 2.712 268 G HA2 -0.043 3.917 3.960 0.000 0.000 0.212 268 G HA3 -0.043 3.917 3.960 0.000 0.000 0.212 268 G C 0.795 175.664 174.900 -0.051 0.000 1.142 268 G CA 0.312 45.386 45.100 -0.044 0.000 0.789 268 G HN 0.610 nan 8.290 nan 0.000 0.535 269 Q N 1.492 121.252 119.800 -0.066 0.000 2.311 269 Q HA 0.172 4.512 4.340 0.000 0.000 0.272 269 Q C -0.182 175.760 176.000 -0.097 0.000 1.012 269 Q CA 0.075 55.834 55.803 -0.073 0.000 0.891 269 Q CB 0.542 29.232 28.738 -0.080 0.000 1.201 269 Q HN -0.028 nan 8.270 nan 0.000 0.391 270 K N 5.468 125.826 120.400 -0.071 0.000 2.284 270 K HA 0.245 4.566 4.320 0.000 0.000 0.287 270 K C -0.399 176.148 176.600 -0.089 0.000 1.081 270 K CA -0.196 56.047 56.287 -0.072 0.000 0.910 270 K CB 0.284 32.771 32.500 -0.021 0.000 1.088 270 K HN 0.674 nan 8.250 nan 0.000 0.478 271 I N 2.938 123.399 120.570 -0.183 0.000 2.379 271 I HA -0.026 4.144 4.170 0.000 0.000 0.290 271 I C 0.751 176.862 176.117 -0.009 0.000 1.063 271 I CA -0.294 60.898 61.300 -0.181 0.000 1.351 271 I CB 0.142 37.853 38.000 -0.481 0.000 1.410 271 I HN 0.343 nan 8.210 nan 0.000 0.505 272 N N 5.459 124.180 118.700 0.034 0.000 2.406 272 N HA 0.158 4.898 4.740 0.000 0.000 0.251 272 N C 0.800 176.389 175.510 0.131 0.000 1.069 272 N CA -0.037 53.067 53.050 0.089 0.000 0.947 272 N CB 1.736 40.261 38.487 0.064 0.000 1.111 272 N HN 0.749 nan 8.380 nan 0.000 0.497 273 G N 2.229 111.136 108.800 0.178 0.000 2.985 273 G HA2 -0.086 3.874 3.960 0.000 0.000 0.209 273 G HA3 -0.086 3.874 3.960 0.000 0.000 0.209 273 G C 0.380 175.458 174.900 0.296 0.000 1.165 273 G CA -0.317 44.921 45.100 0.231 0.000 0.776 273 G HN 0.797 nan 8.290 nan 0.000 0.541 274 N N -0.460 118.357 118.700 0.195 0.000 2.725 274 N HA -0.211 4.529 4.740 0.000 0.000 0.249 274 N C 1.444 177.041 175.510 0.144 0.000 1.103 274 N CA 1.419 54.555 53.050 0.143 0.000 0.707 274 N CB -1.460 37.100 38.487 0.122 0.000 1.043 274 N HN 1.038 nan 8.380 nan 0.000 0.553 275 G N -0.906 108.022 108.800 0.213 0.000 2.168 275 G HA2 -0.378 3.582 3.960 0.000 0.000 0.257 275 G HA3 -0.378 3.582 3.960 0.000 0.000 0.257 275 G C 0.167 175.256 174.900 0.315 0.000 0.997 275 G CA 1.115 46.374 45.100 0.264 0.000 0.708 275 G HN 0.572 nan 8.290 nan 0.000 0.520 276 K N -0.023 120.503 120.400 0.209 0.000 2.090 276 K HA 0.542 4.862 4.320 0.000 0.000 0.250 276 K C 0.077 176.605 176.600 -0.120 0.000 1.004 276 K CA -0.179 56.095 56.287 -0.023 0.000 0.919 276 K CB 0.758 33.114 32.500 -0.241 0.000 1.045 276 K HN 0.082 nan 8.250 nan 0.000 0.471 277 T N 1.728 116.119 114.554 -0.272 0.000 2.795 277 T HA 0.327 4.677 4.350 0.000 0.000 0.282 277 T C -1.051 173.410 174.700 -0.399 0.000 0.980 277 T CA -0.443 61.524 62.100 -0.221 0.000 1.012 277 T CB 0.157 68.999 68.868 -0.044 0.000 0.936 277 T HN 0.249 nan 8.240 nan 0.000 0.457 278 Y N 2.047 122.307 120.300 -0.067 0.000 2.328 278 Y HA 0.401 4.951 4.550 0.000 0.000 0.337 278 Y C 0.600 176.571 175.900 0.118 0.000 0.966 278 Y CA -0.998 57.121 58.100 0.032 0.000 1.136 278 Y CB 1.223 39.703 38.460 0.032 0.000 1.170 278 Y HN 0.301 nan 8.280 nan 0.000 0.470 279 K N 4.333 124.841 120.400 0.179 0.000 2.276 279 K HA 0.538 4.858 4.320 0.000 0.000 0.283 279 K C -0.959 175.727 176.600 0.143 0.000 1.044 279 K CA -0.186 56.184 56.287 0.138 0.000 0.944 279 K CB 0.633 33.178 32.500 0.075 0.000 1.012 279 K HN 0.652 nan 8.250 nan 0.000 0.472 280 V N 0.408 120.394 119.914 0.120 0.000 3.078 280 V HA 0.425 4.545 4.120 0.000 0.000 0.311 280 V C 0.573 176.725 176.094 0.098 0.000 1.138 280 V CA -0.537 61.792 62.300 0.049 0.000 1.007 280 V CB 1.497 33.259 31.823 -0.101 0.000 1.045 280 V HN 0.800 nan 8.190 nan 0.000 0.432 281 T N -1.762 112.824 114.554 0.054 0.000 3.060 281 T HA 0.364 4.714 4.350 0.000 0.000 0.249 281 T C 0.651 175.428 174.700 0.128 0.000 1.079 281 T CA 0.486 62.657 62.100 0.120 0.000 1.013 281 T CB -0.018 68.883 68.868 0.056 0.000 0.975 281 T HN 0.823 nan 8.240 nan 0.000 0.518 282 S N 0.124 115.740 115.700 -0.140 0.000 2.533 282 S HA 0.542 5.012 4.470 0.000 0.000 0.271 282 S C -0.975 173.215 174.600 -0.682 0.000 1.143 282 S CA -0.854 57.096 58.200 -0.417 0.000 0.891 282 S CB 1.315 64.377 63.200 -0.229 0.000 1.105 282 S HN 0.361 nan 8.310 nan 0.000 0.468 283 L N 4.987 125.606 121.223 -1.005 0.000 2.410 283 L HA 0.313 4.653 4.340 0.000 0.000 0.273 283 L C -1.403 175.080 176.870 -0.644 0.000 1.144 283 L CA -1.082 53.199 54.840 -0.931 0.000 0.863 283 L CB 0.213 41.689 42.059 -0.970 0.000 1.140 283 L HN 0.492 nan 8.230 nan 0.000 0.463 284 P HA 0.050 nan 4.420 nan 0.000 0.307 284 P C -0.820 176.314 177.300 -0.276 0.000 1.306 284 P CA -0.553 62.306 63.100 -0.402 0.000 0.742 284 P CB 0.509 31.987 31.700 -0.371 0.000 1.349 285 D N -0.133 120.229 120.400 -0.062 0.000 2.441 285 D HA 0.062 4.702 4.640 0.000 0.000 0.243 285 D C 1.259 177.660 176.300 0.169 0.000 1.257 285 D CA 0.033 54.038 54.000 0.008 0.000 1.027 285 D CB -0.778 40.029 40.800 0.011 0.000 1.084 285 D HN 0.159 nan 8.370 nan 0.000 0.514 286 I N 1.693 122.306 120.570 0.071 0.000 2.361 286 I HA -0.291 3.880 4.170 0.000 0.000 0.251 286 I C 2.375 178.680 176.117 0.313 0.000 1.133 286 I CA 0.948 62.385 61.300 0.229 0.000 1.413 286 I CB -0.160 37.899 38.000 0.097 0.000 1.073 286 I HN 0.348 nan 8.210 nan 0.000 0.424 287 S N 0.922 116.716 115.700 0.156 0.000 2.442 287 S HA -0.157 4.313 4.470 0.000 0.000 0.236 287 S C 1.927 176.577 174.600 0.083 0.000 1.007 287 S CA 0.801 59.062 58.200 0.103 0.000 0.965 287 S CB -0.403 62.819 63.200 0.036 0.000 0.773 287 S HN 0.459 nan 8.310 nan 0.000 0.504 288 R N -0.440 120.100 120.500 0.067 0.000 2.310 288 R HA 0.336 4.676 4.340 0.000 0.000 0.202 288 R C -0.773 175.364 176.300 -0.272 0.000 0.933 288 R CA -0.007 56.014 56.100 -0.131 0.000 1.054 288 R CB 0.039 30.187 30.300 -0.253 0.000 0.985 288 R HN 0.398 nan 8.270 nan 0.000 0.489 289 F N 0.993 120.974 119.950 0.051 0.000 2.458 289 F HA 0.445 4.973 4.527 0.000 0.000 0.330 289 F C 0.426 176.257 175.800 0.052 0.000 1.082 289 F CA -1.402 56.629 58.000 0.052 0.000 0.995 289 F CB 1.238 40.296 39.000 0.097 0.000 1.170 289 F HN -0.178 nan 8.300 nan 0.000 0.478 290 I N -0.414 120.287 120.570 0.219 0.000 2.740 290 I HA 0.595 4.765 4.170 0.000 0.000 0.303 290 I C -0.049 176.186 176.117 0.196 0.000 1.044 290 I CA -1.168 60.237 61.300 0.176 0.000 1.064 290 I CB 1.838 39.902 38.000 0.107 0.000 1.249 290 I HN 0.639 nan 8.210 nan 0.000 0.433 291 N N 1.874 120.704 118.700 0.217 0.000 2.725 291 N HA -0.168 4.572 4.740 0.000 0.000 0.251 291 N C -1.223 174.505 175.510 0.364 0.000 1.031 291 N CA 1.247 54.460 53.050 0.271 0.000 0.720 291 N CB -0.860 37.720 38.487 0.155 0.000 0.930 291 N HN 0.963 nan 8.380 nan 0.000 0.543 292 T N 0.750 115.471 114.554 0.277 0.000 2.916 292 T HA 0.449 4.799 4.350 0.000 0.000 0.298 292 T C -0.346 174.018 174.700 -0.560 0.000 1.031 292 T CA -0.690 61.355 62.100 -0.092 0.000 0.993 292 T CB 2.019 70.695 68.868 -0.322 0.000 1.045 292 T HN 0.323 nan 8.240 nan 0.000 0.454 293 R N 1.886 121.921 120.500 -0.776 0.000 2.599 293 R HA 0.689 5.029 4.340 0.000 0.000 0.295 293 R C -1.508 174.436 176.300 -0.592 0.000 0.963 293 R CA -0.644 54.928 56.100 -0.881 0.000 0.883 293 R CB 0.889 30.498 30.300 -1.151 0.000 1.171 293 R HN 0.445 nan 8.270 nan 0.000 0.450 294 F N 3.012 122.940 119.950 -0.037 0.000 2.450 294 F HA 0.393 4.920 4.527 0.000 0.000 0.332 294 F C -0.106 175.768 175.800 0.124 0.000 1.093 294 F CA -0.838 57.186 58.000 0.040 0.000 1.003 294 F CB 1.960 40.925 39.000 -0.058 0.000 1.151 294 F HN 0.085 nan 8.300 nan 0.000 0.474 295 V N 2.021 122.081 119.914 0.243 0.000 2.435 295 V HA 0.511 4.631 4.120 0.000 0.000 0.290 295 V C -1.200 174.976 176.094 0.137 0.000 1.030 295 V CA -1.143 61.154 62.300 -0.004 0.000 0.881 295 V CB 1.198 32.935 31.823 -0.143 0.000 0.983 295 V HN 0.780 nan 8.190 nan 0.000 0.445 296 Y N 1.885 122.167 120.300 -0.029 0.000 2.441 296 Y HA 0.502 5.053 4.550 0.000 0.000 0.334 296 Y C -0.307 175.585 175.900 -0.013 0.000 1.061 296 Y CA -0.639 57.444 58.100 -0.028 0.000 1.032 296 Y CB 2.187 40.579 38.460 -0.113 0.000 1.266 296 Y HN 0.746 nan 8.280 nan 0.000 0.441 297 E N 6.500 126.400 120.200 -0.500 0.000 2.079 297 E HA 0.180 4.530 4.350 0.000 0.000 0.252 297 E C 0.672 176.779 176.600 -0.821 0.000 0.992 297 E CA -0.369 55.726 56.400 -0.509 0.000 0.829 297 E CB 0.928 30.473 29.700 -0.258 0.000 1.158 297 E HN 0.686 nan 8.360 nan 0.000 0.435 298 R N 2.682 122.601 120.500 -0.968 0.000 2.081 298 R HA -0.059 4.281 4.340 0.000 0.000 0.235 298 R C 0.511 176.643 176.300 -0.280 0.000 1.131 298 R CA 1.025 56.724 56.100 -0.668 0.000 0.960 298 R CB 0.326 30.472 30.300 -0.258 0.000 0.856 298 R HN 0.334 nan 8.270 nan 0.000 0.436 299 I N 2.766 123.208 120.570 -0.215 0.000 2.321 299 I HA 0.308 4.478 4.170 0.000 0.000 0.291 299 I C -2.277 173.741 176.117 -0.164 0.000 0.998 299 I CA -3.272 57.943 61.300 -0.142 0.000 1.227 299 I CB 1.027 38.969 38.000 -0.097 0.000 1.368 299 I HN -0.089 nan 8.210 nan 0.000 0.466 300 P HA 0.056 nan 4.420 nan 0.000 0.260 300 P C 0.926 178.166 177.300 -0.100 0.000 1.172 300 P CA 0.932 63.970 63.100 -0.104 0.000 0.760 300 P CB 0.409 32.070 31.700 -0.065 0.000 0.773 301 G N 2.576 111.316 108.800 -0.100 0.000 2.157 301 G HA2 -0.258 3.702 3.960 0.000 0.000 0.248 301 G HA3 -0.258 3.702 3.960 0.000 0.000 0.248 301 G C 0.067 174.853 174.900 -0.190 0.000 0.979 301 G CA -0.306 44.746 45.100 -0.080 0.000 0.650 301 G HN 0.599 nan 8.290 nan 0.000 0.529 302 Q N 0.643 120.284 119.800 -0.265 0.000 3.122 302 Q HA 0.253 4.593 4.340 0.000 0.000 0.282 302 Q C -2.729 173.124 176.000 -0.245 0.000 0.947 302 Q CA -1.637 53.917 55.803 -0.415 0.000 0.812 302 Q CB 2.407 30.880 28.738 -0.442 0.000 1.333 302 Q HN 0.366 nan 8.270 nan 0.000 0.430 303 P HA 0.103 nan 4.420 nan 0.000 0.271 303 P C -0.592 176.576 177.300 -0.220 0.000 1.220 303 P CA 0.244 63.216 63.100 -0.214 0.000 0.768 303 P CB 1.066 32.641 31.700 -0.208 0.000 0.848 304 L N 3.565 124.650 121.223 -0.231 0.000 2.301 304 L HA 0.532 4.873 4.340 0.000 0.000 0.264 304 L C -0.231 176.414 176.870 -0.375 0.000 1.016 304 L CA -1.163 53.551 54.840 -0.209 0.000 0.821 304 L CB 1.331 43.310 42.059 -0.132 0.000 1.346 304 L HN 0.297 nan 8.230 nan 0.000 0.429 305 Y N -0.369 119.828 120.300 -0.172 0.000 2.468 305 Y HA 0.559 5.109 4.550 0.000 0.000 0.342 305 Y C -1.093 174.587 175.900 -0.368 0.000 1.021 305 Y CA -0.619 57.417 58.100 -0.108 0.000 1.079 305 Y CB 1.737 40.126 38.460 -0.118 0.000 1.226 305 Y HN 0.210 nan 8.280 nan 0.000 0.460 306 Y N 0.720 121.106 120.300 0.143 0.000 2.354 306 Y HA 0.658 5.208 4.550 0.000 0.000 0.330 306 Y C -0.280 175.623 175.900 0.004 0.000 1.011 306 Y CA -1.265 56.886 58.100 0.085 0.000 1.099 306 Y CB 1.727 40.263 38.460 0.127 0.000 1.179 306 Y HN 0.693 nan 8.280 nan 0.000 0.442 307 A N 2.411 125.283 122.820 0.086 0.000 2.289 307 A HA 0.592 4.912 4.320 0.000 0.000 0.298 307 A C 0.339 177.992 177.584 0.114 0.000 1.208 307 A CA -0.472 51.573 52.037 0.013 0.000 0.845 307 A CB 0.225 19.306 19.000 0.136 0.000 1.125 307 A HN 0.769 nan 8.150 nan 0.000 0.517 308 S N 2.517 118.268 115.700 0.085 0.000 2.617 308 S HA 0.245 4.716 4.470 0.000 0.000 0.259 308 S C 0.128 174.847 174.600 0.199 0.000 1.301 308 S CA -0.504 57.800 58.200 0.173 0.000 0.984 308 S CB 0.258 63.569 63.200 0.185 0.000 0.954 308 S HN 0.673 nan 8.310 nan 0.000 0.572 309 E N 0.960 121.267 120.200 0.180 0.000 2.442 309 E HA 0.060 4.410 4.350 0.000 0.000 0.262 309 E C 0.623 177.325 176.600 0.171 0.000 1.004 309 E CA 0.613 57.107 56.400 0.157 0.000 0.928 309 E CB 0.132 29.901 29.700 0.116 0.000 0.937 309 E HN 0.825 nan 8.360 nan 0.000 0.446 310 E N 0.126 120.419 120.200 0.156 0.000 3.916 310 E HA -0.311 4.039 4.350 0.000 0.000 0.331 310 E C 0.773 177.460 176.600 0.144 0.000 0.729 310 E CA 0.769 57.244 56.400 0.126 0.000 1.222 310 E CB -1.482 28.273 29.700 0.092 0.000 1.633 310 E HN 0.542 nan 8.360 nan 0.000 0.437 311 F N 1.491 121.484 119.950 0.072 0.000 2.113 311 F HA -0.073 4.454 4.527 0.000 0.000 0.297 311 F C 1.263 177.105 175.800 0.070 0.000 1.103 311 F CA 1.477 59.514 58.000 0.061 0.000 1.248 311 F CB 0.404 39.437 39.000 0.054 0.000 0.999 311 F HN -0.039 nan 8.300 nan 0.000 0.475 312 V N -0.538 119.489 119.914 0.188 0.000 2.630 312 V HA 0.386 4.506 4.120 0.000 0.000 0.305 312 V C -0.431 175.713 176.094 0.083 0.000 1.046 312 V CA -0.963 61.388 62.300 0.085 0.000 0.934 312 V CB 1.422 33.356 31.823 0.185 0.000 1.003 312 V HN 0.116 nan 8.190 nan 0.000 0.451 313 Q N 2.591 122.407 119.800 0.027 0.000 2.431 313 Q HA 0.574 4.914 4.340 0.000 0.000 0.234 313 Q C 0.272 176.310 176.000 0.063 0.000 1.203 313 Q CA 0.382 56.208 55.803 0.038 0.000 0.902 313 Q CB 0.854 29.595 28.738 0.004 0.000 1.455 313 Q HN 1.118 nan 8.270 nan 0.000 0.515 314 G N 1.801 110.637 108.800 0.059 0.000 2.677 314 G HA2 0.507 4.467 3.960 0.000 0.000 0.291 314 G HA3 0.507 4.467 3.960 0.000 0.000 0.291 314 G C -1.783 172.957 174.900 -0.266 0.000 1.435 314 G CA -0.469 44.570 45.100 -0.103 0.000 0.826 314 G HN 0.401 nan 8.290 nan 0.000 0.491 315 E N -0.287 119.533 120.200 -0.633 0.000 2.335 315 E HA 0.488 4.839 4.350 0.000 0.000 0.280 315 E C -1.716 174.562 176.600 -0.537 0.000 0.918 315 E CA -0.774 55.350 56.400 -0.460 0.000 0.765 315 E CB 2.495 31.982 29.700 -0.354 0.000 1.218 315 E HN 0.436 nan 8.360 nan 0.000 0.425 316 L N 4.485 125.550 121.223 -0.263 0.000 2.326 316 L HA 0.555 4.895 4.340 0.000 0.000 0.278 316 L C -1.583 175.161 176.870 -0.210 0.000 1.092 316 L CA 0.228 55.075 54.840 0.011 0.000 0.810 316 L CB 0.422 42.607 42.059 0.210 0.000 1.153 316 L HN 0.505 nan 8.230 nan 0.000 0.439 317 F N 3.487 123.481 119.950 0.074 0.000 2.532 317 F HA 0.483 5.010 4.527 0.000 0.000 0.321 317 F C 0.040 175.804 175.800 -0.060 0.000 1.089 317 F CA -0.769 57.236 58.000 0.009 0.000 0.926 317 F CB 1.602 40.611 39.000 0.016 0.000 1.168 317 F HN 0.334 nan 8.300 nan 0.000 0.459 318 K N 3.664 124.064 120.400 0.001 0.000 2.227 318 K HA 0.433 4.753 4.320 0.000 0.000 0.280 318 K C 0.462 176.801 176.600 -0.435 0.000 1.041 318 K CA -0.243 55.789 56.287 -0.425 0.000 0.905 318 K CB 0.669 32.925 32.500 -0.405 0.000 1.068 318 K HN 0.828 nan 8.250 nan 0.000 0.470 319 I N 0.149 120.304 120.570 -0.691 0.000 4.288 319 I HA 0.165 4.336 4.170 0.000 0.000 0.331 319 I C -0.004 175.782 176.117 -0.551 0.000 1.322 319 I CA -0.348 60.484 61.300 -0.779 0.000 1.149 319 I CB 0.880 37.936 38.000 -1.573 0.000 1.112 319 I HN 0.462 nan 8.210 nan 0.000 0.403 320 T N -1.832 112.394 114.554 -0.546 0.000 2.916 320 T HA 0.569 4.919 4.350 0.000 0.000 0.292 320 T C -0.978 173.535 174.700 -0.311 0.000 1.055 320 T CA -0.452 61.429 62.100 -0.366 0.000 1.009 320 T CB 2.598 71.222 68.868 -0.407 0.000 1.118 320 T HN 0.116 nan 8.240 nan 0.000 0.497 321 D N 0.695 120.995 120.400 -0.167 0.000 2.668 321 D HA 0.341 4.981 4.640 0.000 0.000 0.247 321 D C -1.171 175.112 176.300 -0.028 0.000 1.268 321 D CA -0.045 53.886 54.000 -0.115 0.000 0.842 321 D CB 0.834 41.574 40.800 -0.100 0.000 1.399 321 D HN 0.636 nan 8.370 nan 0.000 0.530 322 T N 1.610 116.165 114.554 0.003 0.000 2.900 322 T HA 0.442 4.792 4.350 0.000 0.000 0.295 322 T C -1.986 172.754 174.700 0.067 0.000 1.044 322 T CA -1.469 60.690 62.100 0.097 0.000 0.995 322 T CB 2.349 71.344 68.868 0.212 0.000 1.072 322 T HN -0.069 nan 8.240 nan 0.000 0.473 323 P HA 0.068 nan 4.420 nan 0.000 0.229 323 P C -0.140 177.083 177.300 -0.128 0.000 1.160 323 P CA 0.489 63.511 63.100 -0.129 0.000 0.777 323 P CB -0.049 31.490 31.700 -0.267 0.000 0.814 324 Y N -1.521 118.823 120.300 0.074 0.000 2.426 324 Y HA 0.008 4.558 4.550 0.000 0.000 0.344 324 Y C 0.973 177.007 175.900 0.223 0.000 1.256 324 Y CA -0.441 57.770 58.100 0.185 0.000 1.451 324 Y CB -0.057 38.562 38.460 0.266 0.000 1.342 324 Y HN -0.111 nan 8.280 nan 0.000 0.600 325 Y N 3.293 123.776 120.300 0.306 0.000 2.680 325 Y HA 0.094 4.644 4.550 0.001 0.000 0.356 325 Y C -0.639 175.366 175.900 0.174 0.000 1.122 325 Y CA -0.694 57.488 58.100 0.138 0.000 1.509 325 Y CB -0.822 37.626 38.460 -0.020 0.000 1.245 325 Y HN 0.451 nan 8.280 nan 0.000 0.513 326 N N 4.704 123.492 118.700 0.147 0.000 2.457 326 N HA 0.697 5.437 4.740 0.000 0.000 0.250 326 N C -0.890 174.556 175.510 -0.106 0.000 0.982 326 N CA -0.319 52.813 53.050 0.136 0.000 0.941 326 N CB 1.090 39.530 38.487 -0.079 0.000 1.120 326 N HN 0.610 nan 8.380 nan 0.000 0.505 327 A N 1.482 124.286 122.820 -0.027 0.000 2.493 327 A HA 0.542 4.862 4.320 0.000 0.000 0.300 327 A C -1.397 176.175 177.584 -0.019 0.000 1.152 327 A CA -0.767 51.006 52.037 -0.439 0.000 0.643 327 A CB 0.710 18.921 19.000 -1.316 0.000 1.316 327 A HN 0.701 nan 8.150 nan 0.000 0.469 328 W N -2.400 118.989 121.300 0.149 0.000 5.822 328 W HA -0.109 4.551 4.660 0.000 0.000 0.422 328 W C -2.311 174.309 176.519 0.168 0.000 1.673 328 W CA 0.198 57.630 57.345 0.144 0.000 0.989 328 W CB -2.199 27.312 29.460 0.085 0.000 2.899 328 W HN 0.548 nan 8.180 nan 0.000 1.375 329 P HA -0.181 nan 4.420 nan 0.000 0.222 329 P C 1.098 178.555 177.300 0.261 0.000 1.147 329 P CA 1.817 65.072 63.100 0.259 0.000 0.790 329 P CB 0.169 31.964 31.700 0.159 0.000 0.780 330 Q N 0.851 120.837 119.800 0.310 0.000 2.283 330 Q HA 0.003 4.343 4.340 0.000 0.000 0.301 330 Q C -0.394 175.702 176.000 0.159 0.000 1.063 330 Q CA 0.236 56.223 55.803 0.307 0.000 0.952 330 Q CB -0.169 28.888 28.738 0.533 0.000 1.166 330 Q HN -0.057 nan 8.270 nan 0.000 0.381 331 D N 2.415 122.764 120.400 -0.086 0.000 2.432 331 D HA 0.215 4.855 4.640 0.000 0.000 0.265 331 D C -0.518 175.826 176.300 0.073 0.000 1.160 331 D CA -0.526 53.462 54.000 -0.019 0.000 0.911 331 D CB 0.560 41.244 40.800 -0.194 0.000 1.052 331 D HN 0.639 nan 8.370 nan 0.000 0.508 332 K N 0.867 121.358 120.400 0.152 0.000 2.440 332 K HA 0.365 4.685 4.320 0.000 0.000 0.207 332 K C 0.595 177.369 176.600 0.290 0.000 1.112 332 K CA -0.409 55.992 56.287 0.190 0.000 1.036 332 K CB 1.233 33.848 32.500 0.193 0.000 0.935 332 K HN 0.300 nan 8.250 nan 0.000 0.564 333 A N 1.830 124.795 122.820 0.241 0.000 2.445 333 A HA 0.454 4.774 4.320 0.000 0.000 0.242 333 A C -0.164 177.583 177.584 0.272 0.000 1.075 333 A CA 0.145 52.294 52.037 0.187 0.000 0.777 333 A CB -0.284 18.799 19.000 0.138 0.000 1.013 333 A HN 0.287 nan 8.150 nan 0.000 0.493 334 F N -0.346 119.658 119.950 0.090 0.000 2.713 334 F HA 0.625 5.152 4.527 0.000 0.000 0.311 334 F C -0.828 175.034 175.800 0.104 0.000 1.141 334 F CA -1.224 56.813 58.000 0.062 0.000 0.939 334 F CB 1.170 40.149 39.000 -0.036 0.000 1.325 334 F HN 0.689 nan 8.300 nan 0.000 0.453 335 V N 1.557 121.619 119.914 0.246 0.000 2.628 335 V HA 0.782 4.902 4.120 0.000 0.000 0.306 335 V C -2.297 174.023 176.094 0.376 0.000 1.045 335 V CA -0.676 61.738 62.300 0.190 0.000 0.905 335 V CB 1.654 33.504 31.823 0.044 0.000 0.997 335 V HN 1.066 nan 8.190 nan 0.000 0.436 336 Y N 4.000 124.423 120.300 0.206 0.000 2.362 336 Y HA 0.455 5.006 4.550 0.000 0.000 0.326 336 Y C 0.186 176.153 175.900 0.112 0.000 1.083 336 Y CA -0.567 57.632 58.100 0.165 0.000 1.073 336 Y CB 1.594 40.145 38.460 0.151 0.000 1.211 336 Y HN 0.943 nan 8.280 nan 0.000 0.433 337 E N 4.831 124.737 120.200 -0.490 0.000 2.183 337 E HA -0.379 3.971 4.350 0.000 0.000 0.196 337 E C -0.041 176.482 176.600 -0.129 0.000 1.364 337 E CA 1.518 57.719 56.400 -0.332 0.000 0.700 337 E CB -1.291 28.178 29.700 -0.385 0.000 1.106 337 E HN 0.962 nan 8.360 nan 0.000 0.347 338 N N -2.829 115.813 118.700 -0.097 0.000 2.936 338 N HA -0.201 4.540 4.740 0.000 0.000 0.236 338 N C -0.515 174.905 175.510 -0.151 0.000 0.930 338 N CA 1.184 54.175 53.050 -0.099 0.000 0.966 338 N CB -0.472 37.960 38.487 -0.091 0.000 1.090 338 N HN 0.204 nan 8.380 nan 0.000 0.592 339 V N 1.595 121.430 119.914 -0.130 0.000 2.398 339 V HA 0.430 4.550 4.120 0.000 0.000 0.286 339 V C 0.514 176.403 176.094 -0.341 0.000 1.026 339 V CA -0.592 61.526 62.300 -0.303 0.000 0.868 339 V CB 1.529 33.145 31.823 -0.345 0.000 0.982 339 V HN 0.095 nan 8.190 nan 0.000 0.443 340 I N 5.343 125.585 120.570 -0.546 0.000 2.352 340 I HA 0.298 4.468 4.170 0.000 0.000 0.290 340 I C -0.843 174.887 176.117 -0.646 0.000 1.036 340 I CA -0.182 60.810 61.300 -0.513 0.000 1.336 340 I CB 0.491 38.110 38.000 -0.635 0.000 1.407 340 I HN 0.494 nan 8.210 nan 0.000 0.497 341 Y N 4.740 124.648 120.300 -0.654 0.000 2.331 341 Y HA 0.560 5.111 4.550 0.000 0.000 0.338 341 Y C 0.382 176.044 175.900 -0.396 0.000 0.992 341 Y CA -0.794 56.831 58.100 -0.792 0.000 1.121 341 Y CB 1.822 39.272 38.460 -1.684 0.000 1.184 341 Y HN 0.576 nan 8.280 nan 0.000 0.469 342 A N 6.165 129.005 122.820 0.034 0.000 2.802 342 A HA 0.565 4.885 4.320 0.000 0.000 0.344 342 A C -2.938 174.858 177.584 0.354 0.000 1.215 342 A CA -1.737 50.395 52.037 0.158 0.000 0.821 342 A CB -0.155 18.881 19.000 0.061 0.000 1.099 342 A HN 0.380 nan 8.150 nan 0.000 0.479 343 P HA 0.529 nan 4.420 nan 0.000 0.274 343 P C -0.767 176.783 177.300 0.417 0.000 1.231 343 P CA 0.113 63.489 63.100 0.461 0.000 0.790 343 P CB 0.415 32.377 31.700 0.437 0.000 0.951 344 Y N -1.754 118.666 120.300 0.199 0.000 2.871 344 Y HA 0.687 5.237 4.550 0.000 0.000 0.331 344 Y C -1.470 174.536 175.900 0.177 0.000 1.378 344 Y CA -1.434 56.776 58.100 0.182 0.000 1.079 344 Y CB 0.826 39.373 38.460 0.145 0.000 1.441 344 Y HN 0.071 nan 8.280 nan 0.000 0.446 345 M N 1.672 121.491 119.600 0.365 0.000 2.311 345 M HA 0.577 5.057 4.480 0.000 0.000 0.325 345 M C -0.377 176.192 176.300 0.449 0.000 1.061 345 M CA -0.778 54.646 55.300 0.207 0.000 0.957 345 M CB 2.258 34.937 32.600 0.132 0.000 1.646 345 M HN 0.939 nan 8.290 nan 0.000 0.434 346 G N 1.704 110.616 108.800 0.186 0.000 2.468 346 G HA2 0.593 4.553 3.960 0.000 0.000 0.320 346 G HA3 0.593 4.553 3.960 0.000 0.000 0.320 346 G C -0.364 174.595 174.900 0.099 0.000 1.137 346 G CA -0.287 44.985 45.100 0.286 0.000 0.984 346 G HN 0.780 nan 8.290 nan 0.000 0.462 347 S N 0.718 116.603 115.700 0.308 0.000 3.081 347 S HA 0.628 5.098 4.470 0.000 0.000 0.316 347 S C 0.230 175.013 174.600 0.305 0.000 1.089 347 S CA 0.071 58.397 58.200 0.209 0.000 0.897 347 S CB 1.882 65.146 63.200 0.107 0.000 1.358 347 S HN 0.410 nan 8.310 nan 0.000 0.678 348 D N -0.529 119.945 120.400 0.123 0.000 2.469 348 D HA 0.252 4.892 4.640 0.000 0.000 0.213 348 D C 0.527 176.661 176.300 -0.276 0.000 1.135 348 D CA -0.235 53.718 54.000 -0.078 0.000 0.834 348 D CB 0.083 40.944 40.800 0.101 0.000 1.009 348 D HN 0.792 nan 8.370 