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 3h72_1_B DATA FIRST_RESID 317 DATA SEQUENCE LPEGAALTEK TDIFESGRNG KPNKDGIKSY RIPALLKTDK GTLIAGADER DATA SEQUENCE RLHSSDWGDI GMVIRRSEDN GKTWGDRVTI TNLRDNPKAS DPSIGSPVNI DATA SEQUENCE DMVLVQDPET KRIFSIYDMF PEGKGIFGMS SQKEEAYKKI DGKTYQILYR DATA SEQUENCE EGEKGAYTIR ENGTVYTPDG KATDYRVVVD PVKPAYSDKG DLYKGNQLLG DATA SEQUENCE NIYFTTNKTS PFRIAKDSYL WMSYSDDDGK TWSAPQDITP MVKADWMKFL DATA SEQUENCE GVGPGTGIVL RNGPHKGRIL IPVYTTNNVS HLNGSQSSRI IYSDDHGKTW DATA SEQUENCE HAGEAVNDNR QVDGQKIHSS TMNNRRAQNT ESTVVQLNNG DVKLFMRGLT DATA SEQUENCE GDLQVATSKD GGVTWEKDIK RYPQVKDVYV QMSAIHTMHE GKEYIILSNA DATA SEQUENCE GGPKRENGMV HLARVEENGE LTWLKHNPIQ KGEFAYNSLQ ELGNGEYGIL DATA SEQUENCE YEHTEKGQNA YTLSFRKFNW DFLSKDL 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 317 L HA 0.000 nan 4.340 nan 0.000 0.249 317 L C 0.000 176.886 176.870 0.027 0.000 1.165 317 L CA 0.000 54.861 54.840 0.035 0.000 0.813 317 L CB 0.000 42.080 42.059 0.035 0.000 0.961 318 P HA 0.362 nan 4.420 nan 0.000 0.274 318 P C -0.600 176.720 177.300 0.034 0.000 1.246 318 P CA -0.067 63.042 63.100 0.015 0.000 0.795 318 P CB 1.032 32.728 31.700 -0.006 0.000 1.006 319 E N -0.171 120.047 120.200 0.030 0.000 2.373 319 E HA 0.329 4.679 4.350 0.001 0.000 0.267 319 E C 1.317 177.948 176.600 0.051 0.000 1.032 319 E CA 0.564 56.987 56.400 0.039 0.000 0.889 319 E CB 0.308 30.027 29.700 0.032 0.000 0.984 319 E HN 0.828 nan 8.360 nan 0.000 0.425 320 G N 1.865 110.702 108.800 0.062 0.000 2.336 320 G HA2 -0.301 3.659 3.960 0.001 0.000 0.233 320 G HA3 -0.301 3.659 3.960 0.001 0.000 0.233 320 G C 0.500 175.462 174.900 0.103 0.000 1.053 320 G CA 0.072 45.219 45.100 0.079 0.000 0.625 320 G HN 0.841 nan 8.290 nan 0.000 0.511 321 A N 0.469 123.351 122.820 0.104 0.000 2.401 321 A HA 0.867 5.188 4.320 0.001 0.000 0.259 321 A C 0.493 178.172 177.584 0.158 0.000 1.103 321 A CA 1.237 53.368 52.037 0.157 0.000 0.789 321 A CB 0.739 19.832 19.000 0.156 0.000 1.035 321 A HN 2.185 nan 8.150 nan 0.000 0.491 322 A N 1.766 124.693 122.820 0.180 0.000 2.393 322 A HA 0.710 5.031 4.320 0.001 0.000 0.306 322 A C -1.223 176.361 177.584 -0.000 0.000 1.050 322 A CA -0.416 51.677 52.037 0.092 0.000 0.724 322 A CB 1.307 20.357 19.000 0.083 0.000 1.248 322 A HN 1.742 nan 8.150 nan 0.000 0.424 323 L N 2.400 123.553 121.223 -0.117 0.000 2.541 323 L HA 0.536 4.877 4.340 0.001 0.000 0.266 323 L C 0.382 177.166 176.870 -0.144 0.000 0.966 323 L CA 0.200 54.857 54.840 -0.304 0.000 0.871 323 L CB 1.717 43.342 42.059 -0.723 0.000 1.232 323 L HN 0.955 nan 8.230 nan 0.000 0.408 324 T N 0.616 115.125 114.554 -0.075 0.000 2.795 324 T HA 0.336 4.687 4.350 0.001 0.000 0.314 324 T C 0.331 175.021 174.700 -0.016 0.000 1.069 324 T CA -0.534 61.559 62.100 -0.011 0.000 1.071 324 T CB 0.498 69.395 68.868 0.050 0.000 0.988 324 T HN 0.574 nan 8.240 nan 0.000 0.543 325 E N 0.718 120.931 120.200 0.021 0.000 2.374 325 E HA 0.154 4.505 4.350 0.001 0.000 0.260 325 E C 0.177 176.812 176.600 0.058 0.000 1.101 325 E CA -0.519 55.898 56.400 0.028 0.000 0.907 325 E CB 0.627 30.350 29.700 0.037 0.000 1.014 325 E HN 0.692 nan 8.360 nan 0.000 0.427 326 K N 0.897 121.336 120.400 0.065 0.000 2.472 326 K HA 0.006 4.327 4.320 0.001 0.000 0.280 326 K C -0.761 175.884 176.600 0.076 0.000 1.028 326 K CA 0.612 56.952 56.287 0.088 0.000 1.045 326 K CB 0.244 32.807 32.500 0.104 0.000 0.902 326 K HN 0.225 nan 8.250 nan 0.000 0.478 327 T N 5.037 119.641 114.554 0.083 0.000 2.833 327 T HA 0.151 4.502 4.350 0.001 0.000 0.297 327 T C -1.311 173.363 174.700 -0.044 0.000 1.015 327 T CA -0.880 61.263 62.100 0.072 0.000 0.963 327 T CB 0.811 69.797 68.868 0.197 0.000 0.955 327 T HN 0.526 nan 8.240 nan 0.000 0.449 328 D N 3.483 123.833 120.400 -0.084 0.000 2.348 328 D HA 0.161 4.802 4.640 0.001 0.000 0.253 328 D C 0.913 177.017 176.300 -0.326 0.000 1.161 328 D CA -0.455 53.444 54.000 -0.168 0.000 0.876 328 D CB 1.168 41.910 40.800 -0.097 0.000 1.160 328 D HN 0.247 nan 8.370 nan 0.000 0.459 329 I N 0.732 121.007 120.570 -0.491 0.000 2.729 329 I HA 0.065 4.236 4.170 0.001 0.000 0.256 329 I C 0.621 176.149 176.117 -0.982 0.000 1.115 329 I CA 0.571 61.343 61.300 -0.879 0.000 1.446 329 I CB -0.304 37.009 38.000 -1.145 0.000 1.176 329 I HN 0.138 nan 8.210 nan 0.000 0.446 330 F N 2.018 121.675 119.950 -0.489 0.000 2.445 330 F HA 0.386 4.914 4.527 0.002 0.000 0.348 330 F C 0.285 175.821 175.800 -0.439 0.000 1.125 330 F CA -0.805 56.747 58.000 -0.745 0.000 0.983 330 F CB 0.902 39.250 39.000 -1.086 0.000 1.198 330 F HN -0.084 nan 8.300 nan 0.000 0.436 331 E N 2.054 122.177 120.200 -0.128 0.000 2.167 331 E HA 0.363 4.713 4.350 0.001 0.000 0.284 331 E C -0.195 176.550 176.600 0.241 0.000 1.016 331 E CA -0.581 55.849 56.400 0.051 0.000 0.817 331 E CB 1.187 30.893 29.700 0.010 0.000 1.080 331 E HN 0.583 nan 8.360 nan 0.000 0.397 332 S N 1.890 117.719 115.700 0.215 0.000 2.645 332 S HA 0.481 4.951 4.470 0.001 0.000 0.266 332 S C 0.765 175.408 174.600 0.071 0.000 1.258 332 S CA -0.673 57.628 58.200 0.169 0.000 0.990 332 S CB 1.280 64.534 63.200 0.091 0.000 0.967 332 S HN 0.506 nan 8.310 nan 0.000 0.556 333 G N -0.035 108.776 108.800 0.018 0.000 2.588 333 G HA2 0.516 4.477 3.960 0.001 0.000 0.278 333 G HA3 0.516 4.477 3.960 0.001 0.000 0.278 333 G C -0.540 174.351 174.900 -0.015 0.000 1.307 333 G CA -1.079 44.020 45.100 -0.002 0.000 1.016 333 G HN 0.793 nan 8.290 nan 0.000 0.503 334 R N -0.447 120.041 120.500 -0.020 0.000 2.750 334 R HA 0.334 4.675 4.340 0.001 0.000 0.281 334 R C -0.438 175.842 176.300 -0.032 0.000 0.972 334 R CA -0.984 55.100 56.100 -0.026 0.000 0.912 334 R CB 1.316 31.607 30.300 -0.016 0.000 1.187 334 R HN 0.536 nan 8.270 nan 0.000 0.464 335 N N 0.874 119.551 118.700 -0.039 0.000 2.716 335 N HA -0.228 4.513 4.740 0.001 0.000 0.250 335 N C 0.630 176.115 175.510 -0.041 0.000 1.033 335 N CA 1.483 54.510 53.050 -0.039 0.000 0.727 335 N CB -0.960 37.510 38.487 -0.029 0.000 0.950 335 N HN 1.158 nan 8.380 nan 0.000 0.541 336 G N -1.525 107.245 108.800 -0.051 0.000 2.179 336 G HA2 -0.362 3.599 3.960 0.001 0.000 0.260 336 G HA3 -0.362 3.599 3.960 0.001 0.000 0.260 336 G C 0.096 174.971 174.900 -0.043 0.000 0.977 336 G CA 0.995 46.064 45.100 -0.051 0.000 0.641 336 G HN 0.557 nan 8.290 nan 0.000 0.533 337 K N 0.684 121.062 120.400 -0.037 0.000 2.123 337 K HA 0.574 4.894 4.320 0.001 0.000 0.248 337 K C -2.476 174.103 176.600 -0.034 0.000 0.969 337 K CA -2.156 54.113 56.287 -0.031 0.000 0.882 337 K CB 1.404 33.890 32.500 -0.023 0.000 1.080 337 K HN -0.006 nan 8.250 nan 0.000 0.441 338 P HA -0.008 nan 4.420 nan 0.000 0.274 338 P C -0.947 176.344 177.300 -0.016 0.000 1.246 338 P CA -0.410 62.668 63.100 -0.036 0.000 0.795 338 P CB 0.444 32.123 31.700 -0.036 0.000 1.006 339 N N 0.530 119.228 118.700 -0.003 0.000 2.431 339 N HA 0.113 4.854 4.740 0.001 0.000 0.289 339 N C 1.016 176.540 175.510 0.023 0.000 1.277 339 N CA -0.780 52.284 53.050 0.024 0.000 0.972 339 N CB 0.490 39.017 38.487 0.067 0.000 1.143 339 N HN 0.289 nan 8.380 nan 0.000 0.578 340 K N -1.133 119.285 120.400 0.031 0.000 2.360 340 K HA -0.122 4.199 4.320 0.001 0.000 0.201 340 K C -0.082 176.535 176.600 0.028 0.000 1.046 340 K CA 1.511 57.813 56.287 0.025 0.000 0.940 340 K CB -0.067 32.448 32.500 0.025 0.000 0.748 340 K HN 0.461 nan 8.250 nan 0.000 0.465 341 D N 0.190 120.616 120.400 0.042 0.000 2.363 341 D HA 0.094 4.735 4.640 0.001 0.000 0.214 341 D C 0.670 176.981 176.300 0.020 0.000 1.093 341 D CA 0.703 54.729 54.000 0.042 0.000 0.837 341 D CB 0.915 41.762 40.800 0.078 0.000 0.948 341 D HN 0.496 nan 8.370 nan 0.000 0.507 342 G N 1.318 110.121 108.800 0.005 0.000 2.137 342 G HA2 -0.230 3.731 3.960 0.001 0.000 0.237 342 G HA3 -0.230 3.731 3.960 0.001 0.000 0.237 342 G C 0.090 174.962 174.900 -0.048 0.000 1.002 342 G CA -0.317 44.772 45.100 -0.018 0.000 0.702 342 G HN 0.237 nan 8.290 nan 0.000 0.515 343 I N 0.114 120.653 120.570 -0.052 0.000 2.354 343 I HA 0.347 4.518 4.170 0.001 0.000 0.292 343 I C 1.184 177.217 176.117 -0.141 0.000 0.989 343 I CA -0.724 60.493 61.300 -0.138 0.000 1.188 343 I CB 1.431 39.312 38.000 -0.197 0.000 1.342 343 I HN 0.018 nan 8.210 nan 0.000 0.457 344 K N 2.477 122.767 120.400 -0.184 0.000 2.098 344 K HA 0.040 4.361 4.320 0.001 0.000 0.203 344 K C 0.727 177.226 176.600 -0.168 0.000 1.051 344 K CA 0.728 56.927 56.287 -0.147 0.000 0.957 344 K CB 0.359 32.776 32.500 -0.137 0.000 0.738 344 K HN 0.614 nan 8.250 nan 0.000 0.447 345 S N -0.761 114.772 115.700 -0.278 0.000 2.569 345 S HA 0.502 4.973 4.470 0.001 0.000 0.280 345 S C -1.836 172.500 174.600 -0.439 0.000 1.111 345 S CA -0.814 57.234 58.200 -0.253 0.000 0.887 345 S CB 0.866 63.937 63.200 -0.214 0.000 1.095 345 S HN 0.084 nan 8.310 nan 0.000 0.476 346 Y N 1.268 121.519 120.300 -0.082 0.000 2.477 346 Y HA 0.728 5.279 4.550 0.001 0.000 0.347 346 Y C 0.601 176.446 175.900 -0.091 0.000 0.981 346 Y CA -0.661 57.367 58.100 -0.120 0.000 1.033 346 Y CB 2.098 40.508 38.460 -0.083 0.000 1.245 346 Y HN 0.677 nan 8.280 nan 0.000 0.455 347 R N 1.934 122.432 120.500 -0.003 0.000 2.766 347 R HA 0.530 4.870 4.340 0.001 0.000 0.270 347 R C -1.469 174.759 176.300 -0.120 0.000 1.035 347 R CA -1.096 54.967 56.100 -0.061 0.000 0.911 347 R CB 2.082 32.317 30.300 -0.109 0.000 1.243 347 R HN 0.648 nan 8.270 nan 0.000 0.460 348 I N 0.091 120.557 120.570 -0.174 0.000 7.356 348 I HA -0.142 4.028 4.170 0.001 0.000 0.126 348 I C -2.309 173.816 176.117 0.013 0.000 1.829 348 I CA -0.187 61.075 61.300 -0.064 0.000 2.068 348 I CB -2.164 35.814 38.000 -0.036 0.000 3.620 348 I HN 0.489 nan 8.210 nan 0.000 0.179 349 P HA 0.476 nan 4.420 nan 0.000 0.275 349 P C -0.351 177.023 177.300 0.123 0.000 1.228 349 P CA -0.111 63.028 63.100 0.065 0.000 0.786 349 P CB 1.991 33.733 31.700 0.070 0.000 0.927 350 A N 3.005 125.907 122.820 0.137 0.000 2.402 350 A HA 0.570 4.891 4.320 0.001 0.000 0.291 350 A C -1.531 176.180 177.584 0.212 0.000 1.051 350 A CA -0.599 51.543 52.037 0.175 0.000 0.716 350 A CB 0.972 20.070 19.000 0.164 0.000 1.223 350 A HN 0.487 nan 8.150 nan 0.000 0.425 351 L N 2.735 124.101 121.223 0.238 0.000 2.341 351 L HA 0.876 5.216 4.340 0.001 0.000 0.278 351 L C -1.382 175.648 176.870 0.268 0.000 1.005 351 L CA -0.751 54.256 54.840 0.278 0.000 0.818 351 L CB 1.615 43.868 42.059 0.325 0.000 1.259 351 L HN 0.701 nan 8.230 nan 0.000 0.418 352 L N 4.477 125.860 121.223 0.267 0.000 2.439 352 L HA 0.578 4.918 4.340 0.001 0.000 0.270 352 L C -1.125 175.867 176.870 0.203 0.000 0.972 352 L CA -0.539 54.444 54.840 0.239 0.000 0.836 352 L CB 1.498 43.706 42.059 0.249 0.000 1.255 352 L HN 0.633 nan 8.230 nan 0.000 0.404 353 K N 3.011 123.519 120.400 0.179 0.000 2.253 353 K HA 0.569 4.890 4.320 0.001 0.000 0.277 353 K C -0.169 176.499 176.600 0.112 0.000 1.053 353 K CA -0.093 56.272 56.287 0.130 0.000 0.892 353 K CB 0.775 33.349 32.500 0.123 0.000 1.102 353 K HN 0.761 nan 8.250 nan 0.000 0.469 354 T N 0.151 114.755 114.554 0.084 0.000 2.881 354 T HA 0.129 4.480 4.350 0.001 0.000 0.278 354 T C 1.046 175.774 174.700 0.046 0.000 0.982 354 T CA -0.227 61.916 62.100 0.071 0.000 0.989 354 T CB 0.887 69.787 68.868 0.053 0.000 1.058 354 T HN 0.689 nan 8.240 nan 0.000 0.529 355 D N 0.391 120.816 120.400 0.041 0.000 2.182 355 D HA -0.187 4.454 4.640 0.001 0.000 0.201 355 D C 1.360 177.665 176.300 0.009 0.000 0.986 355 D CA 1.208 55.224 54.000 0.027 0.000 0.847 355 D CB -0.170 40.644 40.800 0.023 0.000 0.942 355 D HN 0.660 nan 8.370 nan 0.000 0.467 356 K N -0.491 119.909 120.400 0.001 0.000 2.487 356 K HA 0.147 4.468 4.320 0.001 0.000 0.192 356 K C 1.282 177.870 176.600 -0.020 0.000 1.027 356 K CA 0.533 56.812 56.287 -0.014 0.000 1.054 356 K CB 0.249 32.736 32.500 -0.022 0.000 0.824 356 K HN 0.390 nan 8.250 nan 0.000 0.510 357 G N 0.949 109.742 108.800 -0.011 0.000 2.195 357 G HA2 -0.249 3.712 3.960 0.001 0.000 0.246 357 G HA3 -0.249 3.712 3.960 0.001 0.000 0.246 357 G C 0.338 175.214 174.900 -0.041 0.000 0.984 357 G CA 0.306 45.393 45.100 -0.022 0.000 0.633 357 G HN 0.309 nan 8.290 nan 0.000 0.525 358 T N 1.010 115.541 114.554 -0.040 0.000 2.900 358 T HA 0.474 4.825 4.350 0.001 0.000 0.307 358 T C -0.085 174.591 174.700 -0.041 0.000 1.065 358 T CA 0.301 62.362 62.100 -0.065 0.000 1.105 358 T CB 1.842 70.686 68.868 -0.041 0.000 0.979 358 T HN 0.382 nan 8.240 nan 0.000 0.544 359 L N 3.092 124.251 121.223 -0.107 0.000 2.325 359 L HA 0.550 4.891 4.340 0.001 0.000 0.281 359 L C -0.760 176.167 176.870 0.094 0.000 1.004 359 L CA -0.315 54.509 54.840 -0.027 0.000 0.823 359 L CB 0.910 42.859 42.059 -0.183 0.000 1.236 359 L HN 0.586 nan 8.230 nan 0.000 0.415 360 I N 4.290 124.997 120.570 0.228 0.000 2.354 360 I HA 0.577 4.747 4.170 0.001 0.000 0.292 360 I C -0.045 176.294 176.117 0.370 0.000 0.989 360 I CA -0.584 60.905 61.300 0.315 0.000 1.188 360 I CB 1.768 39.948 38.000 0.300 0.000 1.342 360 I HN 0.704 nan 8.210 nan 0.000 0.457 361 A N 5.276 128.344 122.820 0.413 0.000 2.273 361 A HA 0.778 5.099 4.320 0.001 0.000 0.315 361 A C 0.085 177.887 177.584 0.363 0.000 1.256 361 A CA -0.418 51.806 52.037 0.313 0.000 0.851 361 A CB 0.823 19.846 19.000 0.038 0.000 1.172 361 A HN 0.812 nan 8.150 nan 0.000 0.508 362 G N 0.438 109.380 108.800 0.237 0.000 2.471 362 G HA2 0.860 4.820 3.960 0.001 0.000 0.332 362 G HA3 0.860 4.820 3.960 0.001 0.000 0.332 362 G C -0.333 174.505 174.900 -0.103 0.000 1.176 362 G CA -0.074 45.078 45.100 0.087 0.000 0.949 362 G HN 1.869 nan 8.290 nan 0.000 0.488 363 A N 0.430 123.063 122.820 -0.311 0.000 2.544 363 A HA 0.587 4.908 4.320 0.001 0.000 0.291 363 A C -1.840 175.564 177.584 -0.300 0.000 1.055 363 A CA -0.733 51.066 52.037 -0.397 0.000 0.651 363 A CB 1.133 19.602 19.000 -0.885 0.000 1.296 363 A HN 0.513 nan 8.150 nan 0.000 0.431 364 D N 1.321 121.598 120.400 -0.206 0.000 2.295 364 D HA 0.416 5.057 4.640 0.001 0.000 0.248 364 D C -0.233 175.952 176.300 -0.192 0.000 1.154 364 D CA 0.528 54.423 54.000 -0.175 0.000 0.857 364 D CB 1.282 41.998 40.800 -0.140 0.000 1.117 364 D HN 0.503 nan 8.370 nan 0.000 0.468 365 E N 2.957 123.027 120.200 -0.217 0.000 1.993 365 E HA 0.130 4.481 4.350 0.001 0.000 0.271 365 E C -0.478 175.887 176.600 -0.391 0.000 1.008 365 E CA -0.687 55.495 56.400 -0.363 0.000 0.814 365 E CB 0.271 29.869 29.700 -0.170 0.000 1.098 365 E HN 0.240 nan 8.360 nan 0.000 0.407 366 R N 4.252 124.471 120.500 -0.468 0.000 2.408 366 R HA 0.157 4.497 4.340 0.001 0.000 0.308 366 R C 1.215 177.264 176.300 -0.418 0.000 1.210 366 R CA -0.245 55.616 56.100 -0.398 0.000 1.115 366 R CB 0.529 30.616 30.300 -0.357 0.000 1.127 366 R HN 0.503 nan 8.270 nan 0.000 0.523 367 R N 2.250 122.539 120.500 -0.351 0.000 2.083 367 R HA -0.139 4.202 4.340 0.001 0.000 0.237 367 R C 1.320 177.460 176.300 -0.265 0.000 1.137 367 R CA 1.661 57.592 56.100 -0.281 0.000 0.951 367 R CB 0.057 30.239 30.300 -0.197 0.000 0.851 367 R HN 0.483 nan 8.270 nan 0.000 0.434 368 L N -1.232 119.784 121.223 -0.346 0.000 2.307 368 L HA 0.072 4.413 4.340 0.001 0.000 0.211 368 L C 0.249 176.973 176.870 -0.242 0.000 1.099 368 L CA 0.370 55.033 54.840 -0.294 0.000 0.816 368 L CB -0.138 41.759 42.059 -0.270 0.000 0.952 368 L HN 0.449 nan 8.230 nan 0.000 0.455 369 H N -6.322 112.633 119.070 -0.191 0.000 2.868 369 H HA 0.217 4.773 4.556 0.001 0.000 0.278 369 H C -0.131 175.025 175.328 -0.285 0.000 1.454 369 H CA -0.593 55.323 56.048 -0.221 0.000 1.145 369 H CB 0.122 29.752 29.762 -0.220 0.000 1.808 369 H HN -0.267 nan 8.280 nan 0.000 0.500 370 S N -0.417 115.235 115.700 -0.079 0.000 2.593 370 S HA 0.152 4.623 4.470 0.001 0.000 0.217 370 S C 0.307 174.769 174.600 -0.231 0.000 0.966 370 S CA 0.250 58.343 58.200 -0.179 0.000 0.914 370 S CB -0.104 62.971 63.200 -0.207 0.000 0.776 370 S HN 0.539 nan 8.310 nan 0.000 0.523 371 S N 2.455 118.006 115.700 -0.249 0.000 2.589 371 S HA 0.084 4.555 4.470 0.001 0.000 0.265 371 S C 0.276 174.452 174.600 -0.708 0.000 1.342 371 S CA -0.379 57.358 58.200 -0.773 0.000 1.005 371 S CB 0.238 62.389 63.200 -1.748 0.000 0.909 371 S HN 0.290 nan 8.310 nan 0.000 0.555 372 D N 1.647 121.671 120.400 -0.627 0.000 2.977 372 D HA 0.268 4.909 4.640 0.001 0.000 0.241 372 D C -0.167 176.245 176.300 0.186 0.000 1.206 372 D CA 0.177 54.129 54.000 -0.080 0.000 0.902 372 D CB -0.621 40.333 40.800 0.256 0.000 1.131 372 D HN 0.530 nan 8.370 nan 0.000 0.447 373 W N -1.510 119.844 121.300 0.090 0.000 2.791 373 W HA 0.531 5.192 4.660 0.001 0.000 0.419 373 W C 0.157 176.726 176.519 0.083 0.000 1.082 373 W CA -0.539 56.841 57.345 0.059 0.000 1.154 373 W CB 0.200 29.683 29.460 0.037 0.000 1.472 373 W HN 0.188 nan 8.180 nan 0.000 0.584 374 G N 0.531 109.560 108.800 0.382 0.000 2.512 374 G HA2 0.043 4.004 3.960 0.001 0.000 0.210 374 G HA3 0.043 4.004 3.960 0.001 0.000 0.210 374 G C -1.307 173.606 174.900 0.022 0.000 1.295 374 G CA -0.138 45.066 45.100 0.174 0.000 0.934 374 G HN 1.120 nan 8.290 nan 0.000 0.554 375 D N 0.939 121.294 120.400 -0.076 0.000 2.422 375 D HA 0.521 5.162 4.640 0.001 0.000 0.227 375 D C 0.361 176.586 176.300 -0.126 0.000 1.190 375 D CA -0.068 53.891 54.000 -0.069 0.000 0.905 375 D CB -0.368 40.389 40.800 -0.071 0.000 1.034 375 D HN 0.563 nan 8.370 nan 0.000 0.507 376 I N 2.744 123.261 120.570 -0.089 0.000 2.436 376 I HA 0.487 4.658 4.170 0.001 0.000 0.289 376 I C 0.772 176.827 176.117 -0.104 0.000 1.010 376 I CA -1.058 60.168 61.300 -0.123 0.000 1.098 376 I CB 2.311 40.246 38.000 -0.109 0.000 1.266 376 I HN 0.327 nan 8.210 nan 0.000 0.434 377 G N 6.588 115.310 108.800 -0.129 0.000 2.400 377 G HA2 0.610 4.570 3.960 0.001 0.000 0.333 377 G HA3 0.610 4.570 3.960 0.001 0.000 0.333 377 G C -0.474 174.318 174.900 -0.179 0.000 1.143 377 G CA -0.688 44.338 45.100 -0.123 0.000 0.914 377 G HN 0.324 nan 8.290 nan 0.000 0.480 378 M N 2.303 121.754 119.600 -0.248 0.000 2.077 378 M HA 0.330 4.811 4.480 0.001 0.000 0.348 378 M C 0.115 176.249 176.300 -0.277 0.000 1.252 378 M CA -0.564 54.530 55.300 -0.344 0.000 1.096 378 M CB 0.291 32.515 32.600 -0.627 0.000 1.568 378 M HN 0.423 nan 8.290 nan 0.000 0.456 379 V N 3.396 123.178 119.914 -0.219 0.000 3.102 379 V HA 0.923 5.044 4.120 0.001 0.000 0.312 379 V C -0.668 175.395 176.094 -0.052 0.000 1.135 379 V CA -0.977 61.253 62.300 -0.118 0.000 1.022 379 V CB 2.743 34.567 31.823 0.002 0.000 1.056 379 V HN 0.860 nan 8.190 nan 0.000 0.436 380 I N -1.003 119.640 120.570 0.122 0.000 3.102 380 I HA 0.805 4.976 4.170 0.001 0.000 0.310 380 I C -0.876 175.453 176.117 0.353 0.000 1.246 380 I CA -1.128 60.348 61.300 0.294 0.000 0.979 380 I CB 2.658 40.806 38.000 0.247 0.000 1.267 380 I HN 0.717 nan 8.210 nan 0.000 0.451 381 R N 1.940 122.647 120.500 0.344 0.000 2.744 381 R HA 0.656 4.997 4.340 0.001 0.000 0.279 381 R C -1.282 175.236 176.300 0.362 0.000 0.977 381 R CA -1.018 55.222 56.100 0.235 0.000 0.906 381 R CB 2.958 33.246 30.300 -0.020 0.000 1.197 381 R HN 0.648 nan 8.270 nan 0.000 0.463 382 R N 0.359 121.013 120.500 0.256 0.000 2.637 382 R HA 0.411 4.752 4.340 0.001 0.000 0.291 382 R C -0.777 175.433 176.300 -0.149 0.000 0.963 382 R CA -0.610 55.559 56.100 0.115 0.000 0.901 382 R CB 2.263 