nan 0.000 0.507 349 R N -1.673 118.701 120.500 -0.210 0.000 2.789 349 R HA 0.239 4.579 4.340 0.000 0.000 0.279 349 R C -1.530 174.641 176.300 -0.215 0.000 1.010 349 R CA -0.755 55.177 56.100 -0.281 0.000 0.855 349 R CB -0.197 30.044 30.300 -0.098 0.000 1.312 349 R HN -0.184 nan 8.270 nan 0.000 0.479 350 H N -0.196 118.714 119.070 -0.267 0.000 3.330 350 H HA 0.529 5.085 4.556 0.000 0.000 0.260 350 H C 0.289 175.517 175.328 -0.168 0.000 1.439 350 H CA 1.634 57.624 56.048 -0.097 0.000 1.540 350 H CB 0.410 30.190 29.762 0.029 0.000 1.698 350 H HN 0.875 nan 8.280 nan 0.000 0.516 351 G N -0.076 108.597 108.800 -0.211 0.000 2.337 351 G HA2 0.090 4.051 3.960 0.000 0.000 0.298 351 G HA3 0.090 4.051 3.960 0.000 0.000 0.298 351 G C 0.112 174.905 174.900 -0.179 0.000 1.335 351 G CA -0.244 44.750 45.100 -0.176 0.000 0.875 351 G HN 0.514 nan 8.290 nan 0.000 0.579 352 V N -1.976 117.856 119.914 -0.137 0.000 3.647 352 V HA 0.502 4.623 4.120 0.000 0.000 0.279 352 V C 1.292 177.371 176.094 -0.024 0.000 1.314 352 V CA 0.986 63.226 62.300 -0.099 0.000 1.125 352 V CB 0.050 31.810 31.823 -0.105 0.000 0.907 352 V HN 1.401 nan 8.190 nan 0.000 0.434 353 S N 1.602 117.294 115.700 -0.013 0.000 2.546 353 S HA 0.230 4.700 4.470 0.000 0.000 0.290 353 S C 1.140 175.811 174.600 0.119 0.000 1.290 353 S CA 0.416 58.667 58.200 0.085 0.000 1.069 353 S CB -0.345 62.878 63.200 0.039 0.000 0.846 353 S HN 0.735 nan 8.310 nan 0.000 0.495 354 R N -0.255 120.367 120.500 0.203 0.000 3.946 354 R HA -0.187 4.153 4.340 0.000 0.000 0.329 354 R C -0.263 175.926 176.300 -0.185 0.000 1.209 354 R CA 0.686 56.811 56.100 0.041 0.000 0.909 354 R CB -1.938 28.499 30.300 0.229 0.000 1.355 354 R HN 0.522 nan 8.270 nan 0.000 0.539 355 L N 2.038 123.122 121.223 -0.232 0.000 2.331 355 L HA 0.281 4.621 4.340 0.000 0.000 0.278 355 L C 0.014 176.519 176.870 -0.609 0.000 1.106 355 L CA 0.089 54.749 54.840 -0.299 0.000 0.824 355 L CB 0.531 42.493 42.059 -0.160 0.000 1.142 355 L HN 0.061 nan 8.230 nan 0.000 0.443 356 H N 4.398 123.200 119.070 -0.447 0.000 2.529 356 H HA 0.367 4.924 4.556 0.001 0.000 0.348 356 H C -0.686 174.439 175.328 -0.339 0.000 1.079 356 H CA -0.860 54.886 56.048 -0.503 0.000 1.198 356 H CB 2.112 31.260 29.762 -1.024 0.000 1.521 356 H HN 0.423 nan 8.280 nan 0.000 0.514 357 V N 3.248 123.063 119.914 -0.164 0.000 2.521 357 V HA 0.093 4.213 4.120 0.000 0.000 0.286 357 V C 0.454 176.437 176.094 -0.186 0.000 1.034 357 V CA 0.394 62.577 62.300 -0.195 0.000 1.045 357 V CB 0.767 32.456 31.823 -0.224 0.000 0.974 357 V HN 0.747 nan 8.190 nan 0.000 0.480 358 S N 3.374 118.880 115.700 -0.322 0.000 2.661 358 S HA 0.855 5.325 4.470 0.000 0.000 0.285 358 S C -1.300 173.149 174.600 -0.251 0.000 1.138 358 S CA -0.655 57.334 58.200 -0.351 0.000 0.855 358 S CB 2.204 65.023 63.200 -0.634 0.000 1.136 358 S HN 0.869 nan 8.310 nan 0.000 0.484 359 W N 0.400 121.679 121.300 -0.035 0.000 3.118 359 W HA 0.762 5.422 4.660 0.000 0.000 0.328 359 W C -1.587 175.094 176.519 0.269 0.000 1.239 359 W CA -1.452 55.994 57.345 0.169 0.000 1.176 359 W CB -0.439 29.133 29.460 0.186 0.000 1.433 359 W HN 0.594 nan 8.180 nan 0.000 0.562 360 V N -0.115 120.155 119.914 0.593 0.000 2.919 360 V HA 0.833 4.954 4.120 0.000 0.000 0.316 360 V C -0.500 175.694 176.094 0.166 0.000 1.077 360 V CA -1.622 60.892 62.300 0.357 0.000 0.977 360 V CB 1.706 33.701 31.823 0.287 0.000 1.039 360 V HN 0.630 nan 8.190 nan 0.000 0.441 361 K N 0.989 121.389 120.400 -0.000 0.000 2.477 361 K HA 0.709 5.029 4.320 0.000 0.000 0.255 361 K C -1.079 175.181 176.600 -0.567 0.000 0.952 361 K CA -0.535 55.484 56.287 -0.448 0.000 0.826 361 K CB 2.224 34.237 32.500 -0.811 0.000 1.331 361 K HN 0.787 nan 8.250 nan 0.000 0.437 362 S N -0.034 115.030 115.700 -1.059 0.000 2.473 362 S HA 0.495 4.965 4.470 0.000 0.000 0.307 362 S C 0.275 174.399 174.600 -0.794 0.000 1.094 362 S CA -0.538 56.912 58.200 -1.250 0.000 1.070 362 S CB 1.091 62.983 63.200 -2.180 0.000 1.019 362 S HN 0.790 nan 8.310 nan 0.000 0.480 363 G N 2.115 110.579 108.800 -0.560 0.000 3.393 363 G HA2 0.211 4.171 3.960 0.000 0.000 0.255 363 G HA3 0.211 4.171 3.960 0.000 0.000 0.255 363 G C -0.158 174.567 174.900 -0.292 0.000 1.097 363 G CA -0.239 44.635 45.100 -0.376 0.000 0.780 363 G HN 0.784 nan 8.290 nan 0.000 0.540 364 D N -0.792 119.400 120.400 -0.346 0.000 2.908 364 D HA 0.161 4.801 4.640 0.000 0.000 0.361 364 D C -0.211 175.918 176.300 -0.286 0.000 1.416 364 D CA -0.824 53.047 54.000 -0.214 0.000 0.796 364 D CB -0.269 40.504 40.800 -0.045 0.000 1.185 364 D HN -0.052 nan 8.370 nan 0.000 0.451 365 D N 0.338 120.525 120.400 -0.355 0.000 2.772 365 D HA -0.119 4.521 4.640 0.000 0.000 0.233 365 D C 1.349 177.436 176.300 -0.355 0.000 1.143 365 D CA 1.658 55.470 54.000 -0.312 0.000 0.700 365 D CB -1.458 39.235 40.800 -0.178 0.000 1.076 365 D HN 0.797 nan 8.370 nan 0.000 0.430 366 G N -0.673 107.755 108.800 -0.620 0.000 2.175 366 G HA2 -0.401 3.559 3.960 0.000 0.000 0.244 366 G HA3 -0.401 3.559 3.960 0.000 0.000 0.244 366 G C 0.929 175.375 174.900 -0.755 0.000 0.982 366 G CA 0.618 45.349 45.100 -0.615 0.000 0.641 366 G HN 0.477 nan 8.290 nan 0.000 0.527 367 Q N -0.596 118.825 119.800 -0.631 0.000 2.172 367 Q HA 0.105 4.445 4.340 0.000 0.000 0.200 367 Q C 0.746 176.628 176.000 -0.197 0.000 0.964 367 Q CA 1.506 57.022 55.803 -0.478 0.000 0.855 367 Q CB 0.248 28.685 28.738 -0.502 0.000 0.918 367 Q HN 0.423 nan 8.270 nan 0.000 0.444 368 T N -0.565 113.825 114.554 -0.273 0.000 2.956 368 T HA 0.424 4.774 4.350 0.000 0.000 0.312 368 T C -2.020 172.451 174.700 -0.380 0.000 1.151 368 T CA -0.593 61.448 62.100 -0.099 0.000 1.024 368 T CB 0.936 69.856 68.868 0.086 0.000 1.140 368 T HN 0.096 nan 8.240 nan 0.000 0.473 369 W N 1.755 122.956 121.300 -0.165 0.000 2.864 369 W HA 0.619 5.280 4.660 0.001 0.000 0.343 369 W C 0.514 176.953 176.519 -0.133 0.000 1.109 369 W CA -0.730 56.511 57.345 -0.174 0.000 1.192 369 W CB 1.168 30.516 29.460 -0.187 0.000 1.426 369 W HN 0.700 nan 8.180 nan 0.000 0.529 370 S N -0.310 115.439 115.700 0.081 0.000 2.624 370 S HA 0.438 4.909 4.470 0.000 0.000 0.263 370 S C 0.075 174.719 174.600 0.074 0.000 1.287 370 S CA -0.650 57.568 58.200 0.030 0.000 0.990 370 S CB 0.570 63.759 63.200 -0.018 0.000 0.950 370 S HN 0.355 nan 8.310 nan 0.000 0.561 371 T N 3.675 118.254 114.554 0.042 0.000 2.902 371 T HA 0.239 4.589 4.350 0.000 0.000 0.301 371 T C -2.300 172.447 174.700 0.078 0.000 1.012 371 T CA -0.284 61.838 62.100 0.036 0.000 1.151 371 T CB -0.302 68.559 68.868 -0.010 0.000 0.946 371 T HN 0.508 nan 8.240 nan 0.000 0.542 372 P HA 0.091 nan 4.420 nan 0.000 0.264 372 P C -0.264 177.053 177.300 0.027 0.000 1.183 372 P CA 0.090 63.291 63.100 0.168 0.000 0.763 372 P CB 0.458 32.292 31.700 0.222 0.000 0.807 373 E N 2.642 122.911 120.200 0.114 0.000 2.199 373 E HA 0.231 4.581 4.350 0.000 0.000 0.269 373 E C -1.026 175.573 176.600 -0.001 0.000 0.899 373 E CA -0.770 55.632 56.400 0.003 0.000 0.772 373 E CB 0.690 30.488 29.700 0.164 0.000 1.155 373 E HN 0.281 nan 8.360 nan 0.000 0.408 374 W N 5.596 126.827 121.300 -0.115 0.000 2.322 374 W HA 0.224 4.885 4.660 0.001 0.000 0.307 374 W C 0.643 177.097 176.519 -0.109 0.000 1.220 374 W CA -0.629 56.620 57.345 -0.159 0.000 1.210 374 W CB 0.518 29.839 29.460 -0.232 0.000 1.223 374 W HN 0.684 nan 8.180 nan 0.000 0.511 375 L N 2.142 123.404 121.223 0.066 0.000 2.354 375 L HA 0.053 4.393 4.340 0.000 0.000 0.212 375 L C 1.224 178.193 176.870 0.164 0.000 1.091 375 L CA 0.768 55.648 54.840 0.068 0.000 0.828 375 L CB -0.471 41.517 42.059 -0.119 0.000 0.973 375 L HN 0.295 nan 8.230 nan 0.000 0.461 376 T N -3.753 110.848 114.554 0.078 0.000 2.887 376 T HA 0.417 4.767 4.350 0.000 0.000 0.288 376 T C -0.516 174.298 174.700 0.189 0.000 1.021 376 T CA -0.960 61.167 62.100 0.044 0.000 1.000 376 T CB 2.425 71.172 68.868 -0.200 0.000 1.034 376 T HN -0.161 nan 8.240 nan 0.000 0.467 377 D N 1.052 121.580 120.400 0.214 0.000 2.387 377 D HA 0.316 4.956 4.640 0.000 0.000 0.251 377 D C 0.545 176.900 176.300 0.091 0.000 1.141 377 D CA -0.504 53.616 54.000 0.200 0.000 0.987 377 D CB 0.975 41.884 40.800 0.181 0.000 1.116 377 D HN 0.504 nan 8.370 nan 0.000 0.491 378 L N 1.278 122.426 121.223 -0.125 0.000 2.525 378 L HA -0.040 4.301 4.340 0.000 0.000 0.278 378 L C 1.282 178.135 176.870 -0.028 0.000 1.218 378 L CA 0.173 54.856 54.840 -0.262 0.000 0.878 378 L CB 0.045 41.778 42.059 -0.544 0.000 1.127 378 L HN 0.338 nan 8.230 nan 0.000 0.492 379 H N 5.486 124.417 119.070 -0.230 0.000 2.972 379 H HA -0.012 4.545 4.556 0.001 0.000 0.343 379 H C -1.719 173.567 175.328 -0.071 0.000 1.054 379 H CA -1.066 54.779 56.048 -0.338 0.000 1.412 379 H CB 1.331 30.689 29.762 -0.673 0.000 1.385 379 H HN 0.373 nan 8.280 nan 0.000 0.600 380 P HA -0.148 nan 4.420 nan 0.000 0.217 380 P C 0.363 177.760 177.300 0.162 0.000 1.148 380 P CA 1.518 64.611 63.100 -0.010 0.000 0.834 380 P CB 0.288 31.917 31.700 -0.119 0.000 0.783 381 D N -3.027 117.625 120.400 0.421 0.000 2.358 381 D HA 0.023 4.663 4.640 0.000 0.000 0.224 381 D C 0.226 176.585 176.300 0.097 0.000 1.123 381 D CA -0.283 53.846 54.000 0.215 0.000 0.833 381 D CB -0.707 40.178 40.800 0.142 0.000 0.946 381 D HN 0.216 nan 8.370 nan 0.000 0.505 382 Y N 2.809 123.118 120.300 0.015 0.000 2.712 382 Y HA 0.058 4.608 4.550 0.001 0.000 0.333 382 Y C -1.222 174.659 175.900 -0.032 0.000 1.225 382 Y CA -0.878 57.188 58.100 -0.055 0.000 1.499 382 Y CB 0.907 39.334 38.460 -0.056 0.000 1.288 382 Y HN -0.054 nan 8.280 nan 0.000 0.575 383 P HA 0.138 nan 4.420 nan 0.000 0.254 383 P C 0.341 177.323 177.300 -0.530 0.000 1.620 383 P CA 0.191 62.741 63.100 -0.916 0.000 1.050 383 P CB 0.391 31.662 31.700 -0.715 0.000 1.539 384 T N -0.688 113.675 114.554 -0.319 0.000 2.809 384 T HA 0.051 4.401 4.350 0.000 0.000 0.260 384 T C 1.105 175.632 174.700 -0.290 0.000 1.039 384 T CA 1.084 63.035 62.100 -0.249 0.000 1.141 384 T CB -0.124 68.643 68.868 -0.167 0.000 0.869 384 T HN 0.140 nan 8.240 nan 0.000 0.437 385 V N -1.129 118.580 119.914 -0.342 0.000 3.130 385 V HA 0.733 4.854 4.120 0.000 0.000 0.310 385 V C -1.122 174.743 176.094 -0.382 0.000 1.158 385 V CA -1.257 60.801 62.300 -0.402 0.000 1.029 385 V CB 2.243 33.737 31.823 -0.547 0.000 1.057 385 V HN 0.329 nan 8.190 nan 0.000 0.436 386 N N -0.789 117.702 118.700 -0.347 0.000 2.927 386 N HA 0.509 5.250 4.740 0.000 0.000 0.248 386 N C -1.750 173.594 175.510 -0.275 0.000 1.443 386 N CA -0.657 52.240 53.050 -0.255 0.000 0.870 386 N CB 2.124 40.616 38.487 0.008 0.000 1.444 386 N HN 0.707 nan 8.380 nan 0.000 0.519 387 Y N 0.656 120.919 120.300 -0.061 0.000 2.281 387 Y HA 0.316 4.866 4.550 0.000 0.000 0.337 387 Y C 0.603 176.443 175.900 -0.099 0.000 1.304 387 Y CA 0.266 58.290 58.100 -0.126 0.000 1.465 387 Y CB 0.353 38.675 38.460 -0.230 0.000 1.350 387 Y HN 0.339 nan 8.280 nan 0.000 0.575 388 H N -0.342 118.690 119.070 -0.063 0.000 3.094 388 H HA 0.392 4.949 4.556 0.001 0.000 0.346 388 H C -1.920 173.311 175.328 -0.161 0.000 1.238 388 H CA -0.847 55.115 56.048 -0.143 0.000 1.209 388 H CB 1.814 31.483 29.762 -0.154 0.000 1.911 388 H HN 0.816 nan 8.280 nan 0.000 0.540 389 C N 6.134 125.155 119.300 -0.465 0.000 2.752 389 C HA 0.459 4.919 4.460 0.000 0.000 0.360 389 C C -0.008 174.829 174.990 -0.254 0.000 1.081 389 C CA -0.370 58.480 59.018 -0.280 0.000 1.272 389 C CB 0.383 27.969 27.740 -0.256 0.000 1.754 389 C HN 0.956 nan 8.230 nan 0.000 0.483 390 M N 3.352 122.907 119.600 -0.074 0.000 2.340 390 M HA 0.242 4.722 4.480 0.000 0.000 0.345 390 M C 0.204 176.537 176.300 0.053 0.000 1.008 390 M CA 0.295 55.617 55.300 0.036 0.000 0.987 390 M CB 0.754 33.473 32.600 0.198 0.000 1.598 390 M HN 0.628 nan 8.290 nan 0.000 0.569 391 S N 1.566 117.305 115.700 0.064 0.000 2.733 391 S HA 0.769 5.239 4.470 0.000 0.000 0.294 391 S C -1.082 173.558 174.600 0.067 0.000 1.149 391 S CA -0.507 57.767 58.200 0.123 0.000 1.034 391 S CB 1.176 64.507 63.200 0.219 0.000 1.015 391 S HN 0.391 nan 8.310 nan 0.000 0.486 392 M N 4.674 124.271 119.600 -0.005 0.000 2.465 392 M HA 0.717 5.197 4.480 0.000 0.000 0.284 392 M C -0.787 175.084 176.300 -0.715 0.000 1.212 392 M CA -0.093 55.058 55.300 -0.249 0.000 0.910 392 M CB 1.826 34.398 32.600 -0.046 0.000 1.725 392 M HN 0.866 nan 8.290 nan 0.000 0.477 393 G N 1.351 109.314 108.800 -1.394 0.000 2.340 393 G HA2 0.536 4.496 3.960 0.000 0.000 0.299 393 G HA3 0.536 4.496 3.960 0.000 0.000 0.299 393 G C -2.381 171.681 174.900 -1.398 0.000 1.291 393 G CA -0.593 43.479 45.100 -1.713 0.000 0.841 393 G HN 0.664 nan 8.290 nan 0.000 0.500 394 V N -0.531 118.866 119.914 -0.862 0.000 2.555 394 V HA 0.671 4.791 4.120 0.000 0.000 0.302 394 V C -0.529 175.610 176.094 0.075 0.000 1.038 394 V CA -0.619 61.441 62.300 -0.401 0.000 0.887 394 V CB 1.365 32.916 31.823 -0.454 0.000 0.991 394 V HN 1.095 nan 8.190 nan 0.000 0.434 395 C N 5.845 125.318 119.300 0.288 0.000 2.516 395 C HA 0.656 5.117 4.460 0.000 0.000 0.338 395 C C 0.601 175.920 174.990 0.547 0.000 1.132 395 C CA -0.772 58.518 59.018 0.454 0.000 1.310 395 C CB 0.452 28.521 27.740 0.548 0.000 1.898 395 C HN 1.025 nan 8.230 nan 0.000 0.452 396 R N 4.137 124.856 120.500 0.365 0.000 3.225 396 R HA -0.224 4.116 4.340 0.000 0.000 0.245 396 R C 0.535 176.979 176.300 0.240 0.000 0.928 396 R CA 1.443 57.681 56.100 0.230 0.000 0.632 396 R CB -1.816 28.481 30.300 -0.004 0.000 1.038 396 R HN 1.084 nan 8.270 nan 0.000 0.461 397 N N -1.737 117.082 118.700 0.197 0.000 2.829 397 N HA -0.226 4.514 4.740 0.000 0.000 0.250 397 N C -0.799 174.675 175.510 -0.061 0.000 1.090 397 N CA 1.384 54.491 53.050 0.094 0.000 0.781 397 N CB -0.396 38.176 38.487 0.141 0.000 1.124 397 N HN 0.516 nan 8.380 nan 0.000 0.559 398 R N 0.391 120.879 120.500 -0.020 0.000 2.621 398 R HA 0.456 4.797 4.340 0.000 0.000 0.292 398 R C -0.980 175.151 176.300 -0.282 0.000 0.969 398 R CA -0.984 55.003 56.100 -0.188 0.000 0.887 398 R CB 1.753 31.916 30.300 -0.228 0.000 1.180 398 R HN 0.039 nan 8.270 nan 0.000 0.450 399 L N 3.491 124.501 121.223 -0.355 0.000 2.360 399 L HA 0.357 4.697 4.340 0.000 0.000 0.276 399 L C -1.317 175.347 176.870 -0.343 0.000 1.121 399 L CA 0.551 55.187 54.840 -0.340 0.000 0.845 399 L CB 0.153 42.141 42.059 -0.119 0.000 1.143 399 L HN 0.403 nan 8.230 nan 0.000 0.452 400 F N 4.451 124.201 119.950 -0.334 0.000 2.495 400 F HA 0.774 5.301 4.527 0.000 0.000 0.327 400 F C 0.272 175.892 175.800 -0.300 0.000 1.103 400 F CA -0.292 57.550 58.000 -0.263 0.000 0.949 400 F CB 1.914 40.647 39.000 -0.446 0.000 1.142 400 F HN 0.611 nan 8.300 nan 0.000 0.457 401 A N 3.459 126.295 122.820 0.026 0.000 2.486 401 A HA 0.715 5.035 4.320 0.000 0.000 0.300 401 A C -1.381 176.156 177.584 -0.077 0.000 1.048 401 A CA -0.756 51.240 52.037 -0.068 0.000 0.696 401 A CB 1.452 20.368 19.000 -0.139 0.000 1.278 401 A HN 0.689 nan 8.150 nan 0.000 0.405 402 M N 3.725 123.291 119.600 -0.057 0.000 2.201 402 M HA 0.389 4.869 4.480 0.000 0.000 0.345 402 M C -1.150 175.019 176.300 -0.219 0.000 1.352 402 M CA -0.620 54.637 55.300 -0.072 0.000 1.218 402 M CB -0.382 32.249 32.600 0.051 0.000 1.512 402 M HN 0.461 nan 8.290 nan 0.000 0.447 403 I N 5.235 125.538 120.570 -0.446 0.000 2.297 403 I HA 0.238 4.408 4.170 0.000 0.000 0.291 403 I C 0.160 176.077 176.117 -0.334 0.000 1.033 403 I CA -0.097 60.792 61.300 -0.685 0.000 1.253 403 I CB 0.241 37.191 38.000 -1.749 0.000 1.396 403 I HN 0.675 nan 8.210 nan 0.000 0.476 404 E N 4.205 124.323 120.200 -0.137 0.000 2.248 404 E HA 0.457 4.807 4.350 0.000 0.000 0.272 404 E C -0.464 176.166 176.600 0.051 0.000 1.008 404 E CA -0.578 55.815 56.400 -0.011 0.000 0.856 404 E CB 1.447 31.173 29.700 0.044 0.000 1.120 404 E HN 0.403 nan 8.360 nan 0.000 0.397 405 T N 2.598 117.162 114.554 0.017 0.000 2.797 405 T HA 0.471 4.822 4.350 0.000 0.000 0.279 405 T C -0.368 174.251 174.700 -0.134 0.000 0.991 405 T CA -0.763 61.299 62.100 -0.063 0.000 0.979 405 T CB 0.716 69.547 68.868 -0.062 0.000 0.943 405 T HN 0.296 nan 8.240 nan 0.000 0.444 406 R N 1.080 121.465 120.500 -0.192 0.000 2.725 406 R HA 0.565 4.905 4.340 0.000 0.000 0.277 406 R C -0.166 176.002 176.300 -0.220 0.000 0.987 406 R CA -1.050 54.927 56.100 -0.204 0.000 0.901 406 R CB 1.469 31.618 30.300 -0.251 0.000 1.207 406 R HN 0.734 nan 8.270 nan 0.000 0.463 407 T N -0.340 114.099 114.554 -0.192 0.000 2.930 407 T HA 0.095 4.446 4.350 0.000 0.000 0.306 407 T C 1.272 175.862 174.700 -0.183 0.000 1.045 407 T CA -0.532 61.456 62.100 -0.186 0.000 1.134 407 T CB 0.613 69.394 68.868 -0.145 0.000 0.961 407 T HN 0.348 nan 8.240 nan 0.000 0.545 408 L N 2.783 123.886 121.223 -0.200 0.000 2.093 408 L HA 0.084 4.424 4.340 0.000 0.000 0.208 408 L C 2.926 179.716 176.870 -0.134 0.000 1.085 408 L CA 2.102 56.833 54.840 -0.182 0.000 0.755 408 L CB -1.309 40.606 42.059 -0.239 0.000 0.904 408 L HN 0.986 nan 8.230 nan 0.000 0.435 409 A N -0.599 122.146 122.820 -0.125 0.000 1.865 409 A HA -0.216 4.104 4.320 0.000 0.000 0.217 409 A C 2.131 179.671 177.584 -0.074 0.000 1.191 409 A CA 2.041 54.025 52.037 -0.090 0.000 0.623 409 A CB -0.244 18.707 19.000 -0.082 0.000 0.826 409 A HN 0.411 nan 8.150 nan 0.000 0.444 410 K N -2.416 117.934 120.400 -0.084 0.000 2.477 410 K HA 0.146 4.466 4.320 0.000 0.000 0.208 410 K C 0.122 176.669 176.600 -0.089 0.000 1.117 410 K CA 0.179 56.423 56.287 -0.071 0.000 1.039 410 K CB 0.712 33.177 32.500 -0.059 0.000 0.937 410 K HN 0.320 nan 8.250 nan 0.000 0.570 411 N N 1.204 119.831 118.700 -0.122 0.000 2.725 411 N HA -0.187 4.553 4.740 0.000 0.000 0.249 411 N C -1.061 174.351 175.510 -0.164 0.000 1.103 411 N CA 0.826 53.776 53.050 -0.165 0.000 0.707 411 N CB -1.021 37.366 38.487 -0.166 0.000 1.043 411 N HN 0.370 nan 8.380 nan 0.000 0.553 412 A N 0.278 123.018 122.820 -0.133 0.000 2.366 412 A HA 0.491 4.811 4.320 0.000 0.000 0.272 412 A C 0.501 178.009 177.584 -0.127 0.000 1.135 412 A CA -0.503 51.467 52.037 -0.112 0.000 0.804 412 A CB 0.514 19.463 19.000 -0.084 0.000 1.064 412 A HN 0.416 nan 8.150 nan 0.000 0.499 413 L N 2.847 124.000 121.223 -0.115 0.000 2.499 413 L HA 0.262 4.603 4.340 0.000 0.000 0.273 413 L C 1.045 177.868 176.870 -0.079 0.000 1.195 413 L CA 1.402 56.179 54.840 -0.104 0.000 0.882 413 L CB 0.659 42.671 42.059 -0.078 0.000 1.133 413 L HN 0.758 nan 8.230 nan 0.000 0.483 414 T N 3.965 118.471 114.554 -0.079 0.000 2.987 414 T HA 0.232 4.582 4.350 0.000 0.000 0.248 414 T C 0.081 174.761 174.700 -0.033 0.000 0.997 414 T CA 0.034 62.094 62.100 -0.067 0.000 1.013 414 T CB -0.080 68.725 68.868 -0.105 0.000 1.077 414 T HN 0.714 nan 8.240 nan 0.000 0.483 415 N N -0.186 118.501 118.700 -0.021 0.000 2.815 415 N HA 0.238 4.978 4.740 0.000 0.000 0.253 415 N C -2.052 173.468 175.510 0.017 0.000 1.202 415 N CA -0.351 52.707 53.050 0.014 0.000 0.925 415 N CB 1.580 40.100 38.487 0.054 0.000 1.622 415 N HN 0.079 nan 8.380 nan 0.000 0.497 416 C N 1.835 121.146 119.300 0.019 0.000 2.408 416 C HA 0.925 5.386 4.460 0.000 0.000 0.321 416 C C 0.110 175.126 174.990 0.044 0.000 1.245 416 C CA -0.403 58.620 59.018 0.007 0.000 1.523 416 C CB 0.126 27.847 27.740 -0.032 0.000 2.178 416 C HN 0.708 nan 8.230 nan 0.000 0.488 417 A N 2.711 125.557 122.820 0.044 0.000 2.393 417 A HA 0.777 5.097 4.320 0.000 0.000 0.306 417 A C -1.215 176.443 177.584 0.123 0.000 1.050 417 A CA -0.460 51.664 52.037 0.145 0.000 0.724 417 A CB 0.907 20.103 19.000 0.327 0.000 1.248 417 A HN 0.840 nan 8.150 nan 0.000 0.424 418 L N 2.361 123.704 121.223 0.201 0.000 2.281 418 L HA 0.632 4.972 4.340 0.000 0.000 0.285 418 L C -1.417 175.674 176.870 0.369 0.000 1.074 418 L CA -0.035 54.927 54.840 0.203 0.000 0.817 418 L CB -0.017 42.143 42.059 0.168 0.000 1.168 418 L HN 0.634 nan 8.230 nan 0.000 0.434 419 W N 3.934 125.177 121.300 -0.095 0.000 2.573 419 W HA 0.513 5.174 4.660 0.000 0.000 0.326 419 W C -0.604 175.907 176.519 -0.014 0.000 1.049 419 W CA -1.167 56.090 57.345 -0.147 0.000 1.220 419 W CB 1.424 30.535 29.460 -0.583 0.000 1.373 419 W HN 0.672 nan 8.180 nan 0.000 0.507 420 D N 0.804 121.353 120.400 0.248 0.000 2.661 420 D HA 0.768 5.408 4.640 0.000 0.000 0.228 420 D C -0.949 175.315 176.300 -0.059 0.000 1.183 420 D CA -1.024 52.926 54.000 -0.083 0.000 0.844 420 D CB 2.116 42.345 40.800 -0.951 0.000 1.555 420 D HN 0.259 nan 8.370 nan 0.000 0.453 421 R N 0.362 120.683 120.500 -0.298 0.000 2.668 421 R HA 0.467 4.808 4.340 0.000 0.000 0.272 421 R C -2.850 173.239 176.300 -0.352 0.000 1.019 421 R CA -2.181 53.627 56.100 -0.486 0.000 0.894 421 R CB 2.387 32.035 30.300 -1.087 0.000 1.228 421 R HN 0.414 nan 8.270 nan 0.000 0.460 422 P HA 0.088 nan 4.420 nan 0.000 0.271 422 P C -0.528 176.712 177.300 -0.100 0.000 1.216 422 P CA -0.137 62.836 63.100 -0.213 0.000 0.776 422 P CB 0.646 32.233 31.700 -0.188 0.000 0.881 423 M N 1.189 120.698 119.600 -0.152 0.000 2.242 423 M HA 0.137 4.617 4.480 0.000 0.000 0.344 423 M C 0.687 176.983 176.300 -0.007 0.000 1.140 423 M CA 0.152 55.348 55.300 -0.174 0.000 1.160 423 M CB -0.126 32.092 32.600 -0.637 0.000 1.491 423 M HN 0.273 nan 8.290 nan 0.000 0.459 424 S N 3.686 119.420 115.700 0.058 0.000 2.533 424 S HA 0.395 4.865 4.470 0.000 0.000 0.282 424 S C -0.006 174.689 174.600 0.158 0.000 1.304 424 S CA -0.321 57.944 58.200 0.109 0.000 1.063 424 S CB 0.318 63.594 63.200 0.127 0.000 0.881 424 S HN 0.519 nan 8.310 nan 0.000 0.493 425 R N 1.287 121.858 120.500 0.119 0.000 2.710 425 R HA 0.544 4.884 4.340 0.000 0.000 0.270 425 R C -1.469 174.841 176.300 0.015 0.000 1.021 425 R CA -0.736 55.418 56.100 0.090 0.000 0.889 425 R CB 1.485 31.846 30.300 0.102 0.000 1.243 425 R HN 0.450 nan 8.270 nan 0.000 0.464 426 S N 1.677 117.348 115.700 -0.048 0.000 2.454 426 S HA 0.539 5.009 4.470 0.000 0.000 0.306 426 S C -0.611 173.769 174.600 -0.366 0.000 1.100 426 S CA -0.803 57.303 58.200 -0.156 0.000 1.087 426 S CB 0.750 63.887 63.200 -0.105 0.000 1.019 426 S HN 0.279 nan 8.310 nan 0.000 0.480 427 L N 4.164 125.133 121.223 -0.424 0.000 2.346 427 L HA 0.514 4.855 4.340 0.000 0.000 0.276 427 L C -0.548 175.929 176.870 -0.655 0.000 1.006 427 L CA -0.809 53.736 54.840 -0.493 0.000 0.817 427 L CB 1.158 43.037 42.059 -0.300 0.000 1.272 427 L HN 0.609 nan 8.230 nan 0.000 0.421 428 H N 5.170 124.143 119.070 -0.162 0.000 2.638 428 H HA 0.532 5.088 4.556 0.000 0.000 0.303 428 H C -0.650 174.457 175.328 -0.368 0.000 1.034 428 H CA -0.368 55.543 56.048 -0.229 0.000 1.225 428 H CB 1.304 31.046 29.762 -0.033 0.000 1.394 428 H HN 0.379 nan 8.280 nan 0.000 0.477 429 L N 1.535 122.395 121.223 -0.605 0.000 2.301 429 L HA 0.518 4.858 4.340 0.000 0.000 0.264 429 L C 0.268 176.873 176.870 -0.441 0.000 1.016 429 L CA -0.793 53.692 54.840 -0.591 0.000 0.821 429 L CB 2.182 43.711 42.059 -0.883 0.000 1.346 429 L HN 0.363 nan 8.230 nan 0.000 0.429 430 T N 0.902 115.395 114.554 -0.103 0.000 2.815 430 T HA 0.612 4.962 4.350 0.000 0.000 0.289 430 T C 0.171 175.023 174.700 0.253 0.000 1.000 430 T CA 0.124 62.280 62.100 0.093 0.000 0.958 430 T CB 1.408 70.306 68.868 0.051 0.000 0.944 430 T HN 1.050 nan 8.240 nan 0.000 0.442 431 G N 2.226 111.270 108.800 0.406 0.000 2.645 431 G HA2 0.208 4.168 3.960 0.000 0.000 0.246 431 G HA3 0.208 4.168 3.960 0.000 0.000 0.246 431 G C 0.783 175.927 174.900 0.408 0.000 1.322 431 G CA 0.319 45.599 45.100 0.299 0.000 0.898 431 G HN 1.959 nan 8.290 nan 0.000 0.573 432 G N -2.072 106.846 108.800 0.197 0.000 2.175 432 G HA2 -0.109 3.851 3.960 0.000 0.000 0.244 432 G HA3 -0.109 3.851 3.960 0.000 0.000 0.244 432 G C 0.345 175.289 174.900 0.073 0.000 0.982 432 G CA 0.779 46.002 45.100 0.205 0.000 0.641 432 G HN 1.561 nan 8.290 nan 0.000 0.527 433 I N 2.343 122.852 120.570 -0.102 0.000 2.339 433 I HA 0.536 4.706 4.170 0.000 0.000 0.290 433 I C 0.451 176.456 176.117 -0.187 0.000 0.994 433 I CA -0.229 60.919 61.300 -0.253 0.000 1.191 433 I CB 1.857 39.538 38.000 -0.532 0.000 1.343 433 I HN 0.234 nan 8.210 nan 0.000 0.458 434 T N 2.431 116.893 114.554 -0.153 0.000 2.893 434 T HA 0.536 4.886 4.350 0.000 0.000 0.291 434 T C -0.695 173.936 174.700 -0.114 0.000 1.028 434 T CA -0.991 61.039 62.100 -0.116 0.000 0.995 434 T CB 2.489 71.311 68.868 -0.076 0.000 1.051 434 T HN 0.577 nan 8.240 nan 0.000 0.470 435 K N 1.542 121.885 120.400 -0.096 0.000 2.640 435 K HA 0.619 4.939 4.320 0.000 0.000 0.245 435 K C -0.330 176.239 176.600 -0.052 0.000 0.962 435 K CA -0.687 55.553 56.287 -0.078 0.000 0.896 435 K CB 1.336 33.773 32.500 -0.104 0.000 1.147 435 K HN 0.960 nan 8.250 nan 0.000 0.445 436 A N 2.769 125.571 122.820 -0.030 0.000 2.445 436 A HA 0.494 4.814 4.320 0.000 0.000 0.242 436 A C 0.274 177.847 177.584 -0.019 0.000 1.075 436 A CA 0.076 52.101 52.037 -0.021 0.000 0.777 436 A CB 0.320 19.314 19.000 -0.009 0.000 1.013 436 A HN 0.867 nan 8.150 nan 0.000 0.493 437 A N 2.356 125.164 122.820 -0.020 0.000 2.520 437 A HA 0.371 4.692 4.320 0.000 0.000 0.235 437 A C 0.938 178.516 177.584 -0.010 0.000 1.065 437 A CA 0.475 52.501 52.037 -0.019 0.000 0.764 437 A CB -0.315 18.674 19.000 -0.017 0.000 1.002 437 A HN 1.403 nan 8.150 nan 0.000 0.502 438 N N -1.235 117.457 118.700 -0.013 0.000 2.782 438 N HA -0.181 4.560 4.740 0.000 0.000 0.251 438 N C -0.314 175.198 175.510 0.004 0.000 1.101 438 N CA 1.753 54.798 53.050 -0.007 0.000 0.764 438 N CB -1.584 36.901 38.487 -0.004 0.000 1.122 438 N HN 1.047 nan 8.380 nan 0.000 0.561 439 Q N -1.947 117.856 119.800 0.006 0.000 2.534 439 Q HA 0.570 4.910 4.340 0.000 0.000 0.290 439 Q C 0.083 176.084 176.000 0.003 0.000 0.991 439 Q CA -0.834 54.989 55.803 0.032 0.000 0.783 439 Q CB 0.731 29.519 28.738 0.082 0.000 1.470 439 Q HN -0.011 nan 8.270 nan 0.000 0.406 440 R N -0.379 120.102 120.500 -0.031 0.000 2.312 440 R HA 0.251 4.591 4.340 0.000 0.000 0.205 440 R C -0.339 175.804 176.300 -0.261 0.000 0.904 440 R CA 0.167 56.155 56.100 -0.187 0.000 1.052 440 R CB 0.304 30.429 30.300 -0.292 0.000 1.014 440 R HN 0.511 nan 8.270 nan 0.000 0.503 441 Y N 0.277 120.543 120.300 -0.055 0.000 2.320 441 Y HA 0.452 5.002 4.550 0.000 0.000 0.324 441 Y C 0.394 176.236 175.900 -0.097 0.000 1.190 441 Y CA -0.977 57.085 58.100 -0.064 0.000 1.215 441 Y CB 1.202 39.639 38.460 -0.038 0.000 1.221 441 Y HN -0.071 nan 8.280 nan 0.000 0.486 442 A N 1.409 124.238 122.820 0.015 0.000 2.342 442 A HA 0.604 4.924 4.320 0.000 0.000 0.323 442 A C -0.275 177.252 177.584 -0.094 0.000 1.125 442 A CA -0.671 51.309 52.037 -0.096 0.000 0.785 442 A CB 0.803 19.662 19.000 -0.235 0.000 1.221 442 A HN 0.683 nan 8.150 nan 0.000 0.463 443 T N 1.751 116.236 114.554 -0.115 0.000 2.829 443 T HA 0.600 4.950 4.350 0.000 0.000 0.282 443 T C -0.417 174.145 174.700 -0.230 0.000 0.990 443 T CA -0.532 61.480 62.100 -0.148 0.000 1.028 443 T CB 0.097 68.919 68.868 -0.077 0.000 0.951 443 T HN 0.388 nan 8.240 nan 0.000 0.460 444 I N 5.060 125.383 120.570 -0.412 0.000 2.389 444 I HA 0.266 4.437 4.170 0.000 0.000 0.288 444 I C 0.325 176.246 176.117 -0.326 0.000 0.999 444 I CA -0.826 60.200 61.300 -0.456 0.000 1.129 444 I CB 1.077 38.571 38.000 -0.843 0.000 1.288 444 I HN 0.836 nan 8.210 nan 0.000 0.444 445 H N 6.768 125.784 119.070 -0.089 0.000 2.761 445 H HA 0.486 5.042 4.556 0.000 0.000 0.284 445 H C -1.528 173.883 175.328 0.138 0.000 1.105 445 H CA -0.210 55.857 56.048 0.032 0.000 1.352 445 H CB 1.112 30.911 29.762 0.062 0.000 1.423 445 H HN 0.340 nan 8.280 nan 0.000 0.464 446 V N 8.500 128.319 119.914 -0.157 0.000 2.445 446 V HA 0.183 4.303 4.120 0.000 0.000 0.283 446 V C -2.329 173.742 176.094 -0.039 0.000 1.014 446 V CA -1.690 60.608 62.300 -0.004 0.000 0.852 446 V CB 1.495 33.489 31.823 0.285 0.000 1.021 446 V HN 0.764 nan 8.190 nan 0.000 0.435 447 P HA 0.104 nan 4.420 nan 0.000 0.261 447 P C 0.053 177.319 177.300 -0.057 0.000 1.183 447 P CA 0.606 63.632 63.100 -0.124 0.000 0.761 447 P CB 0.189 31.852 31.700 -0.062 0.000 0.785 448 D N 1.238 121.562 120.400 -0.127 0.000 2.708 448 D HA -0.200 4.440 4.640 0.000 0.000 0.236 448 D C 1.240 177.438 176.300 -0.170 0.000 1.146 448 D CA 0.785 54.668 54.000 -0.196 0.000 0.662 448 D CB -1.231 39.507 40.800 -0.104 0.000 1.059 448 D HN 0.710 nan 8.370 nan 0.000 0.428 449 H N -0.897 118.172 119.070 -0.001 0.000 2.421 449 H HA 0.016 4.572 4.556 0.000 0.000 0.298 449 H C 1.781 177.088 175.328 -0.035 0.000 1.087 449 H CA 1.324 57.388 56.048 0.026 0.000 1.330 449 H CB -0.195 29.650 29.762 0.139 0.000 1.388 449 H HN 0.378 nan 8.280 nan 0.000 0.526 450 G N 1.342 110.017 108.800 -0.208 0.000 2.198 450 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 450 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 450 G C -0.023 174.823 174.900 -0.091 0.000 1.025 450 G CA 0.556 45.613 45.100 -0.071 0.000 0.769 450 G HN 0.399 nan 8.290 nan 0.000 0.507 451 L N -0.954 120.351 121.223 0.136 0.000 2.344 451 L HA 0.835 5.175 4.340 0.000 0.000 0.272 451 L C 0.293 177.111 176.870 -0.087 0.000 1.035 451 L CA -1.223 53.532 54.840 -0.143 0.000 0.807 451 L CB 0.961 42.838 42.059 -0.303 0.000 1.237 451 L HN -0.031 nan 8.230 nan 0.000 0.442 452 F N -0.246 119.719 119.950 0.026 0.000 2.575 452 F HA 0.429 4.956 4.527 0.000 0.000 0.330 452 F C 0.224 176.010 175.800 -0.024 0.000 1.056 452 F CA -1.344 56.677 58.000 0.035 0.000 0.964 452 F CB 1.194 40.211 39.000 0.028 0.000 1.258 452 F HN -0.069 nan 8.300 nan 0.000 0.484 453 V N 1.847 121.898 119.914 0.227 0.000 2.625 453 V HA 0.264 4.384 4.120 0.000 0.000 0.305 453 V C 0.988 177.131 176.094 0.082 0.000 1.055 453 V CA 1.800 64.168 62.300 0.114 0.000 1.209 453 V CB -0.128 31.748 31.823 0.088 0.000 0.877 453 V HN 1.087 nan 8.190 nan 0.000 0.489 454 G N 3.654 112.482 108.800 0.048 0.000 2.195 454 G HA2 -0.188 3.773 3.960 0.000 0.000 0.246 454 G HA3 -0.188 3.773 3.960 0.000 0.000 0.246 454 G C -0.041 174.867 174.900 0.013 0.000 0.984 454 G CA 0.053 45.172 45.100 0.031 0.000 0.633 454 G HN 0.682 nan 8.290 nan 0.000 0.525 455 D N -0.183 120.212 120.400 -0.009 0.000 2.362 455 D HA 0.439 5.080 4.640 0.000 0.000 0.242 455 D C 0.421 176.711 176.300 -0.017 0.000 1.132 455 D CA -0.295 53.682 54.000 -0.038 0.000 0.907 455 D CB 0.508 41.245 40.800 -0.105 0.000 1.195 455 D HN 0.141 nan 8.370 nan 0.000 0.429 456 F N 1.925 121.807 119.950 -0.113 0.000 2.484 456 F HA 0.302 4.830 4.527 0.000 0.000 0.360 456 F C -0.151 175.591 175.800 -0.096 0.000 1.101 456 F CA -0.289 57.665 58.000 -0.076 0.000 1.251 456 F CB 0.503 39.461 39.000 -0.069 0.000 1.132 456 F HN 0.048 nan 8.300 nan 0.000 0.570 457 V N 4.347 123.764 119.914 -0.829 0.000 2.733 457 V HA 0.452 4.572 4.120 0.000 0.000 0.306 457 V C -1.227 174.321 176.094 -0.909 0.000 1.084 457 V CA -1.029 60.871 62.300 -0.667 0.000 0.905 457 V CB 1.442 33.076 31.823 -0.316 0.000 1.010 457 V HN 0.886 nan 8.190 nan 0.000 0.424 458 N N 2.880 121.168 118.700 -0.686 0.000 2.321 458 N HA 0.620 5.361 4.740 0.000 0.000 0.299 458 N C -2.010 173.282 175.510 -0.365 0.000 1.048 458 N CA -0.361 52.481 53.050 -0.346 0.000 0.836 458 N CB 2.176 40.690 38.487 0.044 0.000 1.269 458 N HN 0.634 nan 8.380 nan 0.000 0.486 459 F N 0.686 120.694 119.950 0.097 0.000 2.495 459 F HA 0.422 4.949 4.527 0.000 0.000 0.327 459 F C 0.227 176.140 175.800 0.189 0.000 1.103 459 F CA -0.506 57.606 58.000 0.187 0.000 0.949 459 F CB 2.156 41.213 39.000 0.094 0.000 1.142 459 F HN 0.226 nan 8.300 nan 0.000 0.457 460 S N 2.402 118.373 115.700 0.452 0.000 2.538 460 S HA 0.321 4.791 4.470 0.000 0.000 0.288 460 S C -0.347 174.510 174.600 0.429 0.000 1.108 460 S CA -1.083 57.338 58.200 0.368 0.000 0.971 460 S CB 1.413 64.799 63.200 0.311 0.000 1.041 460 S HN 0.759 nan 8.310 nan 0.000 0.483 461 N N 0.961 119.838 118.700 0.296 0.000 2.725 461 N HA -0.207 4.533 4.740 0.000 0.000 0.249 461 N C 1.218 176.861 175.510 0.221 0.000 1.103 461 N CA 0.993 54.195 53.050 0.253 0.000 0.707 461 N CB -1.499 37.171 38.487 0.305 0.000 1.043 461 N HN 0.807 nan 8.380 nan 0.000 0.553 462 S N -0.271 115.508 115.700 0.132 0.000 2.400 462 S HA 0.062 4.533 4.470 0.000 0.000 0.232 462 S C 1.488 175.992 174.600 -0.160 0.000 1.025 462 S CA 1.561 59.684 58.200 -0.129 0.000 0.993 462 S CB -0.164 62.868 63.200 -0.279 0.000 0.808 462 S HN 1.368 nan 8.310 nan 0.000 0.478 463 A N -0.784 121.998 122.820 -0.065 0.000 2.847 463 A HA -0.083 4.237 4.320 0.000 0.000 0.263 463 A C 0.263 177.779 177.584 -0.113 0.000 1.391 463 A CA 0.837 52.836 52.037 -0.063 0.000 0.866 463 A CB -2.371 16.609 19.000 -0.033 0.000 1.057 463 A HN 1.040 nan 8.150 nan 0.000 0.673 464 V N 0.965 120.783 119.914 -0.161 0.000 2.443 464 V HA 0.426 4.547 4.120 0.000 0.000 0.293 464 V C 0.679 176.676 176.094 -0.162 0.000 1.021 464 V CA -0.056 62.136 62.300 -0.179 0.000 0.848 464 V CB 1.658 33.325 31.823 -0.260 0.000 0.998 464 V HN 0.502 nan 8.190 nan 0.000 0.424 465 T N 3.967 118.448 114.554 -0.121 0.000 2.849 465 T HA 0.331 4.681 4.350 0.000 0.000 0.289 465 T C 1.336 175.958 174.700 -0.130 0.000 1.010 465 T CA 1.410 63.448 62.100 -0.104 0.000 1.161 465 T CB 0.273 69.093 68.868 -0.081 0.000 0.989 465 T HN 1.537 nan 8.240 nan 0.000 0.523 466 G N 2.310 111.038 108.800 -0.119 0.000 2.225 466 G HA2 -0.253 3.707 3.960 0.000 0.000 0.254 466 G HA3 -0.253 3.707 3.960 0.000 0.000 0.254 466 G C 0.258 175.048 174.900 -0.183 0.000 0.988 466 G CA -0.121 44.901 45.100 -0.131 0.000 0.625 466 G HN 0.783 nan 8.290 nan 0.000 0.527 467 V N 1.661 121.426 119.914 -0.249 0.000 2.258 467 V HA 0.699 4.819 4.120 0.000 0.000 0.258 467 V C 0.363 176.312 176.094 -0.241 0.000 1.121 467 V CA 0.561 62.605 62.300 -0.426 0.000 0.942 467 V CB 0.812 32.251 31.823 -0.641 0.000 1.170 467 V HN 0.686 nan 8.190 nan 0.000 0.487 468 S N 3.153 118.803 115.700 -0.084 0.000 2.548 468 S HA 0.719 5.189 4.470 0.000 0.000 0.278 468 S C 0.028 174.705 174.600 0.129 0.000 1.150 468 S CA 0.563 58.804 58.200 0.068 0.000 0.907 468 S CB 1.455 64.667 63.200 0.020 0.000 1.108 468 S HN 1.725 nan 8.310 nan 0.000 0.459 469 G N 3.877 112.785 108.800 0.181 0.000 2.562 469 G HA2 -0.170 3.790 3.960 0.000 0.000 0.250 469 G HA3 -0.170 3.790 3.960 0.000 0.000 0.250 469 G C -1.226 173.753 174.900 0.132 0.000 1.269 469 G CA 0.148 45.336 45.100 0.146 0.000 0.919 469 G HN 0.791 nan 8.290 nan 0.000 0.574 470 D N 1.458 121.912 120.400 0.090 0.000 2.343 470 D HA 0.586 5.227 4.640 0.000 0.000 0.255 470 D C 0.944 177.212 176.300 -0.054 0.000 1.187 470 D CA 0.702 54.695 54.000 -0.012 0.000 0.875 470 D CB 0.746 41.663 40.800 0.196 0.000 1.136 470 D HN 0.508 nan 8.370 nan 0.000 0.469 471 M N 0.476 119.956 119.600 -0.200 0.000 2.791 471 M HA 0.456 4.936 4.480 0.000 0.000 0.286 471 M C -0.063 176.153 176.300 -0.140 0.000 1.238 471 M CA -0.855 54.412 55.300 -0.055 0.000 0.762 471 M CB 2.405 35.094 32.600 0.148 0.000 1.758 471 M HN 0.282 nan 8.290 nan 0.000 0.447 472 T N -1.666 112.879 114.554 -0.014 0.000 2.903 472 T HA 0.631 4.981 4.350 0.000 0.000 0.299 472 T C -0.687 174.043 174.700 0.050 0.000 1.093 472 T CA -0.861 61.231 62.100 -0.013 0.000 1.002 472 T CB 1.300 70.179 68.868 0.019 0.000 1.127 472 T HN 0.357 nan 8.240 nan 0.000 0.488 473 V N 2.694 122.608 119.914 -0.000 0.000 2.485 473 V HA 0.429 4.550 4.120 0.000 0.000 0.287 473 V C 1.512 177.670 176.094 0.106 0.000 1.022 473 V CA 0.578 62.897 62.300 0.033 0.000 1.067 473 V CB 0.027 31.754 31.823 -0.160 0.000 0.967 473 V HN 1.213 nan 8.190 nan 0.000 0.479 474 A N 4.683 127.614 122.820 0.186 0.000 1.887 474 A HA 0.259 4.579 4.320 0.000 0.000 0.212 474 A C 1.084 178.750 177.584 0.136 0.000 1.198 474 A CA 1.153 53.305 52.037 0.192 0.000 0.628 474 A CB 0.110 19.314 19.000 0.340 0.000 0.847 474 A HN 0.862 nan 8.150 nan 0.000 0.449 475 T N -3.085 111.551 114.554 0.137 0.000 2.916 475 T HA 0.523 4.873 4.350 0.000 0.000 0.305 475 T C -0.909 173.890 174.700 0.165 0.000 1.119 475 T CA -0.082 62.077 62.100 0.099 0.000 1.008 475 T CB 1.281 70.155 68.868 0.010 0.000 1.129 475 T HN 1.051 nan 8.240 nan 0.000 0.480 476 V N 3.613 123.632 119.914 0.175 0.000 2.370 476 V HA 0.553 4.673 4.120 0.000 0.000 0.283 476 V C 0.633 176.845 176.094 0.196 0.000 1.023 476 V CA -0.638 61.810 62.300 0.247 0.000 0.857 476 V CB 0.288 32.322 31.823 0.351 0.000 0.985 476 V HN 0.997 nan 8.190 nan 0.000 0.443 477 I N 4.134 124.822 120.570 0.197 0.000 2.277 477 I HA 0.139 4.309 4.170 0.000 0.000 0.243 477 I C 0.773 176.978 176.117 0.148 0.000 1.094 477 I CA 1.451 62.833 61.300 0.136 0.000 1.393 477 I CB 0.079 38.144 38.000 0.109 0.000 1.078 477 I HN 0.991 nan 8.210 nan 0.000 0.417 478 D N -1.591 118.931 120.400 0.202 0.000 2.851 478 D HA 0.040 4.680 4.640 0.000 0.000 0.339 478 D C 0.302 176.718 176.300 0.193 0.000 1.347 478 D CA -0.696 53.403 54.000 0.166 0.000 0.888 478 D CB 0.223 41.092 40.800 0.114 0.000 1.431 478 D HN -0.022 nan 8.370 nan 0.000 0.509 479 K N -0.971 119.460 120.400 0.051 0.000 2.283 479 K HA -0.034 4.286 4.320 0.000 0.000 0.202 479 K C -0.080 176.376 176.600 -0.241 0.000 1.048 479 K CA 1.284 57.475 56.287 -0.159 0.000 0.948 479 K CB -0.203 32.188 32.500 -0.181 0.000 0.742 479 K HN 0.230 nan 8.250 nan 0.000 0.458 480 D N 0.097 120.522 120.400 0.041 0.000 2.398 480 D HA 0.098 4.738 4.640 0.000 0.000 0.210 480 D C -0.662 175.773 176.300 0.226 0.000 1.094 480 D CA 0.094 54.141 54.000 0.078 0.000 0.839 480 D CB 0.261 41.071 40.800 0.015 0.000 0.963 480 D HN 0.271 nan 8.370 nan 0.000 0.506 481 N N -0.024 118.919 118.700 0.404 0.000 2.308 481 N HA 0.482 5.222 4.740 0.000 0.000 0.283 481 N C -1.122 174.538 175.510 0.250 0.000 1.105 481 N CA -0.816 52.368 53.050 0.223 0.000 0.840 481 N CB 2.064 40.651 38.487 0.166 0.000 1.633 481 N HN -0.085 nan 8.380 nan 0.000 0.476 482 F N -1.819 118.124 119.950 -0.012 0.000 2.685 482 F HA 0.852 5.379 4.527 0.000 0.000 0.315 482 F C -0.627 175.179 175.800 0.009 0.000 1.126 482 F CA -0.975 56.999 58.000 -0.044 0.000 0.950 482 F CB 1.191 40.065 39.000 -0.210 0.000 1.360 482 F HN 0.361 nan 8.300 nan 0.000 0.469 483 T N -0.191 114.514 114.554 0.252 0.000 2.924 483 T HA 0.806 5.157 4.350 0.000 0.000 0.291 483 T C -0.874 174.022 174.700 0.327 0.000 1.045 483 T CA -0.430 61.769 62.100 0.164 0.000 1.015 483 T CB 1.566 70.506 68.868 0.120 0.000 1.103 483 T HN 1.604 nan 8.240 nan 0.000 0.496 484 V N -0.067 119.983 119.914 0.226 0.000 2.789 484 V HA 0.792 4.912 4.120 0.000 0.000 0.311 484 V C -0.706 175.447 176.094 0.099 0.000 1.073 484 V CA -1.328 61.086 62.300 0.191 0.000 0.921 484 V CB 1.420 33.313 31.823 0.116 0.000 1.009 484 V HN 1.000 nan 8.190 nan 0.000 0.426 485 L N 4.702 125.930 121.223 0.008 0.000 2.278 485 L HA 0.668 5.008 4.340 0.000 0.000 0.287 485 L C 0.721 177.447 176.870 -0.240 0.000 1.072 485 L CA 0.850 55.495 54.840 -0.326 0.000 0.819 485 L CB 0.939 42.797 42.059 -0.335 0.000 1.176 485 L HN 1.169 nan 8.230 nan 0.000 0.435 486 T N 2.250 116.639 114.554 -0.275 0.000 2.881 486 T HA 0.523 4.874 4.350 0.000 0.000 0.278 486 T C -1.839 172.754 174.700 -0.179 0.000 0.982 486 T CA -1.601 60.380 62.100 -0.198 0.000 0.989 486 T CB 1.137 69.893 68.868 -0.187 0.000 1.058 486 T HN 0.532 nan 8.240 nan 0.000 0.529 487 P HA 0.133 nan 4.420 nan 0.000 0.237 487 P C 0.026 177.270 177.300 -0.095 0.000 1.178 487 P CA 0.363 63.404 63.100 -0.099 0.000 0.766 487 P CB -0.091 31.567 31.700 -0.069 0.000 0.876 488 N N -1.050 117.587 118.700 -0.105 0.000 2.934 488 N HA 0.262 5.002 4.740 0.000 0.000 0.253 488 N C -1.455 174.003 175.510 -0.087 0.000 1.466 488 N CA -0.829 52.170 53.050 -0.084 0.000 0.858 488 N CB 1.564 40.011 38.487 -0.067 0.000 1.459 488 N HN -0.118 nan 8.380 nan 0.000 0.532 489 Q N -0.056 119.705 119.800 -0.066 0.000 2.421 489 Q HA 0.546 4.886 4.340 0.000 0.000 0.280 489 Q C -1.623 174.350 176.000 -0.045 0.000 1.085 489 Q CA -0.820 54.949 55.803 -0.056 0.000 0.807 489 Q CB 2.332 31.043 28.738 -0.044 0.000 1.405 489 Q HN 0.513 nan 8.270 nan 0.000 0.419 490 Q N 0.291 120.066 119.800 -0.043 0.000 2.359 490 Q HA 0.405 4.745 4.340 0.000 0.000 0.275 490 Q C 0.040 176.023 176.000 -0.029 0.000 1.082 490 Q CA -0.331 55.450 55.803 -0.037 0.000 0.849 490 Q CB 2.166 30.878 28.738 -0.043 0.000 1.377 490 Q HN 0.871 nan 8.270 nan 0.000 0.452 491 T N -3.427 111.112 114.554 -0.025 0.000 3.086 491 T HA 0.237 4.587 4.350 0.000 0.000 0.250 491 T C 0.392 175.080 174.700 -0.020 0.000 1.074 491 T CA 0.151 62.239 62.100 -0.020 0.000 0.988 491 T CB -0.070 68.788 68.868 -0.017 0.000 0.988 491 T HN 0.436 nan 8.240 nan 0.000 0.530 492 S N 0.193 115.878 115.700 -0.024 0.000 2.599 492 S HA 0.590 5.060 4.470 0.000 0.000 0.287 492 S C -1.444 173.138 174.600 -0.030 0.000 1.105 492 S CA -0.975 57.211 58.200 -0.024 0.000 0.899 492 S CB 1.672 64.858 63.200 -0.023 0.000 1.100 492 S HN 0.039 nan 8.310 nan 0.000 0.482 493 D N 1.313 121.695 120.400 -0.029 0.000 2.414 493 D HA 0.405 5.046 4.640 0.000 0.000 0.242 493 D C -0.342 175.932 176.300 -0.043 0.000 1.129 493 D CA 0.241 54.220 54.000 -0.035 0.000 0.885 493 D CB 0.472 41.254 40.800 -0.031 0.000 1.198 493 D HN 0.505 nan 8.370 nan 0.000 0.437 494 L N 2.291 123.480 121.223 -0.056 0.000 2.346 494 L HA 0.511 4.852 4.340 0.000 0.000 0.274 494 L C 0.066 176.889 176.870 -0.078 0.000 1.007 494 L CA -0.904 53.895 54.840 -0.069 0.000 0.818 494 L CB 1.552 43.559 42.059 -0.086 0.000 1.284 494 L HN 0.211 nan 8.230 nan 0.000 0.424 495 N N 1.577 120.232 118.700 -0.075 0.000 2.503 495 N HA 0.110 4.851 4.740 0.000 0.000 0.287 495 N C -0.827 174.641 175.510 -0.071 0.000 1.096 495 N CA -0.482 52.523 53.050 -0.075 0.000 0.936 495 N CB 1.401 39.857 38.487 -0.051 0.000 1.570 495 N HN 0.668 nan 8.380 nan 0.000 0.504 496 N N 2.238 120.881 118.700 -0.094 0.000 2.322 496 N HA 0.124 4.864 4.740 0.000 0.000 0.216 496 N C -0.013 175.494 175.510 -0.005 0.000 1.144 496 N CA -0.290 52.716 53.050 -0.075 0.000 0.830 496 N CB -0.160 38.230 38.487 -0.162 0.000 1.034 496 N HN 0.535 nan 8.380 nan 0.000 0.484 497 A N -0.031 122.790 122.820 0.001 0.000 2.608 497 A HA 0.371 4.691 4.320 0.000 0.000 0.239 497 A C 1.633 179.242 177.584 0.041 0.000 1.018 497 A CA 0.819 52.873 52.037 0.028 0.000 0.766 497 A CB -0.962 18.043 19.000 0.007 0.000 0.928 497 A HN 1.107 nan 8.150 nan 0.000 0.512 498 G N 1.881 110.718 108.800 0.063 0.000 2.205 498 G HA2 -0.258 3.702 3.960 0.000 0.000 0.261 498 G HA3 -0.258 3.702 3.960 0.000 0.000 0.261 498 G C 0.271 175.217 174.900 0.075 0.000 0.980 498 G CA 0.870 46.004 45.100 0.058 0.000 0.632 498 G HN 0.925 nan 8.290 nan 0.000 0.533 499 K N 0.859 121.323 120.400 0.106 0.000 2.156 499 K HA 0.445 4.765 4.320 0.000 0.000 0.271 499 K C -0.512 176.221 176.600 0.220 0.000 0.995 499 K CA -0.831 55.534 56.287 0.129 0.000 0.890 499 K CB 0.663 33.222 32.500 0.098 0.000 1.073 499 K HN 0.101 nan 8.250 nan 0.000 0.454 500 N N 3.501 122.290 118.700 0.149 0.000 2.444 500 N HA 0.283 5.023 4.740 0.000 0.000 0.271 500 N C -0.757 174.821 175.510 0.113 0.000 1.069 500 N CA -0.294 52.802 53.050 0.077 0.000 0.965 500 N CB 0.639 39.125 38.487 -0.001 0.000 1.092 500 N HN 0.582 nan 8.380 nan 0.000 0.476 501 W N 0.908 122.073 121.300 -0.225 0.000 3.039 501 W HA 0.497 5.157 4.660 0.000 0.000 0.354 501 W C -1.452 174.774 176.519 -0.488 0.000 1.206 501 W CA -0.631 56.565 57.345 -0.248 0.000 1.134 501 W CB 0.348 29.805 29.460 -0.006 0.000 1.493 501 W HN 0.393 nan 8.180 nan 0.000 0.591 502 H N 0.806 120.044 119.070 0.279 0.000 2.806 502 H HA 0.688 5.245 4.556 0.000 0.000 0.367 502 H C -0.594 174.802 175.328 0.113 0.000 1.136 502 H CA -0.762 55.302 56.048 0.027 0.000 1.178 502 H CB 2.934 32.780 29.762 0.140 0.000 1.718 502 H HN 0.355 nan 8.280 nan 0.000 0.540 503 M N 1.211 120.786 119.600 -0.041 0.000 2.593 503 M HA 0.573 5.054 4.480 0.000 0.000 0.290 503 M C -0.620 175.618 176.300 -0.105 0.000 1.244 503 M CA -0.211 55.037 55.300 -0.087 0.000 0.857 503 M CB 2.260 34.801 32.600 -0.098 0.000 1.738 503 M HN 0.959 nan 8.290 nan 0.000 0.461 504 G N 1.266 110.032 108.800 -0.057 0.000 2.321 504 G HA2 -0.061 3.899 3.960 0.000 0.000 0.219 504 G HA3 -0.061 3.899 3.960 0.000 0.000 0.219 504 G C -0.492 174.438 174.900 0.050 0.000 1.057 504 G CA -0.015 45.066 45.100 -0.033 0.000 0.849 504 G HN 0.915 nan 8.290 nan 0.000 0.520 505 T N -2.096 112.520 114.554 0.104 0.000 2.952 505 T HA 0.817 5.167 4.350 0.000 0.000 0.286 505 T C -0.156 174.668 174.700 0.207 0.000 1.024 505 T CA -0.238 61.966 62.100 0.174 0.000 1.029 505 T CB 2.423 71.327 68.868 0.060 0.000 1.094 505 T HN 1.249 nan 8.240 nan 0.000 0.515 506 S N 0.577 116.382 115.700 0.175 0.000 2.720 506 S HA 0.361 4.832 4.470 0.000 0.000 0.278 506 S C 0.089 174.657 174.600 -0.054 0.000 1.172 506 S CA -0.873 57.321 58.200 -0.011 0.000 1.019 506 S CB 0.691 63.656 63.200 -0.391 0.000 1.049 506 S HN 0.742 nan 8.310 nan 0.000 0.483 507 F N 5.072 124.881 119.950 -0.235 0.000 2.069 507 F HA -0.110 4.417 4.527 0.000 0.000 0.298 507 F C 2.214 177.706 175.800 -0.513 0.000 1.113 507 F CA 2.009 59.751 58.000 -0.430 0.000 1.214 507 F CB -0.101 38.608 39.000 -0.486 0.000 0.978 507 F HN 0.825 nan 8.300 nan 0.000 0.474 508 H N -0.062 118.965 