32.602 30.300 0.065 0.000 1.160 382 R HN 0.384 nan 8.270 nan 0.000 0.457 383 S N 0.999 116.390 115.700 -0.516 0.000 2.561 383 S HA 0.196 4.666 4.470 0.001 0.000 0.303 383 S C -0.074 174.215 174.600 -0.517 0.000 1.110 383 S CA -0.687 56.975 58.200 -0.897 0.000 1.034 383 S CB 1.132 63.098 63.200 -2.057 0.000 1.010 383 S HN 0.700 nan 8.310 nan 0.000 0.482 384 E N 2.199 122.180 120.200 -0.366 0.000 2.476 384 E HA 0.074 4.424 4.350 0.001 0.000 0.196 384 E C -0.460 176.011 176.600 -0.216 0.000 1.029 384 E CA 0.068 56.328 56.400 -0.233 0.000 0.896 384 E CB 0.277 29.884 29.700 -0.155 0.000 1.012 384 E HN 0.732 nan 8.360 nan 0.000 0.475 385 D N -0.307 119.922 120.400 -0.284 0.000 2.788 385 D HA 0.057 4.698 4.640 0.001 0.000 0.289 385 D C -0.051 176.123 176.300 -0.210 0.000 1.340 385 D CA -0.807 53.068 54.000 -0.208 0.000 0.831 385 D CB -0.262 40.432 40.800 -0.175 0.000 1.103 385 D HN -0.166 nan 8.370 nan 0.000 0.476 386 N N 0.508 119.064 118.700 -0.241 0.000 2.754 386 N HA -0.165 4.576 4.740 0.001 0.000 0.248 386 N C 1.093 176.483 175.510 -0.200 0.000 1.093 386 N CA 1.575 54.522 53.050 -0.171 0.000 0.699 386 N CB -1.233 37.221 38.487 -0.055 0.000 1.016 386 N HN 0.748 nan 8.380 nan 0.000 0.552 387 G N -1.543 106.937 108.800 -0.533 0.000 2.176 387 G HA2 -0.369 3.592 3.960 0.001 0.000 0.232 387 G HA3 -0.369 3.592 3.960 0.001 0.000 0.232 387 G C 0.857 175.672 174.900 -0.142 0.000 0.986 387 G CA 1.010 45.763 45.100 -0.578 0.000 0.643 387 G HN 0.619 nan 8.290 nan 0.000 0.522 388 K N 1.208 121.502 120.400 -0.178 0.000 2.007 388 K HA 0.140 4.461 4.320 0.001 0.000 0.206 388 K C 1.526 178.104 176.600 -0.038 0.000 1.047 388 K CA 2.179 58.445 56.287 -0.035 0.000 0.937 388 K CB -0.288 32.178 32.500 -0.056 0.000 0.718 388 K HN 0.829 nan 8.250 nan 0.000 0.438 389 T N -2.437 111.977 114.554 -0.233 0.000 2.893 389 T HA 0.600 4.950 4.350 0.001 0.000 0.291 389 T C -1.116 173.329 174.700 -0.426 0.000 1.028 389 T CA -0.906 61.106 62.100 -0.145 0.000 0.995 389 T CB 1.088 69.896 68.868 -0.100 0.000 1.051 389 T HN 0.175 nan 8.240 nan 0.000 0.470 390 W N 0.331 121.552 121.300 -0.131 0.000 2.844 390 W HA 0.697 5.358 4.660 0.001 0.000 0.340 390 W C 0.585 177.032 176.519 -0.119 0.000 1.093 390 W CA -0.708 56.545 57.345 -0.152 0.000 1.212 390 W CB 1.902 31.227 29.460 -0.225 0.000 1.422 390 W HN 1.171 nan 8.180 nan 0.000 0.515 391 G N 0.649 109.505 108.800 0.094 0.000 2.535 391 G HA2 0.261 4.222 3.960 0.001 0.000 0.282 391 G HA3 0.261 4.222 3.960 0.001 0.000 0.282 391 G C -0.375 174.559 174.900 0.056 0.000 1.350 391 G CA -0.618 44.513 45.100 0.051 0.000 1.039 391 G HN 0.377 nan 8.290 nan 0.000 0.509 392 D N -0.250 120.176 120.400 0.045 0.000 2.368 392 D HA 0.151 4.791 4.640 0.001 0.000 0.240 392 D C 0.655 176.998 176.300 0.071 0.000 1.169 392 D CA 0.260 54.286 54.000 0.044 0.000 0.906 392 D CB 0.733 41.558 40.800 0.043 0.000 1.187 392 D HN 0.171 nan 8.370 nan 0.000 0.435 393 R N 0.116 120.664 120.500 0.081 0.000 2.570 393 R HA 0.229 4.569 4.340 0.001 0.000 0.277 393 R C -0.528 175.848 176.300 0.127 0.000 1.039 393 R CA -0.107 56.073 56.100 0.134 0.000 1.065 393 R CB 0.458 30.858 30.300 0.165 0.000 0.964 393 R HN 0.117 nan 8.270 nan 0.000 0.428 394 V N 3.195 123.200 119.914 0.152 0.000 2.409 394 V HA 0.167 4.288 4.120 0.001 0.000 0.291 394 V C -0.021 176.125 176.094 0.087 0.000 1.020 394 V CA -0.594 61.795 62.300 0.148 0.000 0.848 394 V CB 1.974 33.939 31.823 0.238 0.000 0.990 394 V HN 0.768 nan 8.190 nan 0.000 0.430 395 T N 6.500 121.083 114.554 0.048 0.000 2.743 395 T HA 0.449 4.799 4.350 0.001 0.000 0.293 395 T C 1.303 175.960 174.700 -0.071 0.000 0.945 395 T CA -0.136 61.950 62.100 -0.023 0.000 1.030 395 T CB 1.078 69.943 68.868 -0.006 0.000 0.912 395 T HN 0.418 nan 8.240 nan 0.000 0.483 396 I N 1.893 122.321 120.570 -0.237 0.000 2.277 396 I HA 0.026 4.197 4.170 0.001 0.000 0.243 396 I C 0.791 176.893 176.117 -0.024 0.000 1.094 396 I CA 0.842 61.942 61.300 -0.333 0.000 1.393 396 I CB 0.253 37.807 38.000 -0.743 0.000 1.078 396 I HN 0.518 nan 8.210 nan 0.000 0.417 397 T N 0.700 115.205 114.554 -0.081 0.000 3.041 397 T HA 0.287 4.638 4.350 0.001 0.000 0.321 397 T C -0.903 173.803 174.700 0.011 0.000 1.184 397 T CA -0.589 61.551 62.100 0.066 0.000 1.050 397 T CB 1.981 70.903 68.868 0.091 0.000 1.159 397 T HN -0.007 nan 8.240 nan 0.000 0.469 398 N N 3.004 121.760 118.700 0.093 0.000 2.793 398 N HA 0.234 4.974 4.740 0.001 0.000 0.251 398 N C -0.927 174.660 175.510 0.129 0.000 1.308 398 N CA -0.330 52.758 53.050 0.063 0.000 0.781 398 N CB 0.732 39.233 38.487 0.024 0.000 1.439 398 N HN 0.568 nan 8.380 nan 0.000 0.562 399 L N 2.850 124.172 121.223 0.165 0.000 2.490 399 L HA 0.190 4.531 4.340 0.001 0.000 0.274 399 L C 1.489 178.484 176.870 0.208 0.000 1.201 399 L CA -0.271 54.708 54.840 0.230 0.000 0.869 399 L CB 0.304 42.506 42.059 0.238 0.000 1.123 399 L HN 0.341 nan 8.230 nan 0.000 0.484 400 R N 1.876 122.520 120.500 0.241 0.000 2.643 400 R HA 0.117 4.458 4.340 0.001 0.000 0.270 400 R C -0.503 175.972 176.300 0.291 0.000 1.061 400 R CA -0.799 55.438 56.100 0.228 0.000 1.107 400 R CB 0.316 30.754 30.300 0.229 0.000 0.999 400 R HN 0.638 nan 8.270 nan 0.000 0.460 401 D N 1.639 122.140 120.400 0.169 0.000 2.358 401 D HA -0.083 4.558 4.640 0.001 0.000 0.244 401 D C -0.518 175.733 176.300 -0.080 0.000 1.163 401 D CA -0.537 53.511 54.000 0.080 0.000 0.945 401 D CB 0.474 41.281 40.800 0.011 0.000 1.152 401 D HN 0.571 nan 8.370 nan 0.000 0.451 402 N N 1.262 119.706 118.700 -0.426 0.000 2.399 402 N HA 0.061 4.802 4.740 0.001 0.000 0.259 402 N C -1.573 173.671 175.510 -0.443 0.000 1.160 402 N CA -1.873 50.547 53.050 -1.049 0.000 0.946 402 N CB 0.801 38.672 38.487 -1.027 0.000 1.156 402 N HN 0.215 nan 8.380 nan 0.000 0.489 403 P HA -0.092 nan 4.420 nan 0.000 0.225 403 P C 0.209 177.440 177.300 -0.115 0.000 1.148 403 P CA 0.977 64.004 63.100 -0.122 0.000 0.779 403 P CB 0.470 32.148 31.700 -0.038 0.000 0.780 404 K N -0.616 119.686 120.400 -0.164 0.000 2.358 404 K HA 0.284 4.605 4.320 0.001 0.000 0.197 404 K C 0.933 177.466 176.600 -0.111 0.000 1.025 404 K CA -0.354 55.867 56.287 -0.108 0.000 1.104 404 K CB 0.252 32.704 32.500 -0.079 0.000 0.855 404 K HN 0.039 nan 8.250 nan 0.000 0.531 405 A N 1.094 123.825 122.820 -0.149 0.000 2.511 405 A HA 0.108 4.429 4.320 0.001 0.000 0.242 405 A C 1.254 178.798 177.584 -0.066 0.000 1.069 405 A CA 0.140 52.111 52.037 -0.111 0.000 0.763 405 A CB 0.301 19.230 19.000 -0.119 0.000 1.001 405 A HN 0.197 nan 8.150 nan 0.000 0.498 406 S N 0.583 116.253 115.700 -0.050 0.000 2.383 406 S HA -0.078 4.393 4.470 0.001 0.000 0.227 406 S C 0.653 175.237 174.600 -0.027 0.000 1.026 406 S CA 1.481 59.660 58.200 -0.035 0.000 0.981 406 S CB -0.056 63.125 63.200 -0.032 0.000 0.818 406 S HN 0.849 nan 8.310 nan 0.000 0.472 407 D N 0.782 121.168 120.400 -0.024 0.000 2.461 407 D HA 0.256 4.897 4.640 0.001 0.000 0.240 407 D C -1.858 174.448 176.300 0.011 0.000 1.094 407 D CA -2.400 51.597 54.000 -0.005 0.000 0.868 407 D CB 1.556 42.352 40.800 -0.006 0.000 1.062 407 D HN -0.005 nan 8.370 nan 0.000 0.530 408 P HA -0.107 nan 4.420 nan 0.000 0.219 408 P C 1.159 178.507 177.300 0.081 0.000 1.146 408 P CA 0.519 63.633 63.100 0.022 0.000 0.808 408 P CB 0.457 32.161 31.700 0.007 0.000 0.779 409 S N 0.115 115.897 115.700 0.135 0.000 2.442 409 S HA -0.060 4.411 4.470 0.001 0.000 0.236 409 S C 1.700 176.557 174.600 0.429 0.000 1.007 409 S CA 1.158 59.540 58.200 0.303 0.000 0.965 409 S CB -0.692 62.674 63.200 0.277 0.000 0.773 409 S HN 0.411 nan 8.310 nan 0.000 0.504 410 I N -3.234 117.472 120.570 0.227 0.000 3.813 410 I HA 0.501 4.671 4.170 0.001 0.000 0.323 410 I C 0.856 177.018 176.117 0.075 0.000 1.536 410 I CA -0.381 61.019 61.300 0.167 0.000 1.083 410 I CB 0.356 38.333 38.000 -0.038 0.000 1.265 410 I HN 0.033 nan 8.210 nan 0.000 0.507 411 G N 0.730 109.568 108.800 0.064 0.000 3.609 411 G HA2 0.362 4.323 3.960 0.001 0.000 0.280 411 G HA3 0.362 4.323 3.960 0.001 0.000 0.280 411 G C -0.055 174.835 174.900 -0.017 0.000 1.155 411 G CA 0.111 45.208 45.100 -0.006 0.000 0.876 411 G HN 0.342 nan 8.290 nan 0.000 0.535 412 S N -0.236 115.497 115.700 0.053 0.000 2.540 412 S HA 0.687 5.158 4.470 0.001 0.000 0.275 412 S C -3.073 171.612 174.600 0.141 0.000 1.123 412 S CA -1.176 57.075 58.200 0.085 0.000 0.907 412 S CB 2.381 65.624 63.200 0.071 0.000 1.081 412 S HN -0.095 nan 8.310 nan 0.000 0.476 413 P HA 0.179 nan 4.420 nan 0.000 0.267 413 P C -1.218 176.141 177.300 0.099 0.000 1.200 413 P CA -0.252 62.951 63.100 0.171 0.000 0.772 413 P CB 0.477 32.303 31.700 0.210 0.000 0.855 414 V N 3.803 123.770 119.914 0.087 0.000 2.555 414 V HA 0.407 4.528 4.120 0.001 0.000 0.302 414 V C 0.016 176.137 176.094 0.045 0.000 1.038 414 V CA -0.494 61.868 62.300 0.103 0.000 0.887 414 V CB 1.712 33.656 31.823 0.201 0.000 0.991 414 V HN 0.484 nan 8.190 nan 0.000 0.434 415 N N 3.678 122.394 118.700 0.026 0.000 2.284 415 N HA 0.735 5.475 4.740 0.001 0.000 0.300 415 N C -1.206 174.341 175.510 0.061 0.000 1.047 415 N CA -0.309 52.754 53.050 0.020 0.000 0.821 415 N CB 2.791 41.250 38.487 -0.047 0.000 1.337 415 N HN 0.792 nan 8.380 nan 0.000 0.482 416 I N 0.671 121.323 120.570 0.136 0.000 2.785 416 I HA 0.182 4.352 4.170 0.001 0.000 0.293 416 I C -1.649 174.574 176.117 0.177 0.000 1.446 416 I CA -0.387 60.991 61.300 0.129 0.000 1.028 416 I CB 1.542 39.647 38.000 0.177 0.000 1.349 416 I HN 0.417 nan 8.210 nan 0.000 0.438 417 D N 6.091 126.570 120.400 0.132 0.000 7.535 417 D HA -0.148 4.492 4.640 0.001 0.000 0.259 417 D C -0.865 175.553 176.300 0.197 0.000 2.071 417 D CA 1.357 55.462 54.000 0.174 0.000 1.897 417 D CB -0.225 40.725 40.800 0.250 0.000 0.821 417 D HN 0.716 nan 8.370 nan 0.000 0.521 418 M N -0.895 118.805 119.600 0.166 0.000 2.662 418 M HA 0.791 5.272 4.480 0.001 0.000 0.310 418 M C -1.259 175.152 176.300 0.186 0.000 1.204 418 M CA -0.940 54.479 55.300 0.199 0.000 0.891 418 M CB 2.600 35.287 32.600 0.144 0.000 1.732 418 M HN 0.030 nan 8.290 nan 0.000 0.467 419 V N 3.127 123.159 119.914 0.196 0.000 2.588 419 V HA 0.557 4.678 4.120 0.001 0.000 0.304 419 V C -0.579 175.654 176.094 0.232 0.000 1.042 419 V CA -0.601 61.815 62.300 0.194 0.000 0.877 419 V CB 1.921 33.842 31.823 0.163 0.000 0.996 419 V HN 0.817 nan 8.190 nan 0.000 0.425 420 L N 4.762 126.135 121.223 0.250 0.000 2.334 420 L HA 0.887 5.228 4.340 0.001 0.000 0.272 420 L C -0.646 176.413 176.870 0.315 0.000 1.020 420 L CA -0.861 54.163 54.840 0.306 0.000 0.812 420 L CB 2.069 44.304 42.059 0.295 0.000 1.264 420 L HN 0.463 nan 8.230 nan 0.000 0.439 421 V N 1.946 122.085 119.914 0.375 0.000 3.108 421 V HA 0.273 4.394 4.120 0.001 0.000 0.287 421 V C -1.709 174.633 176.094 0.413 0.000 1.436 421 V CA -0.389 62.129 62.300 0.363 0.000 1.001 421 V CB 2.409 34.450 31.823 0.362 0.000 1.141 421 V HN 0.890 nan 8.190 nan 0.000 0.443 422 Q N 3.601 123.596 119.800 0.325 0.000 2.337 422 Q HA 0.413 4.754 4.340 0.001 0.000 0.266 422 Q C -1.175 174.996 176.000 0.285 0.000 1.023 422 Q CA -0.654 55.316 55.803 0.279 0.000 0.829 422 Q CB 1.880 30.724 28.738 0.176 0.000 1.306 422 Q HN 0.846 nan 8.270 nan 0.000 0.449 423 D N 5.346 125.936 120.400 0.317 0.000 2.339 423 D HA 0.088 4.728 4.640 0.001 0.000 0.256 423 D C -1.568 174.833 176.300 0.167 0.000 1.214 423 D CA -1.713 52.459 54.000 0.287 0.000 0.877 423 D CB 1.562 42.584 40.800 0.371 0.000 1.111 423 D HN 0.454 nan 8.370 nan 0.000 0.478 424 P HA -0.127 nan 4.420 nan 0.000 0.225 424 P C 0.889 178.224 177.300 0.058 0.000 1.148 424 P CA 0.813 63.970 63.100 0.095 0.000 0.779 424 P CB 0.709 32.466 31.700 0.096 0.000 0.780 425 E N 0.722 120.954 120.200 0.053 0.000 2.045 425 E HA -0.088 4.262 4.350 0.001 0.000 0.190 425 E C 2.094 178.650 176.600 -0.075 0.000 0.968 425 E CA 1.970 58.358 56.400 -0.020 0.000 0.813 425 E CB -0.920 28.744 29.700 -0.061 0.000 0.780 425 E HN 0.172 nan 8.360 nan 0.000 0.455 426 T N -1.837 112.656 114.554 -0.102 0.000 3.043 426 T HA 0.055 4.406 4.350 0.001 0.000 0.263 426 T C 0.696 175.362 174.700 -0.057 0.000 1.094 426 T CA 0.756 62.791 62.100 -0.107 0.000 1.127 426 T CB 0.006 68.802 68.868 -0.120 0.000 0.905 426 T HN 0.100 nan 8.240 nan 0.000 0.490 427 K N -0.374 120.017 120.400 -0.016 0.000 3.553 427 K HA -0.163 4.158 4.320 0.001 0.000 0.303 427 K C 0.377 176.945 176.600 -0.053 0.000 1.327 427 K CA 0.878 57.156 56.287 -0.016 0.000 0.983 427 K CB -1.854 30.626 32.500 -0.032 0.000 1.275 427 K HN 0.681 nan 8.250 nan 0.000 0.453 428 R N 1.355 121.802 120.500 -0.087 0.000 2.537 428 R HA 0.334 4.675 4.340 0.001 0.000 0.280 428 R C 0.069 176.187 176.300 -0.303 0.000 1.058 428 R CA 0.041 55.991 56.100 -0.249 0.000 1.057 428 R CB 0.350 30.422 30.300 -0.380 0.000 0.973 428 R HN 0.130 nan 8.270 nan 0.000 0.438 429 I N 5.074 125.433 120.570 -0.352 0.000 2.377 429 I HA 0.287 4.457 4.170 0.001 0.000 0.293 429 I C -0.768 175.244 176.117 -0.176 0.000 0.987 429 I CA -0.613 60.595 61.300 -0.153 0.000 1.185 429 I CB 1.196 39.154 38.000 -0.071 0.000 1.341 429 I HN 0.476 nan 8.210 nan 0.000 0.455 430 F N 3.536 123.718 119.950 0.387 0.000 2.480 430 F HA 0.492 5.020 4.527 0.001 0.000 0.329 430 F C 0.442 176.519 175.800 0.463 0.000 1.091 430 F CA -0.670 57.606 58.000 0.461 0.000 0.972 430 F CB 1.980 41.215 39.000 0.392 0.000 1.150 430 F HN 0.260 nan 8.300 nan 0.000 0.467 431 S N 4.000 120.083 115.700 0.639 0.000 2.659 431 S HA 0.712 5.182 4.470 0.001 0.000 0.312 431 S C -1.027 173.796 174.600 0.373 0.000 1.114 431 S CA -0.435 58.027 58.200 0.436 0.000 1.063 431 S CB 0.153 63.490 63.200 0.228 0.000 0.996 431 S HN 0.519 nan 8.310 nan 0.000 0.478 432 I N 6.272 126.979 120.570 0.228 0.000 2.433 432 I HA 0.551 4.722 4.170 0.001 0.000 0.292 432 I C -0.928 175.228 176.117 0.065 0.000 1.001 432 I CA -0.911 60.365 61.300 -0.040 0.000 1.119 432 I CB 1.453 39.339 38.000 -0.191 0.000 1.289 432 I HN 0.765 nan 8.210 nan 0.000 0.438 433 Y N 2.636 122.949 120.300 0.021 0.000 2.655 433 Y HA 0.584 5.135 4.550 0.001 0.000 0.336 433 Y C -1.183 174.692 175.900 -0.042 0.000 1.154 433 Y CA -1.579 56.528 58.100 0.011 0.000 1.055 433 Y CB 0.457 38.930 38.460 0.021 0.000 1.295 433 Y HN 0.317 nan 8.280 nan 0.000 0.465 434 D N 2.123 122.588 120.400 0.109 0.000 2.329 434 D HA 0.360 5.000 4.640 0.001 0.000 0.246 434 D C -0.609 175.591 176.300 -0.167 0.000 1.111 434 D CA 0.002 53.954 54.000 -0.080 0.000 0.941 434 D CB 1.345 42.183 40.800 0.064 0.000 1.169 434 D HN 0.603 nan 8.370 nan 0.000 0.441 435 M N 1.476 120.780 119.600 -0.494 0.000 2.378 435 M HA 0.433 4.914 4.480 0.001 0.000 0.289 435 M C -2.189 173.776 176.300 -0.557 0.000 1.136 435 M CA -0.480 54.428 55.300 -0.653 0.000 0.917 435 M CB 1.346 33.004 32.600 -1.569 0.000 1.669 435 M HN 0.328 nan 8.290 nan 0.000 0.461 436 F N 4.903 124.745 119.950 -0.179 0.000 2.588 436 F HA 0.708 5.235 4.527 0.001 0.000 0.310 436 F C -2.079 173.692 175.800 -0.049 0.000 1.082 436 F CA -1.085 56.910 58.000 -0.008 0.000 0.929 436 F CB 2.024 41.051 39.000 0.044 0.000 1.254 436 F HN 0.384 nan 8.300 nan 0.000 0.455 437 P HA 0.015 nan 4.420 nan 0.000 0.286 437 P C -0.631 176.799 177.300 0.216 0.000 1.293 437 P CA -0.407 62.813 63.100 0.200 0.000 0.770 437 P CB 0.560 32.420 31.700 0.267 0.000 1.206 438 E N -0.400 119.939 120.200 0.233 0.000 2.652 438 E HA 0.221 4.572 4.350 0.001 0.000 0.255 438 E C 0.341 177.004 176.600 0.106 0.000 0.952 438 E CA 0.764 57.267 56.400 0.171 0.000 0.947 438 E CB -0.545 29.257 29.700 0.170 0.000 0.912 438 E HN 0.696 nan 8.360 nan 0.000 0.489 439 G N 3.707 112.544 108.800 0.062 0.000 2.356 439 G HA2 -0.054 3.906 3.960 0.001 0.000 0.266 439 G HA3 -0.054 3.906 3.960 0.001 0.000 0.266 439 G C -0.817 174.020 174.900 -0.106 0.000 1.312 439 G CA -0.631 44.452 45.100 -0.028 0.000 0.922 439 G HN 0.428 nan 8.290 nan 0.000 0.480 440 K N 1.011 121.253 120.400 -0.262 0.000 2.684 440 K HA 0.415 4.736 4.320 0.001 0.000 0.215 440 K C 1.367 177.830 176.600 -0.229 0.000 1.073 440 K CA 0.505 56.504 56.287 -0.480 0.000 1.197 440 K CB 0.371 32.368 32.500 -0.839 0.000 0.955 440 K HN 1.455 nan 8.250 nan 0.000 0.473 441 G N 2.229 110.834 108.800 -0.326 0.000 2.634 441 G HA2 -0.382 3.578 3.960 0.001 0.000 0.309 441 G HA3 -0.382 3.578 3.960 0.001 0.000 0.309 441 G C 0.775 175.012 174.900 -1.105 0.000 1.265 441 G CA 0.306 44.808 45.100 -0.996 0.000 0.998 441 G HN 0.391 nan 8.290 nan 0.000 0.551 442 I N 0.219 120.215 120.570 -0.957 0.000 2.700 442 I HA 0.072 4.243 4.170 0.001 0.000 0.261 442 I C 1.883 177.673 176.117 -0.544 0.000 1.219 442 I CA 1.317 62.233 61.300 -0.641 0.000 1.463 442 I CB -0.141 37.370 38.000 -0.815 0.000 1.092 442 I HN 0.348 nan 8.210 nan 0.000 0.452 443 F N -0.462 119.385 119.950 -0.171 0.000 2.693 443 F HA 0.273 4.800 4.527 0.001 0.000 0.303 443 F C 1.766 177.441 175.800 -0.207 0.000 1.097 443 F CA 0.184 58.105 58.000 -0.132 0.000 1.330 443 F CB 0.574 39.497 39.000 -0.129 0.000 1.067 443 F HN 0.013 nan 8.300 nan 0.000 0.565 444 G N -0.278 108.449 108.800 -0.121 0.000 3.839 444 G HA2 0.268 4.229 3.960 0.001 0.000 0.286 444 G HA3 0.268 4.229 3.960 0.001 0.000 0.286 444 G C 0.343 175.194 174.900 -0.081 0.000 1.005 444 G CA -0.277 44.743 45.100 -0.132 0.000 0.824 444 G HN 0.011 nan 8.290 nan 0.000 0.489 445 M N 1.434 120.996 119.600 -0.063 0.000 2.243 445 M HA 0.271 4.752 4.480 0.001 0.000 0.341 445 M C 0.269 176.524 176.300 -0.075 0.000 1.130 445 M CA 0.263 55.537 55.300 -0.044 0.000 1.162 445 M CB 1.096 33.661 32.600 -0.059 0.000 1.497 445 M HN -0.036 nan 8.290 nan 0.000 0.456 446 S N 0.603 116.268 115.700 -0.058 0.000 2.652 446 S HA 0.148 4.619 4.470 0.001 0.000 0.270 446 S C 1.117 175.671 174.600 -0.078 0.000 1.243 446 S CA -0.564 57.601 58.200 -0.059 0.000 0.999 446 S CB 1.421 64.597 63.200 -0.040 0.000 0.973 446 S HN 0.843 nan 8.310 nan 0.000 0.544 447 S N 0.570 116.234 115.700 -0.059 0.000 2.461 447 S HA 0.023 4.493 4.470 0.001 0.000 0.228 447 S C 0.354 174.933 174.600 -0.036 0.000 1.005 447 S CA 0.398 58.568 58.200 -0.051 0.000 0.942 447 S CB -0.056 63.126 63.200 -0.030 0.000 0.776 447 S HN 0.587 nan 8.310 nan 0.000 0.514 448 Q N 1.670 121.449 119.800 -0.034 0.000 2.282 448 Q HA 0.418 4.759 4.340 0.001 0.000 0.260 448 Q C -0.718 175.266 176.000 -0.027 0.000 0.964 448 Q CA -0.359 55.429 55.803 -0.025 0.000 0.880 448 Q CB 1.872 30.594 28.738 -0.028 0.000 1.286 448 Q HN 0.446 nan 8.270 nan 0.000 0.445 449 K N 1.685 122.078 120.400 -0.012 0.000 2.295 449 K HA 0.126 4.447 4.320 0.001 0.000 0.270 449 K C -0.549 176.042 176.600 -0.014 0.000 1.011 449 K CA 0.153 56.435 56.287 -0.007 0.000 0.953 449 K CB 0.668 33.178 32.500 0.016 0.000 0.956 449 K HN 0.477 nan 8.250 nan 0.000 0.477 450 E N 2.948 123.143 120.200 -0.008 0.000 2.216 450 E HA 0.077 4.427 4.350 0.001 0.000 0.260 450 E C -1.111 175.546 176.600 0.095 0.000 0.880 450 E CA -0.700 55.699 56.400 -0.002 0.000 0.765 450 E CB 1.478 31.144 29.700 -0.056 0.000 1.174 450 E HN 0.533 nan 8.360 nan 0.000 0.417 451 E N 1.455 121.752 120.200 0.161 0.000 2.558 451 E HA -0.037 4.313 4.350 0.001 0.000 0.255 451 E C 0.289 176.998 176.600 0.181 0.000 0.968 451 E CA 0.188 56.691 56.400 0.171 0.000 0.939 451 E CB 1.256 31.069 29.700 0.188 0.000 0.921 451 E HN 0.632 nan 8.360 nan 0.000 0.477 452 A N 4.109 126.963 122.820 0.057 0.000 2.115 452 A HA 0.098 4.418 4.320 0.001 0.000 0.211 452 A C -0.122 177.156 177.584 -0.511 0.000 1.169 452 A CA 0.551 52.483 52.037 -0.174 0.000 0.787 452 A CB 0.320 19.166 19.000 -0.257 0.000 0.858 452 A HN 0.517 nan 8.150 nan 0.000 0.474 453 Y N -1.215 119.157 120.300 0.121 0.000 2.553 453 Y HA 0.619 5.169 4.550 0.001 0.000 0.347 453 Y C -0.160 175.780 175.900 0.066 0.000 1.019 453 Y CA -1.047 57.106 58.100 0.090 0.000 1.032 453 Y CB 1.678 40.180 38.460 0.069 0.000 1.284 453 Y HN -0.002 nan 8.280 nan 0.000 0.466 454 K N 2.052 122.588 120.400 0.227 0.000 2.443 454 K HA 0.420 4.741 4.320 0.001 0.000 0.252 454 K C -1.579 175.090 176.600 0.116 0.000 0.933 454 K CA -0.908 55.467 56.287 0.146 0.000 0.792 454 K CB 1.755 34.324 32.500 0.116 0.000 1.185 454 K HN 0.707 nan 8.250 nan 0.000 0.425 455 K N 5.375 125.812 120.400 0.061 0.000 2.234 455 K HA 0.374 4.695 4.320 0.001 0.000 0.277 455 K C -1.013 175.599 176.600 0.019 0.000 1.038 455 K CA -0.450 55.835 56.287 -0.004 0.000 0.888 455 K CB 0.660 33.149 32.500 -0.018 0.000 1.091 455 K HN 0.520 nan 8.250 nan 0.000 0.467 456 I N 3.907 124.482 120.570 0.008 0.000 2.439 456 I HA 0.093 4.264 4.170 0.001 0.000 0.285 456 I C -0.497 175.633 176.117 0.022 0.000 1.021 456 I CA -0.613 60.725 61.300 0.064 0.000 1.091 456 I CB 1.729 39.842 38.000 0.189 0.000 1.242 456 I HN 0.825 nan 8.210 nan 0.000 0.439 457 D N 5.358 125.765 120.400 0.013 0.000 2.708 457 D HA -0.199 4.442 4.640 0.001 0.000 0.236 457 D C 1.082 177.365 176.300 -0.028 0.000 1.146 457 D CA 1.668 55.669 54.000 0.001 0.000 0.662 457 D CB -0.642 40.169 40.800 0.017 0.000 1.059 457 D HN 1.126 nan 8.370 nan 0.000 0.428 458 G N -0.756 108.016 108.800 -0.046 0.000 2.162 458 G HA2 -0.325 3.636 3.960 0.001 0.000 0.260 458 G HA3 -0.325 3.636 3.960 0.001 0.000 0.260 458 G C 0.275 175.098 174.900 -0.127 0.000 0.976 458 G CA 0.546 45.605 45.100 -0.069 0.000 0.655 458 G HN 0.494 nan 8.290 nan 0.000 0.533 459 K N 0.821 121.100 120.400 -0.202 0.000 2.270 459 K HA 0.615 4.936 4.320 0.001 0.000 0.255 459 K C -0.426 175.843 176.600 -0.551 0.000 0.936 459 K CA -0.306 55.737 56.287 -0.408 0.000 0.809 459 K CB 1.373 33.539 32.500 -0.556 0.000 1.131 459 K HN 0.049 nan 8.250 nan 0.000 0.427 460 T N 4.076 118.338 114.554 -0.487 0.000 2.744 460 T HA 0.414 4.764 4.350 0.001 0.000 0.291 460 T C -0.843 173.648 174.700 -0.349 0.000 0.957 460 T CA -0.180 61.726 62.100 -0.323 0.000 1.002 460 T CB 0.027 68.777 68.868 -0.197 0.000 0.919 460 T HN 0.207 nan 8.240 nan 0.000 0.468 461 Y N 1.468 121.815 120.300 0.078 0.000 2.485 461 Y HA 0.440 4.991 4.550 0.001 0.000 0.345 461 Y C 0.448 176.457 175.900 0.182 0.000 0.998 461 Y CA -1.387 56.763 58.100 0.083 0.000 1.059 461 Y CB 1.490 39.947 38.460 -0.004 0.000 1.234 461 Y HN 0.519 nan 8.280 nan 0.000 0.461 462 Q N 2.387 122.391 119.800 0.340 0.000 2.327 462 Q HA 0.425 4.765 4.340 0.001 0.000 0.254 462 Q C -0.940 175.071 176.000 0.017 0.000 0.952 462 Q CA -0.156 55.736 55.803 0.148 0.000 0.884 462 Q CB 0.626 29.427 28.738 0.104 0.000 1.224 462 Q HN 0.685 nan 8.270 nan 0.000 0.422 463 I N 3.912 124.420 120.570 -0.103 0.000 2.612 463 I HA 0.262 4.432 4.170 0.001 0.000 0.295 463 I C -0.326 175.662 176.117 -0.214 0.000 1.011 463 I CA -0.571 60.628 61.300 -0.167 0.000 1.326 463 I CB 0.921 38.769 38.000 -0.253 0.000 1.427 463 I HN 0.553 nan 8.210 nan 0.000 0.537 464 L N 5.053 126.123 121.223 -0.255 0.000 2.401 464 L HA 0.466 4.807 4.340 0.001 0.000 0.266 464 L C -1.406 175.339 176.870 -0.207 0.000 0.991 464 L CA -0.752 53.991 54.840 -0.163 0.000 0.818 464 L CB 2.006 43.970 42.059 -0.158 0.000 1.321 464 L HN 0.389 nan 8.230 nan 0.000 0.413 465 Y N 1.484 121.888 120.300 0.173 0.000 2.409 465 Y HA 0.572 5.123 4.550 0.001 0.000 0.339 465 Y C -0.038 175.910 175.900 0.079 0.000 1.033 465 Y CA -0.628 57.569 58.100 0.161 0.000 1.094 465 Y CB 1.889 40.411 38.460 0.104 0.000 1.210 465 Y HN 0.405 nan 8.280 nan 0.000 0.456 466 R N 2.178 122.785 120.500 0.178 0.000 2.480 466 R HA 0.262 4.603 4.340 0.001 0.000 0.306 466 R C -0.765 175.530 176.300 -0.009 0.000 0.958 466 R CA -0.746 55.283 56.100 -0.118 0.000 0.861 466 R CB 1.129 31.229 30.300 -0.333 0.000 1.171 466 R HN 0.847 nan 8.270 nan 0.000 0.445 467 E N 2.183 122.343 120.200 -0.066 0.000 2.452 467 E HA 0.042 4.392 4.350 0.001 0.000 0.261 467 E C 0.555 177.149 176.600 -0.011 0.000 0.987 467 E CA 1.682 58.066 56.400 -0.026 0.000 0.926 467 E CB 0.382 30.053 29.700 -0.048 0.000 0.934 467 E HN 0.860 nan 8.360 nan 0.000 0.452 468 G N 3.708 112.518 108.800 0.017 0.000 2.217 468 G HA2 -0.282 3.679 3.960 0.001 0.000 0.246 468 G HA3 -0.282 3.679 3.960 0.001 0.000 0.246 468 G C -0.081 174.854 174.900 0.057 0.000 0.990 468 G CA 0.319 45.435 45.100 0.025 0.000 0.627 468 G HN 0.576 nan 8.290 nan 0.000 0.522 469 E N -0.273 119.985 120.200 0.096 0.000 2.199 469 E HA 0.512 4.862 4.350 0.001 0.000 0.269 469 E C 0.753 177.456 176.600 0.171 0.000 0.899 469 E CA -0.637 55.849 56.400 0.144 0.000 0.772 469 E CB 1.965 31.800 29.700 0.226 0.000 1.155 469 E HN 0.166 nan 8.360 nan 0.000 0.408 470 K N 2.172 122.656 120.400 0.141 0.000 2.186 470 K HA 0.045 4.366 4.320 0.001 0.000 0.202 470 K C 0.820 177.540 176.600 0.200 0.000 1.052 470 K CA 0.498 56.873 56.287 0.147 0.000 0.965 470 K CB 0.002 32.558 32.500 0.094 0.000 0.746 470 K HN 0.602 nan 8.250 nan 0.000 0.457 471 G N 0.467 109.360 108.800 0.155 0.000 2.630 471 G HA2 0.292 4.253 3.960 0.001 0.000 0.236 471 G HA3 0.292 4.253 3.960 0.001 0.000 0.236 471 G C -0.843 174.145 174.900 0.147 0.000 1.248 471 G CA -0.090 45.075 45.100 0.109 0.000 0.844 471 G HN 0.366 nan 8.290 nan 0.000 0.588 472 A N 0.969 123.816 122.820 0.044 0.000 2.249 472 A HA 0.632 4.953 4.320 0.001 0.000 0.314 472 A C -0.670 176.879 177.584 -0.059 0.000 1.290 472 A CA -0.589 51.417 52.037 -0.052 0.000 0.893 472 A CB 0.311 19.262 19.000 -0.081 0.000 1.165 472 A HN 0.557 nan 8.150 nan 0.000 0.530 473 Y N 1.124 121.345 120.300 -0.131 0.000 2.299 473 Y HA 0.473 5.024 4.550 0.001 0.000 0.335 473 Y C 1.464 177.273 175.900 -0.151 0.000 1.287 473 Y CA 0.583 58.622 58.100 -0.103 0.000 1.424 473 Y CB 1.243 39.625 38.460 -0.130 0.000 1.326 473 Y HN 0.719 nan 8.280 nan 0.000 0.567 474 T N -0.781 113.785 114.554 0.019 0.000 2.900 474 T HA 0.672 5.022 4.350 0.001 0.000 0.295 474 T C -0.867 173.770 174.700 -0.105 0.000 1.044 474 T CA -0.856 61.209 62.100 -0.058 0.000 0.995 474 T CB 1.141 69.942 68.868 -0.111 0.000 1.072 474 T HN 0.416 nan 8.240 nan 0.000 0.473 475 I N 2.775 123.286 120.570 -0.097 0.000 2.297 475 I HA 0.400 4.571 4.170 0.001 0.000 0.291 475 I C 0.902 176.922 176.117 -0.162 0.000 1.033 475 I CA -0.759 60.486 61.300 -0.093 0.000 1.253 475 I CB 0.792 38.769 38.000 -0.039 0.000 1.396 475 I HN 0.506 nan 8.210 nan 0.000 0.476 476 R N 3.468 123.810 120.500 -0.263 0.000 2.936 476 R HA 0.446 4.787 4.340 0.001 0.000 0.218 476 R C -0.416 175.830 176.300 -0.091 0.000 1.528 476 R CA -1.130 54.714 56.100 -0.427 0.000 1.005 476 R CB 0.372 30.143 30.300 -0.881 0.000 2.099 476 R HN 0.335 nan 8.270 nan 0.000 0.527 477 E N 2.139 122.307 120.200 -0.053 0.000 2.568 477 E HA -0.082 4.269 4.350 0.001 0.000 0.262 477 E C -0.138 176.477 176.600 0.025 0.000 0.961 477 E CA 0.639 57.054 56.400 0.024 0.000 0.945 477 E CB -0.070 29.648 29.700 0.031 0.000 0.924 477 E HN 0.463 nan 8.360 nan 0.000 0.467 478 N N 1.890 120.603 118.700 0.021 0.000 2.815 478 N HA -0.257 4.484 4.740 0.001 0.000 0.247 478 N C 0.820 176.332 175.510 0.004 0.000 1.030 478 N CA 1.265 54.321 53.050 0.010 0.000 0.881 478 N CB -1.371 37.122 38.487 0.011 0.000 1.134 478 N HN 0.822 nan 8.380 nan 0.000 0.582 479 G N -1.589 107.214 108.800 0.006 0.000 2.179 479 G HA2 -0.329 3.632 3.960 0.001 0.000 0.260 479 G HA3 -0.329 3.632 3.960 0.001 0.000 0.260 479 G C 0.202 175.105 174.900 0.006 0.000 0.977 479 G CA 0.682 45.780 45.100 -0.003 0.000 0.641 479 G HN 0.493 nan 8.290 nan 0.000 0.533 480 T N 1.136 115.713 114.554 0.039 0.000 2.902 480 T HA 0.390 4.741 4.350 0.001 0.000 0.301 480 T C 0.754 175.521 174.700 0.111 0.000 1.012 480 T CA 0.124 62.267 62.100 0.072 0.000 1.151 480 T CB 2.003 70.951 68.868 0.133 0.000 0.946 480 T HN 0.446 nan 8.240 nan 0.000 0.542 481 V N 4.811 124.744 119.914 0.032 0.000 2.461 481 V HA 0.258 4.379 4.120 0.001 0.000 0.275 481 V C -0.513 175.625 176.094 0.074 0.000 1.047 481 V CA -0.512 61.780 62.300 -0.014 0.000 0.955 481 V CB -0.008 31.661 31.823 -0.257 0.000 0.988 481 V HN 0.690 nan 8.190 nan 0.000 0.471 482 Y N 2.378 122.627 120.300 -0.085 0.000 2.387 482 Y HA 0.471 5.022 4.550 0.001 0.000 0.336 482 Y C 1.091 176.957 175.900 -0.057 0.000 1.067 482 Y CA -0.893 57.169 58.100 -0.063 0.000 1.114 482 Y CB 1.727 40.100 38.460 -0.144 0.000 1.208 482 Y HN 0.789 nan 8.280 nan 0.000 0.458 483 T N -0.003 114.541 114.554 -0.017 0.000 2.748 483 T HA 0.104 4.455 4.350 0.001 0.000 0.304 483 T C -1.966 172.505 174.700 -0.381 0.000 1.041 483 T CA -1.336 60.528 62.100 -0.394 0.000 1.033 483 T CB 0.790 69.529 68.868 -0.216 0.000 0.995 483 T HN 0.368 nan 8.240 nan 0.000 0.536 484 P HA -0.073 nan 4.420 nan 0.000 0.218 484 P C 0.977 178.201 177.300 -0.126 0.000 1.148 484 P CA 1.101 64.036 63.100 -0.275 0.000 0.822 484 P CB -0.109 31.441 31.700 -0.251 0.000 0.784 485 D N -2.014 118.320 120.400 -0.111 0.000 2.349 485 D HA 0.109 4.750 4.640 0.001 0.000 0.224 485 D C 1.171 177.467 176.300 -0.008 0.000 1.029 485 D CA 0.502 54.476 54.000 -0.044 