119.070 -0.073 0.000 2.423 508 H HA -0.033 4.523 4.556 0.000 0.000 0.297 508 H C 1.519 176.677 175.328 -0.283 0.000 1.075 508 H CA 1.226 57.159 56.048 -0.192 0.000 1.342 508 H CB -0.183 29.551 29.762 -0.047 0.000 1.395 508 H HN 0.247 nan 8.280 nan 0.000 0.530 509 K N 1.222 121.493 120.400 -0.215 0.000 2.404 509 K HA 0.177 4.497 4.320 0.000 0.000 0.194 509 K C 0.307 176.825 176.600 -0.137 0.000 1.023 509 K CA 0.044 56.199 56.287 -0.221 0.000 1.094 509 K CB 0.728 32.949 32.500 -0.465 0.000 0.841 509 K HN -0.001 nan 8.250 nan 0.000 0.523 510 S N 2.809 118.370 115.700 -0.232 0.000 2.475 510 S HA 0.384 4.854 4.470 0.000 0.000 0.298 510 S C -2.475 171.901 174.600 -0.373 0.000 1.119 510 S CA -1.280 56.784 58.200 -0.226 0.000 1.085 510 S CB 1.976 65.043 63.200 -0.222 0.000 1.028 510 S HN 0.049 nan 8.310 nan 0.000 0.489 511 P HA 0.159 nan 4.420 nan 0.000 0.274 511 P C -0.904 176.199 177.300 -0.329 0.000 1.231 511 P CA -0.601 62.337 63.100 -0.270 0.000 0.790 511 P CB 0.447 32.067 31.700 -0.134 0.000 0.951 512 W N 1.712 122.798 121.300 -0.356 0.000 2.193 512 W HA 0.161 4.822 4.660 0.001 0.000 0.338 512 W C 1.507 177.836 176.519 -0.318 0.000 1.310 512 W CA -0.096 57.012 57.345 -0.395 0.000 1.243 512 W CB 0.232 29.328 29.460 -0.607 0.000 1.165 512 W HN 0.270 nan 8.180 nan 0.000 0.566 513 R N 3.528 124.055 120.500 0.044 0.000 2.221 513 R HA 0.247 4.588 4.340 0.000 0.000 0.327 513 R C -0.794 175.467 176.300 -0.066 0.000 1.033 513 R CA -0.465 55.632 56.100 -0.004 0.000 0.887 513 R CB 0.316 30.663 30.300 0.077 0.000 1.057 513 R HN 0.423 nan 8.270 nan 0.000 0.455 514 K N 3.234 123.528 120.400 -0.177 0.000 2.339 514 K HA 0.239 4.559 4.320 0.000 0.000 0.264 514 K C -1.100 175.480 176.600 -0.034 0.000 0.986 514 K CA -0.544 55.598 56.287 -0.243 0.000 0.866 514 K CB 2.255 34.412 32.500 -0.572 0.000 1.103 514 K HN 0.453 nan 8.250 nan 0.000 0.441 515 T N 1.955 116.562 114.554 0.089 0.000 2.770 515 T HA 0.063 4.413 4.350 0.000 0.000 0.297 515 T C -0.667 174.115 174.700 0.138 0.000 0.997 515 T CA -0.598 61.564 62.100 0.103 0.000 0.949 515 T CB 0.603 69.550 68.868 0.131 0.000 0.941 515 T HN 0.390 nan 8.240 nan 0.000 0.457 516 D N 3.050 123.513 120.400 0.105 0.000 2.339 516 D HA 0.123 4.763 4.640 0.000 0.000 0.256 516 D C 0.651 177.013 176.300 0.104 0.000 1.214 516 D CA -0.293 53.773 54.000 0.110 0.000 0.877 516 D CB 0.664 41.515 40.800 0.084 0.000 1.111 516 D HN 0.443 nan 8.370 nan 0.000 0.478 517 L N 3.115 124.401 121.223 0.105 0.000 2.640 517 L HA 0.323 4.663 4.340 0.000 0.000 0.230 517 L C 1.565 178.474 176.870 0.065 0.000 1.123 517 L CA 0.014 54.917 54.840 0.105 0.000 0.900 517 L CB -0.488 41.624 42.059 0.089 0.000 1.146 517 L HN 0.678 nan 8.230 nan 0.000 0.484 518 G N 1.248 110.081 108.800 0.055 0.000 2.601 518 G HA2 -0.324 3.636 3.960 0.000 0.000 0.252 518 G HA3 -0.324 3.636 3.960 0.000 0.000 0.252 518 G C -0.632 174.279 174.900 0.019 0.000 1.294 518 G CA -0.347 44.775 45.100 0.037 0.000 0.912 518 G HN 0.016 nan 8.290 nan 0.000 0.574 519 L N 1.324 122.553 121.223 0.010 0.000 2.334 519 L HA 0.519 4.859 4.340 0.000 0.000 0.286 519 L C 0.990 177.857 176.870 -0.007 0.000 1.108 519 L CA -0.452 54.387 54.840 -0.002 0.000 0.875 519 L CB -0.301 41.755 42.059 -0.004 0.000 1.246 519 L HN 0.413 nan 8.230 nan 0.000 0.439 520 I N 7.693 128.245 120.570 -0.030 0.000 2.742 520 I HA 0.047 4.217 4.170 0.000 0.000 0.287 520 I C -1.540 174.571 176.117 -0.008 0.000 1.186 520 I CA -1.296 59.972 61.300 -0.054 0.000 1.417 520 I CB 0.016 37.891 38.000 -0.209 0.000 1.377 520 I HN 0.475 nan 8.210 nan 0.000 0.556 521 P HA -0.059 nan 4.420 nan 0.000 0.268 521 P C 0.242 177.581 177.300 0.066 0.000 1.205 521 P CA 0.148 63.270 63.100 0.037 0.000 0.771 521 P CB 1.052 32.775 31.700 0.039 0.000 0.858 522 S N 0.339 116.082 115.700 0.071 0.000 3.711 522 S HA -0.084 4.386 4.470 0.000 0.000 0.374 522 S C -0.432 174.262 174.600 0.158 0.000 0.969 522 S CA 0.406 58.671 58.200 0.108 0.000 1.198 522 S CB -1.425 61.850 63.200 0.126 0.000 0.903 522 S HN 0.339 nan 8.310 nan 0.000 0.493 523 V N 2.049 122.033 119.914 0.116 0.000 2.623 523 V HA 0.427 4.547 4.120 0.000 0.000 0.304 523 V C 1.052 177.167 176.094 0.035 0.000 1.054 523 V CA -0.147 62.242 62.300 0.149 0.000 0.882 523 V CB 1.975 33.888 31.823 0.150 0.000 1.002 523 V HN 0.494 nan 8.190 nan 0.000 0.424 524 T N 2.573 117.082 114.554 -0.075 0.000 2.953 524 T HA 0.211 4.562 4.350 0.000 0.000 0.247 524 T C 0.314 174.923 174.700 -0.151 0.000 1.029 524 T CA 0.718 62.708 62.100 -0.184 0.000 1.144 524 T CB 0.234 68.879 68.868 -0.371 0.000 0.870 524 T HN 0.669 nan 8.240 nan 0.000 0.446 525 E N 0.310 120.415 120.200 -0.160 0.000 2.343 525 E HA 0.499 4.850 4.350 0.000 0.000 0.278 525 E C -1.692 175.040 176.600 0.219 0.000 0.910 525 E CA -0.486 55.948 56.400 0.056 0.000 0.757 525 E CB 3.090 32.875 29.700 0.142 0.000 1.218 525 E HN -0.080 nan 8.360 nan 0.000 0.435 526 V N 2.296 122.378 119.914 0.279 0.000 2.427 526 V HA 0.390 4.510 4.120 0.000 0.000 0.286 526 V C -0.650 175.674 176.094 0.384 0.000 1.034 526 V CA -0.439 62.081 62.300 0.366 0.000 0.893 526 V CB 1.086 33.101 31.823 0.321 0.000 0.982 526 V HN 0.673 nan 8.190 nan 0.000 0.452 527 H N 2.856 122.101 119.070 0.291 0.000 3.042 527 H HA 0.579 5.135 4.556 0.001 0.000 0.345 527 H C -0.502 174.998 175.328 0.285 0.000 1.052 527 H CA 0.730 56.940 56.048 0.270 0.000 1.311 527 H CB 1.465 31.392 29.762 0.275 0.000 1.810 527 H HN 0.918 nan 8.280 nan 0.000 0.505 528 S N 3.054 118.707 115.700 -0.077 0.000 3.656 528 S HA -0.118 4.352 4.470 0.000 0.000 0.764 528 S C -1.573 173.197 174.600 0.283 0.000 1.134 528 S CA 0.201 58.445 58.200 0.073 0.000 1.138 528 S CB -0.644 62.648 63.200 0.152 0.000 0.596 528 S HN 0.803 nan 8.310 nan 0.000 0.459 529 F N 1.813 121.829 119.950 0.111 0.000 2.605 529 F HA 0.643 5.170 4.527 0.000 0.000 0.320 529 F C -0.600 175.275 175.800 0.125 0.000 1.159 529 F CA 0.456 58.520 58.000 0.106 0.000 0.999 529 F CB 1.340 40.342 39.000 0.003 0.000 1.258 529 F HN 0.978 nan 8.300 nan 0.000 0.464 530 A N 3.970 126.701 122.820 -0.148 0.000 2.332 530 A HA 0.609 4.929 4.320 0.000 0.000 0.300 530 A C -0.687 176.835 177.584 -0.102 0.000 1.153 530 A CA -0.624 51.430 52.037 0.028 0.000 0.764 530 A CB 0.831 19.903 19.000 0.120 0.000 1.174 530 A HN 0.642 nan 8.150 nan 0.000 0.467 531 T N 3.658 118.287 114.554 0.125 0.000 2.853 531 T HA 0.186 4.536 4.350 0.000 0.000 0.298 531 T C 1.278 176.032 174.700 0.090 0.000 0.978 531 T CA -0.028 62.179 62.100 0.178 0.000 1.152 531 T CB 0.276 69.323 68.868 0.300 0.000 0.914 531 T HN 0.453 nan 8.240 nan 0.000 0.539 532 I N 2.010 122.580 120.570 -0.001 0.000 2.685 532 I HA 0.162 4.332 4.170 0.000 0.000 0.251 532 I C 1.030 177.140 176.117 -0.012 0.000 1.102 532 I CA 0.912 62.045 61.300 -0.278 0.000 1.442 532 I CB -0.474 37.309 38.000 -0.362 0.000 1.194 532 I HN 0.743 nan 8.210 nan 0.000 0.448 533 D N -2.204 118.250 120.400 0.091 0.000 3.309 533 D HA 0.027 4.667 4.640 0.000 0.000 0.335 533 D C 0.386 176.774 176.300 0.147 0.000 1.393 533 D CA -0.522 53.556 54.000 0.130 0.000 0.963 533 D CB 0.104 40.969 40.800 0.108 0.000 1.431 533 D HN -0.257 nan 8.370 nan 0.000 0.583 534 N N -1.293 117.473 118.700 0.109 0.000 2.453 534 N HA -0.013 4.727 4.740 0.000 0.000 0.183 534 N C 0.457 176.012 175.510 0.075 0.000 1.041 534 N CA 1.074 54.168 53.050 0.073 0.000 0.900 534 N CB -0.042 38.454 38.487 0.016 0.000 0.961 534 N HN 0.290 nan 8.380 nan 0.000 0.443 535 N N -1.486 117.289 118.700 0.125 0.000 2.397 535 N HA 0.216 4.956 4.740 0.000 0.000 0.190 535 N C 0.497 176.140 175.510 0.221 0.000 1.099 535 N CA 0.630 53.782 53.050 0.170 0.000 0.876 535 N CB 1.123 39.666 38.487 0.093 0.000 1.143 535 N HN 0.187 nan 8.380 nan 0.000 0.468 536 G N -0.185 108.696 108.800 0.136 0.000 2.619 536 G HA2 0.561 4.521 3.960 0.000 0.000 0.305 536 G HA3 0.561 4.521 3.960 0.000 0.000 0.305 536 G C -1.875 173.056 174.900 0.052 0.000 1.330 536 G CA -0.678 44.383 45.100 -0.065 0.000 0.789 536 G HN 0.071 nan 8.290 nan 0.000 0.487 537 F N -2.380 117.575 119.950 0.009 0.000 2.741 537 F HA 0.912 5.439 4.527 0.000 0.000 0.313 537 F C -0.319 175.499 175.800 0.030 0.000 1.153 537 F CA -1.430 56.480 58.000 -0.151 0.000 0.931 537 F CB 1.220 39.872 39.000 -0.580 0.000 1.335 537 F HN 1.023 nan 8.300 nan 0.000 0.460 538 A N 1.641 124.558 122.820 0.162 0.000 2.356 538 A HA 0.912 5.232 4.320 0.000 0.000 0.323 538 A C -1.220 176.482 177.584 0.197 0.000 1.119 538 A CA -0.916 51.282 52.037 0.268 0.000 0.790 538 A CB 1.592 20.697 19.000 0.175 0.000 1.273 538 A HN 0.822 nan 8.150 nan 0.000 0.452 539 M N 1.482 121.308 119.600 0.376 0.000 2.326 539 M HA 0.450 4.930 4.480 0.000 0.000 0.306 539 M C 0.525 177.056 176.300 0.385 0.000 1.054 539 M CA -0.405 55.114 55.300 0.365 0.000 0.922 539 M CB 2.294 35.181 32.600 0.479 0.000 1.632 539 M HN 0.903 nan 8.290 nan 0.000 0.436 540 G N 1.772 110.782 108.800 0.350 0.000 2.606 540 G HA2 0.463 4.424 3.960 0.000 0.000 0.252 540 G HA3 0.463 4.424 3.960 0.000 0.000 0.252 540 G C -1.440 173.695 174.900 0.391 0.000 1.206 540 G CA 0.039 45.339 45.100 0.332 0.000 0.861 540 G HN 0.783 nan 8.290 nan 0.000 0.561 541 Y N -0.899 119.458 120.300 0.095 0.000 2.656 541 Y HA 0.693 5.243 4.550 -0.000 0.000 0.334 541 Y C -0.830 175.140 175.900 0.117 0.000 1.179 541 Y CA -1.539 56.617 58.100 0.093 0.000 1.050 541 Y CB 0.967 39.408 38.460 -0.032 0.000 1.308 541 Y HN 1.041 nan 8.280 nan 0.000 0.456 542 H N -0.014 118.987 119.070 -0.116 0.000 2.985 542 H HA 0.661 5.217 4.556 -0.000 0.000 0.360 542 H C -1.754 173.635 175.328 0.102 0.000 1.221 542 H CA -1.015 54.899 56.048 -0.223 0.000 1.121 542 H CB 2.284 31.962 29.762 -0.139 0.000 1.854 542 H HN 0.748 nan 8.280 nan 0.000 0.551 543 Q N 1.446 121.267 119.800 0.036 0.000 2.310 543 Q HA 0.393 4.734 4.340 0.000 0.000 0.270 543 Q C -0.714 175.371 176.000 0.142 0.000 1.025 543 Q CA -0.298 55.528 55.803 0.038 0.000 0.772 543 Q CB 1.772 30.598 28.738 0.148 0.000 1.253 543 Q HN 1.130 nan 8.270 nan 0.000 0.450 544 G N 3.212 112.096 108.800 0.141 0.000 3.829 544 G HA2 0.074 4.035 3.960 0.000 0.000 0.279 544 G HA3 0.074 4.035 3.960 0.000 0.000 0.279 544 G C 0.264 175.224 174.900 0.100 0.000 1.008 544 G CA -0.094 45.116 45.100 0.183 0.000 0.840 544 G HN 0.549 nan 8.290 nan 0.000 0.474 545 D N 0.380 120.818 120.400 0.064 0.000 2.149 545 D HA 0.050 4.690 4.640 0.000 0.000 0.206 545 D C 1.334 177.655 176.300 0.036 0.000 0.967 545 D CA 1.246 55.271 54.000 0.041 0.000 0.848 545 D CB 0.574 41.387 40.800 0.021 0.000 0.998 545 D HN 0.322 nan 8.370 nan 0.000 0.474 546 V N -2.138 117.799 119.914 0.039 0.000 3.040 546 V HA 0.787 4.907 4.120 0.000 0.000 0.312 546 V C -0.482 175.636 176.094 0.039 0.000 1.115 546 V CA -1.550 60.770 62.300 0.034 0.000 0.998 546 V CB 1.578 33.417 31.823 0.027 0.000 1.042 546 V HN 0.066 nan 8.190 nan 0.000 0.433 547 A N 2.766 125.604 122.820 0.031 0.000 2.425 547 A HA 0.753 5.073 4.320 0.000 0.000 0.249 547 A C -1.590 176.015 177.584 0.035 0.000 1.084 547 A CA -0.865 51.190 52.037 0.030 0.000 0.781 547 A CB -0.569 18.444 19.000 0.022 0.000 1.019 547 A HN 0.915 nan 8.150 nan 0.000 0.490 548 P HA 0.353 nan 4.420 nan 0.000 0.286 548 P C -0.401 176.929 177.300 0.050 0.000 1.261 548 P CA -0.727 62.395 63.100 0.038 0.000 0.821 548 P CB 0.769 32.491 31.700 0.036 0.000 1.013 549 R N 1.834 122.360 120.500 0.044 0.000 2.590 549 R HA 0.154 4.494 4.340 0.000 0.000 0.274 549 R C -0.366 175.961 176.300 0.044 0.000 1.061 549 R CA 0.169 56.302 56.100 0.055 0.000 1.081 549 R CB 0.393 30.720 30.300 0.046 0.000 0.984 549 R HN 0.481 nan 8.270 nan 0.000 0.448 550 E N 2.201 122.431 120.200 0.051 0.000 2.312 550 E HA 0.488 4.838 4.350 0.000 0.000 0.267 550 E C -1.403 175.107 176.600 -0.150 0.000 0.894 550 E CA -1.164 55.233 56.400 -0.005 0.000 0.773 550 E CB 2.717 32.481 29.700 0.107 0.000 1.241 550 E HN 0.289 nan 8.360 nan 0.000 0.432 551 V N 0.793 120.537 119.914 -0.283 0.000 2.851 551 V HA 0.809 4.930 4.120 0.000 0.000 0.307 551 V C 0.068 175.856 176.094 -0.511 0.000 1.129 551 V CA -0.365 61.676 62.300 -0.430 0.000 0.932 551 V CB 1.712 33.387 31.823 -0.246 0.000 1.024 551 V HN 0.932 nan 8.190 nan 0.000 0.426 552 G N 3.186 111.575 108.800 -0.685 0.000 2.393 552 G HA2 0.661 4.622 3.960 0.000 0.000 0.264 552 G HA3 0.661 4.622 3.960 0.000 0.000 0.264 552 G C -1.950 172.900 174.900 -0.084 0.000 1.221 552 G CA 0.052 44.975 45.100 -0.295 0.000 0.912 552 G HN 1.307 nan 8.290 nan 0.000 0.483 553 L N -2.942 118.388 121.223 0.178 0.000 2.415 553 L HA 0.943 5.283 4.340 0.000 0.000 0.256 553 L C -1.548 175.348 176.870 0.044 0.000 1.010 553 L CA -1.111 53.852 54.840 0.204 0.000 0.826 553 L CB 1.760 43.977 42.059 0.263 0.000 1.405 553 L HN 0.365 nan 8.230 nan 0.000 0.410 554 F N 1.425 121.558 119.950 0.305 0.000 2.426 554 F HA 0.490 5.017 4.527 -0.000 0.000 0.348 554 F C -0.628 175.279 175.800 0.180 0.000 1.124 554 F CA -0.417 57.657 58.000 0.123 0.000 1.008 554 F CB 1.451 40.396 39.000 -0.092 0.000 1.139 554 F HN 0.460 nan 8.300 nan 0.000 0.452 555 Y N 4.497 124.867 120.300 0.117 0.000 2.341 555 Y HA 0.474 5.024 4.550 0.000 0.000 0.340 555 Y C -1.397 174.406 175.900 -0.162 0.000 0.997 555 Y CA -2.181 55.926 58.100 0.012 0.000 1.149 555 Y CB 0.365 38.814 38.460 -0.019 0.000 1.171 555 Y HN 0.438 nan 8.280 nan 0.000 0.494 556 F N 9.386 129.078 119.950 -0.430 0.000 2.334 556 F HA 0.323 4.850 4.527 0.000 0.000 0.365 556 F C -1.440 173.795 175.800 -0.941 0.000 1.124 556 F CA -1.942 55.650 58.000 -0.681 0.000 1.166 556 F CB 0.930 39.368 39.000 -0.936 0.000 1.355 556 F HN 0.470 nan 8.300 nan 0.000 0.532 557 P HA -0.155 nan 4.420 nan 0.000 0.217 557 P C 0.146 177.277 177.300 -0.282 0.000 1.150 557 P CA 1.373 63.993 63.100 -0.799 0.000 0.832 557 P CB 0.436 31.766 31.700 -0.617 0.000 0.787 558 D N -1.175 119.113 120.400 -0.186 0.000 2.364 558 D HA 0.379 5.020 4.640 0.000 0.000 0.251 558 D C 0.626 176.947 176.300 0.036 0.000 1.282 558 D CA -0.658 53.336 54.000 -0.010 0.000 0.927 558 D CB 0.461 41.276 40.800 0.025 0.000 1.267 558 D HN -0.141 nan 8.370 nan 0.000 0.531 559 A N 2.263 125.077 122.820 -0.010 0.000 2.167 559 A HA 0.044 4.365 4.320 0.000 0.000 0.214 559 A C 1.324 178.968 177.584 0.099 0.000 1.151 559 A CA 0.568 52.555 52.037 -0.084 0.000 0.735 559 A CB -0.412 18.254 19.000 -0.556 0.000 0.802 559 A HN 0.465 nan 8.150 nan 0.000 0.467 560 F N 0.058 120.163 119.950 0.258 0.000 2.147 560 F HA -0.004 4.523 4.527 0.001 0.000 0.291 560 F C 2.132 178.052 175.800 0.199 0.000 1.093 560 F CA 1.770 60.006 58.000 0.393 0.000 1.263 560 F CB -0.513 38.715 39.000 0.380 0.000 1.036 560 F HN 0.210 nan 8.300 nan 0.000 0.481 561 N N -1.269 117.613 118.700 0.302 0.000 2.333 561 N HA -0.025 4.715 4.740 0.000 0.000 0.178 561 N C -0.044 175.508 175.510 0.070 0.000 1.018 561 N CA 0.958 54.095 53.050 0.145 0.000 0.882 561 N CB 0.103 38.661 38.487 0.119 0.000 0.984 561 N HN -0.061 nan 8.380 nan 0.000 0.434 562 S N 0.429 116.176 115.700 0.079 0.000 2.235 562 S HA 0.199 4.669 4.470 0.000 0.000 0.152 562 S C -2.162 172.491 174.600 0.088 0.000 1.649 562 S CA -0.860 57.368 58.200 0.047 0.000 1.277 562 S CB 1.202 64.407 63.200 0.009 0.000 1.299 562 S HN 0.176 nan 8.310 nan 0.000 0.388 563 P HA -0.063 nan 4.420 nan 0.000 0.226 563 P C 1.277 178.765 177.300 0.313 0.000 1.153 563 P CA 0.839 64.061 63.100 0.203 0.000 0.777 563 P CB 0.011 31.817 31.700 0.177 0.000 0.794 564 S N -1.830 113.990 115.700 0.199 0.000 2.593 564 S HA 0.029 4.500 4.470 0.000 0.000 0.217 564 S C 0.742 175.400 174.600 0.097 0.000 0.966 564 S CA -0.352 57.968 58.200 0.200 0.000 0.914 564 S CB -1.047 62.209 63.200 0.093 0.000 0.776 564 S HN 0.014 nan 8.310 nan 0.000 0.523 565 N N 1.212 119.929 118.700 0.029 0.000 2.444 565 N HA 0.489 5.229 4.740 0.000 0.000 0.262 565 N C -1.016 174.295 175.510 -0.332 0.000 0.974 565 N CA -0.769 52.155 53.050 -0.211 0.000 0.933 565 N CB 0.734 39.121 38.487 -0.166 0.000 1.137 565 N HN 0.486 nan 8.380 nan 0.000 0.498 566 Y N 0.454 120.444 120.300 -0.517 0.000 2.615 566 Y HA 0.746 5.296 4.550 0.000 0.000 0.341 566 Y C -1.445 174.225 175.900 -0.383 0.000 1.089 566 Y CA -1.413 56.227 58.100 -0.766 0.000 1.049 566 Y CB 0.895 38.482 38.460 -1.455 0.000 1.296 566 Y HN 0.107 nan 8.280 nan 0.000 0.470 567 V N 2.557 122.437 119.914 -0.056 0.000 2.577 567 V HA 0.520 4.640 4.120 0.000 0.000 0.303 567 V C -0.790 175.466 176.094 0.270 0.000 1.042 567 V CA -0.942 61.393 62.300 0.058 0.000 0.872 567 V CB 1.620 33.456 31.823 0.022 0.000 0.998 567 V HN 0.926 nan 8.190 nan 0.000 0.423 568 R N 6.411 127.091 120.500 0.301 0.000 2.298 568 R HA 0.488 4.828 4.340 0.000 0.000 0.310 568 R C -0.726 175.695 176.300 0.200 0.000 1.068 568 R CA -0.456 55.819 56.100 0.292 0.000 0.957 568 R CB 0.480 30.960 30.300 0.299 0.000 1.003 568 R HN 0.654 nan 8.270 nan 0.000 0.454 569 R N 4.093 124.717 120.500 0.207 0.000 2.513 569 R HA 0.233 4.573 4.340 0.000 0.000 0.301 569 R C -0.789 175.674 176.300 0.273 0.000 0.968 569 R CA -0.807 55.434 56.100 0.236 0.000 0.872 569 R CB 2.314 32.757 30.300 0.238 0.000 1.177 569 R HN 0.688 nan 8.270 nan 0.000 0.444 570 Q N 2.043 121.993 119.800 0.250 0.000 2.266 570 Q HA 0.469 4.809 4.340 0.000 0.000 0.261 570 Q C 0.561 176.623 176.000 0.104 0.000 0.985 570 Q CA -0.816 55.067 55.803 0.134 0.000 0.873 570 Q CB 2.419 31.216 28.738 0.099 0.000 1.306 570 Q HN 0.582 nan 8.270 nan 0.000 0.447 571 I N -1.468 118.936 120.570 -0.278 0.000 3.004 571 I HA 0.340 4.510 4.170 0.000 0.000 0.287 571 I C -2.236 173.697 176.117 -0.306 0.000 1.144 571 I CA -2.245 58.592 61.300 -0.772 0.000 1.353 571 I CB 0.032 37.346 38.000 -1.143 0.000 1.417 571 I HN 0.322 nan 8.210 nan 0.000 0.602 572 P HA 0.008 nan 4.420 nan 0.000 0.265 572 P C 0.602 177.947 177.300 0.074 0.000 1.193 572 P CA 0.076 63.219 63.100 0.073 0.000 0.765 572 P CB 0.773 32.616 31.700 0.238 0.000 0.823 573 S N 2.756 118.489 115.700 0.056 0.000 2.402 573 S HA -0.282 4.188 4.470 0.000 0.000 0.233 573 S C 1.525 176.114 174.600 -0.018 0.000 1.030 573 S CA 1.619 59.830 58.200 0.018 0.000 1.003 573 S CB -1.026 62.185 63.200 0.018 0.000 0.813 573 S HN 0.700 nan 8.310 nan 0.000 0.477 574 E N 0.110 120.276 120.200 -0.057 0.000 2.268 574 E HA -0.153 4.198 4.350 0.000 0.000 0.195 574 E C 1.127 177.528 176.600 -0.331 0.000 0.995 574 E CA 0.905 57.166 56.400 -0.232 0.000 0.836 574 E CB -0.488 28.994 29.700 -0.362 0.000 0.763 574 E HN 0.760 nan 8.360 nan 0.000 0.491 575 Y N 0.978 121.266 120.300 -0.020 0.000 2.462 575 Y HA 0.228 4.778 4.550 0.001 0.000 0.261 575 Y C 1.626 177.492 175.900 -0.056 0.000 1.146 575 Y CA 0.087 58.181 58.100 -0.009 0.000 1.283 575 Y CB 0.502 39.009 38.460 0.079 0.000 1.090 575 Y HN 0.052 nan 8.280 nan 0.000 0.526 576 E N 0.489 120.707 120.200 0.029 0.000 2.112 576 E HA -0.037 4.314 4.350 0.000 0.000 0.190 576 E C -1.712 174.878 176.600 -0.016 0.000 0.979 576 E CA -0.128 56.261 56.400 -0.018 0.000 0.814 576 E CB -1.081 28.599 29.700 -0.033 0.000 0.762 576 E HN 0.229 nan 8.360 nan 0.000 0.460 577 P HA -0.078 nan 4.420 nan 0.000 0.264 577 P C -0.729 176.559 177.300 -0.020 0.000 1.183 577 P CA 0.787 63.874 63.100 -0.022 0.000 0.763 577 P CB 0.247 31.925 31.700 -0.037 0.000 0.807 578 D N -1.124 119.264 120.400 -0.020 0.000 2.837 578 D HA -0.197 4.443 4.640 0.000 0.000 0.230 578 D C -0.027 176.254 176.300 -0.032 0.000 1.152 578 D CA 1.356 55.341 54.000 -0.025 0.000 0.736 578 D CB -1.379 39.401 40.800 -0.034 0.000 1.084 578 D HN 0.516 nan 8.370 nan 0.000 0.429 579 A N -0.089 122.704 122.820 -0.045 0.000 2.413 579 A HA 0.815 5.135 4.320 0.000 0.000 0.307 579 A C 0.238 177.720 177.584 -0.171 0.000 1.087 579 A CA 0.328 52.323 52.037 -0.070 0.000 0.750 579 A CB 2.307 21.289 19.000 -0.029 0.000 1.296 579 A HN 0.421 nan 8.150 nan 0.000 0.423 580 S N 0.125 115.672 115.700 -0.255 0.000 2.727 580 S HA 0.609 5.079 4.470 0.000 0.000 0.278 580 S C -0.626 173.764 174.600 -0.350 0.000 1.186 580 S CA -0.284 57.572 58.200 -0.573 0.000 0.836 580 S CB 0.331 62.931 63.200 -1.001 0.000 1.186 580 S HN 0.981 nan 8.310 nan 0.000 0.499 581 E N 1.329 121.320 120.200 -0.349 0.000 2.197 581 E HA -0.123 4.227 4.350 0.000 0.000 0.184 581 E C -2.398 174.099 176.600 -0.171 0.000 1.439 581 E CA 0.603 56.769 56.400 -0.391 0.000 0.688 581 E CB -1.235 28.093 29.700 -0.619 0.000 1.090 581 E HN 0.512 nan 8.360 nan 0.000 0.341 582 P HA 0.018 nan 4.420 nan 0.000 0.271 582 P C -0.095 177.498 177.300 0.489 0.000 1.216 582 P CA -0.229 63.013 63.100 0.236 0.000 0.771 582 P CB 0.867 32.652 31.700 0.142 0.000 0.864 583 C N 4.985 124.584 119.300 0.499 0.000 2.330 583 C HA 0.630 5.090 4.460 0.000 0.000 0.344 583 C C 0.858 176.216 174.990 0.614 0.000 1.273 583 C CA -0.179 59.171 59.018 0.554 0.000 1.879 583 C CB -0.956 27.159 27.740 0.626 0.000 2.376 583 C HN 0.499 nan 8.230 nan 0.000 0.534 584 I N 1.054 121.907 120.570 0.472 0.000 2.582 584 I HA 0.867 5.037 4.170 0.000 0.000 0.292 584 I C -0.820 175.511 176.117 0.355 0.000 1.066 584 I CA -0.606 60.992 61.300 0.495 0.000 1.053 584 I CB 1.628 39.867 38.000 0.399 0.000 1.241 584 I HN 0.318 nan 8.210 nan 0.000 0.421 585 K N 3.611 124.292 120.400 0.468 0.000 2.512 585 K HA 0.571 4.892 4.320 0.000 0.000 0.263 585 K C -2.066 174.821 176.600 0.479 0.000 0.966 585 K CA -0.733 55.737 56.287 0.305 0.000 0.851 585 K CB 2.159 34.744 32.500 0.141 0.000 1.395 585 K HN 0.609 nan 8.250 nan 0.000 0.440 586 Y N 1.694 122.013 120.300 0.032 0.000 2.338 586 Y HA 0.539 5.089 4.550 0.000 0.000 0.333 586 Y C -1.779 174.043 175.900 -0.129 0.000 0.968 586 Y CA -0.600 57.541 58.100 0.069 0.000 1.123 586 Y CB 1.006 39.474 38.460 0.014 0.000 1.165 586 Y HN 0.561 nan 8.280 nan 0.000 0.452 587 Y N 4.184 124.458 120.300 -0.043 0.000 2.386 587 Y HA 0.252 4.802 4.550 0.000 0.000 0.334 587 Y C -0.360 175.427 175.900 -0.188 0.000 1.002 587 Y CA -1.482 56.605 58.100 -0.022 0.000 1.068 587 Y CB 1.588 40.164 38.460 0.193 0.000 1.203 587 Y HN 0.655 nan 8.280 nan 0.000 0.443 588 D N 2.990 123.359 120.400 -0.053 0.000 2.697 588 D HA -0.194 4.446 4.640 0.000 0.000 0.235 588 D C 1.246 177.435 176.300 -0.185 0.000 1.167 588 D CA 1.933 55.897 54.000 -0.060 0.000 0.656 588 D CB -0.881 39.946 40.800 0.045 0.000 1.025 588 D HN 1.172 nan 8.370 nan 0.000 0.419 589 G N -2.028 106.501 108.800 -0.452 0.000 2.184 589 G HA2 -0.307 3.653 3.960 0.000 0.000 0.264 589 G HA3 -0.307 3.653 3.960 0.000 0.000 0.264 589 G C 0.333 175.032 174.900 -0.334 0.000 0.975 589 G CA 0.371 45.266 45.100 -0.342 0.000 0.642 589 G HN 0.619 nan 8.290 nan 0.000 0.536 590 V N 0.937 120.579 119.914 -0.453 0.000 2.448 590 V HA 0.691 4.812 4.120 0.000 0.000 0.295 590 V C 0.020 175.961 176.094 -0.256 0.000 1.025 590 V CA -0.972 61.123 62.300 -0.341 0.000 0.859 590 V CB 1.763 33.348 31.823 -0.398 0.000 0.988 590 V HN 0.328 nan 8.190 nan 0.000 0.431 591 L N 6.286 127.458 121.223 -0.085 0.000 2.264 591 L HA 0.556 4.897 4.340 0.000 0.000 0.289 591 L C -0.979 175.960 176.870 0.116 0.000 1.044 591 L CA 0.030 54.982 54.840 0.188 0.000 0.807 591 L CB 0.517 42.681 42.059 0.176 0.000 1.192 591 L HN 0.527 nan 8.230 nan 0.000 0.425 592 Y N 5.310 125.931 120.300 0.535 0.000 2.387 592 Y HA 0.656 5.206 4.550 0.000 0.000 0.336 592 Y C -0.328 175.954 175.900 0.636 0.000 1.067 592 Y CA -0.563 57.885 58.100 0.581 0.000 1.114 592 Y CB 1.760 40.586 38.460 0.609 0.000 1.208 592 Y HN 0.497 nan 8.280 nan 0.000 0.458 593 L N 4.833 126.434 121.223 0.630 0.000 2.438 593 L HA 0.659 4.999 4.340 0.000 0.000 0.270 593 L C -1.701 175.371 176.870 0.337 0.000 0.972 593 L CA -0.386 54.736 54.840 0.471 0.000 0.831 593 L CB 1.221 43.434 42.059 0.256 0.000 1.273 593 L HN 0.616 nan 8.230 nan 0.000 0.405 594 I N 3.610 124.380 120.570 0.335 0.000 2.436 594 I HA 0.385 4.556 4.170 0.000 0.000 0.289 594 I C 0.245 176.512 176.117 0.251 0.000 1.010 594 I CA -0.555 60.901 61.300 0.260 0.000 1.098 594 I CB 2.262 40.381 38.000 0.198 0.000 1.266 594 I HN 0.590 nan 8.210 nan 0.000 0.434 595 T N 2.892 117.564 114.554 0.197 0.000 2.902 595 T HA 0.387 4.737 4.350 0.000 0.000 0.280 595 T C -0.011 174.737 174.700 0.081 0.000 0.992 595 T CA -0.814 61.355 62.100 0.114 0.000 1.015 595 T CB 1.972 70.888 68.868 0.079 0.000 1.044 595 T HN 0.564 nan 8.240 nan 0.000 0.520 596 R N 0.510 121.017 120.500 0.013 0.000 2.349 596 R HA 0.487 4.828 4.340 0.000 0.000 0.299 596 R C 0.381 176.660 176.300 -0.036 0.000 1.027 596 R CA -0.471 55.615 56.100 -0.022 0.000 0.958 596 R CB 0.654 30.927 30.300 -0.045 0.000 1.047 596 R HN 0.951 nan 8.270 nan 0.000 0.468 597 G N 0.914 109.690 108.800 -0.040 0.000 2.415 597 G HA2 0.117 4.078 3.960 0.000 0.000 0.269 597 G HA3 0.117 4.078 3.960 0.000 0.000 0.269 597 G C 0.933 175.839 174.900 0.009 0.000 1.209 597 G CA -0.346 44.737 45.100 -0.027 0.000 0.835 597 G HN 0.757 nan 8.290 nan 0.000 0.534 598 T N -1.495 113.064 114.554 0.008 0.000 3.057 598 T HA 0.198 4.548 4.350 0.000 0.000 0.254 598 T C 0.839 175.602 174.700 0.104 0.000 1.094 598 T CA 0.019 62.162 62.100 0.072 0.000 1.088 598 T CB -0.027 68.856 68.868 0.025 0.000 0.934 598 T HN 0.716 nan 8.240 nan 0.000 0.497 599 R N -0.704 119.764 120.500 -0.052 0.000 2.643 599 R HA 0.626 4.966 4.340 0.000 0.000 0.269 599 R C 0.748 176.714 176.300 -0.557 0.000 1.037 599 R CA -0.849 55.129 56.100 -0.203 0.000 0.894 599 R CB 0.917 31.159 30.300 -0.097 0.000 1.238 599 R HN -0.031 nan 8.270 nan 0.000 0.459 600 G N 0.447 108.620 108.800 -1.046 0.000 2.744 600 G HA2 -0.161 3.799 3.960 0.000 0.000 0.211 600 G HA3 -0.161 3.799 3.960 0.000 0.000 0.211 600 G C 0.395 174.983 174.900 -0.519 0.000 1.143 600 G CA 0.576 44.877 45.100 -1.330 0.000 0.788 600 G HN 0.793 nan 8.290 nan 0.000 0.534 601 D N -0.688 119.513 120.400 -0.332 0.000 2.363 601 D HA 0.096 4.736 4.640 0.000 0.000 0.214 601 D C 0.790 177.006 176.300 -0.140 0.000 1.093 601 D CA -0.239 53.650 54.000 -0.185 0.000 0.837 601 D CB 0.379 41.101 40.800 -0.129 0.000 0.948 601 D HN 0.139 nan 8.370 nan 0.000 0.507 602 R N 0.036 120.441 120.500 -0.159 0.000 2.795 602 R HA 0.368 4.708 4.340 0.000 0.000 0.275 602 R C -0.698 175.539 176.300 -0.105 0.000 0.981 602 R CA -1.312 54.722 56.100 -0.110 0.000 0.917 602 R CB 1.550 31.796 30.300 -0.089 0.000 1.202 602 R HN -0.063 nan 8.270 nan 0.000 0.469 603 L N 1.753 122.930 121.223 -0.076 0.000 2.615 603 L HA 0.008 4.348 4.340 0.000 0.000 0.284 603 L C 1.169 178.018 176.870 -0.034 0.000 1.237 603 L CA 1.150 55.957 54.840 -0.054 0.000 0.905 603 L CB -0.026 42.002 42.059 -0.051 0.000 1.149 603 L HN 0.897 nan 8.230 nan 0.000 0.499 604 G N 1.815 110.606 108.800 -0.014 0.000 3.099 604 G HA2 0.345 4.305 3.960 0.000 0.000 0.151 604 G HA3 0.345 4.305 3.960 0.000 0.000 0.151 604 G C -0.366 174.572 174.900 0.065 0.000 1.265 604 G CA -0.476 44.618 45.100 -0.009 0.000 0.981 604 G HN 0.546 nan 8.290 nan 0.000 0.601 605 S N 0.090 115.827 115.700 0.061 0.000 2.599 605 S HA 0.342 4.813 4.470 0.000 0.000 0.303 605 S C 0.418 175.226 174.600 0.347 0.000 1.267 605 S CA 0.501 58.800 58.200 0.166 0.000 1.055 605 S CB 0.163 63.401 63.200 0.063 0.000 0.790 605 S HN 0.991 nan 8.310 nan 0.000 0.500 606 S N 2.986 118.840 115.700 0.256 0.000 2.595 606 S HA 0.732 5.202 4.470 0.000 0.000 0.281 606 S C -0.983 173.511 174.600 -0.177 0.000 1.117 606 S CA -1.025 57.157 58.200 -0.030 0.000 0.873 606 S CB 1.345 64.503 63.200 -0.069 0.000 1.108 606 S HN 0.615 nan 8.310 nan 0.000 0.477 607 L N 2.257 123.097 121.223 -0.639 0.000 2.346 607 L HA 0.639 4.980 4.340 0.000 0.000 0.276 607 L C -1.284 175.184 176.870 -0.670 0.000 1.006 607 L CA -0.467 54.092 54.840 -0.468 0.000 0.817 607 L CB 1.416 43.126 42.059 -0.581 0.000 1.272 607 L HN 0.898 nan 8.230 nan 0.000 0.421 608 H N 3.857 123.001 119.070 0.123 0.000 2.851 608 H HA 0.526 5.082 4.556 0.000 0.000 0.372 608 H C -1.108 174.547 175.328 0.545 0.000 1.158 608 H CA -0.895 55.316 56.048 0.271 0.000 1.159 608 H CB 2.333 31.994 29.762 -0.168 0.000 1.757 608 H HN 0.574 nan 8.280 nan 0.000 0.546 609 R N 0.192 121.037 120.500 0.575 0.000 2.686 609 R HA 0.687 5.027 4.340 0.000 0.000 0.283 609 R C -1.100 175.220 176.300 0.034 0.000 0.978 609 R CA -0.990 55.194 56.100 0.140 0.000 0.897 609 R CB 2.143 32.233 30.300 -0.350 0.000 1.192 609 R HN 0.432 nan 8.270 nan 0.000 0.457 610 S N 0.569 116.122 115.700 -0.246 0.000 2.547 610 S HA 0.413 4.883 4.470 0.000 0.000 0.281 610 S C -0.289 174.104 174.600 -0.344 0.000 1.118 610 S CA -0.904 57.008 58.200 -0.479 0.000 0.947 610 S CB 1.504 64.045 63.200 -1.098 0.000 1.053 610 S HN 0.775 nan 8.310 nan 0.000 0.482 611 R N 1.397 121.726 120.500 -0.285 0.000 2.393 611 R HA 0.204 4.544 4.340 0.000 0.000 0.244 611 R C -0.518 175.688 176.300 -0.157 0.000 0.920 611 R CA 0.354 56.341 56.100 -0.189 0.000 1.076 611 R CB 0.167 30.372 30.300 -0.159 0.000 1.119 611 R HN 0.673 nan 8.270 nan 0.000 0.524 612 D N -0.817 119.447 120.400 -0.227 0.000 2.760 612 D HA 0.078 4.718 4.640 0.000 0.000 0.314 612 D C 0.045 176.186 176.300 -0.264 0.000 1.464 612 D CA -0.517 53.365 54.000 -0.197 0.000 0.797 612 D CB -0.431 40.267 40.800 -0.170 0.000 1.149 612 D HN 0.084 nan 8.370 nan 0.000 0.455 613 I N 0.320 120.704 120.570 -0.310 0.000 6.521 613 I HA -0.244 3.926 4.170 0.000 0.000 0.126 613 I C 1.238 177.136 176.117 -0.364 0.000 1.822 613 I CA 0.656 61.724 61.300 -0.388 0.000 2.063 613 I CB -1.642 35.987 38.000 -0.618 0.000 3.493 613 I HN 0.519 nan 8.210 nan 0.000 0.177 614 G N 0.165 108.592 108.800 -0.622 0.000 2.175 614 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 614 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 614 G C 0.547 175.190 174.900 -0.428 0.000 0.982 614 G CA 0.470 45.144 45.100 -0.711 0.000 0.641 614 G HN 0.577 nan 8.290 nan 0.000 0.527 615 Q N -0.081 119.503 119.800 -0.360 0.000 2.049 615 Q HA 0.116 4.456 4.340 0.000 0.000 0.198 615 Q C 1.499 177.389 176.000 -0.183 0.000 0.971 615 Q CA 1.593 57.295 55.803 -0.169 0.000 0.833 615 Q CB 0.059 28.728 28.738 -0.115 0.000 0.896 615 Q HN 0.777 nan 8.270 nan 0.000 0.434 616 T N -2.706 111.639 114.554 -0.350 0.000 2.916 616 T HA 0.567 4.918 4.350 0.000 0.000 0.292 616 T C -1.339 173.107 174.700 -0.423 0.000 1.055 616 T CA -0.866 61.102 62.100 -0.220 0.000 1.009 616 T CB 1.346 70.146 68.868 -0.114 0.000 1.118 616 T HN 0.183 nan 8.240 nan 0.000 0.497 617 W N -0.190 121.114 121.300 0.007 0.000 3.033 617 W HA 0.605 5.265 4.660 0.001 0.000 0.336 617 W C -0.344 176.185 176.519 0.018 0.000 1.173 617 W CA -0.789 56.567 57.345 0.017 0.000 1.185 617 W CB 1.788 31.288 29.460 0.066 0.000 1.425 617 W HN 0.706 nan 8.180 nan 0.000 0.536 618 E N 1.227 121.573 120.200 0.244 0.000 2.183 618 E HA 0.690 5.040 4.350 0.000 0.000 0.271 618 E C -0.823 175.975 176.600 0.330 0.000 0.919 618 E CA -0.503 55.985 56.400 0.147 0.000 0.781 618 E CB 1.962 31.551 29.700 -0.185 0.000 1.140 618 E HN 0.311 nan 8.360 nan 0.000 0.402 619 S N 2.366 118.250 115.700 0.306 0.000 2.595 619 S HA 0.675 5.145 4.470 0.000 0.000 0.281 619 S C -1.134 173.404 174.600 -0.103 0.000 1.117 619 S CA -0.905 57.277 58.200 -0.030 0.000 0.873 619 S CB 1.606 64.551 63.200 -0.424 0.000 1.108 619 S HN 0.511 nan 8.310 nan 0.000 0.477 620 L N 0.770 121.672 121.223 -0.534 0.000 2.505 620 L HA 0.746 5.086 4.340 0.000 0.000 0.259 620 L C -1.527 175.004 176.870 -0.565 0.000 0.952 620 L CA -0.766 53.767 54.840 -0.512 0.000 0.840 620 L CB 2.095 43.649 42.059 -0.842 0.000 1.358 620 L HN 0.719 nan 8.230 nan 0.000 0.409 621 R N 2.630 122.949 120.500 -0.301 0.000 2.294 621 R HA 0.558 4.898 4.340 0.000 0.000 0.319 621 R C -1.221 174.909 176.300 -0.284 0.000 0.984 621 R CA -0.345 55.651 56.100 -0.173 0.000 0.861 621 R CB 0.991 31.311 30.300 0.033 0.000 1.104 621 R HN 0.565 nan 8.270 nan 0.000 0.451 622 F N 5.918 125.817 119.950 -0.085 0.000 2.529 622 F HA 0.205 4.732 4.527 0.000 0.000 0.365 622 F C -1.331 174.443 175.800 -0.042 0.000 1.102 622 F CA -1.298 56.679 58.000 -0.039 0.000 1.271 622 F CB 0.380 39.422 39.000 0.070 0.000 1.120 622 F HN 0.434 nan 8.300 nan 0.000 0.579 623 P HA -0.001 nan 4.420 nan 0.000 0.269 623 P C -0.606 176.683 177.300 -0.018 0.000 1.215 623 P CA 0.198 63.241 63.100 -0.095 0.000 0.780 623 P CB 0.254 31.863 31.700 -0.151 0.000 0.898 624 H N 0.415 119.504 119.070 0.032 0.000 2.826 624 H HA -0.188 4.368 4.556 0.000 0.000 0.306 624 H C -0.269 175.016 175.328 -0.071 0.000 1.235 624 H CA 0.818 56.858 56.048 -0.013 0.000 1.150 624 H CB -2.589 27.178 29.762 0.007 0.000 1.409 624 H HN 0.742 nan 8.280 nan 0.000 0.420 625 N N -1.653 117.043 118.700 -0.006 0.000 2.727 625 N HA -0.169 4.571 4.740 0.000 0.000 0.251 625 N C -0.104 175.340 175.510 -0.109 0.000 1.040 625 N CA 0.333 53.339 53.050 -0.072 0.000 0.712 625 N CB -0.602 37.805 38.487 -0.134 0.000 0.912 625 N HN 0.123 nan 8.380 nan 0.000 0.545 626 V N 1.999 121.801 119.914 -0.187 0.000 2.557 626 V HA 0.009 4.129 4.120 0.000 0.000 0.301 626 V C 0.896 176.773 176.094 -0.363 0.000 1.026 626 V CA 0.565 62.558 62.300 -0.511 0.000 1.137 626 V CB 0.112 31.569 31.823 -0.609 0.000 0.917 626 V HN 0.440 nan 8.190 nan 0.000 0.484 627 H N 2.648 121.316 119.070 -0.671 0.000 2.990 627 H HA 0.417 4.973 4.556 0.001 0.000 0.343 627 H C 0.373 175.463 175.328 -0.398 0.000 1.270 627 H CA -0.400 55.358 56.048 -0.483 0.000 1.118 627 H CB 0.957 30.398 29.762 -0.536 0.000 1.861 627 H HN 0.735 nan 8.280 nan 0.000 0.544 628 H N -1.675 117.300 119.070 -0.160 0.000 3.906 628 H HA -0.180 4.376 4.556 0.000 0.000 0.179 628 H C -0.133 175.144 175.328 -0.085 0.000 0.941 628 H CA 1.445 57.424 56.048 -0.115 0.000 1.232 628 H CB -0.827 28.855 29.762 -0.133 0.000 1.037 628 H HN 0.817 nan 8.280 nan 0.000 0.362 629 T N 0.942 115.474 114.554 -0.036 0.000 2.887 629 T HA 0.435 4.785 4.350 0.000 0.000 0.288 629 T C 0.402 175.134 174.700 0.053 0.000 1.021 629 T CA -0.013 62.110 62.100 0.039 0.000 1.000 629 T CB 1.509 70.397 68.868 0.033 0.000 1.034 629 T HN 0.331 nan 8.240 nan 0.000 0.467 630 T N 2.310 116.961 114.554 0.162 0.000 2.849 630 T HA 0.563 4.914 4.350 0.000 0.000 0.284 630 T C 0.244 175.086 174.700 0.237 0.000 1.004 630 T CA -0.789 61.435 62.100 0.207 0.000 1.021 630 T CB 0.399 69.465 68.868 0.329 0.000 1.013 630 T HN 0.507 nan 8.240 nan 0.000 0.527 631 L N 1.945 123.334 121.223 0.277 0.000 2.637 631 L HA 0.332 4.672 4.340 0.000 0.000 0.241 631 L C -2.288 174.871 176.870 0.482 0.000 1.398 631 L CA -2.085 52.934 54.840 0.299 0.000 0.895 631 L CB 1.128 43.289 42.059 0.170 0.000 1.183 631 L HN 0.508 nan 8.230 nan 0.000 0.497 632 P HA 0.136 nan 4.420 nan 0.000 0.267 632 P C -0.849 176.808 177.300 0.596 0.000 1.200 632 P CA 0.343 63.755 63.100 0.520 0.000 0.772 632 P CB 0.755 32.728 31.700 0.454 0.000 0.855 633 F N -1.008 119.157 119.950 0.358 0.000 2.741 633 F HA 0.820 5.347 4.527 0.000 0.000 0.313 633 F C -1.867 174.134 175.800 0.334 0.000 1.153 633 F CA -1.351 56.849 58.000 0.333 0.000 0.931 633 F CB 0.830 39.983 39.000 0.255 0.000 1.335 633 F HN 0.515 nan 8.300 nan 0.000 0.460 634 A N 1.348 124.382 122.820 0.356 0.000 2.527 634 A HA 0.734 5.055 4.320 0.000 0.000 0.293 634 A C -1.752 175.921 177.584 0.148 0.000 1.117 634 A CA -1.097 51.087 52.037 0.246 0.000 0.723 634 A CB 2.018 21.178 19.000 0.266 0.000 1.313 634 A HN 0.917 nan 8.150 nan 0.000 0.411 635 K N 0.873 121.105 120.400 -0.280 0.000 2.213 635 K HA 0.619 4.939 4.320 0.000 0.000 0.270 635 K C -1.688 174.719 176.600 -0.323 0.000 1.002 635 K CA -0.282 55.688 56.287 -0.527 0.000 0.868 635 K CB 1.193 32.976 32.500 -1.195 0.000 1.093 635 K HN 0.404 nan 8.250 nan 0.000 0.454 636 V N 4.900 124.727 119.914 -0.146 0.000 2.409 636 V HA 0.389 4.509 4.120 0.000 0.000 0.290 636 V C 0.731 176.789 176.094 -0.061 0.000 1.017 636 V CA 0.073 62.337 62.300 -0.060 0.000 0.841 636 V CB 0.589 32.412 31.823 0.001 0.000 1.003 636 V HN 1.185 nan 8.190 nan 0.000 0.426 637 G N 4.996 113.766 108.800 -0.050 0.000 2.622 637 G HA2 -0.296 3.664 3.960 0.000 0.000 0.307 637 G HA3 -0.296 3.664 3.960 0.000 0.000 0.307 637 G C 0.490 175.361 174.900 -0.049 0.000 1.226 637 G CA 0.759 45.838 45.100 -0.035 0.000 0.997 637 G HN 0.608 nan 8.290 nan 0.000 0.551 638 D N 1.912 122.291 120.400 -0.034 0.000 2.355 638 D HA 0.191 4.831 4.640 0.000 0.000 0.218 638 D C 0.246 176.523 176.300 -0.038 0.000 1.004 638 D CA 0.696 54.681 54.000 -0.024 0.000 0.880 638 D CB 0.007 40.801 40.800 -0.009 0.000 0.911 638 D HN 0.329 nan 8.370 nan 0.000 0.528 639 D N 0.336 120.701 120.400 -0.059 0.000 2.168 639 D HA 0.214 4.854 4.640 0.000 0.000 0.246 639 D C -0.045 176.200 176.300 -0.091 0.000 1.050 639 D CA -0.583 53.377 54.000 -0.067 0.000 0.857 639 D CB 1.729 42.497 40.800 -0.054 0.000 1.169 639 D HN -0.180 nan 8.370 nan 0.000 0.453 640 L N 2.309 123.475 121.223 -0.096 0.000 2.331 640 L HA 0.357 4.697 4.340 0.000 0.000 0.278 640 L C 0.061 176.935 176.870 0.006 0.000 1.106 640 L CA -0.061 54.749 54.840 -0.051 0.000 0.824 640 L CB 0.506 42.487 42.059 -0.129 0.000 1.142 640 L HN 0.304 nan 8.230 nan 0.000 0.443 641 I N 5.515 126.155 120.570 0.117 0.000 2.354 641 I HA 0.377 4.547 4.170 0.000 0.000 0.286 641 I C 0.076 176.317 176.117 0.208 0.000 1.007 641 I CA -0.364 61.002 61.300 0.110 0.000 1.167 641 I CB 0.970 39.059 38.000 0.149 0.000 1.320 641 I HN 0.590 nan 8.210 nan 0.000 0.458 642 M N 4.196 123.834 119.600 0.063 0.000 2.598 642 M HA 0.681 5.161 4.480 0.000 0.000 0.317 642 M C -1.808 174.482 176.300 -0.016 0.000 1.179 642 M CA -0.436 54.985 55.300 0.201 0.000 0.936 642 M CB 2.441 35.166 32.600 0.208 0.000 1.713 642 M HN 0.197 nan 8.290 nan 0.000 0.460 643 F N -0.119 119.864 119.950 0.055 0.000 2.576 643 F HA 0.889 5.417 4.527 0.000 0.000 0.313 643 F C 0.303 175.954 175.800 -0.249 0.000 1.078 643 F CA -0.336 57.482 58.000 -0.304 0.000 0.921 643 F CB 2.679 40.959 39.000 -1.201 0.000 1.232 643 F HN 0.881 nan 8.300 nan 0.000 0.459 644 G N 0.164 108.954 108.800 -0.016 0.000 2.692 644 G HA2 0.605 4.565 3.960 0.000 0.000 0.291 644 G HA3 0.605 4.565 3.960 0.000 0.000 0.291 644 G C -1.903 173.135 174.900 0.229 0.000 1.423 644 G CA -0.876 44.321 45.100 0.162 0.000 0.843 644 G HN 0.544 nan 8.290 nan 0.000 0.486 645 S N 0.055 115.978 115.700 0.371 0.000 2.571 645 S HA 0.428 4.899 4.470 0.000 0.000 0.284 645 S C -0.241 174.591 174.600 0.387 0.000 1.128 645 S CA -0.858 57.540 58.200 0.331 0.000 0.970 645 S CB 1.675 65.066 63.200 0.317 0.000 1.039 645 S HN 0.889 nan 8.310 nan 0.000 0.485 646 E N 2.490 122.950 120.200 0.433 0.000 2.408 646 E HA 0.257 4.607 4.350 0.000 0.000 0.259 646 E C 0.270 176.974 176.600 0.173 0.000 1.110 646 E CA -0.663 55.926 56.400 0.316 0.000 0.929 646 E CB 0.605 30.519 29.700 0.357 0.000 0.971 646 E HN 0.309 nan 8.360 nan 0.000 0.438 647 R N 0.663 121.218 120.500 0.092 0.000 2.210 647 R HA 0.247 4.587 4.340 0.000 0.000 0.203 647 R C 0.173 176.402 176.300 -0.119 0.000 1.010 647 R CA 0.779 56.891 56.100 0.020 0.000 1.008 647 R CB -0.004 30.288 30.300 -0.013 0.000 0.923 647 R HN 0.623 nan 8.270 nan 0.000 0.469 648 A N 0.487 123.220 122.820 -0.146 0.000 2.594 648 A HA 0.361 4.681 4.320 0.000 0.000 0.291 648 A C -1.096 176.478 177.584 -0.016 0.000 1.105 648 A CA -0.700 51.200 52.037 -0.229 0.000 0.694 648 A CB 1.392 20.016 19.000 -0.626 0.000 1.291 648 A HN 0.094 nan 8.150 nan 0.000 0.410 649 E N 0.487 120.720 120.200 0.054 0.000 2.452 649 E HA 0.144 4.494 4.350 0.000 0.000 0.261 649 E C -0.094 176.577 176.600 0.117 0.000 0.987 649 E CA 0.868 57.339 56.400 0.119 0.000 0.926 649 E CB -0.156 29.640 29.700 0.159 0.000 0.934 649 E HN 0.651 nan 8.360 nan 0.000 0.452 650 N N 2.811 121.604 118.700 0.155 0.000 2.818 650 N HA -0.190 4.550 4.740 0.000 0.000 0.250 650 N C -0.224 175.368 175.510 0.138 0.000 1.108 650 N CA 0.710 53.852 53.050 0.153 0.000 0.745 650 N CB -0.503 38.059 38.487 0.124 0.000 1.104 650 N HN 0.602 nan 8.380 nan 0.000 0.557 651 E N -0.847 119.440 120.200 0.145 0.000 2.460 651 E HA -0.014 4.337 4.350 0.000 0.000 0.200 651 E C 1.226 177.861 176.600 0.059 0.000 1.011 651 E CA -0.293 56.178 56.400 0.119 0.000 0.912 651 E CB 0.104 29.867 29.700 0.105 0.000 0.953 651 E HN 0.440 nan 8.360 nan 0.000 0.494 652 W N 2.642 123.890 121.300 -0.088 0.000 2.358 652 W HA -0.120 4.540 4.660 0.001 0.000 0.303 652 W C 0.105 176.522 176.519 -0.170 0.000 1.208 652 W CA 1.215 58.419 57.345 -0.235 0.000 1.274 652 W CB 0.197 29.521 29.460 -0.225 0.000 1.138 652 W HN -0.057 nan 8.180 nan 0.000 0.515 653 E N 0.263 120.531 120.200 0.114 0.000 2.392 653 E HA 0.278 4.628 4.350 0.000 0.000 0.259 653 E C 0.164 176.778 176.600 0.024 0.000 1.108 653 E CA 0.053 56.480 56.400 0.044 0.000 0.916 653 E CB 0.585 30.307 29.700 0.038 0.000 0.989 653 E HN 0.067 nan 8.360 nan 0.000 0.432 654 A N 1.709 124.517 122.820 -0.020 0.000 2.548 654 A HA 0.400 4.720 4.320 0.000 0.000 0.247 654 A C 1.336 178.883 177.584 -0.063 0.000 1.067 654 A CA 0.652 52.657 52.037 -0.054 0.000 0.757 654 A CB -0.851 18.162 19.000 0.022 0.000 0.996 654 A HN 0.860 nan 8.150 nan 0.000 0.504 655 G N 1.061 109.789 108.800 -0.119 0.000 2.199 655 G HA2 0.119 4.079 3.960 0.000 0.000 0.254 655 G HA3 0.119 4.079 3.960 0.000 0.000 0.254 655 G C 0.604 175.475 174.900 -0.049 0.000 0.982 655 G CA 0.378 45.428 45.100 -0.082 0.000 0.632 655 G HN 2.252 nan 8.290 nan 0.000 0.529 656 A N 2.030 124.837 122.820 -0.022 0.000 2.451 656 A HA 0.614 4.935 4.320 0.000 0.000 0.266 656 A C -0.900 176.707 177.584 0.038 0.000 1.119 656 A CA -0.341 51.715 52.037 0.030 0.000 0.786 656 A CB 0.172 19.220 19.000 0.079 0.000 1.061 656 A HN 0.330 nan 8.150 nan 0.000 0.503 657 P HA 0.143 nan 4.420 nan 0.000 0.272 657 P C -0.748 176.607 177.300 0.091 0.000 1.223 657 P CA -0.351 62.782 63.100 0.054 0.000 0.784 657 P CB 0.529 32.257 31.700 0.046 0.000 0.923 658 D N 1.113 121.582 120.400 0.115 0.000 2.525 658 D HA 0.049 4.689 4.640 0.000 0.000 0.235 658 D C 0.011 176.350 176.300 0.066 0.000 1.137 658 D CA 1.116 55.179 54.000 0.104 0.000 0.868 658 D CB -0.040 40.812 40.800 0.087 0.000 1.180 658 D HN 0.264 nan 8.370 nan 0.000 0.465 659 D N 1.884 122.299 120.400 0.025 0.000 2.378 659 D HA 0.186 4.827 4.640 0.000 0.000 0.265 659 D C -0.393 175.906 176.300 -0.002 0.000 1.229 659 D CA -0.586 53.441 54.000 0.044 0.000 0.914 659 D CB 0.295 41.131 40.800 0.060 0.000 1.140 659 D HN 0.054 nan 8.370 nan 0.000 0.516 660 R N 1.170 121.700 120.500 0.049 0.000 2.944 660 R HA 0.394 4.735 4.340 0.000 0.000 0.233 660 R C 0.234 176.690 176.300 0.260 0.000 1.346 660 R CA -0.777 55.334 56.100 0.017 0.000 1.082 660 R CB -0.126 30.025 30.300 -0.248 0.000 1.434 660 R HN 0.460 nan 8.270 nan 0.000 0.510 661 Y N -1.205 119.287 120.300 0.320 0.000 4.409 661 Y HA -0.358 4.192 4.550 0.000 0.000 0.228 661 Y C 0.144 176.136 175.900 0.153 0.000 1.108 661 Y CA 1.439 59.656 58.100 0.195 0.000 1.955 661 Y CB -1.598 36.938 38.460 0.127 0.000 1.615 661 Y HN 0.515 nan 8.280 nan 0.000 0.665 662 K N -0.751 119.832 120.400 0.305 0.000 2.546 662 K HA 0.891 5.212 4.320 0.000 0.000 0.264 662 K C -0.657 176.046 176.600 0.172 0.000 0.937 662 K CA -0.611 55.793 56.287 0.195 0.000 0.833 662 K CB 1.882 34.489 32.500 0.178 0.000 1.378 662 K HN 0.117 nan 8.250 nan 0.000 0.432 663 A N 1.494 124.355 122.820 0.069 0.000 2.498 663 A HA 0.485 4.805 4.320 0.000 0.000 0.239 663 A C -0.019 177.634 177.584 0.114 0.000 1.068 663 A CA 0.516 52.572 52.037 0.032 0.000 0.766 663 A CB -0.239 18.785 19.000 0.041 0.000 1.003 663 A HN 0.999 nan 8.150 nan 0.000 0.497 664 S N 0.622 116.369 115.700 0.077 0.000 2.643 664 S HA 0.612 5.082 4.470 0.000 0.000 0.270 664 S C -1.308 173.231 174.600 -0.100 0.000 1.166 664 S CA -0.621 57.643 58.200 0.106 0.000 0.815 664 S CB 0.595 63.918 63.200 0.204 0.000 1.139 664 S HN 0.560 nan 8.310 nan 0.000 0.472 665 Y N 1.855 122.214 120.300 0.099 0.000 2.915 665 Y HA 0.437 4.988 4.550 0.000 0.000 0.350 665 Y C -2.437 173.488 175.900 0.042 0.000 1.061 665 Y CA -1.991 56.139 58.100 0.049 0.000 1.179 665 Y CB 1.049 39.528 38.460 0.032 0.000 1.180 665 Y HN 0.429 nan 8.280 nan 0.000 0.605 666 P HA 0.056 nan 4.420 nan 0.000 0.268 666 P C -0.378 176.954 177.300 0.053 0.000 1.205 666 P CA 0.006 63.166 63.100 0.100 0.000 0.771 666 P CB 0.967 32.719 31.700 0.086 0.000 0.858 667 R N 1.141 121.639 120.500 -0.004 0.000 2.410 667 R HA 0.482 4.822 4.340 0.000 0.000 0.288 667 R C 0.316 176.380 176.300 -0.393 0.000 1.051 667 R CA -0.255 55.682 56.100 -0.272 0.000 1.021 667 R CB 0.584 30.593 30.300 -0.485 0.000 1.032 667 R HN 0.393 nan 8.270 nan 0.000 0.481 668 T N 3.136 117.394 114.554 -0.493 0.000 2.823 668 T HA 0.523 4.873 4.350 0.000 0.000 0.279 668 T C -0.914 173.364 174.700 -0.704 0.000 0.998 668 T CA -0.344 61.520 62.100 -0.393 0.000 0.994 668 T CB 0.523 69.300 68.868 -0.150 0.000 0.960 668 T HN 0.231 nan 8.240 nan 0.000 0.448 669 F N 2.193 121.928 119.950 -0.358 0.000 2.561 669 F HA 0.669 5.196 4.527 0.000 0.000 0.321 669 F C -0.321 175.390 175.800 -0.148 0.000 1.065 669 F CA -1.167 56.629 58.000 -0.341 0.000 0.934 669 F CB 1.507 40.102 39.000 -0.675 0.000 1.215 669 F HN 0.605 nan 8.300 nan 0.000 0.471 670 Y N 0.592 120.831 120.300 -0.101 0.000 2.605 670 Y HA 0.944 5.494 4.550 0.000 0.000 0.343 670 Y C -1.447 174.322 175.900 -0.219 0.000 1.036 670 Y CA -1.837 56.043 58.100 -0.366 0.000 1.065 670 Y CB 1.446 39.267 38.460 -1.065 0.000 1.288 670 Y HN 0.824 nan 8.280 nan 0.000 0.481 671 A N 2.524 124.941 122.820 -0.672 0.000 2.594 671 A HA 0.816 5.136 4.320 0.000 0.000 0.295 671 A C -1.521 175.721 177.584 -0.570 0.000 1.071 671 A CA -1.261 50.227 52.037 -0.915 0.000 0.685 671 A CB 1.668 19.814 19.000 -1.424 0.000 1.285 671 A HN 0.842 nan 8.150 nan 0.000 0.405 672 R N 0.044 120.251 120.500 -0.489 0.000 2.460 672 R HA 0.686 5.026 4.340 0.000 0.000 0.303 672 R C -1.329 174.806 176.300 -0.275 0.000 0.968 672 R CA -0.492 55.444 56.100 -0.273 0.000 0.889 672 R CB 1.945 32.135 30.300 -0.183 0.000 1.123 672 R HN 0.629 nan 8.270 nan 0.000 0.455 673 L N 2.528 123.632 121.223 -0.197 0.000 2.376 673 L HA 0.382 4.723 4.340 0.000 0.000 0.275 673 L C -0.918 175.882 176.870 -0.117 0.000 0.987 673 L CA -0.697 54.032 54.840 -0.184 0.000 0.828 673 L CB 1.724 43.663 42.059 -0.200 0.000 1.249 673 L HN 0.575 nan 8.230 nan 0.000 0.409 674 N N 3.609 122.253 118.700 -0.092 0.000 2.430 674 N HA 0.047 4.787 4.740 0.000 0.000 0.265 674 N C 0.983 176.523 175.510 0.050 0.000 1.100 674 N CA 0.048 53.080 53.050 -0.031 0.000 0.961 674 N CB 1.881 40.348 38.487 -0.033 0.000 1.075 674 N HN 0.662 nan 8.380 nan 0.000 0.478 675 V N 2.040 122.021 119.914 0.111 0.000 2.626 675 V HA -0.113 4.007 4.120 0.000 0.000 0.252 675 V C 1.458 177.716 176.094 0.273 0.000 1.067 675 V CA 1.455 63.939 62.300 0.307 0.000 1.081 675 V CB -0.679 31.325 31.823 0.302 0.000 0.686 675 V HN 0.583 nan 8.190 nan 0.000 0.468 676 N N 1.590 120.373 118.700 0.137 0.000 2.142 676 N HA -0.119 4.622 4.740 0.000 0.000 0.186 676 N C 1.602 177.182 175.510 0.117 0.000 1.023 676 N CA 1.581 54.688 53.050 0.095 0.000 0.852 676 N CB -0.290 38.225 38.487 0.046 0.000 0.998 676 N HN 0.523 nan 8.380 nan 0.000 0.424 677 N N 0.217 118.978 118.700 0.103 0.000 2.354 677 N HA -0.151 4.589 4.740 0.000 0.000 0.179 677 N C -0.077 175.525 175.510 0.152 0.000 1.021 677 N CA 0.291 53.390 53.050 0.082 0.000 0.887 677 N CB -0.262 38.235 38.487 0.017 0.000 0.974 677 N HN 0.369 nan 8.380 nan 0.000 0.437 678 W N 2.267 123.530 121.300 -0.061 0.000 6.880 678 W HA -0.246 4.414 4.660 0.000 0.000 0.423 678 W C -0.854 175.605 176.519 -0.099 0.000 1.695 678 W CA 0.428 57.728 57.345 -0.076 0.000 1.126 678 W CB -1.240 28.190 29.460 -0.049 0.000 2.925 678 W HN 0.047 nan 8.180 nan 0.000 1.530 679 N N 1.386 119.941 118.700 -0.242 0.000 2.503 679 N HA 0.442 5.183 4.740 0.000 0.000 0.287 679 N C -0.054 175.274 175.510 -0.304 0.000 1.096 679 N CA 0.490 53.389 53.050 -0.251 0.000 0.936 679 N CB 1.640 40.060 38.487 -0.112 0.000 1.570 679 N HN 0.056 nan 8.380 nan 0.000 0.504 680 A N 2.464 125.063 122.820 -0.368 0.000 2.390 680 A HA 0.177 4.497 4.320 0.000 0.000 0.232 680 A C 0.811 178.284 177.584 -0.185 0.000 1.233 680 A CA 0.073 51.912 52.037 -0.330 0.000 0.907 680 A CB 0.141 18.818 19.000 -0.538 0.000 0.967 680 A HN 0.616 nan 8.150 nan 0.000 0.512 681 D N 1.032 121.339 120.400 -0.156 0.000 2.182 681 D HA -0.109 4.531 4.640 0.000 0.000 0.201 681 D C 0.179 176.448 176.300 -0.051 0.000 0.986 681 D CA 1.243 55.185 54.000 -0.097 0.000 0.847 681 D CB 0.006 40.755 40.800 -0.085 0.000 0.942 681 D HN 0.393 nan 8.370 nan 0.000 0.467 682 D N 0.205 120.565 120.400 -0.067 0.000 2.755 682 D HA 0.128 4.768 4.640 0.000 0.000 0.257 682 D C 0.413 176.658 176.300 -0.091 0.000 1.291 682 D CA -0.287 53.688 54.000 -0.041 0.000 0.836 682 D CB 0.621 41.401 40.800 -0.034 0.000 1.059 682 D HN 0.228 nan 8.370 nan 0.000 0.486 683 I N 1.083 121.580 120.570 -0.121 0.000 2.692 683 I HA -0.046 4.124 4.170 0.000 0.000 0.284 683 I C -0.039 175.907 176.117 -0.284 0.000 1.159 683 I CA 0.338 61.482 61.300 -0.260 0.000 1.423 683 I CB 0.621 38.449 38.000 -0.288 0.000 1.380 683 I HN -0.130 nan 8.210 nan 0.000 0.580 684 E N 6.886 126.811 120.200 -0.458 0.000 2.101 684 E HA 0.173 4.523 4.350 0.000 0.000 0.260 684 E C -1.688 174.617 176.600 -0.492 0.000 0.897 684 E CA -0.411 55.724 56.400 -0.441 0.000 0.744 684 E CB 0.771 29.991 29.700 -0.800 0.000 1.140 684 E HN 0.465 nan 8.360 nan 0.000 0.419 685 W N 2.925 124.158 121.300 -0.111 0.000 2.345 685 W HA 0.245 4.905 4.660 0.001 0.000 0.308 685 W C -0.300 176.156 176.519 -0.105 0.000 1.273 685 W CA -0.581 56.616 57.345 -0.247 0.000 1.243 685 W CB 0.778 29.928 29.460 -0.515 0.000 1.260 685 W HN 0.186 nan 8.180 nan 0.000 0.509 686 V N 4.566 124.489 119.914 0.014 0.000 2.357 686 V HA 0.101 4.221 4.120 0.000 0.000 0.284 686 V C 0.040 176.126 176.094 -0.014 0.000 1.018 686 V CA -1.149 61.136 62.300 -0.024 0.000 0.841 686 V CB 1.064 32.777 31.823 -0.183 0.000 0.991 686 V HN 0.420 nan 8.190 nan 0.000 0.437 687 N N 4.512 123.075 118.700 -0.229 0.000 2.420 687 N HA 0.228 4.968 4.740 0.000 0.000 0.262 687 N C 0.572 175.929 175.510 -0.255 0.000 1.144 687 N CA -0.085 52.602 53.050 -0.605 0.000 0.952 687 N CB 0.683 38.674 38.487 -0.826 0.000 1.081 687 N HN 0.724 nan 8.380 nan 0.000 0.480 688 I N -0.421 120.002 120.570 -0.246 0.000 4.323 688 I HA 0.359 4.530 4.170 0.000 0.000 0.328 688 I C 0.492 176.550 176.117 -0.099 0.000 1.310 688 I CA -0.242 60.977 61.300 -0.135 0.000 1.186 688 I CB 0.510 38.342 38.000 -0.279 0.000 1.130 688 I HN 0.350 nan 8.210 nan 0.000 0.411 689 T N 0.261 114.732 114.554 -0.140 0.000 2.885 689 T HA 0.385 4.735 4.350 0.000 0.000 0.322 689 T C -2.055 172.615 174.700 -0.050 0.000 1.387 689 T CA -0.482 61.611 62.100 -0.012 0.000 1.041 689 T CB 2.060 71.006 68.868 0.130 0.000 1.287 689 T HN 0.063 nan 8.240 nan 0.000 0.491 690 D N 2.393 122.795 120.400 0.003 0.000 2.362 690 D HA 0.661 5.301 4.640 0.000 0.000 0.247 690 D C -0.285 176.037 176.300 0.037 0.000 1.050 690 D CA -0.268 53.745 54.000 0.023 0.000 0.839 690 D CB 2.073 42.910 40.800 0.063 0.000 1.283 690 D HN 0.339 nan 8.370 nan 0.000 0.477 691 Q N 0.360 120.172 119.800 0.020 0.000 2.427 691 Q HA 0.662 5.002 4.340 0.000 0.000 0.232 691 Q C -0.487 175.445 176.000 -0.113 0.000 1.018 691 Q CA -0.623 55.118 55.803 -0.103 0.000 0.965 691 Q CB 1.474 30.149 28.738 -0.106 0.000 1.232 691 Q HN 0.407 nan 8.270 nan 0.000 0.510 692 I N 0.649 121.059 120.570 -0.266 0.000 2.474 692 I HA 0.309 4.480 4.170 0.000 0.000 0.294 692 I C -1.222 174.749 176.117 -0.243 0.000 1.005 692 I CA -0.971 60.075 61.300 -0.423 0.000 1.113 692 I CB 1.383 38.968 38.000 -0.693 0.000 1.289 692 I HN 0.501 nan 8.210 nan 0.000 0.436 693 Y N 5.802 125.921 120.300 -0.302 0.000 2.331 693 Y HA 0.213 4.763 4.550 0.000 0.000 0.338 693 Y C 1.100 176.882 175.900 -0.197 0.000 0.976 693 Y CA -0.190 57.794 58.100 -0.194 0.000 1.137 693 Y CB 1.262 39.658 38.460 -0.106 0.000 1.172 693 Y HN 0.605 nan 8.280 nan 0.000 0.478 694 Q N 4.474 123.846 119.800 -0.713 0.000 2.046 694 Q HA 0.006 4.346 4.340 0.000 0.000 0.200 694 Q C 1.408 177.032 176.000 -0.626 0.000 0.975 694 Q CA 2.074 57.541 55.803 -0.559 0.000 0.836 694 Q CB -0.246 28.248 28.738 -0.407 0.000 0.896 694 Q HN 1.268 nan 8.270 nan 0.000 0.428 695 G N -1.597 106.545 108.800 -1.096 0.000 2.175 695 G HA2 -0.252 3.708 3.960 0.000 0.000 0.244 695 G HA3 -0.252 3.708 3.960 0.000 0.000 0.244 695 G C 0.817 175.607 174.900 -0.184 0.000 0.982 695 G CA 0.627 45.339 45.100 -0.647 0.000 0.641 695 G HN 0.579 nan 8.290 nan 0.000 0.527 696 G N 0.186 108.871 108.800 -0.192 0.000 2.484 696 G HA2 0.410 4.370 3.960 0.000 0.000 0.218 696 G HA3 0.410 4.370 3.960 0.000 0.000 0.218 696 G C 0.869 175.853 174.900 0.139 0.000 1.130 696 G CA 1.284 46.377 45.100 -0.011 0.000 0.784 696 G HN 1.545 nan 8.290 nan 0.000 0.543 697 I N -4.723 115.875 120.570 0.046 0.000 3.191 697 I HA 0.519 4.689 4.170 0.000 0.000 0.313 697 I C 0.949 177.033 176.117 -0.056 0.000 1.193 697 I CA -1.110 60.263 61.300 0.122 0.000 0.968 697 I CB 1.823 39.839 38.000 0.027 0.000 1.262 697 I HN -0.230 nan 8.210 nan 0.000 0.456 698 V N 2.402 122.201 119.914 -0.191 0.000 2.515 698 V HA -0.092 4.028 4.120 0.000 0.000 0.250 698 V C 1.004 177.013 176.094 -0.143 0.000 1.058 698 V CA 1.528 63.564 62.300 -0.440 0.000 1.064 698 V CB -0.910 30.674 31.823 -0.398 0.000 0.675 698 V HN 0.863 nan 8.190 nan 0.000 0.461 699 N N 0.283 118.913 118.700 -0.116 0.000 2.508 699 N HA 0.244 4.985 4.740 0.000 0.000 0.264 699 N C -0.492 175.064 175.510 0.077 0.000 1.216 699 N CA 0.390 53.306 53.050 -0.223 0.000 0.943 699 N CB 0.944 39.001 38.487 -0.717 0.000 1.113 699 N HN 0.253 nan 8.380 nan 0.000 0.447 700 S N -0.483 115.291 115.700 0.124 0.000 2.500 700 S HA 0.552 5.022 4.470 0.000 0.000 0.301 700 S C 0.742 175.565 174.600 0.371 0.000 1.092 700 S CA -0.844 57.537 58.200 0.301 0.000 1.030 700 S CB 1.145 64.438 63.200 0.154 0.000 1.031 700 S HN 0.663 nan 8.310 nan 0.000 0.483 701 G N 2.318 111.268 108.800 0.251 0.000 3.042 701 G HA2 0.182 4.143 3.960 0.000 0.000 0.212 701 G HA3 0.182 4.143 3.960 0.000 0.000 0.212 701 G C 0.547 175.415 174.900 -0.054 0.000 1.166 701 G CA 0.401 45.521 45.100 0.034 0.000 0.767 701 G HN 0.895 nan 8.290 nan 0.000 0.546 702 V N 0.447 120.388 119.914 0.044 0.000 2.655 702 V HA 0.561 4.681 4.120 0.000 0.000 0.300 702 V C 1.061 177.243 176.094 0.147 0.000 1.044 702 V CA 0.957 63.296 62.300 0.065 0.000 1.095 702 V CB 0.538 32.408 31.823 0.079 0.000 0.952 702 V HN 1.330 nan 8.190 nan 0.000 0.485 703 G N 3.671 112.627 108.800 0.260 0.000 2.527 703 G HA2 -0.074 3.887 3.960 0.000 0.000 0.262 703 G HA3 -0.074 3.887 3.960 0.000 0.000 0.262 703 G C 0.537 175.606 174.900 0.281 0.000 1.153 703 G CA 0.632 45.957 45.100 0.374 0.000 0.954 703 G HN 2.504 nan 8.290 nan 0.000 0.552 704 V N -2.152 117.941 119.914 0.299 0.000 5.678 704 V HA 0.147 4.268 4.120 0.000 0.000 0.205 704 V C 1.160 177.452 176.094 0.330 0.000 0.703 704 V CA 1.991 64.483 62.300 0.320 0.000 0.545 704 V CB -1.930 30.084 31.823 0.318 0.000 0.202 704 V HN 2.523 nan 8.190 nan 0.000 0.481 705 G N 0.272 109.302 108.800 0.383 0.000 3.039 705 G HA2 0.791 4.751 3.960 0.000 0.000 0.159 705 G HA3 0.791 4.751 3.960 0.000 0.000 0.159 705 G C -0.298 174.817 174.900 0.358 0.000 1.284 705 G CA -0.238 45.038 45.100 0.294 0.000 0.996 705 G HN 1.586 nan 8.290 nan 0.000 0.592 706 S N -2.575 113.320 115.700 0.324 0.000 2.552 706 S HA 0.570 5.041 4.470 0.000 0.000 0.272 706 S C -1.740 173.053 174.600 0.321 0.000 1.150 706 S CA -0.440 57.946 58.200 0.309 0.000 0.849 706 S CB 1.754 65.091 63.200 0.228 0.000 1.113 706 S HN 0.702 nan 8.310 nan 0.000 0.458 707 V N 3.146 123.235 119.914 0.291 0.000 2.709 707 V HA 0.845 4.965 4.120 0.000 0.000 0.308 707 V C -0.489 175.752 176.094 0.244 0.000 1.062 707 V CA -0.492 61.973 62.300 0.274 0.000 0.901 707 V CB 1.654 33.665 31.823 0.313 0.000 1.003 707 V HN 0.985 nan 8.190 nan 0.000 0.425 708 V N 2.444 122.520 119.914 0.271 0.000 3.114 708 V HA 0.848 4.968 4.120 0.000 0.000 0.308 708 V C -1.033 175.272 176.094 0.351 0.000 1.168 708 V CA -0.790 61.670 62.300 0.267 0.000 1.015 708 V CB 2.122 34.061 31.823 0.194 0.000 1.050 708 V HN 0.485 nan 8.190 nan 0.000 0.433 709 V N 2.473 122.575 119.914 0.313 0.000 2.459 709 V HA 0.620 4.740 4.120 0.000 0.000 0.295 709 V C -0.114 176.159 176.094 0.299 0.000 1.029 709 V CA -0.494 62.005 62.300 0.332 0.000 0.874 709 V CB 1.612 33.591 31.823 0.259 0.000 0.985 709 V HN 1.027 nan 8.190 nan 0.000 0.438 710 K N 3.995 124.622 120.400 0.379 0.000 2.507 710 K HA 0.377 4.697 4.320 0.000 0.000 0.252 710 K C -0.504 176.267 176.600 0.284 0.000 0.943 710 K CA -0.416 56.026 56.287 0.258 0.000 0.808 710 K CB 1.263 33.841 32.500 0.130 0.000 1.142 710 K HN 0.860 nan 8.250 nan 0.000 0.426 711 D N 1.615 122.127 120.400 0.187 0.000 3.771 711 D HA -0.308 4.332 4.640 0.000 0.000 0.145 711 D C 0.436 176.825 176.300 0.149 0.000 0.892 711 D CA 1.772 55.869 54.000 0.161 0.000 1.080 711 D CB -0.617 40.286 40.800 0.171 0.000 0.498 711 D HN 0.883 nan 8.370 nan 0.000 0.499 712 N N 0.941 119.720 118.700 0.131 0.000 2.295 712 N HA 0.030 4.771 4.740 0.000 0.000 0.221 712 N C -0.625 174.694 175.510 -0.319 0.000 1.129 712 N CA 0.159 53.163 53.050 -0.077 0.000 0.836 712 N CB -0.022 38.372 38.487 -0.156 0.000 1.040 712 N HN 0.401 nan 8.380 nan 0.000 0.494 713 Y N 0.164 120.488 120.300 0.040 0.000 2.462 713 Y HA 0.530 5.080 4.550 0.000 0.000 0.346 713 Y C -0.279 175.584 175.900 -0.061 0.000 0.976 713 Y CA -1.017 57.031 58.100 -0.088 0.000 1.044 713 Y CB 2.205 40.518 38.460 -0.244 0.000 1.230 713 Y HN -0.114 nan 8.280 nan 0.000 0.455 714 I N 2.539 123.112 120.570 0.005 0.000 2.525 714 I HA 0.476 4.647 4.170 0.000 0.000 0.301 714 I C -1.669 174.376 176.117 -0.121 0.000 0.992 714 I CA -0.930 60.433 61.300 0.105 0.000 1.162 714 I CB 1.319 39.458 38.000 0.230 0.000 1.332 714 I HN 0.598 nan 8.210 nan 0.000 0.458 715 Y N 6.238 126.619 120.300 0.136 0.000 2.346 715 Y HA 0.321 4.871 4.550 0.000 0.000 0.332 715 Y C -1.105 174.805 175.900 0.017 0.000 0.985 715 Y CA -0.579 57.580 58.100 0.100 0.000 1.112 715 Y CB 1.491 40.029 38.460 0.131 0.000 1.170 715 Y HN 0.391 nan 8.280 nan 0.000 0.447 716 Y N 4.577 124.788 120.300 -0.148 0.000 2.334 716 Y HA 0.688 5.238 4.550 0.000 0.000 0.336 716 Y C -1.351 174.652 175.900 0.172 0.000 0.960 716 Y CA -1.910 56.028 58.100 -0.269 0.000 1.164 716 Y CB 0.924 38.769 38.460 -1.025 0.000 1.155 716 Y HN 0.659 nan 8.280 nan 0.000 0.478 717 M N 8.789 128.374 119.600 -0.025 0.000 2.205 717 M HA 0.542 5.022 4.480 0.000 0.000 0.344 717 M C -1.336 174.911 176.300 -0.089 0.000 1.085 717 M CA -0.322 54.957 55.300 -0.035 0.000 1.001 717 M CB 1.114 33.687 32.600 -0.044 0.000 1.626 717 M HN 0.581 nan 8.290 nan 0.000 0.442 718 F N -0.460 119.234 119.950 -0.426 0.000 2.773 718 F HA 0.907 5.434 4.527 0.000 0.000 0.314 718 F C -0.255 175.439 175.800 -0.177 0.000 1.160 718 F CA -1.537 56.242 58.000 -0.369 0.000 0.920 718 F CB 0.669 39.256 39.000 -0.689 0.000 1.323 718 F HN 0.556 nan 8.300 nan 0.000 0.457 719 G N -0.406 108.298 108.800 -0.160 0.000 2.448 719 G HA2 0.578 4.538 3.960 0.000 0.000 0.285 719 G HA3 0.578 4.538 3.960 0.000 0.000 0.285 719 G C -0.663 174.103 174.900 -0.223 0.000 1.176 719 G CA -0.398 44.572 45.100 -0.216 0.000 0.852 719 G HN 1.267 nan 8.290 nan 0.000 0.530 720 G N -0.193 108.530 108.800 -0.130 0.000 2.704 720 G HA2 0.613 4.573 3.960 0.000 0.000 0.293 720 G HA3 0.613 4.573 3.960 0.000 0.000 0.293 720 G C -0.867 173.973 174.900 -0.100 0.000 1.421 720 G CA -0.636 44.342 45.100 -0.202 0.000 0.870 720 G HN 0.573 nan 8.290 nan 0.000 0.492 721 E N -0.842 119.250 120.200 -0.180 0.000 2.518 721 E HA 0.589 4.939 4.350 0.000 0.000 0.248 721 E C -0.780 175.667 176.600 -0.255 0.000 1.028 721 E CA -0.693 55.581 56.400 -0.211 0.000 0.922 721 E CB 1.456 31.009 29.700 -0.246 0.000 1.299 721 E HN 0.642 nan 8.360 nan 0.000 0.457 722 D N -1.871 118.347 120.400 -0.304 0.000 2.732 722 D HA 0.172 4.812 4.640 0.000 0.000 0.292 722 D C 0.280 176.278 176.300 -0.504 0.000 1.135 722 D CA -0.548 53.196 54.000 -0.425 0.000 1.071 722 D CB 0.192 40.803 40.800 -0.315 0.000 1.457 722 D HN 0.328 nan 8.370 nan 0.000 0.547 723 H N -1.068 117.736 119.070 -0.445 0.000 2.556 723 H HA 0.162 4.718 4.556 0.000 0.000 0.268 723 H C -0.181 174.959 175.328 -0.313 0.000 0.996 723 H CA 0.133 55.948 56.048 -0.387 0.000 1.157 723 H CB -0.253 29.302 29.762 -0.344 0.000 1.355 723 H HN 0.200 nan 8.280 nan 0.000 0.597 724 F N 2.061 121.945 119.950 -0.110 0.000 2.462 724 F HA 0.068 4.595 4.527 0.000 0.000 0.360 724 F C 1.238 176.805 175.800 -0.389 0.000 1.134 724 F CA -0.956 56.931 58.000 -0.188 0.000 1.148 724 F CB -0.127 38.790 39.000 -0.139 0.000 1.147 724 F HN -0.034 nan 8.300 nan 0.000 0.550 725 N N 6.184 124.603 118.700 -0.468 0.000 2.458 725 N HA 0.009 4.749 4.740 0.000 0.000 0.258 725 N C -1.461 173.407 175.510 -1.071 0.000 1.219 725 N CA -1.074 51.429 53.050 -0.910 0.000 0.902 725 N CB 1.221 38.718 38.487 -1.650 0.000 1.076 725 N HN 0.218 nan 8.380 nan 0.000 0.455 726 P HA -0.041 nan 4.420 nan 0.000 0.233 726 P C -0.500 176.656 177.300 -0.241 0.000 1.167 726 P CA 0.554 63.413 63.100 -0.402 0.000 0.770 726 P CB -0.136 31.513 31.700 -0.085 0.000 0.837 727 W N -1.495 119.798 121.300 -0.011 0.000 4.435 727 W HA -0.191 4.469 4.660 -0.000 0.000 0.351 727 W C 1.178 177.684 176.519 -0.021 0.000 1.319 727 W CA 0.142 57.488 57.345 0.002 0.000 0.791 727 W CB -3.116 26.341 29.460 -0.005 0.000 2.419 727 W HN -0.071 nan 8.180 nan 0.000 1.406 728 T N -1.237 113.347 114.554 0.050 0.000 2.684 728 T HA -0.219 4.131 4.350 0.000 0.000 0.267 728 T C 0.477 175.092 174.700 -0.140 0.000 1.036 728 T CA 1.472 63.502 62.100 -0.118 0.000 1.148 728 T CB -0.248 68.413 68.868 -0.345 0.000 0.863 728 T HN 0.194 nan 8.240 nan 0.000 0.436 729 Y N 1.183 121.602 120.300 0.199 0.000 2.676 729 Y HA 0.539 5.089 4.550 0.000 0.000 0.338 729 Y C 0.992 177.037 175.900 0.241 0.000 1.057 729 Y CA -0.595 57.615 58.100 0.183 0.000 1.314 729 Y CB 0.631 39.190 38.460 0.165 0.000 1.164 729 Y HN 0.324 nan 8.280 nan 0.000 0.509 730 G N 1.867 110.848 108.800 0.302 0.000 2.373 730 G HA2 -0.123 3.837 3.960 0.000 0.000 0.250 730 G HA3 -0.123 3.837 3.960 0.000 0.000 0.250 730 G C -0.794 174.184 174.900 0.129 0.000 1.304 730 G CA -0.238 44.989 45.100 0.211 0.000 0.948 730 G HN 0.441 nan 8.290 nan 0.000 0.474 731 D N -0.556 119.879 120.400 0.058 0.000 2.328 731 D HA 0.065 4.705 4.640 0.000 0.000 0.226 731 D C 0.657 177.003 176.300 0.076 0.000 1.066 731 D CA 0.428 54.445 54.000 0.029 0.000 0.861 731 D CB -0.066 40.700 40.800 -0.055 0.000 0.912 731 D HN 0.411 nan 8.370 nan 0.000 0.521 732 N N 0.109 118.891 118.700 0.136 0.000 2.610 732 N HA 0.020 4.761 4.740 0.000 0.000 0.307 732 N C 0.676 176.251 175.510 0.108 0.000 1.813 732 N CA 0.085 53.209 53.050 0.124 0.000 0.901 732 N CB 0.535 39.109 38.487 0.145 0.000 1.354 732 N HN 0.088 nan 8.380 nan 0.000 0.491 733 S N -0.860 114.897 115.700 0.094 0.000 2.419 733 S HA -0.130 4.340 4.470 0.000 0.000 0.233 733 S C 1.927 176.570 174.600 0.071 0.000 1.016 733 S CA 0.875 59.118 58.200 0.072 0.000 0.974 733 S CB -0.078 63.173 63.200 0.084 0.000 0.786 733 S HN 0.388 nan 8.310 nan 0.000 0.492 734 A N 1.629 124.498 122.820 0.081 0.000 2.168 734 A HA 0.149 4.470 4.320 0.000 0.000 0.215 734 A C 1.169 178.821 177.584 0.115 0.000 1.152 734 A CA 0.808 52.897 52.037 0.087 0.000 0.716 734 A CB -0.646 18.404 19.000 0.085 0.000 0.794 734 A HN 0.570 nan 8.150 nan 0.000 0.465 735 K N -0.412 120.070 120.400 0.137 0.000 3.160 735 K HA -0.174 4.146 4.320 0.000 0.000 0.280 735 K C -0.559 176.187 176.600 0.243 0.000 1.154 735 K CA 0.717 57.148 56.287 0.240 0.000 0.822 735 K CB -1.645 31.008 32.500 0.254 0.000 1.239 735 K HN 0.618 nan 8.250 nan 0.000 0.489 736 D N 0.859 121.331 120.400 0.121 0.000 2.451 736 D HA 0.016 4.657 4.640 0.000 0.000 0.254 736 D C -1.375 174.867 176.300 -0.096 0.000 1.204 736 D CA -1.744 52.297 54.000 0.069 0.000 0.896 736 D CB 1.028 41.880 40.800 0.088 0.000 1.136 736 D HN -0.011 nan 8.370 nan 0.000 0.499 737 P HA -0.076 nan 4.420 nan 0.000 0.220 737 P C 0.560 177.399 177.300 -0.770 0.000 1.148 737 P CA 0.875 63.584 63.100 -0.652 0.000 0.803 737 P CB 0.028 31.024 31.700 -1.174 0.000 0.782 738 F N -1.290 118.611 119.950 -0.081 0.000 2.765 738 F HA 0.126 4.654 4.527 0.000 0.000 0.302 738 F C 1.073 176.852 175.800 -0.034 0.000 1.111 738 F CA 0.112 58.077 58.000 -0.059 0.000 1.359 738 F CB -0.476 38.505 39.000 -0.030 0.000 1.097 738 F HN -0.315 nan 8.300 nan 0.000 0.577 739 K N 0.606 121.032 120.400 0.044 0.000 2.174 739 K HA 0.316 4.636 4.320 0.000 0.000 0.275 739 K C 0.945 177.551 176.600 0.011 0.000 1.015 739 K CA 0.183 56.495 56.287 0.041 0.000 0.933 739 K CB 1.433 33.961 32.500 0.046 0.000 1.025 739 K HN 0.134 nan 8.250 nan 0.000 0.463 740 S N 2.019 117.737 115.700 0.030 0.000 3.927 740 S HA -0.256 4.214 4.470 0.000 0.000 0.618 740 S C 0.483 175.051 174.600 -0.053 0.000 2.201 740 S CA 1.710 59.929 58.200 0.031 0.000 4.160 740 S CB -0.976 62.331 63.200 0.179 0.000 0.266 740 S HN 0.768 nan 8.310 nan 0.000 0.760 741 D N 2.967 123.307 120.400 -0.099 0.000 2.328 741 D HA 0.344 4.984 4.640 0.000 0.000 0.226 741 D C 1.431 177.609 176.300 -0.203 0.000 1.066 741 D CA 1.194 55.062 54.000 -0.220 0.000 0.861 741 D CB -0.507 40.055 40.800 -0.397 0.000 0.912 741 D HN 0.973 nan 8.370 nan 0.000 0.521 742 G N 1.193 109.850 108.800 -0.237 0.000 2.602 742 G HA2 -0.301 3.659 3.960 0.000 0.000 0.306 742 G HA3 -0.301 3.659 3.960 0.000 0.000 0.306 742 G C -0.348 174.266 174.900 -0.477 0.000 1.301 742 G CA -0.006 44.848 45.100 -0.411 0.000 0.974 742 G HN 0.491 nan 8.290 nan 0.000 0.547 743 H N 2.109 121.108 119.070 -0.118 0.000 2.488 743 H HA 0.446 5.002 4.556 0.000 0.000 0.322 743 H C -1.133 174.081 175.328 -0.189 0.000 1.078 743 H CA -1.208 54.764 56.048 -0.126 0.000 1.260 743 H CB 1.932 31.679 29.762 -0.025 0.000 1.425 743 H HN 0.316 nan 8.280 nan 0.000 0.471 744 P HA -0.085 nan 4.420 nan 0.000 0.229 744 P C 0.451 177.615 177.300 -0.226 0.000 1.160 744 P CA 0.435 63.446 63.100 -0.147 0.000 0.777 744 P CB 0.478 32.072 31.700 -0.176 0.000 0.814 745 S N 0.491 115.950 115.700 -0.401 0.000 2.531 745 S HA 0.212 4.682 4.470 0.000 0.000 0.279 745 S C -0.175 174.247 174.600 -0.298 0.000 1.305 745 S CA -0.073 57.862 58.200 -0.442 0.000 1.058 745 S CB -0.156 62.546 63.200 -0.831 0.000 0.899 745 S HN -0.031 nan 8.310 nan 0.000 0.493 746 D N 2.083 122.330 120.400 -0.256 0.000 2.596 746 D HA 0.372 5.012 4.640 0.000 0.000 0.262 746 D C -0.906 175.140 176.300 -0.422 0.000 1.210 746 D CA -0.475 53.327 54.000 -0.331 0.000 0.873 746 D CB 1.367 41.964 40.800 -0.339 0.000 1.408 746 D HN 0.412 nan 8.370 nan 0.000 0.441 747 L N 1.057 121.916 121.223 -0.607 0.000 2.343 747 L HA 0.468 4.808 4.340 0.000 0.000 0.275 747 L C -0.800 175.543 176.870 -0.878 0.000 1.056 747 L CA -0.570 53.894 54.840 -0.627 0.000 0.804 747 L CB 0.652 42.325 42.059 -0.643 0.000 1.203 747 L HN 0.315 nan 8.230 nan 0.000 0.440 748 Y N 0.397 120.280 120.300 -0.696 0.000 2.633 748 Y HA 0.548 5.098 4.550 0.000 0.000 0.339 748 Y C -0.288 175.320 175.900 -0.487 0.000 1.045 748 Y CA -0.730 56.988 58.100 -0.636 0.000 1.098 748 Y CB 2.091 40.048 38.460 -0.838 0.000 1.296 748 Y HN 0.490 nan 8.280 nan 0.000 0.494 749 C N 2.012 121.321 119.300 0.015 0.000 2.516 749 C HA 0.497 4.957 4.460 0.000 