0.000 0.879 485 D CB -0.950 39.829 40.800 -0.034 0.000 0.906 485 D HN 0.191 nan 8.370 nan 0.000 0.528 486 G N 0.139 108.944 108.800 0.009 0.000 2.167 486 G HA2 -0.194 3.767 3.960 0.001 0.000 0.194 486 G HA3 -0.194 3.767 3.960 0.001 0.000 0.194 486 G C -0.346 174.657 174.900 0.171 0.000 1.027 486 G CA -0.448 44.714 45.100 0.103 0.000 0.717 486 G HN 0.238 nan 8.290 nan 0.000 0.501 487 K N 0.277 120.714 120.400 0.062 0.000 2.244 487 K HA 0.775 5.095 4.320 0.001 0.000 0.260 487 K C 0.506 176.898 176.600 -0.347 0.000 0.951 487 K CA -0.112 56.135 56.287 -0.067 0.000 0.826 487 K CB 1.884 34.351 32.500 -0.054 0.000 1.108 487 K HN 0.769 nan 8.250 nan 0.000 0.433 488 A N 2.318 124.714 122.820 -0.706 0.000 2.477 488 A HA 0.302 4.623 4.320 0.001 0.000 0.246 488 A C 0.725 178.066 177.584 -0.405 0.000 1.078 488 A CA 0.151 51.560 52.037 -1.046 0.000 0.770 488 A CB -0.228 18.248 19.000 -0.872 0.000 1.011 488 A HN 0.802 nan 8.150 nan 0.000 0.494 489 T N -1.360 113.036 114.554 -0.263 0.000 2.876 489 T HA 0.455 4.805 4.350 0.001 0.000 0.277 489 T C 0.325 174.981 174.700 -0.074 0.000 0.997 489 T CA 0.332 62.408 62.100 -0.039 0.000 0.966 489 T CB 1.134 70.132 68.868 0.218 0.000 1.312 489 T HN 0.428 nan 8.240 nan 0.000 0.598 490 D N -1.690 118.647 120.400 -0.105 0.000 2.349 490 D HA 0.160 4.801 4.640 0.001 0.000 0.214 490 D C -0.696 175.455 176.300 -0.248 0.000 1.063 490 D CA -0.311 53.566 54.000 -0.204 0.000 0.847 490 D CB -0.265 40.374 40.800 -0.269 0.000 0.933 490 D HN 0.486 nan 8.370 nan 0.000 0.513 491 Y N 0.566 120.873 120.300 0.012 0.000 2.320 491 Y HA 0.468 5.018 4.550 0.001 0.000 0.324 491 Y C 0.771 176.654 175.900 -0.029 0.000 1.190 491 Y CA -0.590 57.524 58.100 0.023 0.000 1.215 491 Y CB 1.090 39.574 38.460 0.039 0.000 1.221 491 Y HN -0.289 nan 8.280 nan 0.000 0.486 492 R N 1.349 121.950 120.500 0.168 0.000 2.651 492 R HA 0.719 5.059 4.340 0.001 0.000 0.278 492 R C -2.297 174.061 176.300 0.096 0.000 1.010 492 R CA -0.662 55.487 56.100 0.081 0.000 0.896 492 R CB 1.594 31.917 30.300 0.038 0.000 1.211 492 R HN 0.565 nan 8.270 nan 0.000 0.456 493 V N 3.773 123.702 119.914 0.025 0.000 2.547 493 V HA 0.313 4.433 4.120 0.001 0.000 0.299 493 V C -0.057 176.046 176.094 0.016 0.000 1.040 493 V CA -0.844 61.459 62.300 0.006 0.000 0.913 493 V CB 1.877 33.659 31.823 -0.068 0.000 0.992 493 V HN 0.546 nan 8.190 nan 0.000 0.449 494 V N 5.743 125.681 119.914 0.041 0.000 2.364 494 V HA 0.038 4.158 4.120 0.001 0.000 0.252 494 V C 1.019 177.116 176.094 0.006 0.000 1.075 494 V CA 0.496 62.817 62.300 0.035 0.000 1.033 494 V CB 0.946 32.825 31.823 0.094 0.000 1.116 494 V HN 0.840 nan 8.190 nan 0.000 0.488 495 V N 0.197 120.105 119.914 -0.009 0.000 3.590 495 V HA 0.318 4.439 4.120 0.001 0.000 0.265 495 V C 0.433 176.506 176.094 -0.035 0.000 1.239 495 V CA 0.550 62.835 62.300 -0.025 0.000 1.117 495 V CB 0.150 31.960 31.823 -0.020 0.000 0.818 495 V HN 0.691 nan 8.190 nan 0.000 0.451 496 D N 2.963 123.355 120.400 -0.012 0.000 2.502 496 D HA 0.339 4.980 4.640 0.001 0.000 0.301 496 D C -2.638 173.690 176.300 0.047 0.000 1.202 496 D CA -1.016 52.981 54.000 -0.005 0.000 0.878 496 D CB 1.162 41.962 40.800 -0.000 0.000 1.062 496 D HN 0.398 nan 8.370 nan 0.000 0.499 497 P HA -0.025 nan 4.420 nan 0.000 0.267 497 P C 0.827 178.305 177.300 0.296 0.000 1.200 497 P CA -0.130 63.090 63.100 0.201 0.000 0.772 497 P CB 1.582 33.448 31.700 0.276 0.000 0.855 498 V N -1.334 118.699 119.914 0.199 0.000 3.451 498 V HA 0.280 4.400 4.120 0.001 0.000 0.288 498 V C 0.624 176.728 176.094 0.017 0.000 1.502 498 V CA 0.053 62.431 62.300 0.129 0.000 1.026 498 V CB -0.460 31.410 31.823 0.077 0.000 0.840 498 V HN 0.243 nan 8.190 nan 0.000 0.437 499 K N 1.732 122.142 120.400 0.016 0.000 2.126 499 K HA 0.446 4.766 4.320 0.001 0.000 0.257 499 K C -2.571 173.928 176.600 -0.168 0.000 1.007 499 K CA -1.779 54.486 56.287 -0.037 0.000 0.928 499 K CB 0.344 32.858 32.500 0.024 0.000 1.013 499 K HN 0.139 nan 8.250 nan 0.000 0.473 500 P HA -0.104 nan 4.420 nan 0.000 0.265 500 P C -0.380 176.819 177.300 -0.168 0.000 1.193 500 P CA 0.812 63.808 63.100 -0.174 0.000 0.765 500 P CB 0.584 32.238 31.700 -0.076 0.000 0.823 501 A N 3.488 126.166 122.820 -0.237 0.000 3.153 501 A HA -0.287 4.034 4.320 0.001 0.000 0.265 501 A C 0.636 178.244 177.584 0.040 0.000 1.212 501 A CA 1.071 53.058 52.037 -0.082 0.000 1.018 501 A CB -2.980 16.017 19.000 -0.005 0.000 1.130 501 A HN 0.628 nan 8.150 nan 0.000 0.873 502 Y N -1.543 118.804 120.300 0.077 0.000 3.491 502 Y HA -0.305 4.246 4.550 0.001 0.000 0.215 502 Y C 1.640 177.612 175.900 0.119 0.000 1.219 502 Y CA 1.396 59.550 58.100 0.090 0.000 1.485 502 Y CB -2.502 36.012 38.460 0.090 0.000 1.450 502 Y HN 1.275 nan 8.280 nan 0.000 0.603 503 S N -0.806 114.995 115.700 0.169 0.000 2.500 503 S HA -0.167 4.304 4.470 0.001 0.000 0.239 503 S C 1.344 176.053 174.600 0.182 0.000 0.989 503 S CA 1.137 59.440 58.200 0.171 0.000 0.951 503 S CB -0.060 63.208 63.200 0.113 0.000 0.759 503 S HN 0.679 nan 8.310 nan 0.000 0.523 504 D N 0.532 121.039 120.400 0.178 0.000 2.349 504 D HA 0.074 4.715 4.640 0.001 0.000 0.214 504 D C 0.457 176.852 176.300 0.158 0.000 1.063 504 D CA -0.180 53.914 54.000 0.157 0.000 0.847 504 D CB -0.316 40.573 40.800 0.149 0.000 0.933 504 D HN 0.423 nan 8.370 nan 0.000 0.513 505 K N 0.580 121.111 120.400 0.217 0.000 2.451 505 K HA 0.233 4.554 4.320 0.001 0.000 0.280 505 K C 1.055 177.752 176.600 0.161 0.000 1.020 505 K CA 1.109 57.521 56.287 0.208 0.000 1.008 505 K CB 0.140 32.805 32.500 0.275 0.000 0.917 505 K HN 0.168 nan 8.250 nan 0.000 0.478 506 G N 3.010 111.773 108.800 -0.060 0.000 2.195 506 G HA2 -0.218 3.743 3.960 0.001 0.000 0.246 506 G HA3 -0.218 3.743 3.960 0.001 0.000 0.246 506 G C -0.362 174.320 174.900 -0.364 0.000 0.984 506 G CA 0.112 44.916 45.100 -0.494 0.000 0.633 506 G HN 0.736 nan 8.290 nan 0.000 0.525 507 D N 0.672 120.983 120.400 -0.148 0.000 2.488 507 D HA 0.322 4.963 4.640 0.001 0.000 0.238 507 D C 0.459 176.729 176.300 -0.050 0.000 1.138 507 D CA 0.131 54.060 54.000 -0.119 0.000 0.873 507 D CB 0.920 41.748 40.800 0.048 0.000 1.183 507 D HN 0.187 nan 8.370 nan 0.000 0.458 508 L N 4.331 125.473 121.223 -0.135 0.000 2.287 508 L HA 0.331 4.671 4.340 0.001 0.000 0.287 508 L C -1.310 175.549 176.870 -0.019 0.000 1.022 508 L CA -0.499 54.333 54.840 -0.014 0.000 0.814 508 L CB 0.117 42.163 42.059 -0.022 0.000 1.217 508 L HN 0.326 nan 8.230 nan 0.000 0.420 509 Y N 3.740 124.083 120.300 0.071 0.000 2.528 509 Y HA 0.425 4.976 4.550 0.001 0.000 0.335 509 Y C 0.202 176.171 175.900 0.115 0.000 1.093 509 Y CA -0.636 57.508 58.100 0.074 0.000 1.134 509 Y CB 1.688 40.162 38.460 0.025 0.000 1.253 509 Y HN 0.425 nan 8.280 nan 0.000 0.478 510 K N 1.700 122.222 120.400 0.203 0.000 2.579 510 K HA 0.489 4.809 4.320 0.001 0.000 0.225 510 K C 0.339 176.937 176.600 -0.004 0.000 0.992 510 K CA 0.443 56.706 56.287 -0.040 0.000 1.018 510 K CB 0.190 32.619 32.500 -0.119 0.000 1.249 510 K HN 0.932 nan 8.250 nan 0.000 0.489 511 G N 3.696 112.487 108.800 -0.015 0.000 2.559 511 G HA2 -0.379 3.581 3.960 0.001 0.000 0.282 511 G HA3 -0.379 3.581 3.960 0.001 0.000 0.282 511 G C 0.201 175.125 174.900 0.040 0.000 1.177 511 G CA 0.367 45.459 45.100 -0.012 0.000 0.960 511 G HN 0.725 nan 8.290 nan 0.000 0.540 512 N N 1.041 119.779 118.700 0.064 0.000 2.203 512 N HA 0.233 4.974 4.740 0.001 0.000 0.207 512 N C 0.565 176.229 175.510 0.256 0.000 1.130 512 N CA 0.637 53.742 53.050 0.092 0.000 0.861 512 N CB 0.970 39.475 38.487 0.030 0.000 1.005 512 N HN 0.675 nan 8.380 nan 0.000 0.507 513 Q N 1.446 121.405 119.800 0.266 0.000 2.314 513 Q HA 0.345 4.686 4.340 0.001 0.000 0.259 513 Q C -1.170 174.859 176.000 0.047 0.000 0.951 513 Q CA -0.722 55.186 55.803 0.174 0.000 0.909 513 Q CB 1.145 29.925 28.738 0.069 0.000 1.236 513 Q HN 0.277 nan 8.270 nan 0.000 0.444 514 L N 5.554 126.640 121.223 -0.229 0.000 2.418 514 L HA 0.197 4.537 4.340 0.001 0.000 0.274 514 L C -0.570 176.108 176.870 -0.320 0.000 1.135 514 L CA 0.786 55.166 54.840 -0.767 0.000 0.870 514 L CB 0.236 41.932 42.059 -0.604 0.000 1.154 514 L HN 0.998 nan 8.230 nan 0.000 0.462 515 L N 4.580 125.642 121.223 -0.270 0.000 2.467 515 L HA 0.518 4.858 4.340 0.001 0.000 0.213 515 L C 1.097 177.927 176.870 -0.066 0.000 1.053 515 L CA 0.477 55.262 54.840 -0.091 0.000 0.847 515 L CB -0.039 42.027 42.059 0.011 0.000 1.075 515 L HN 0.840 nan 8.230 nan 0.000 0.479 516 G N -0.626 108.101 108.800 -0.120 0.000 2.474 516 G HA2 0.157 4.118 3.960 0.001 0.000 0.234 516 G HA3 0.157 4.118 3.960 0.001 0.000 0.234 516 G C -1.973 172.742 174.900 -0.309 0.000 1.204 516 G CA -0.450 44.599 45.100 -0.085 0.000 0.939 516 G HN 0.053 nan 8.290 nan 0.000 0.491 517 N N -0.719 117.646 118.700 -0.558 0.000 2.324 517 N HA 0.378 5.119 4.740 0.001 0.000 0.285 517 N C 1.204 176.358 175.510 -0.594 0.000 1.076 517 N CA -0.460 52.092 53.050 -0.830 0.000 0.864 517 N CB 1.831 39.323 38.487 -1.658 0.000 1.632 517 N HN 0.685 nan 8.380 nan 0.000 0.478 518 I N -0.113 120.161 120.570 -0.494 0.000 2.916 518 I HA -0.084 4.086 4.170 0.001 0.000 0.267 518 I C 0.169 176.199 176.117 -0.144 0.000 1.263 518 I CA 0.988 62.106 61.300 -0.304 0.000 1.471 518 I CB -0.307 37.492 38.000 -0.335 0.000 1.089 518 I HN 0.586 nan 8.210 nan 0.000 0.468 519 Y N 0.293 120.552 120.300 -0.068 0.000 2.466 519 Y HA 0.334 4.885 4.550 0.001 0.000 0.272 519 Y C 0.910 176.975 175.900 0.274 0.000 1.169 519 Y CA -0.776 57.372 58.100 0.081 0.000 1.285 519 Y CB 0.013 38.529 38.460 0.093 0.000 1.078 519 Y HN 0.008 nan 8.280 nan 0.000 