0.000 0.338 749 C C -1.622 173.646 174.990 0.463 0.000 1.132 749 C CA -0.830 58.312 59.018 0.207 0.000 1.310 749 C CB -0.616 27.142 27.740 0.030 0.000 1.898 749 C HN 0.782 nan 8.230 nan 0.000 0.452 750 Y N 5.207 125.756 120.300 0.415 0.000 2.383 750 Y HA 0.450 5.000 4.550 0.000 0.000 0.344 750 Y C 0.325 176.339 175.900 0.190 0.000 0.986 750 Y CA 0.235 58.530 58.100 0.326 0.000 1.175 750 Y CB 0.469 39.110 38.460 0.301 0.000 1.152 750 Y HN 0.743 nan 8.280 nan 0.000 0.511 751 K N 8.162 128.483 120.400 -0.133 0.000 2.263 751 K HA 0.415 4.736 4.320 0.000 0.000 0.272 751 K C -1.293 175.181 176.600 -0.209 0.000 1.033 751 K CA -0.649 55.509 56.287 -0.215 0.000 0.884 751 K CB 0.664 33.098 32.500 -0.110 0.000 1.107 751 K HN 0.854 nan 8.250 nan 0.000 0.460 752 M N 4.752 124.334 119.600 -0.029 0.000 2.253 752 M HA 0.265 4.745 4.480 0.000 0.000 0.314 752 M C -1.128 175.200 176.300 0.047 0.000 1.019 752 M CA -0.755 54.603 55.300 0.097 0.000 0.932 752 M CB 1.523 34.273 32.600 0.250 0.000 1.606 752 M HN 0.573 nan 8.290 nan 0.000 0.430 753 K N 3.467 123.842 120.400 -0.042 0.000 2.368 753 K HA 0.198 4.518 4.320 0.000 0.000 0.282 753 K C -0.245 176.196 176.600 -0.265 0.000 1.035 753 K CA 0.142 56.172 56.287 -0.428 0.000 0.973 753 K CB 0.671 32.952 32.500 -0.365 0.000 0.957 753 K HN 0.784 nan 8.250 nan 0.000 0.474 754 I N 2.336 122.719 120.570 -0.312 0.000 4.442 754 I HA 0.281 4.451 4.170 0.000 0.000 0.331 754 I C 0.054 176.089 176.117 -0.138 0.000 1.364 754 I CA -0.010 61.199 61.300 -0.151 0.000 1.207 754 I CB 1.298 39.257 38.000 -0.069 0.000 1.298 754 I HN 0.740 nan 8.210 nan 0.000 0.463 755 G N 0.002 108.681 108.800 -0.201 0.000 2.660 755 G HA2 0.567 4.527 3.960 0.000 0.000 0.290 755 G HA3 0.567 4.527 3.960 0.000 0.000 0.290 755 G C -3.167 171.643 174.900 -0.150 0.000 1.432 755 G CA -1.043 43.976 45.100 -0.135 0.000 0.807 755 G HN -0.305 nan 8.290 nan 0.000 0.485 756 P HA 0.218 nan 4.420 nan 0.000 0.271 756 P C -1.033 176.237 177.300 -0.051 0.000 1.218 756 P CA -0.133 62.928 63.100 -0.066 0.000 0.780 756 P CB 0.971 32.649 31.700 -0.037 0.000 0.901 757 D N 1.882 122.266 120.400 -0.026 0.000 2.441 757 D HA 0.141 4.781 4.640 0.000 0.000 0.231 757 D C -0.251 176.065 176.300 0.027 0.000 1.073 757 D CA -0.249 53.764 54.000 0.022 0.000 0.850 757 D CB 0.068 40.909 40.800 0.068 0.000 1.062 757 D HN 0.199 nan 8.370 nan 0.000 0.524 758 N N 2.198 120.914 118.700 0.027 0.000 2.313 758 N HA 0.110 4.850 4.740 0.000 0.000 0.207 758 N C 0.139 175.666 175.510 0.028 0.000 1.141 758 N CA -0.057 53.007 53.050 0.022 0.000 0.830 758 N CB 0.704 39.201 38.487 0.016 0.000 1.008 758 N HN 0.080 nan 8.380 nan 0.000 0.481 759 R N 0.088 120.611 120.500 0.039 0.000 2.732 759 R HA 0.452 4.792 4.340 0.000 0.000 0.278 759 R C -0.318 176.006 176.300 0.041 0.000 0.976 759 R CA -0.864 55.259 56.100 0.039 0.000 0.963 759 R CB 1.873 32.201 30.300 0.046 0.000 1.150 759 R HN -0.067 nan 8.270 nan 0.000 0.478 760 V N 1.128 121.063 119.914 0.034 0.000 3.237 760 V HA -0.043 4.077 4.120 0.000 0.000 0.305 760 V C 0.717 176.835 176.094 0.041 0.000 1.096 760 V CA 0.347 62.667 62.300 0.034 0.000 1.130 760 V CB 1.661 33.501 31.823 0.028 0.000 1.048 760 V HN 0.794 nan 8.190 nan 0.000 0.484 761 S N 1.557 117.282 115.700 0.041 0.000 2.560 761 S HA 0.125 4.595 4.470 0.000 0.000 0.284 761 S C 0.837 175.465 174.600 0.046 0.000 1.327 761 S CA -0.201 58.025 58.200 0.043 0.000 1.055 761 S CB 0.166 63.389 63.200 0.038 0.000 0.868 761 S HN 0.607 nan 8.310 nan 0.000 0.506 762 R N 1.881 122.405 120.500 0.039 0.000 2.334 762 R HA 0.287 4.627 4.340 0.000 0.000 0.216 762 R C -0.399 175.945 176.300 0.073 0.000 0.905 762 R CA -0.055 56.081 56.100 0.060 0.000 1.064 762 R CB -0.055 30.267 30.300 0.036 0.000 1.046 762 R HN 0.544 nan 8.270 nan 0.000 0.508 763 D N 0.864 121.272 120.400 0.012 0.000 2.443 763 D HA 0.082 4.722 4.640 0.000 0.000 0.239 763 D C -0.217 176.107 176.300 0.041 0.000 1.136 763 D CA 0.604 54.563 54.000 -0.068 0.000 0.879 763 D CB 0.422 41.194 40.800 -0.047 0.000 1.195 763 D HN 0.024 nan 8.370 nan 0.000 0.443 764 F N -1.086 118.895 119.950 0.051 0.000 2.613 764 F HA 0.564 5.091 4.527 0.000 0.000 0.314 764 F C -0.183 175.666 175.800 0.081 0.000 1.075 764 F CA -1.625 56.404 58.000 0.050 0.000 0.945 764 F CB 1.268 40.289 39.000 0.035 0.000 1.310 764 F HN 0.029 nan 8.300 nan 0.000 0.467 765 R N 1.714 122.405 120.500 0.318 0.000 2.254 765 R HA 0.303 4.643 4.340 0.000 0.000 0.318 765 R C -1.610 174.943 176.300 0.423 0.000 1.031 765 R CA -0.518 55.743 56.100 0.269 0.000 0.905 765 R CB 0.532 30.924 30.300 0.152 0.000 1.050 765 R HN 0.857 nan 8.270 nan 0.000 0.456 766 Y N 3.642 124.129 120.300 0.312 0.000 2.587 766 Y HA 0.257 4.807 4.550 0.000 0.000 0.344 766 Y C 0.808 176.784 175.900 0.127 0.000 1.061 766 Y CA 0.836 59.094 58.100 0.263 0.000 1.370 766 Y CB 1.131 39.740 38.460 0.248 0.000 1.163 766 Y HN 0.882 nan 8.280 nan 0.000 0.527 767 G N 4.227 112.911 108.800 -0.193 0.000 3.274 767 G HA2 0.381 4.342 3.960 0.000 0.000 0.250 767 G HA3 0.381 4.342 3.960 0.000 0.000 0.250 767 G C 0.066 174.827 174.900 -0.231 0.000 1.024 767 G CA 0.284 45.309 45.100 -0.124 0.000 0.840 767 G HN 0.835 nan 8.290 nan 0.000 0.522 768 A N 0.121 122.608 122.820 -0.555 0.000 2.304 768 A HA 0.623 4.943 4.320 0.000 0.000 0.271 768 A C 0.179 177.669 177.584 -0.155 0.000 1.091 768 A CA -0.268 51.518 52.037 -0.418 0.000 0.812 768 A CB 0.956 19.599 19.000 -0.595 0.000 1.056 768 A HN 0.267 nan 8.150 nan 0.000 0.489 769 V N 3.062 122.939 119.914 -0.061 0.000 2.479 769 V HA 0.151 4.271 4.120 0.000 0.000 0.281 769 V C -1.969 174.169 176.094 0.072 0.000 1.031 769 V CA -0.682 61.633 62.300 0.025 0.000 1.038 769 V CB 0.490 32.310 31.823 -0.005 0.000 0.981 769 V HN 0.732 nan 8.190 nan 0.000 0.478 770 P HA 0.135 nan 4.420 nan 0.000 0.264 770 P C 0.119 177.450 177.300 0.052 0.000 1.229 770 P CA 0.401 63.607 63.100 0.176 0.000 0.780 770 P CB 0.062 31.845 31.700 0.138 0.000 0.808 771 N N 2.477 121.192 118.700 0.024 0.000 2.433 771 N HA 0.093 4.833 4.740 0.000 0.000 0.270 771 N C 0.756 176.250 175.510 -0.027 0.000 1.354 771 N CA -0.294 52.721 53.050 -0.058 0.000 0.889 771 N CB 0.271 38.676 38.487 -0.137 0.000 1.285 771 N HN 0.053 nan 8.380 nan 0.000 0.503 772 R N 0.094 120.596 120.500 0.004 0.000 2.123 772 R HA 0.271 4.612 4.340 0.000 0.000 0.209 772 R C 1.936 178.228 176.300 -0.013 0.000 1.078 772 R CA 0.497 56.601 56.100 0.007 0.000 1.028 772 R CB -0.822 29.485 30.300 0.012 0.000 0.939 772 R HN 0.146 nan 8.270 nan 0.000 0.463 773 A N 0.719 123.526 122.820 -0.021 0.000 1.854 773 A HA 0.023 4.343 4.320 0.000 0.000 0.214 773 A C 0.761 178.312 177.584 -0.054 0.000 1.192 773 A CA 1.001 53.013 52.037 -0.042 0.000 0.611 773 A CB 0.117 19.096 19.000 -0.036 0.000 0.832 773 A HN 0.030 nan 8.150 nan 0.000 0.442 774 V N 1.491 121.379 119.914 -0.044 0.000 2.320 774 V HA 0.266 4.386 4.120 0.000 0.000 0.268 774 V C -2.873 173.186 176.094 -0.059 0.000 1.021 774 V CA -1.504 60.772 62.300 -0.041 0.000 0.813 774 V CB 0.966 32.775 31.823 -0.024 0.000 1.054 774 V HN 0.194 nan 8.190 nan 0.000 0.444 775 P HA 0.192 nan 4.420 nan 0.000 0.270 775 P C -0.478 176.695 177.300 -0.211 0.000 1.242 775 P CA 0.316 63.356 63.100 -0.100 0.000 0.768 775 P CB 0.835 32.615 31.700 0.133 0.000 0.820 776 V N 5.541 125.146 119.914 -0.515 0.000 2.555 776 V HA 0.523 4.643 4.120 0.000 0.000 0.302 776 V C -0.348 175.211 176.094 -0.892 0.000 1.038 776 V CA -0.344 61.681 62.300 -0.460 0.000 0.887 776 V CB 1.081 32.740 31.823 -0.275 0.000 0.991 776 V HN 0.317 nan 8.190 nan 0.000 0.434 777 F N 3.087 123.016 119.950 -0.036 0.000 2.547 777 F HA 0.567 5.094 4.527 0.000 0.000 0.316 777 F C -0.362 175.432 175.800 -0.009 0.000 1.121 777 F CA -0.731 57.288 58.000 0.031 0.000 0.911 777 F CB 1.545 40.562 39.000 0.029 0.000 1.179 777 F HN 0.275 nan 8.300 nan 0.000 0.443 778 F N 3.016 123.041 119.950 0.125 0.000 2.494 778 F HA 0.135 4.662 4.527 0.000 0.000 0.369 778 F C 0.872 176.728 175.800 0.093 0.000 1.098 778 F CA -0.564 57.484 58.000 0.080 0.000 1.154 778 F CB -0.011 39.015 39.000 0.042 0.000 1.103 778 F HN 0.462 nan 8.300 nan 0.000 0.549 779 D N 0.462 120.961 120.400 0.165 0.000 2.384 779 D HA -0.007 4.634 4.640 0.000 0.000 0.244 779 D C 1.308 177.677 176.300 0.116 0.000 1.251 779 D CA -0.063 54.007 54.000 0.116 0.000 0.961 779 D CB 0.128 40.964 40.800 0.061 0.000 1.116 779 D HN 0.511 nan 8.370 nan 0.000 0.484 780 T N -2.788 111.810 114.554 0.074 0.000 3.007 780 T HA -0.176 4.174 4.350 0.000 0.000 0.270 780 T C 1.205 175.940 174.700 0.057 0.000 1.107 780 T CA 1.095 63.231 62.100 0.060 0.000 1.118 780 T CB -0.426 68.463 68.868 0.035 0.000 0.889 780 T HN 0.430 nan 8.240 nan 0.000 0.506 781 N N 0.943 119.678 118.700 0.058 0.000 2.270 781 N HA 0.230 4.970 4.740 0.000 0.000 0.198 781 N C 1.292 176.847 175.510 0.075 0.000 1.117 781 N CA 0.608 53.689 53.050 0.051 0.000 0.845 781 N CB -0.235 38.271 38.487 0.033 0.000 0.980 781 N HN 0.590 nan 8.380 nan 0.000 0.486 782 G N -0.659 108.217 108.800 0.126 0.000 2.132 782 G HA2 -0.210 3.750 3.960 0.000 0.000 0.234 782 G HA3 -0.210 3.750 3.960 0.000 0.000 0.234 782 G C -0.524 174.512 174.900 0.228 0.000 0.989 782 G CA 0.332 45.559 45.100 0.212 0.000 0.676 782 G HN 0.201 nan 8.290 nan 0.000 0.522 783 V N 0.834 120.799 119.914 0.085 0.000 2.459 783 V HA 0.500 4.620 4.120 0.000 0.000 0.295 783 V C 1.022 176.976 176.094 -0.232 0.000 1.029 783 V CA -1.141 61.126 62.300 -0.055 0.000 0.874 783 V CB 1.551 33.357 31.823 -0.029 0.000 0.985 783 V HN 0.411 nan 8.190 nan 0.000 0.438 784 R N 2.380 122.586 120.500 -0.490 0.000 2.504 784 R HA 0.295 4.635 4.340 0.000 0.000 0.291 784 R C -0.207 175.959 176.300 -0.223 0.000 0.974 784 R CA 0.401 56.170 56.100 -0.552 0.000 1.077 784 R CB 0.076 30.058 30.300 -0.531 0.000 0.926 784 R HN 0.718 nan 8.270 nan 0.000 0.407 785 T N 2.436 116.918 114.554 -0.120 0.000 2.879 785 T HA 0.280 4.630 4.350 0.000 0.000 0.290 785 T C -0.692 174.060 174.700 0.085 0.000 0.993 785 T CA -0.672 61.430 62.100 0.005 0.000 0.975 785 T CB 1.720 70.620 68.868 0.053 0.000 0.981 785 T HN 0.177 nan 8.240 nan 0.000 0.439 786 V N 6.224 126.178 119.914 0.067 0.000 2.311 786 V HA 0.301 4.421 4.120 0.000 0.000 0.275 786 V C -1.525 174.633 176.094 0.106 0.000 1.022 786 V CA -1.391 60.969 62.300 0.099 0.000 0.830 786 V CB 1.152 33.013 31.823 0.063 0.000 1.012 786 V HN 0.746 nan 8.190 nan 0.000 0.452 787 P HA 0.240 nan 4.420 nan 0.000 0.251 787 P C 0.456 177.788 177.300 0.053 0.000 1.223 787 P CA 0.159 63.302 63.100 0.072 0.000 0.796 787 P CB 0.451 32.172 31.700 0.035 0.000 1.068 788 A N 2.182 125.041 122.820 0.066 0.000 2.388 788 A HA 0.485 4.806 4.320 0.000 0.000 0.257 788 A C -2.009 175.585 177.584 0.017 0.000 1.095 788 A CA -1.192 50.864 52.037 0.032 0.000 0.791 788 A CB -0.634 18.381 19.000 0.024 0.000 1.029 788 A HN 0.045 nan 8.150 nan 0.000 0.489 789 P HA 0.313 nan 4.420 nan 0.000 0.268 789 P C -0.701 176.580 177.300 -0.031 0.000 1.205 789 P CA 0.440 63.537 63.100 -0.005 0.000 0.771 789 P CB 0.608 32.299 31.700 -0.015 0.000 0.858 790 M N 1.415 121.001 119.600 -0.023 0.000 2.531 790 M HA 0.313 4.794 4.480 0.000 0.000 0.286 790 M C -0.546 175.699 176.300 -0.092 0.000 1.232 790 M CA -0.674 54.560 55.300 -0.110 0.000 0.877 790 M CB 3.090 35.612 32.600 -0.130 0.000 1.726 790 M HN 0.195 nan 8.290 nan 0.000 0.463 791 E N 1.949 122.018 120.200 -0.218 0.000 2.191 791 E HA 0.454 4.805 4.350 0.000 0.000 0.263 791 E C -1.679 174.745 176.600 -0.293 0.000 0.881 791 E CA -0.227 56.099 56.400 -0.123 0.000 0.757 791 E CB 1.859 31.511 29.700 -0.080 0.000 1.147 791 E HN 0.410 nan 8.360 nan 0.000 0.414 792 F N 1.342 121.276 119.950 -0.026 0.000 2.361 792 F HA 0.144 4.671 4.527 0.000 0.000 0.364 792 F C 1.661 177.450 175.800 -0.020 0.000 1.117 792 F CA -0.373 57.605 58.000 -0.036 0.000 1.071 792 F CB 1.368 40.345 39.000 -0.039 0.000 1.188 792 F HN 0.324 nan 8.300 nan 0.000 0.464 793 T N -0.905 113.704 114.554 0.092 0.000 3.037 793 T HA 0.236 4.586 4.350 0.000 0.000 0.251 793 T C 1.062 175.805 174.700 0.071 0.000 1.079 793 T CA 0.142 62.293 62.100 0.085 0.000 1.067 793 T CB -0.063 68.860 68.868 0.092 0.000 0.948 793 T HN 0.552 nan 8.240 nan 0.000 0.496 794 G N 1.253 110.079 108.800 0.042 0.000 2.539 794 G HA2 0.416 4.376 3.960 0.000 0.000 0.258 794 G HA3 0.416 4.376 3.960 0.000 0.000 0.258 794 G C -0.861 174.064 174.900 0.041 0.000 1.202 794 G CA -0.629 44.481 45.100 0.016 0.000 0.851 794 G HN 0.201 nan 8.290 nan 0.000 0.556 795 D N -0.465 119.954 120.400 0.032 0.000 2.493 795 D HA 0.171 4.811 4.640 0.000 0.000 0.240 795 D C -0.118 176.186 176.300 0.006 0.000 1.142 795 D CA 0.341 54.356 54.000 0.025 0.000 0.872 795 D CB 1.404 42.220 40.800 0.027 0.000 1.173 795 D HN -0.053 nan 8.370 nan 0.000 0.467 796 L N 1.804 123.020 121.223 -0.011 0.000 2.341 796 L HA 0.547 4.887 4.340 0.000 0.000 0.278 796 L C 0.401 177.239 176.870 -0.053 0.000 1.005 796 L CA -0.538 54.269 54.840 -0.054 0.000 0.818 796 L CB 1.959 43.958 42.059 -0.099 0.000 1.259 796 L HN 0.376 nan 8.230 nan 0.000 0.418 797 G N 5.072 113.835 108.800 -0.061 0.000 2.417 797 G HA2 0.655 4.615 3.960 0.000 0.000 0.320 797 G HA3 0.655 4.615 3.960 0.000 0.000 0.320 797 G C -1.153 173.703 174.900 -0.074 0.000 1.204 797 G CA -0.395 44.673 45.100 -0.053 0.000 0.923 797 G HN 0.473 nan 8.290 nan 0.000 0.466 798 L N 1.759 122.938 121.223 -0.073 0.000 2.319 798 L HA 0.734 5.074 4.340 0.000 0.000 0.267 798 L C 1.102 177.937 176.870 -0.059 0.000 1.011 798 L CA -1.036 53.755 54.840 -0.081 0.000 0.818 798 L CB 2.122 44.122 42.059 -0.099 0.000 1.316 798 L HN 0.656 nan 8.230 nan 0.000 0.432 799 G N -1.387 107.387 108.800 -0.044 0.000 3.182 799 G HA2 0.075 4.035 3.960 0.000 0.000 0.167 799 G HA3 0.075 4.035 3.960 0.000 0.000 0.167 799 G C -0.308 174.588 174.900 -0.007 0.000 1.537 799 G CA -0.226 44.865 45.100 -0.015 0.000 1.046 799 G HN 0.617 nan 8.290 nan 0.000 0.580 800 H N -0.054 118.988 119.070 -0.047 0.000 2.929 800 H HA 0.315 4.871 4.556 0.000 0.000 0.317 800 H C -0.895 174.405 175.328 -0.047 0.000 1.031 800 H CA 0.251 56.272 56.048 -0.045 0.000 1.466 800 H CB 0.560 30.299 29.762 -0.038 0.000 1.482 800 H HN -0.035 nan 8.280 nan 0.000 0.561 801 V N 5.556 125.227 119.914 -0.405 0.000 2.540 801 V HA 0.200 4.320 4.120 0.000 0.000 0.302 801 V C 0.001 175.979 176.094 -0.193 0.000 1.035 801 V CA -0.682 61.503 62.300 -0.191 0.000 0.873 801 V CB 2.062 33.788 31.823 -0.162 0.000 0.992 801 V HN 0.846 nan 8.190 nan 0.000 0.428 802 T N 5.914 120.459 114.554 -0.016 0.000 2.792 802 T HA 0.573 4.923 4.350 0.000 0.000 0.280 802 T C -0.412 174.285 174.700 -0.005 0.000 0.990 802 T CA -0.334 61.774 62.100 0.013 0.000 0.960 802 T CB 1.058 69.978 68.868 0.086 0.000 0.939 802 T HN 0.325 nan 8.240 nan 0.000 0.439 803 I N 3.835 124.398 120.570 -0.012 0.000 2.304 803 I HA 0.361 4.531 4.170 0.000 0.000 0.291 803 I C 0.813 176.931 176.117 0.003 0.000 1.018 803 I CA -0.561 60.735 61.300 -0.007 0.000 1.260 803 I CB 0.557 38.550 38.000 -0.011 0.000 1.390 803 I HN 0.440 nan 8.210 nan 0.000 0.475 804 R N 3.536 124.039 120.500 0.005 0.000 2.543 804 R HA 0.635 4.975 4.340 0.000 0.000 0.268 804 R C 0.110 176.414 176.300 0.006 0.000 1.067 804 R CA -0.764 55.341 56.100 0.008 0.000 1.142 804 R CB 1.051 31.356 30.300 0.008 0.000 1.110 804 R HN 0.714 nan 8.270 nan 0.000 0.549 805 A N 0.858 123.681 122.820 0.006 0.000 2.524 805 A HA 0.089 4.409 4.320 0.000 0.000 0.250 805 A C 0.863 178.450 177.584 0.005 0.000 1.078 805 A CA 0.398 52.438 52.037 0.006 0.000 0.761 805 A CB 0.050 19.053 19.000 0.005 0.000 1.012 805 A HN 0.870 nan 8.150 nan 0.000 0.500 806 S N 0.627 116.330 115.700 0.005 0.000 2.661 806 S HA 0.242 4.712 4.470 0.000 0.000 0.275 806 S C 0.315 174.918 174.600 0.005 0.000 1.075 806 S CA 0.510 58.713 58.200 0.005 0.000 1.251 806 S CB 0.282 63.487 63.200 0.007 0.000 1.167 806 S HN 0.678 nan 8.310 nan 0.000 0.648 807 T N 1.888 116.445 114.554 0.005 0.000 2.893 807 T HA 0.674 5.024 4.350 0.000 0.000 0.293 807 T C -0.660 174.043 174.700 0.005 0.000 1.027 807 T CA 0.149 62.253 62.100 0.006 0.000 0.988 807 T CB 1.518 70.391 68.868 0.007 0.000 1.043 807 T HN 0.584 nan 8.240 nan 0.000 0.461 808 S N 2.696 118.399 115.700 0.005 0.000 3.681 808 S HA -0.199 4.271 4.470 0.000 0.000 0.473 808 S C 0.631 175.233 174.600 0.003 0.000 0.830 808 S CA 0.661 58.864 58.200 0.004 0.000 1.355 808 S CB -1.756 61.447 63.200 0.005 0.000 0.892 808 S HN 1.536 nan 8.310 nan 0.000 0.649 809 S N 1.645 117.346 115.700 0.003 0.000 3.549 809 S HA -0.240 4.230 4.470 0.000 0.000 0.366 809 S C 0.473 175.074 174.600 0.002 0.000 1.012 809 S CA 0.990 59.191 58.200 0.002 0.000 1.141 809 S CB -1.692 61.509 63.200 0.001 0.000 0.910 809 S HN 1.260 nan 8.310 nan 0.000 0.471 810 N N -1.543 117.158 118.700 0.002 0.000 2.708 810 N HA -0.231 4.509 4.740 0.000 0.000 0.249 810 N C 0.520 176.032 175.510 0.003 0.000 1.097 810 N CA 1.099 54.151 53.050 0.003 0.000 0.710 810 N CB -1.429 37.059 38.487 0.002 0.000 1.032 810 N HN 0.785 nan 8.380 nan 0.000 0.551 811 I N -0.375 120.197 120.570 0.003 0.000 2.546 811 I HA -0.134 4.036 4.170 0.000 0.000 0.255 811 I C 1.132 177.252 176.117 0.004 0.000 1.163 811 I CA 0.933 62.235 61.300 0.003 0.000 1.457 811 I CB 0.254 38.256 38.000 0.003 0.000 1.092 811 I HN 0.263 nan 8.210 nan 0.000 0.434 812 R N -0.121 120.382 120.500 0.005 0.000 2.795 812 R HA 0.508 4.848 4.340 0.000 0.000 0.275 812 R C -0.650 175.654 176.300 0.006 0.000 0.981 812 R CA -0.655 55.448 56.100 0.005 0.000 0.917 812 R CB 1.218 31.522 30.300 0.006 0.000 1.202 812 R HN -0.002 nan 8.270 nan 0.000 0.469 813 S N 0.235 115.939 115.700 0.007 0.000 2.616 813 S HA 0.389 4.859 4.470 0.000 0.000 0.277 813 S C -0.406 174.199 174.600 0.007 0.000 1.234 813 S CA -0.754 57.449 58.200 0.006 0.000 1.028 813 S CB 1.399 64.602 63.200 0.006 0.000 0.988 813 S HN 0.770 nan 8.310 nan 0.000 0.522 814 E N 0.712 120.916 120.200 0.008 0.000 2.321 814 E HA 0.523 4.873 4.350 0.000 0.000 0.281 814 E C -2.072 174.534 176.600 0.010 0.000 0.910 814 E CA -0.792 55.614 56.400 0.009 0.000 0.770 814 E CB 1.828 31.535 29.700 0.010 0.000 1.225 814 E HN 0.534 nan 8.360 nan 0.000 0.417 815 V N 4.731 124.652 119.914 0.011 0.000 2.444 815 V HA 0.423 4.543 4.120 0.000 0.000 0.294 815 V C -0.878 175.226 176.094 0.016 0.000 1.022 815 V CA -0.815 61.493 62.300 0.012 0.000 0.850 815 V CB 1.329 33.158 31.823 0.010 0.000 0.992 815 V HN 0.603 nan 8.190 nan 0.000 0.426 816 L N 5.779 127.013 121.223 0.018 0.000 2.307 816 L HA 0.624 4.964 4.340 0.000 0.000 0.284 816 L C -0.075 176.810 176.870 0.024 0.000 1.023 816 L CA -0.210 54.643 54.840 0.021 0.000 0.810 816 L CB 1.637 43.709 42.059 0.021 0.000 1.231 816 L HN 0.569 nan 8.230 nan 0.000 0.423 817 M N 3.332 122.948 119.600 0.027 0.000 2.205 817 M HA 0.405 4.886 4.480 0.000 0.000 0.344 817 M C 0.081 176.398 176.300 0.028 0.000 1.085 817 M CA -0.402 54.915 55.300 0.028 0.000 1.001 817 M CB 1.718 34.340 32.600 0.036 0.000 1.626 817 M HN 0.563 nan 8.290 nan 0.000 0.442 818 E N 1.109 121.321 120.200 0.020 0.000 2.961 818 E HA 0.787 5.137 4.350 0.000 0.000 0.254 818 E C 0.304 176.905 176.600 0.002 0.000 1.192 818 E CA -0.558 55.853 56.400 0.018 0.000 1.069 818 E CB 0.955 30.667 29.700 0.020 0.000 1.338 818 E HN 0.852 nan 8.360 nan 0.000 0.596 819 G N 0.672 109.474 108.800 0.003 0.000 2.760 819 G HA2 -0.317 3.643 3.960 0.000 0.000 0.246 819 G HA3 -0.317 3.643 3.960 0.000 0.000 0.246 819 G C 0.499 175.411 174.900 0.020 0.000 1.359 819 G CA 0.256 45.346 45.100 -0.015 0.000 0.861 819 G HN 0.677 nan 8.290 nan 0.000 0.541 820 E N -1.040 119.181 120.200 0.036 0.000 2.058 820 E HA -0.035 4.315 4.350 0.000 0.000 0.194 820 E C 0.957 177.687 176.600 0.217 0.000 0.997 820 E CA 1.969 58.449 56.400 0.133 0.000 0.801 820 E CB -0.065 29.761 29.700 0.210 0.000 0.746 820 E HN 0.912 nan 8.360 nan 0.000 0.450 821 Y N -2.786 117.547 120.300 0.055 0.000 2.597 821 Y HA 0.675 5.225 4.550 0.000 0.000 0.340 821 Y C -0.276 175.677 175.900 0.088 0.000 1.097 821 Y CA -0.990 57.151 58.100 0.068 0.000 1.037 821 Y CB 0.977 39.480 38.460 0.072 0.000 1.305 821 Y HN -0.125 nan 8.280 nan 0.000 0.463 822 G N 1.107 110.024 108.800 0.195 0.000 2.417 822 G HA2 0.564 4.524 3.960 0.000 0.000 0.334 822 G HA3 0.564 4.524 3.960 0.000 0.000 0.334 822 G C -2.380 172.708 174.900 0.313 0.000 1.150 822 G CA -0.815 44.364 45.100 0.133 0.000 0.923 822 G HN 0.780 nan 8.290 nan 0.000 0.485 823 F N 1.745 121.741 119.950 0.077 0.000 2.562 823 F HA 0.650 5.178 4.527 0.001 0.000 0.319 823 F C -0.832 175.019 175.800 0.086 0.000 1.154 823 F CA -1.077 56.998 58.000 0.125 0.000 0.931 823 F CB 1.552 40.641 39.000 0.147 0.000 1.198 823 F HN 0.254 nan 8.300 nan 0.000 0.444 824 I N 6.152 126.392 120.570 -0.549 0.000 2.382 824 I HA 0.620 4.790 4.170 0.000 0.000 0.286 824 I C 0.147 175.789 176.117 -0.792 0.000 1.002 824 I CA -0.521 60.505 61.300 -0.457 0.000 1.135 824 I CB 1.384 39.317 38.000 -0.113 0.000 1.288 824 I HN 0.750 nan 8.210 nan 0.000 0.448 825 G N 4.401 112.787 108.800 -0.691 0.000 2.949 825 G HA2 0.672 4.632 3.960 0.000 0.000 0.285 825 G HA3 0.672 4.632 3.960 0.000 0.000 0.285 825 G C -1.627 173.195 174.900 -0.130 0.000 1.395 825 G CA -0.524 44.286 45.100 -0.482 0.000 0.901 825 G HN 0.364 nan 8.290 nan 0.000 0.519 826 K N 0.399 120.789 120.400 -0.017 0.000 2.502 826 K HA 0.539 4.859 4.320 0.000 0.000 0.254 826 K C 0.368 176.988 176.600 0.034 0.000 0.947 826 K CA -0.460 55.817 56.287 -0.018 0.000 0.834 826 K CB 1.268 33.741 32.500 -0.045 0.000 1.112 826 K HN 0.741 nan 8.250 nan 0.000 0.427 827 S N 3.844 119.559 115.700 0.024 0.000 2.584 827 S HA 0.315 4.785 4.470 0.000 0.000 0.270 827 S C 0.568 175.179 174.600 0.020 0.000 1.346 827 S CA -0.665 57.556 58.200 0.034 0.000 1.018 827 S CB 0.124 63.337 63.200 0.022 0.000 0.899 827 S HN 0.554 nan 8.310 nan 0.000 0.542 828 I N 2.597 123.182 120.570 0.025 0.000 2.587 828 I HA 0.172 4.342 4.170 0.000 0.000 0.284 828 I C -1.993 174.127 176.117 0.006 0.000 1.134 828 I CA -1.671 59.639 61.300 0.017 0.000 1.410 828 I CB -0.201 37.812 38.000 0.021 0.000 1.392 828 I HN 0.480 nan 8.210 nan 0.000 0.545 829 P HA 0.032 nan 4.420 nan 0.000 0.266 829 P C 0.611 177.910 177.300 -0.003 0.000 1.195 829 P CA 0.048 63.143 63.100 -0.008 0.000 0.768 829 P CB 0.638 32.330 31.700 -0.013 0.000 0.838 830 T N 0.192 114.744 114.554 -0.004 0.000 2.770 830 T HA -0.088 4.262 4.350 0.000 