0.523 520 F N 1.075 121.125 119.950 0.167 0.000 2.399 520 F HA 0.094 4.622 4.527 0.001 0.000 0.342 520 F C 1.273 177.126 175.800 0.089 0.000 1.106 520 F CA -0.235 57.831 58.000 0.110 0.000 1.196 520 F CB 1.403 40.440 39.000 0.062 0.000 1.163 520 F HN -0.042 nan 8.300 nan 0.000 0.547 521 T N -2.743 111.959 114.554 0.247 0.000 3.004 521 T HA 0.105 4.456 4.350 0.001 0.000 0.266 521 T C 0.280 175.028 174.700 0.079 0.000 0.986 521 T CA 0.097 62.285 62.100 0.146 0.000 0.902 521 T CB 0.152 69.092 68.868 0.121 0.000 1.118 521 T HN 0.615 nan 8.240 nan 0.000 0.522 522 T N -0.261 114.325 114.554 0.053 0.000 2.906 522 T HA 0.487 4.838 4.350 0.001 0.000 0.295 522 T C -0.357 174.341 174.700 -0.004 0.000 1.061 522 T CA -0.669 61.437 62.100 0.009 0.000 1.000 522 T CB 0.959 69.816 68.868 -0.019 0.000 1.103 522 T HN 0.258 nan 8.240 nan 0.000 0.486 523 N N 0.871 119.566 118.700 -0.009 0.000 2.707 523 N HA -0.176 4.565 4.740 0.001 0.000 0.253 523 N C -0.510 175.006 175.510 0.009 0.000 0.998 523 N CA 0.314 53.356 53.050 -0.013 0.000 0.751 523 N CB -0.919 37.547 38.487 -0.035 0.000 0.920 523 N HN 0.611 nan 8.380 nan 0.000 0.539 524 K N 0.016 120.439 120.400 0.037 0.000 2.319 524 K HA 0.065 4.386 4.320 0.001 0.000 0.265 524 K C 1.555 178.184 176.600 0.047 0.000 1.000 524 K CA 0.782 57.118 56.287 0.081 0.000 0.943 524 K CB 0.464 33.006 32.500 0.069 0.000 0.950 524 K HN 0.293 nan 8.250 nan 0.000 0.485 525 T N -3.182 111.416 114.554 0.072 0.000 3.010 525 T HA 0.027 4.377 4.350 0.001 0.000 0.257 525 T C 0.690 175.392 174.700 0.004 0.000 1.020 525 T CA -0.355 61.766 62.100 0.035 0.000 0.938 525 T CB 0.176 69.076 68.868 0.053 0.000 1.049 525 T HN 0.496 nan 8.240 nan 0.000 0.522 526 S N 1.204 116.897 115.700 -0.012 0.000 2.689 526 S HA 0.660 5.131 4.470 0.001 0.000 0.306 526 S C -2.566 171.919 174.600 -0.191 0.000 1.104 526 S CA -1.364 56.796 58.200 -0.067 0.000 0.973 526 S CB 1.830 65.009 63.200 -0.035 0.000 1.121 526 S HN -0.068 nan 8.310 nan 0.000 0.523 527 P HA 0.348 nan 4.420 nan 0.000 0.251 527 P C -0.851 175.905 177.300 -0.907 0.000 1.223 527 P CA 0.232 62.888 63.100 -0.740 0.000 0.796 527 P CB -0.085 30.955 31.700 -1.099 0.000 1.068 528 F N 0.971 120.767 119.950 -0.257 0.000 2.522 528 F HA 0.575 5.103 4.527 0.001 0.000 0.324 528 F C 0.955 176.685 175.800 -0.116 0.000 1.077 528 F CA -1.039 56.824 58.000 -0.227 0.000 0.944 528 F CB 1.748 40.560 39.000 -0.313 0.000 1.175 528 F HN -0.313 nan 8.300 nan 0.000 0.468 529 R N 2.368 122.968 120.500 0.166 0.000 2.707 529 R HA 0.783 5.123 4.340 0.001 0.000 0.272 529 R C -1.221 175.195 176.300 0.193 0.000 1.011 529 R CA -0.976 55.214 56.100 0.150 0.000 0.893 529 R CB 1.747 32.145 30.300 0.162 0.000 1.233 529 R HN 0.753 nan 8.270 nan 0.000 0.464 530 I N -0.150 120.534 120.570 0.189 0.000 3.276 530 I HA 0.601 4.772 4.170 0.001 0.000 0.306 530 I C 0.415 176.731 176.117 0.331 0.000 1.060 530 I CA -0.961 60.462 61.300 0.205 0.000 1.133 530 I CB 0.732 38.840 38.000 0.179 0.000 1.473 530 I HN 0.787 nan 8.210 nan 0.000 0.649 531 A N 2.064 125.105 122.820 0.368 0.000 2.445 531 A HA 0.222 4.543 4.320 0.001 0.000 0.242 531 A C 0.071 177.831 177.584 0.294 0.000 1.075 531 A CA -0.426 51.837 52.037 0.376 0.000 0.777 531 A CB -0.075 19.119 19.000 0.323 0.000 1.013 531 A HN 0.721 nan 8.150 nan 0.000 0.493 532 K N 2.000 122.503 120.400 0.173 0.000 2.262 532 K HA 0.320 4.640 4.320 0.001 0.000 0.288 532 K C -0.977 175.678 176.600 0.091 0.000 1.090 532 K CA 0.036 56.415 56.287 0.153 0.000 0.918 532 K CB 0.262 32.812 32.500 0.084 0.000 1.139 532 K HN 0.772 nan 8.250 nan 0.000 0.462 533 D N 0.240 120.690 120.400 0.082 0.000 2.779 533 D HA 0.109 4.749 4.640 0.001 0.000 0.331 533 D C -1.461 174.674 176.300 -0.275 0.000 1.331 533 D CA -0.493 53.416 54.000 -0.151 0.000 0.866 533 D CB 1.587 42.155 40.800 -0.387 0.000 1.409 533 D HN 0.203 nan 8.370 nan 0.000 0.486 534 S N 0.259 115.686 115.700 -0.456 0.000 2.462 534 S HA 0.675 5.145 4.470 0.001 0.000 0.294 534 S C -1.304 172.797 174.600 -0.832 0.000 1.144 534 S CA -0.358 57.429 58.200 -0.688 0.000 1.088 534 S CB 0.010 63.011 63.200 -0.330 0.000 1.009 534 S HN 0.307 nan 8.310 nan 0.000 0.484 535 Y N 2.354 122.291 120.300 -0.605 0.000 2.598 535 Y HA 0.726 5.277 4.550 0.001 0.000 0.340 535 Y C -0.511 175.127 175.900 -0.438 0.000 1.038 535 Y CA -1.195 56.676 58.100 -0.383 0.000 1.100 535 Y CB 1.476 39.764 38.460 -0.286 0.000 1.281 535 Y HN 0.572 nan 8.280 nan 0.000 0.488 536 L N 1.567 122.756 121.223 -0.057 0.000 2.376 536 L HA 0.535 4.876 4.340 0.001 0.000 0.275 536 L C -1.906 175.005 176.870 0.069 0.000 0.987 536 L CA -0.623 54.131 54.840 -0.144 0.000 0.828 536 L CB 0.706 42.635 42.059 -0.216 0.000 1.249 536 L HN 0.535 nan 8.230 nan 0.000 0.409 537 W N 5.632 126.660 121.300 -0.454 0.000 2.655 537 W HA 0.741 5.402 4.660 0.001 0.000 0.358 537 W C -0.269 175.798 176.519 -0.753 0.000 1.100 537 W CA -1.026 55.984 57.345 -0.558 0.000 1.195 537 W CB 1.696 30.813 29.460 -0.572 0.000 1.403 537 W HN 0.263 nan 8.180 nan 0.000 0.589 538 M N 1.967 121.401 119.600 -0.277 0.000 2.378 538 M HA 0.508 4.989 4.480 0.001 0.000 0.289 538 M C -1.572 174.791 176.300 0.104 0.000 1.136 538 M CA -0.150 55.074 55.300 -0.128 0.000 0.917 538 M CB 2.036 34.595 32.600 -0.069 0.000 1.669 538 M HN 0.346 nan 8.290 nan 0.000 0.461 539 S N 3.953 119.846 115.700 0.322 0.000 2.548 539 S HA 0.849 5.320 4.470 0.001 0.000 0.286 539 S C -1.576 173.377 174.600 0.588 0.000 1.098 539 S CA -0.492 57.927 58.200 0.365 0.000 0.930 539 S CB 1.820 65.261 63.200 0.401 0.000 1.070 539 S HN 0.621 nan 8.310 nan 0.000 0.480 540 Y N -0.719 119.833 120.300 0.421 0.000 2.576 540 Y HA 0.863 5.413 4.550 0.001 0.000 0.346 540 Y C -0.455 175.369 175.900 -0.127 0.000 1.018 540 Y CA -1.157 57.030 58.100 0.145 0.000 1.050 540 Y CB 1.216 39.579 38.460 -0.162 0.000 1.280 540 Y HN 0.497 nan 8.280 nan 0.000 0.474 541 S N 0.679 116.154 115.700 -0.376 0.000 2.532 541 S HA 0.407 4.878 4.470 0.001 0.000 0.299 541 S C -0.876 173.534 174.600 -0.316 0.000 1.105 541 S CA -0.622 57.179 58.200 -0.664 0.000 1.018 541 S CB 0.968 63.252 63.200 -1.527 0.000 1.021 541 S HN 0.780 nan 8.310 nan 0.000 0.483 542 D N 2.233 122.523 120.400 -0.184 0.000 2.395 542 D HA 0.147 4.788 4.640 0.001 0.000 0.213 542 D C -0.252 175.972 176.300 -0.127 0.000 1.110 542 D CA 0.246 54.177 54.000 -0.115 0.000 0.835 542 D CB 0.517 41.300 40.800 -0.028 0.000 0.965 542 D HN 0.746 nan 8.370 nan 0.000 0.505 543 D N -0.234 120.059 120.400 -0.179 0.000 2.891 543 D HA 0.107 4.748 4.640 0.001 0.000 0.332 543 D C -0.038 176.179 176.300 -0.140 0.000 1.369 543 D CA -0.590 53.330 54.000 -0.133 0.000 0.827 543 D CB 0.135 40.872 40.800 -0.104 0.000 1.141 543 D HN -0.257 nan 8.370 nan 0.000 0.464 544 D N -0.078 120.233 120.400 -0.149 0.000 2.870 544 D HA -0.149 4.491 4.640 0.001 0.000 0.228 544 D C 1.318 177.559 176.300 -0.099 0.000 1.147 544 D CA 1.977 55.915 54.000 -0.103 0.000 0.757 544 D CB -1.211 39.554 40.800 -0.058 0.000 1.091 544 D HN 0.773 nan 8.370 nan 0.000 0.429 545 G N -0.983 107.666 108.800 -0.251 0.000 2.175 545 G HA2 -0.409 3.551 3.960 0.001 0.000 0.244 545 G HA3 -0.409 3.551 3.960 0.001 0.000 0.244 545 G C 1.152 176.048 174.900 -0.007 0.000 0.982 545 G CA 0.778 45.778 45.100 -0.167 0.000 0.641 545 G HN 0.541 nan 8.290 nan 0.000 0.527 546 K N 0.140 120.492 120.400 -0.079 0.000 2.057 546 K HA 0.100 4.421 4.320 0.001 0.000 0.206 546 K C 1.452 178.079 176.600 0.046 0.000 1.050 546 K CA 1.627 57.925 56.287 0.018 0.000 0.935 546 K CB -0.089 32.403 32.500 -0.014 0.000 0.715 546 K HN 0.687 nan 8.250 nan 0.000 0.439 547 T N -2.334 112.152 114.554 -0.114 0.000 2.906 547 T HA 0.507 4.858 4.350 0.001 0.000 0.295 547 T C -1.376 173.169 174.700 -0.259 0.000 1.061 547 T CA -1.012 61.080 62.100 -0.014 0.000 1.000 547 T CB 1.303 70.174 68.868 0.005 0.000 1.103 547 T HN 0.107 nan 8.240 nan 0.000 0.486 548 W N 0.941 122.279 121.300 0.064 0.000 2.882 548 W HA 0.653 5.313 4.660 0.001 0.000 0.345 548 W C 0.511 177.037 176.519 0.012 0.000 1.125 548 W CA -0.760 56.604 57.345 0.032 0.000 1.167 548 W CB 1.780 31.296 29.460 0.093 0.000 1.431 548 W HN 0.994 nan 8.180 nan 0.000 0.543 549 S N 1.164 116.823 115.700 -0.069 0.000 2.624 549 S HA 0.749 5.219 4.470 0.001 0.000 0.263 549 S C 0.180 174.551 174.600 -0.381 0.000 1.287 549 S CA -0.634 57.364 58.200 -0.337 0.000 0.990 549 S CB 0.762 63.334 63.200 -1.046 0.000 0.950 549 S HN 0.734 nan 8.310 nan 0.000 0.561 550 A N 1.387 123.806 122.820 -0.667 0.000 2.386 550 A HA 0.569 4.890 4.320 0.001 0.000 0.248 550 A C -2.440 174.806 177.584 -0.565 0.000 1.082 550 A CA -1.560 49.778 52.037 -1.165 0.000 0.789 550 A CB -1.011 17.497 19.000 -0.820 0.000 1.025 550 A HN 0.699 nan 8.150 nan 0.000 0.490 551 P HA 0.145 nan 4.420 nan 0.000 0.268 551 P C -0.712 176.296 177.300 -0.488 0.000 1.204 551 P CA 0.182 63.061 63.100 -0.369 0.000 0.768 551 P CB 0.414 31.858 31.700 -0.427 0.000 0.842 552 Q N 2.279 121.862 119.800 -0.361 0.000 2.322 552 Q HA 0.268 4.609 4.340 0.001 0.000 0.265 552 Q C -0.985 174.778 176.000 -0.394 0.000 0.985 552 Q CA -0.770 54.856 55.803 -0.295 0.000 0.849 552 Q CB 0.910 29.615 28.738 -0.054 0.000 1.274 552 Q HN 0.244 nan 8.270 nan 0.000 0.449 553 D N 4.599 124.762 120.400 -0.394 0.000 2.352 553 D HA 0.083 4.723 4.640 0.001 0.000 0.245 553 D C 0.667 176.931 176.300 -0.061 0.000 1.224 553 D CA -0.255 53.622 54.000 -0.206 0.000 0.879 553 D CB 0.441 41.206 40.800 -0.059 0.000 1.057 553 D HN 0.674 nan 8.370 nan 0.000 0.491 554 I N 0.377 120.916 120.570 -0.052 0.000 3.883 554 I HA 