0.000 0.263 830 T C 0.944 175.643 174.700 -0.002 0.000 1.039 830 T CA 1.482 63.581 62.100 -0.002 0.000 1.142 830 T CB -0.335 68.531 68.868 -0.003 0.000 0.868 830 T HN 0.457 nan 8.240 nan 0.000 0.435 831 D N 0.436 120.834 120.400 -0.004 0.000 2.262 831 D HA 0.058 4.699 4.640 0.000 0.000 0.212 831 D C 1.037 177.335 176.300 -0.003 0.000 0.964 831 D CA 0.585 54.583 54.000 -0.004 0.000 0.875 831 D CB -0.009 40.788 40.800 -0.005 0.000 0.996 831 D HN 0.337 nan 8.370 nan 0.000 0.497 832 N N 0.913 119.610 118.700 -0.005 0.000 2.844 832 N HA 0.097 4.837 4.740 0.000 0.000 0.268 832 N C -2.025 173.484 175.510 -0.002 0.000 1.574 832 N CA -1.466 51.582 53.050 -0.003 0.000 0.838 832 N CB 1.530 40.013 38.487 -0.006 0.000 1.177 832 N HN -0.214 nan 8.380 nan 0.000 0.495 833 P HA -0.157 nan 4.420 nan 0.000 0.218 833 P C 1.106 178.415 177.300 0.014 0.000 1.146 833 P CA 0.939 64.044 63.100 0.007 0.000 0.813 833 P CB 0.220 31.927 31.700 0.011 0.000 0.778 834 A N -0.035 122.795 122.820 0.016 0.000 2.178 834 A HA 0.036 4.356 4.320 0.000 0.000 0.218 834 A C 2.320 179.925 177.584 0.034 0.000 1.157 834 A CA 1.575 53.629 52.037 0.027 0.000 0.689 834 A CB -1.459 17.555 19.000 0.024 0.000 0.787 834 A HN 0.346 nan 8.150 nan 0.000 0.465 835 G N -1.456 107.351 108.800 0.012 0.000 3.088 835 G HA2 0.151 4.111 3.960 0.000 0.000 0.217 835 G HA3 0.151 4.111 3.960 0.000 0.000 0.217 835 G C 0.589 175.462 174.900 -0.045 0.000 1.159 835 G CA 0.093 45.188 45.100 -0.008 0.000 0.760 835 G HN 0.578 nan 8.290 nan 0.000 0.550 836 Q N 1.414 121.200 119.800 -0.024 0.000 2.339 836 Q HA 0.097 4.437 4.340 0.000 0.000 0.308 836 Q C 0.280 176.224 176.000 -0.094 0.000 1.097 836 Q CA 0.464 56.242 55.803 -0.042 0.000 1.007 836 Q CB 0.097 28.833 28.738 -0.003 0.000 1.051 836 Q HN 0.616 nan 8.270 nan 0.000 0.381 837 R N 3.008 123.412 120.500 -0.159 0.000 2.728 837 R HA 0.498 4.838 4.340 0.000 0.000 0.274 837 R C -1.648 174.500 176.300 -0.254 0.000 1.032 837 R CA -0.886 55.056 56.100 -0.263 0.000 0.866 837 R CB 0.775 30.755 30.300 -0.534 0.000 1.263 837 R HN 0.468 nan 8.270 nan 0.000 0.475 838 I N 2.118 122.518 120.570 -0.282 0.000 2.465 838 I HA 0.414 4.585 4.170 0.000 0.000 0.291 838 I C -0.298 175.542 176.117 -0.461 0.000 1.014 838 I CA -1.181 59.871 61.300 -0.412 0.000 1.093 838 I CB 2.156 39.832 38.000 -0.539 0.000 1.267 838 I HN 0.433 nan 8.210 nan 0.000 0.431 839 I N 5.968 126.266 120.570 -0.454 0.000 2.312 839 I HA 0.292 4.462 4.170 0.000 0.000 0.290 839 I C -0.824 175.045 176.117 -0.413 0.000 1.008 839 I CA -0.293 60.818 61.300 -0.315 0.000 1.226 839 I CB 0.567 38.454 38.000 -0.189 0.000 1.371 839 I HN 0.292 nan 8.210 nan 0.000 0.468 840 F N 5.621 125.536 119.950 -0.058 0.000 2.415 840 F HA 0.483 5.010 4.527 0.000 0.000 0.348 840 F C 0.264 176.051 175.800 -0.022 0.000 1.119 840 F CA -0.511 57.464 58.000 -0.040 0.000 1.069 840 F CB 1.381 40.361 39.000 -0.032 0.000 1.124 840 F HN 0.391 nan 8.300 nan 0.000 0.472 841 C N 2.132 121.510 119.300 0.130 0.000 2.609 841 C HA 0.655 5.115 4.460 0.000 0.000 0.313 841 C C 1.228 176.256 174.990 0.063 0.000 1.175 841 C CA -0.381 58.681 59.018 0.074 0.000 1.434 841 C CB 0.875 28.631 27.740 0.027 0.000 2.005 841 C HN 1.024 nan 8.230 nan 0.000 0.471 842 G N 2.604 111.434 108.800 0.051 0.000 2.920 842 G HA2 0.436 4.397 3.960 0.000 0.000 0.208 842 G HA3 0.436 4.397 3.960 0.000 0.000 0.208 842 G C 0.605 175.519 174.900 0.022 0.000 1.159 842 G CA 0.815 45.936 45.100 0.034 0.000 0.784 842 G HN 1.158 nan 8.290 nan 0.000 0.535 843 G N -0.314 108.499 108.800 0.021 0.000 3.108 843 G HA2 0.474 4.434 3.960 0.000 0.000 0.268 843 G HA3 0.474 4.434 3.960 0.000 0.000 0.268 843 G C 0.503 175.410 174.900 0.012 0.000 1.361 843 G CA 0.102 45.211 45.100 0.014 0.000 1.047 843 G HN 0.203 nan 8.290 nan 0.000 0.540 844 E N -1.540 118.666 120.200 0.010 0.000 2.442 844 E HA 0.314 4.664 4.350 0.000 0.000 0.195 844 E C 0.961 177.566 176.600 0.009 0.000 1.030 844 E CA 0.334 56.740 56.400 0.011 0.000 0.869 844 E CB 0.369 30.076 29.700 0.011 0.000 0.857 844 E HN 0.534 nan 8.360 nan 0.000 0.505 845 G N 0.153 108.956 108.800 0.005 0.000 2.733 845 G HA2 0.280 4.240 3.960 0.000 0.000 0.288 845 G HA3 0.280 4.240 3.960 0.000 0.000 0.288 845 G C 0.576 175.471 174.900 -0.007 0.000 1.373 845 G CA -0.049 45.051 45.100 0.000 0.000 0.895 845 G HN 0.032 nan 8.290 nan 0.000 0.479 846 T N -2.226 112.320 114.554 -0.014 0.000 2.881 846 T HA -0.016 4.334 4.350 0.000 0.000 0.270 846 T C 1.597 176.291 174.700 -0.011 0.000 1.068 846 T CA 1.298 63.384 62.100 -0.023 0.000 1.131 846 T CB -0.200 68.650 68.868 -0.030 0.000 0.871 846 T HN 0.579 nan 8.240 nan 0.000 0.479 847 S N 1.851 117.549 115.700 -0.003 0.000 2.537 847 S HA 0.200 4.670 4.470 0.000 0.000 0.286 847 S C 1.588 176.194 174.600 0.011 0.000 1.299 847 S CA 0.009 58.212 58.200 0.005 0.000 1.067 847 S CB 0.459 63.663 63.200 0.006 0.000 0.864 847 S HN 0.627 nan 8.310 nan 0.000 0.494 848 S N 3.598 119.309 115.700 0.019 0.000 2.500 848 S HA -0.090 4.380 4.470 0.000 0.000 0.239 848 S C 1.574 176.187 174.600 0.022 0.000 0.989 848 S CA 1.317 59.533 58.200 0.028 0.000 0.951 848 S CB -0.660 62.565 63.200 0.041 0.000 0.759 848 S HN 0.760 nan 8.310 nan 0.000 0.523 849 T N 2.505 117.069 114.554 0.016 0.000 2.962 849 T HA -0.062 4.288 4.350 0.000 0.000 0.270 849 T C 2.011 176.716 174.700 0.009 0.000 1.088 849 T CA 1.746 63.853 62.100 0.012 0.000 1.127 849 T CB -0.671 68.203 68.868 0.010 0.000 0.883 849 T HN 0.903 nan 8.240 nan 0.000 0.493 850 T N -1.467 113.092 114.554 0.010 0.000 3.081 850 T HA 0.469 4.819 4.350 0.000 0.000 0.255 850 T C 0.872 175.578 174.700 0.010 0.000 1.113 850 T CA 0.357 62.462 62.100 0.008 0.000 1.082 850 T CB 0.304 69.176 68.868 0.007 0.000 0.939 850 T HN 0.458 nan 8.240 nan 0.000 0.506 851 G N 0.044 108.852 108.800 0.013 0.000 2.355 851 G HA2 0.524 4.484 3.960 0.000 0.000 0.296 851 G HA3 0.524 4.484 3.960 0.000 0.000 0.296 851 G C -1.029 173.886 174.900 0.024 0.000 1.507 851 G CA -0.601 44.508 45.100 0.015 0.000 0.823 851 G HN 0.489 nan 8.290 nan 0.000 0.569 852 A N -0.105 122.729 122.820 0.023 0.000 2.498 852 A HA 0.599 4.919 4.320 0.000 0.000 0.239 852 A C 0.378 178.002 177.584 0.068 0.000 1.068 852 A CA 0.552 52.611 52.037 0.038 0.000 0.766 852 A CB 0.232 19.245 19.000 0.022 0.000 1.003 852 A HN 0.679 nan 8.150 nan 0.000 0.497 853 Q N 0.449 120.308 119.800 0.098 0.000 2.397 853 Q HA 0.649 4.989 4.340 0.000 0.000 0.275 853 Q C -1.457 174.633 176.000 0.149 0.000 1.090 853 Q CA -0.422 55.449 55.803 0.113 0.000 0.809 853 Q CB 2.572 31.360 28.738 0.082 0.000 1.362 853 Q HN 0.716 nan 8.270 nan 0.000 0.431 854 I N 1.351 122.018 120.570 0.161 0.000 2.466 854 I HA 0.363 4.533 4.170 0.000 0.000 0.289 854 I C -0.733 175.483 176.117 0.164 0.000 1.026 854 I CA -0.496 60.874 61.300 0.117 0.000 1.078 854 I CB 2.306 40.358 38.000 0.085 0.000 1.249 854 I HN 0.475 nan 8.210 nan 0.000 0.429 855 T N 7.125 121.721 114.554 0.071 0.000 2.770 855 T HA 0.525 4.875 4.350 0.000 0.000 0.283 855 T C -0.231 174.519 174.700 0.085 0.000 0.988 855 T CA -0.469 61.653 62.100 0.037 0.000 0.957 855 T CB 0.915 69.767 68.868 -0.027 0.000 0.930 855 T HN 0.265 nan 8.240 nan 0.000 0.443 856 L N 4.146 125.419 121.223 0.083 0.000 2.257 856 L HA 0.462 4.802 4.340 0.000 0.000 0.290 856 L C -0.586 176.322 176.870 0.063 0.000 1.044 856 L CA -0.971 53.949 54.840 0.132 0.000 0.810 856 L CB 0.448 42.612 42.059 0.175 0.000 1.193 856 L HN 0.649 nan 8.230 nan 0.000 0.425 857 Y N 1.217 121.513 120.300 -0.007 0.000 2.304 857 Y HA 0.371 4.921 4.550 0.000 0.000 0.328 857 Y C 1.271 177.175 175.900 0.008 0.000 1.123 857 Y CA -0.511 57.586 58.100 -0.006 0.000 1.218 857 Y CB 1.391 39.844 38.460 -0.011 0.000 1.207 857 Y HN 0.644 nan 8.280 nan 0.000 0.495 858 G N 0.617 109.488 108.800 0.118 0.000 2.569 858 G HA2 0.291 4.252 3.960 0.000 0.000 0.249 858 G HA3 0.291 4.252 3.960 0.000 0.000 0.249 858 G C 0.788 175.748 174.900 0.099 0.000 1.216 858 G CA -0.077 45.076 45.100 0.089 0.000 0.845 858 G HN 0.897 nan 8.290 nan 0.000 0.568 859 A N 0.866 123.732 122.820 0.075 0.000 2.070 859 A HA -0.090 4.230 4.320 0.000 0.000 0.220 859 A C 2.020 179.635 177.584 0.051 0.000 1.159 859 A CA 1.671 53.743 52.037 0.059 0.000 0.656 859 A CB -0.320 18.708 19.000 0.047 0.000 0.800 859 A HN 0.690 nan 8.150 nan 0.000 0.453 860 N N -0.071 118.660 118.700 0.051 0.000 2.422 860 N HA -0.011 4.730 4.740 0.000 0.000 0.181 860 N C 0.608 176.148 175.510 0.049 0.000 1.080 860 N CA -0.131 52.944 53.050 0.041 0.000 0.893 860 N CB -0.021 38.486 38.487 0.032 0.000 0.973 860 N HN 0.418 nan 8.380 nan 0.000 0.456 861 N N 0.744 119.489 118.700 0.074 0.000 2.441 861 N HA -0.033 4.707 4.740 0.000 0.000 0.251 861 N C 0.643 176.203 175.510 0.083 0.000 1.242 861 N CA 0.520 53.632 53.050 0.104 0.000 0.898 861 N CB 0.766 39.380 38.487 0.212 0.000 1.100 861 N HN 0.036 nan 8.380 nan 0.000 0.443 862 T N 0.921 115.520 114.554 0.075 0.000 2.721 862 T HA -0.153 4.197 4.350 0.000 0.000 0.268 862 T C -0.049 174.668 174.700 0.028 0.000 1.038 862 T CA 1.241 63.369 62.100 0.046 0.000 1.145 862 T CB -0.083 68.811 68.868 0.044 0.000 0.858 862 T HN 0.518 nan 8.240 nan 0.000 0.459 863 D N 2.121 122.544 120.400 0.038 0.000 2.518 863 D HA 0.246 4.886 4.640 0.000 0.000 0.230 863 D C -0.423 175.856 176.300 -0.036 0.000 1.138 863 D CA 0.029 53.988 54.000 -0.068 0.000 0.964 863 D CB 0.667 41.312 40.800 -0.259 0.000 1.011 863 D HN 0.105 nan 8.370 nan 0.000 0.517 864 S N 1.403 117.102 115.700 -0.001 0.000 2.515 864 S HA -0.028 4.443 4.470 0.000 0.000 0.285 864 S C 1.034 175.646 174.600 0.020 0.000 1.265 864 S CA -0.011 58.208 58.200 0.031 0.000 1.079 864 S CB 0.064 63.277 63.200 0.021 0.000 0.877 864 S HN 0.469 nan 8.310 nan 0.000 0.493 865 R N 0.666 121.206 120.500 0.067 0.000 3.863 865 R HA -0.199 4.141 4.340 0.000 0.000 0.313 865 R C 0.310 176.626 176.300 0.026 0.000 1.202 865 R CA 0.973 57.112 56.100 0.065 0.000 0.852 865 R CB -1.645 28.679 30.300 0.039 0.000 1.292 865 R HN 0.747 nan 8.270 nan 0.000 0.519 866 R N 1.528 121.996 120.500 -0.053 0.000 2.643 866 R HA 0.277 4.617 4.340 0.000 0.000 0.270 866 R C -0.160 176.108 176.300 -0.054 0.000 1.061 866 R CA 0.261 56.236 56.100 -0.209 0.000 1.107 866 R CB 0.487 30.387 30.300 -0.667 0.000 0.999 866 R HN 0.187 nan 8.270 nan 0.000 0.460 867 I N 4.126 124.651 120.570 -0.074 0.000 2.465 867 I HA 0.265 4.435 4.170 0.000 0.000 0.291 867 I C -0.813 175.192 176.117 -0.186 0.000 1.014 867 I CA -1.121 60.110 61.300 -0.115 0.000 1.093 867 I CB 2.195 40.037 38.000 -0.263 0.000 1.267 867 I HN 0.311 nan 8.210 nan 0.000 0.431 868 V N 6.646 126.492 119.914 -0.113 0.000 2.384 868 V HA 0.345 4.466 4.120 0.000 0.000 0.287 868 V C -0.963 175.061 176.094 -0.118 0.000 1.020 868 V CA -0.630 61.652 62.300 -0.031 0.000 0.850 868 V CB 1.185 33.084 31.823 0.127 0.000 0.987 868 V HN 0.420 nan 8.190 nan 0.000 0.436 869 Y N 3.244 123.612 120.300 0.114 0.000 2.353 869 Y HA 0.415 4.966 4.550 0.000 0.000 0.340 869 Y C 0.513 176.574 175.900 0.268 0.000 0.972 869 Y CA -0.328 57.860 58.100 0.147 0.000 1.157 869 Y CB 0.949 39.416 38.460 0.010 0.000 1.157 869 Y HN 0.636 nan 8.280 nan 0.000 0.495 870 N N 2.623 121.556 118.700 0.389 0.000 2.569 870 N HA 0.603 5.343 4.740 0.000 0.000 0.254 870 N C -0.703 174.918 175.510 0.185 0.000 1.004 870 N CA -0.280 52.944 53.050 0.290 0.000 0.904 870 N CB 0.624 39.215 38.487 0.172 0.000 1.165 870 N HN 0.893 nan 8.380 nan 0.000 0.513 871 G N 1.064 109.892 108.800 0.047 0.000 2.694 871 G HA2 0.167 4.127 3.960 0.000 0.000 0.290 871 G HA3 0.167 4.127 3.960 0.000 0.000 0.290 871 G C -0.312 174.444 174.900 -0.240 0.000 1.386 871 G CA -0.387 44.608 45.100 -0.175 0.000 0.872 871 G HN 0.416 nan 8.290 nan 0.000 0.475 872 D N -0.352 119.950 120.400 -0.164 0.000 2.347 872 D HA 0.128 4.768 4.640 0.000 0.000 0.213 872 D C 0.407 176.619 176.300 -0.146 0.000 0.985 872 D CA 0.967 54.898 54.000 -0.115 0.000 0.879 872 D CB 0.658 41.422 40.800 -0.059 0.000 0.919 872 D HN 0.505 nan 8.370 nan 0.000 0.526 873 E N -0.357 119.704 120.200 -0.232 0.000 2.308 873 E HA 0.247 4.598 4.350 0.000 0.000 0.275 873 E C -0.866 175.529 176.600 -0.341 0.000 0.890 873 E CA -0.642 55.636 56.400 -0.203 0.000 0.754 873 E CB 2.033 31.668 29.700 -0.108 0.000 1.207 873 E HN 0.063 nan 8.360 nan 0.000 0.426 874 H N 2.921 121.985 119.070 -0.011 0.000 2.685 874 H HA 0.356 4.912 4.556 0.000 0.000 0.307 874 H C -0.802 174.459 175.328 -0.112 0.000 1.017 874 H CA -0.418 55.581 56.048 -0.082 0.000 1.237 874 H CB 0.615 30.388 29.762 0.020 0.000 1.409 874 H HN 0.288 nan 8.280 nan 0.000 0.488 875 L N 4.180 125.314 121.223 -0.148 0.000 2.319 875 L HA 0.343 4.684 4.340 0.000 0.000 0.281 875 L C -0.542 176.172 176.870 -0.260 0.000 1.005 875 L CA -0.655 54.122 54.840 -0.104 0.000 0.828 875 L CB 1.055 43.075 42.059 -0.065 0.000 1.227 875 L HN 0.337 nan 8.230 nan 0.000 0.415 876 F N 2.274 122.226 119.950 0.003 0.000 2.371 876 F HA 0.359 4.886 4.527 0.000 0.000 0.363 876 F C 0.565 176.360 175.800 -0.009 0.000 1.122 876 F CA -0.128 57.867 58.000 -0.009 0.000 1.129 876 F CB 1.173 40.156 39.000 -0.027 0.000 1.173 876 F HN 0.485 nan 8.300 nan 0.000 0.489 877 Q N 1.548 121.408 119.800 0.101 0.000 2.274 877 Q HA 0.405 4.745 4.340 0.000 0.000 0.260 877 Q C 0.466 176.507 176.000 0.067 0.000 0.974 877 Q CA -0.143 55.696 55.803 0.060 0.000 0.876 877 Q CB 1.416 30.163 28.738 0.015 0.000 1.297 877 Q HN 0.837 nan 8.270 nan 0.000 0.446 878 S N -0.470 115.259 115.700 0.048 0.000 2.691 878 S HA -0.229 4.241 4.470 0.000 0.000 0.262 878 S C -0.451 174.170 174.600 0.036 0.000 1.284 878 S CA 0.897 59.118 58.200 0.036 0.000 1.372 878 S CB -1.577 61.641 63.200 0.030 0.000 1.693 878 S HN 0.989 nan 8.310 nan 0.000 0.647 879 A N 0.375 123.224 122.820 0.049 0.000 2.608 879 A HA 0.592 4.912 4.320 0.000 0.000 0.292 879 A C -1.483 176.115 177.584 0.022 0.000 1.066 879 A CA -0.742 51.315 52.037 0.032 0.000 0.676 879 A CB 0.795 19.816 19.000 0.034 0.000 1.277 879 A HN 0.071 nan 8.150 nan 0.000 0.413 880 D N 0.652 121.047 120.400 -0.009 0.000 2.449 880 D HA 0.265 4.905 4.640 0.000 0.000 0.236 880 D C 0.070 176.319 176.300 -0.084 0.000 1.149 880 D CA 0.382 54.356 54.000 -0.042 0.000 0.878 880 D CB 0.856 41.629 40.800 -0.046 0.000 1.198 880 D HN 0.198 nan 8.370 nan 0.000 0.446 881 V N 3.518 123.336 119.914 -0.161 0.000 2.372 881 V HA 0.125 4.245 4.120 0.000 0.000 0.261 881 V C 0.644 176.620 176.094 -0.197 0.000 1.055 881 V CA 0.042 62.165 62.300 -0.296 0.000 0.930 881 V CB 0.038 31.561 31.823 -0.500 0.000 1.031 881 V HN 0.283 nan 8.190 nan 0.000 0.479 882 K N 5.358 125.671 120.400 -0.145 0.000 2.385 882 K HA 0.636 4.956 4.320 0.000 0.000 0.248 882 K C -2.517 174.053 176.600 -0.051 0.000 0.955 882 K CA -1.637 54.598 56.287 -0.087 0.000 0.816 882 K CB 2.336 34.797 32.500 -0.066 0.000 1.250 882 K HN 0.435 nan 8.250 nan 0.000 0.434 883 P HA 0.084 nan 4.420 nan 0.000 0.278 883 P C 0.055 177.391 177.300 0.060 0.000 1.238 883 P CA -0.308 62.809 63.100 0.028 0.000 0.794 883 P CB 0.607 32.319 31.700 0.021 0.000 0.955 884 Y N 2.608 122.900 120.300 -0.014 0.000 2.163 884 Y HA -0.150 4.400 4.550 0.000 0.000 0.288 884 Y C 0.652 176.548 175.900 -0.007 0.000 1.136 884 Y CA 1.380 59.476 58.100 -0.007 0.000 1.147 884 Y CB -0.013 38.448 38.460 0.002 0.000 0.987 884 Y HN 0.427 nan 8.280 nan 0.000 0.509 885 N N 0.186 119.008 118.700 0.203 0.000 2.482 885 N HA 0.145 4.886 4.740 0.000 0.000 0.279 885 N C -1.597 173.934 175.510 0.034 0.000 1.182 885 N CA -0.605 52.504 53.050 0.099 0.000 0.969 885 N CB 0.702 39.275 38.487 0.143 0.000 1.201 885 N HN 0.046 nan 8.380 nan 0.000 0.523 886 D N 0.261 120.668 120.400 0.012 0.000 2.280 886 D HA 0.184 4.825 4.640 0.000 0.000 0.243 886 D C -0.504 175.800 176.300 0.008 0.000 1.129 886 D CA 0.014 54.013 54.000 -0.001 0.000 0.848 886 D CB 0.108 40.901 40.800 -0.012 0.000 1.107 886 D HN 0.506 nan 8.370 nan 0.000 0.471 887 N N 2.915 121.618 118.700 0.005 0.000 2.758 887 N HA -0.174 4.566 4.740 0.000 0.000 0.248 887 N C -0.404 175.113 175.510 0.012 0.000 1.076 887 N CA 0.947 54.001 53.050 0.006 0.000 0.696 887 N CB -1.023 37.465 38.487 0.002 0.000 0.979 887 N HN 0.246 nan 8.380 nan 0.000 0.550 888 V N -1.866 118.059 119.914 0.019 0.000 3.137 888 V HA 0.221 4.341 4.120 0.000 0.000 0.236 888 V C 1.041 177.148 176.094 0.022 0.000 1.260 888 V CA 1.396 63.710 62.300 0.023 0.000 1.244 888 V CB 0.739 32.582 31.823 0.033 0.000 1.016 888 V HN 0.600 nan 8.190 nan 0.000 0.477 889 T N -0.897 113.673 114.554 0.025 0.000 2.950 889 T HA 0.863 5.214 4.350 0.000 0.000 0.288 889 T C -0.372 174.342 174.700 0.022 0.000 1.035 889 T CA -0.098 62.017 62.100 0.025 0.000 1.028 889 T CB 2.427 71.314 68.868 0.031 0.000 1.109 889 T HN 0.360 nan 8.240 nan 0.000 0.514 890 A N 1.146 123.981 122.820 0.026 0.000 2.313 890 A HA 0.812 5.132 4.320 0.000 0.000 0.323 890 A C -0.643 176.976 177.584 0.057 0.000 1.133 890 A CA -1.134 50.923 52.037 0.034 0.000 0.847 890 A CB 0.834 19.852 19.000 0.030 0.000 1.308 890 A HN 0.877 nan 8.150 nan 0.000 0.475 891 L N 1.654 122.929 121.223 0.085 0.000 2.257 891 L HA 0.563 4.904 4.340 0.000 0.000 0.290 891 L C 0.979 177.988 176.870 0.231 0.000 1.044 891 L CA 0.682 55.637 54.840 0.191 0.000 0.810 891 L CB 0.605 42.752 42.059 0.146 0.000 1.193 891 L HN 1.344 nan 8.230 nan 0.000 0.425 892 G N 2.690 111.598 108.800 0.180 0.000 2.741 892 G HA2 0.149 4.109 3.960 0.000 0.000 0.222 892 G HA3 0.149 4.109 3.960 0.000 0.000 0.222 892 G C -0.253 174.627 174.900 -0.033 0.000 1.364 892 G CA -0.451 44.618 45.100 -0.052 0.000 0.866 892 G HN 1.091 nan 8.290 nan 0.000 0.555 893 G N -2.541 106.221 108.800 -0.065 0.000 2.559 893 G HA2 0.746 4.706 3.960 0.000 0.000 0.291 893 G HA3 0.746 4.706 3.960 0.000 0.000 0.291 893 G C -2.139 172.736 174.900 -0.042 0.000 1.424 893 G CA 0.386 45.461 45.100 -0.040 0.000 0.786 893 G HN 0.618 nan 8.290 nan 0.000 0.485 894 P HA 0.061 nan 4.420 nan 0.000 0.220 894 P C 1.386 178.667 177.300 -0.031 0.000 1.148 894 P CA 1.158 64.244 63.100 -0.023 0.000 0.803 894 P CB 0.422 32.112 31.700 -0.016 0.000 0.782 895 S N -1.617 114.059 115.700 -0.040 0.000 2.539 895 S HA 0.165 4.636 4.470 0.000 0.000 0.221 895 S C 0.258 174.819 174.600 -0.064 0.000 0.987 895 S CA -0.116 58.059 58.200 -0.042 0.000 0.929 895 S CB -0.447 62.732 63.200 -0.036 0.000 0.832 895 S HN 0.165 nan 8.310 nan 0.000 0.492 896 N N 1.586 120.231 118.700 -0.090 0.000 2.711 896 N HA 0.279 5.019 4.740 0.000 0.000 0.263 896 N C -0.973 174.411 175.510 -0.210 0.000 1.667 896 N CA -0.338 52.621 53.050 -0.152 0.000 0.785 896 N CB 0.786 39.169 38.487 -0.173 0.000 1.231 896 N HN 0.001 nan 8.380 nan 0.000 0.503 897 R N 0.372 120.787 120.500 -0.141 0.000 2.390 897 R HA 0.373 4.713 4.340 0.000 0.000 0.291 897 R C -0.433 175.793 176.300 -0.123 0.000 1.070 897 R CA -0.266 55.775 56.100 -0.100 0.000 1.014 897 R CB 0.665 30.952 30.300 -0.022 0.000 1.007 897 R HN 0.233 nan 8.270 nan 0.000 0.466 898 F N 0.623 120.578 119.950 0.010 0.000 2.429 898 F HA 0.006 4.533 4.527 0.000 0.000 0.348 898 F C 2.059 177.868 175.800 0.014 0.000 1.109 898 F CA 0.153 58.164 58.000 0.019 0.000 1.232 898 F CB 1.196 40.206 39.000 0.016 0.000 1.157 898 F HN 0.674 nan 8.300 nan 0.000 0.564 899 T N -1.940 112.753 114.554 0.232 0.000 2.788 899 T HA -0.054 4.296 4.350 0.000 0.000 0.268 899 T C 0.727 175.476 174.700 0.082 0.000 1.044 899 T CA 1.493 63.669 62.100 0.127 0.000 1.139 899 T CB -0.120 68.822 68.868 0.124 0.000 0.867 899 T HN 0.668 nan 8.240 nan 0.000 0.454 900 T N -0.641 113.962 114.554 0.081 0.000 2.677 900 T HA 0.558 4.908 4.350 0.000 0.000 0.305 900 T C -2.327 172.332 174.700 -0.067 0.000 1.569 900 T CA -0.293 61.781 62.100 -0.042 0.000 0.984 900 T CB 1.033 69.789 68.868 -0.185 0.000 1.629 900 T HN 0.651 nan 8.240 nan 0.000 0.494 901 A N 1.462 124.186 122.820 -0.159 0.000 2.343 901 A HA 0.742 5.062 4.320 0.000 0.000 0.308 901 A C -1.740 175.715 177.584 -0.213 0.000 1.092 901 A CA -0.447 51.505 52.037 -0.142 0.000 0.751 901 A CB 0.627 19.556 19.000 -0.119 0.000 1.203 901 A HN 0.706 nan 8.150 nan 0.000 0.452 902 Y N 2.584 122.855 120.300 -0.048 0.000 2.425 902 Y HA 0.524 5.074 4.550 0.000 0.000 0.347 902 Y C 0.115 175.993 175.900 -0.037 0.000 0.976 902 Y CA 0.273 58.354 58.100 -0.032 0.000 1.190 902 Y CB 0.785 39.232 38.460 -0.022 0.000 1.136 902 Y HN 0.510 nan 8.280 nan 0.000 0.517 903 L N 1.191 122.454 121.223 0.068 0.000 2.333 903 L HA 0.567 4.907 4.340 0.000 0.000 0.263 903 L C 1.094 177.985 176.870 0.034 0.000 1.014 903 L CA -0.854 54.004 54.840 0.030 0.000 0.820 903 L CB 2.156 44.208 42.059 -0.012 0.000 1.352 903 L HN 0.697 nan 8.230 nan 0.000 0.421 904 G N -0.162 108.651 108.800 0.021 0.000 3.042 904 G HA2 0.199 4.159 3.960 0.000 0.000 0.212 904 G HA3 0.199 4.159 3.960 0.000 0.000 0.212 904 G C 0.262 175.166 174.900 0.007 0.000 1.166 904 G CA 0.686 45.796 45.100 0.017 0.000 0.767 904 G HN 0.595 nan 8.290 nan 0.000 0.546 905 S N -0.909 114.791 115.700 -0.001 0.000 2.587 905 S HA 0.362 4.832 4.470 0.000 0.000 0.269 905 S C -1.136 173.456 174.600 -0.013 0.000 1.154 905 S CA -1.042 57.154 58.200 -0.006 0.000 0.824 905 S CB 1.141 64.337 63.200 -0.007 0.000 1.118 905 S HN -0.034 nan 8.310 nan 0.000 0.462 906 N N 1.906 120.597 118.700 -0.015 0.000 2.374 906 N HA 0.309 5.049 4.740 0.000 0.000 0.241 906 N C -2.503 172.995 175.510 -0.020 0.000 1.262 906 N CA -0.538 52.501 53.050 -0.019 0.000 0.880 906 N CB -0.540 37.937 38.487 -0.017 0.000 1.105 906 N HN 0.515 nan 8.380 nan 0.000 0.438 907 P HA 0.099 nan 4.420 nan 0.000 0.266 907 P C -0.170 177.118 177.300 -0.019 0.000 1.195 907 P CA 0.276 63.361 63.100 -0.024 0.000 0.768 907 P CB 0.464 32.149 31.700 -0.025 0.000 0.838 908 I N 2.763 123.321 120.570 -0.019 0.000 2.291 908 I HA 0.175 4.345 4.170 0.000 0.000 0.290 908 I C 0.402 176.510 176.117 -0.016 0.000 1.050 908 I CA -0.706 60.584 61.300 -0.016 0.000 1.245 908 I CB 0.769 38.759 38.000 -0.017 0.000 1.405 908 I HN 0.095 nan 8.210 nan 0.000 0.478 909 V N 4.685 124.591 119.914 -0.013 0.000 2.483 909 V HA 0.712 4.833 4.120 0.000 0.000 0.295 909 V C -0.326 175.762 176.094 -0.010 0.000 1.035 909 V CA 0.371 62.664 62.300 -0.012 0.000 0.896 909 V CB 1.852 33.669 31.823 -0.010 0.000 0.986 909 V HN 0.740 nan 8.190 nan 0.000 0.447 910 T N 0.000 114.548 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.350 4.350 0.000 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