0.064 4.235 4.170 0.001 0.000 0.326 554 I C 1.201 177.252 176.117 -0.110 0.000 1.283 554 I CA -0.336 60.903 61.300 -0.103 0.000 1.161 554 I CB -0.075 37.786 38.000 -0.231 0.000 1.012 554 I HN 0.075 nan 8.210 nan 0.000 0.421 555 T N 3.007 117.544 114.554 -0.028 0.000 2.653 555 T HA -0.106 4.245 4.350 0.001 0.000 0.268 555 T C -0.225 174.362 174.700 -0.189 0.000 1.035 555 T CA 2.163 64.237 62.100 -0.044 0.000 1.154 555 T CB -1.666 67.332 68.868 0.215 0.000 0.862 555 T HN 0.440 nan 8.240 nan 0.000 0.441 556 P HA -0.002 nan 4.420 nan 0.000 0.225 556 P C 1.292 178.433 177.300 -0.264 0.000 1.148 556 P CA 1.112 63.916 63.100 -0.492 0.000 0.779 556 P CB -0.232 30.992 31.700 -0.793 0.000 0.780 557 M N -0.725 118.755 119.600 -0.200 0.000 2.447 557 M HA -0.021 4.460 4.480 0.001 0.000 0.264 557 M C 1.708 177.931 176.300 -0.127 0.000 1.095 557 M CA 1.203 56.411 55.300 -0.152 0.000 1.125 557 M CB 0.039 32.558 32.600 -0.135 0.000 1.389 557 M HN -0.111 nan 8.290 nan 0.000 0.459 558 V N -4.160 115.674 119.914 -0.134 0.000 3.485 558 V HA 0.275 4.395 4.120 0.001 0.000 0.280 558 V C 0.362 176.366 176.094 -0.150 0.000 1.495 558 V CA -0.394 61.836 62.300 -0.117 0.000 1.018 558 V CB -0.174 31.582 31.823 -0.112 0.000 0.818 558 V HN 0.131 nan 8.190 nan 0.000 0.436 559 K N 2.253 122.543 120.400 -0.182 0.000 2.253 559 K HA 0.739 5.059 4.320 0.001 0.000 0.277 559 K C 0.336 176.790 176.600 -0.243 0.000 1.053 559 K CA 0.142 56.284 56.287 -0.242 0.000 0.892 559 K CB 1.319 33.679 32.500 -0.233 0.000 1.102 559 K HN 0.554 nan 8.250 nan 0.000 0.469 560 A N 3.429 126.032 122.820 -0.362 0.000 2.366 560 A HA 0.064 4.385 4.320 0.001 0.000 0.249 560 A C 0.482 177.864 177.584 -0.337 0.000 1.084 560 A CA -0.257 51.568 52.037 -0.352 0.000 0.794 560 A CB 0.251 18.924 19.000 -0.545 0.000 1.034 560 A HN 0.921 nan 8.150 nan 0.000 0.491 561 D N 0.496 120.817 120.400 -0.131 0.000 2.218 561 D HA -0.140 4.501 4.640 0.001 0.000 0.204 561 D C 1.660 177.972 176.300 0.019 0.000 0.976 561 D CA 1.648 55.631 54.000 -0.027 0.000 0.853 561 D CB -0.129 40.708 40.800 0.061 0.000 0.939 561 D HN 0.898 nan 8.370 nan 0.000 0.481 562 W N 0.300 121.621 121.300 0.036 0.000 2.658 562 W HA 0.161 4.822 4.660 0.001 0.000 0.263 562 W C 0.451 176.995 176.519 0.042 0.000 1.274 562 W CA -0.440 56.929 57.345 0.040 0.000 1.343 562 W CB -0.684 28.807 29.460 0.053 0.000 1.106 562 W HN -0.177 nan 8.180 nan 0.000 0.615 563 M N 2.389 121.643 119.600 -0.577 0.000 2.252 563 M HA 0.019 4.499 4.480 0.001 0.000 0.348 563 M C 1.362 177.577 176.300 -0.141 0.000 1.334 563 M CA 0.811 55.780 55.300 -0.552 0.000 1.071 563 M CB 1.397 33.500 32.600 -0.828 0.000 1.763 563 M HN -0.089 nan 8.290 nan 0.000 0.452 564 K N 3.445 123.863 120.400 0.030 0.000 2.139 564 K HA 0.172 4.492 4.320 0.001 0.000 0.217 564 K C 0.023 176.660 176.600 0.063 0.000 1.025 564 K CA 0.177 56.502 56.287 0.062 0.000 0.947 564 K CB 0.213 32.796 32.500 0.138 0.000 0.897 564 K HN 0.501 nan 8.250 nan 0.000 0.457 565 F N 1.757 121.723 119.950 0.026 0.000 2.379 565 F HA 0.481 5.009 4.527 0.001 0.000 0.332 565 F C -1.163 174.550 175.800 -0.146 0.000 1.096 565 F CA -0.986 56.999 58.000 -0.026 0.000 1.105 565 F CB 1.212 40.245 39.000 0.056 0.000 1.189 565 F HN 0.078 nan 8.300 nan 0.000 0.515 566 L N 5.601 126.067 121.223 -1.262 0.000 2.541 566 L HA 0.801 5.141 4.340 0.001 0.000 0.266 566 L C -0.970 175.043 176.870 -1.430 0.000 0.966 566 L CA 0.070 54.247 54.840 -1.105 0.000 0.871 566 L CB 1.475 43.175 42.059 -0.598 0.000 1.232 566 L HN 0.806 nan 8.230 nan 0.000 0.408 567 G N 2.710 110.650 108.800 -1.433 0.000 2.695 567 G HA2 0.619 4.580 3.960 0.001 0.000 0.290 567 G HA3 0.619 4.580 3.960 0.001 0.000 0.290 567 G C -1.044 173.710 174.900 -0.243 0.000 1.410 567 G CA -0.151 44.499 45.100 -0.750 0.000 0.844 567 G HN 0.980 nan 8.290 nan 0.000 0.478 568 V N -1.469 118.447 119.914 0.003 0.000 2.953 568 V HA 0.811 4.932 4.120 0.001 0.000 0.304 568 V C 0.792 177.090 176.094 0.341 0.000 1.073 568 V CA -0.028 62.355 62.300 0.138 0.000 1.064 568 V CB 1.392 33.283 31.823 0.114 0.000 1.047 568 V HN 1.263 nan 8.190 nan 0.000 0.478 569 G N 3.262 112.241 108.800 0.300 0.000 2.571 569 G HA2 0.540 4.501 3.960 0.001 0.000 0.327 569 G HA3 0.540 4.501 3.960 0.001 0.000 0.327 569 G C -2.127 172.895 174.900 0.205 0.000 1.008 569 G CA -1.301 43.957 45.100 0.264 0.000 1.136 569 G HN 0.800 nan 8.290 nan 0.000 0.444 570 P HA 0.249 nan 4.420 nan 0.000 0.266 570 P C 0.815 178.220 177.300 0.175 0.000 1.193 570 P CA 0.969 64.198 63.100 0.215 0.000 0.770 570 P CB 1.631 33.496 31.700 0.275 0.000 0.836 571 G N 1.778 110.685 108.800 0.178 0.000 2.295 571 G HA2 0.059 4.020 3.960 0.001 0.000 0.155 571 G HA3 0.059 4.020 3.960 0.001 0.000 0.155 571 G C -1.397 173.616 174.900 0.190 0.000 1.307 571 G CA -0.456 44.747 45.100 0.172 0.000 1.140 571 G HN 0.570 nan 8.290 nan 0.000 0.470 572 T N 1.052 115.723 114.554 0.195 0.000 2.809 572 T HA 0.667 5.017 4.350 0.001 0.000 0.284 572 T C 0.721 175.550 174.700 0.215 0.000 0.992 572 T CA 0.416 62.645 62.100 0.214 0.000 0.957 572 T CB 1.241 70.242 68.868 0.222 0.000 0.942 572 T HN 1.258 nan 8.240 nan 0.000 0.439 573 G N 2.095 111.031 108.800 0.226 0.000 2.588 573 G HA2 0.736 4.697 3.960 0.001 0.000 0.278 573 G HA3 0.736 4.697 3.960 0.001 0.000 0.278 573 G C -0.195 174.842 174.900 0.229 0.000 1.307 573 G CA -0.684 44.553 45.100 0.228 0.000 1.016 573 G HN 0.909 nan 8.290 nan 0.000 0.503 574 I N -4.140 116.564 120.570 0.223 0.000 3.264 574 I HA 0.772 4.943 4.170 0.001 0.000 0.315 574 I C -1.267 174.964 176.117 0.189 0.000 1.154 574 I CA -1.273 60.149 61.300 0.203 0.000 0.962 574 I CB 2.272 40.386 38.000 0.189 0.000 1.265 574 I HN 0.289 nan 8.210 nan 0.000 0.463 575 V N 3.509 123.520 119.914 0.162 0.000 2.531 575 V HA 0.383 4.503 4.120 0.001 0.000 0.301 575 V C 0.120 176.277 176.094 0.104 0.000 1.034 575 V CA -0.645 61.737 62.300 0.137 0.000 0.865 575 V CB 1.624 33.535 31.823 0.146 0.000 0.995 575 V HN 0.533 nan 8.190 nan 0.000 0.424 576 L N 5.223 126.497 121.223 0.084 0.000 2.540 576 L HA 0.227 4.567 4.340 0.001 0.000 0.276 576 L C 1.510 178.407 176.870 0.044 0.000 1.212 576 L CA 0.263 55.138 54.840 0.058 0.000 0.893 576 L CB 0.235 42.325 42.059 0.053 0.000 1.138 576 L HN 0.709 nan 8.230 nan 0.000 0.491 577 R N 1.891 122.404 120.500 0.021 0.000 2.223 577 R HA 0.054 4.395 4.340 0.001 0.000 0.198 577 R C 0.010 176.311 176.300 0.003 0.000 0.984 577 R CA 0.427 56.534 56.100 0.011 0.000 1.018 577 R CB -0.005 30.286 30.300 -0.015 0.000 0.945 577 R HN 0.813 nan 8.270 nan 0.000 0.479 578 N N -1.182 117.516 118.700 -0.004 0.000 2.972 578 N HA 0.518 5.259 4.740 0.001 0.000 0.262 578 N C -0.324 175.176 175.510 -0.017 0.000 1.478 578 N CA -0.153 52.890 53.050 -0.012 0.000 0.841 578 N CB 1.193 39.670 38.487 -0.016 0.000 1.512 578 N HN 0.028 nan 8.380 nan 0.000 0.548 579 G N -1.014 107.764 108.800 -0.036 0.000 2.796 579 G HA2 -0.125 3.835 3.960 0.001 0.000 0.571 579 G HA3 -0.125 3.835 3.960 0.001 0.000 0.571 579 G C -1.889 172.935 174.900 -0.128 0.000 1.370 579 G CA -0.323 44.737 45.100 -0.067 0.000 0.856 579 G HN 0.701 nan 8.290 nan 0.000 0.538 580 P HA -0.037 nan 4.420 nan 0.000 0.228 580 P C 0.566 177.576 177.300 -0.484 0.000 1.151 580 P CA 1.380 64.248 63.100 -0.388 0.000 0.770 580 P CB -0.006 31.389 31.700 -0.509 0.000 0.786 581 H N -0.910 118.118 119.070 -0.069 0.000 2.486 581 H HA 0.216 4.773 4.556 0.001 0.000 0.284 581 H C 0.700 175.994 175.328 -0.058 0.000 1.103 581 H CA -0.579 55.421 56.048 -0.081 0.000 1.089 581 H CB 0.215 29.904 29.762 -0.122 0.000 1.603 581 H HN 0.224 nan 8.280 nan 0.000 0.557 582 K N 0.737 121.145 120.400 0.013 0.000 2.484 582 K HA 0.098 4.419 4.320 0.001 0.000 0.280 582 K C 1.022 177.637 176.600 0.025 0.000 1.013 582 K CA 1.225 57.524 56.287 0.019 0.000 1.029 582 K CB 0.213 32.713 32.500 0.001 0.000 0.902 582 K HN 0.485 nan 8.250 nan 0.000 0.481 583 G N 3.238 112.062 108.800 0.040 0.000 2.232 583 G HA2 -0.293 3.667 3.960 0.001 0.000 0.226 583 G HA3 -0.293 3.667 3.960 0.001 0.000 0.226 583 G C 0.106 175.010 174.900 0.006 0.000 0.996 583 G CA 0.209 45.334 45.100 0.041 0.000 0.626 583 G HN 0.722 nan 8.290 nan 0.000 0.509 584 R N 0.927 121.435 120.500 0.014 0.000 2.537 584 R HA 0.502 4.842 4.340 0.001 0.000 0.280 584 R C 0.133 176.466 176.300 0.054 0.000 1.058 584 R CA -0.256 55.851 56.100 0.012 0.000 1.057 584 R CB 0.057 30.363 30.300 0.010 0.000 0.973 584 R HN 0.294 nan 8.270 nan 0.000 0.438 585 I N 6.070 126.670 120.570 0.049 0.000 2.331 585 I HA 0.201 4.372 4.170 0.001 0.000 0.292 585 I C -0.198 176.059 176.117 0.233 0.000 0.998 585 I CA -0.502 60.875 61.300 0.128 0.000 1.267 585 I CB 1.241 39.284 38.000 0.072 0.000 1.386 585 I HN 0.438 nan 8.210 nan 0.000 0.476 586 L N 7.018 128.389 121.223 0.246 0.000 2.322 586 L HA 0.557 4.898 4.340 0.001 0.000 0.281 586 L C -0.703 176.333 176.870 0.277 0.000 1.014 586 L CA -0.743 54.263 54.840 0.277 0.000 0.815 586 L CB 1.899 44.095 42.059 0.228 0.000 1.247 586 L HN 0.409 nan 8.230 nan 0.000 0.421 587 I N 4.145 124.881 120.570 0.277 0.000 2.439 587 I HA 0.376 4.547 4.170 0.001 0.000 0.285 587 I C -2.398 173.830 176.117 0.186 0.000 1.021 587 I CA -2.448 58.971 61.300 0.199 0.000 1.091 587 I CB 1.765 39.823 38.000 0.097 0.000 1.242 587 I HN 0.192 nan 8.210 nan 0.000 0.439 588 P HA 0.260 nan 4.420 nan 0.000 0.271 588 P C -0.502 176.899 177.300 0.169 0.000 1.216 588 P CA 0.025 63.233 63.100 0.180 0.000 0.771 588 P CB 1.005 32.807 31.700 0.170 0.000 0.864 589 V N 1.352 121.374 119.914 0.180 0.000 3.206 589 V HA 0.844 4.965 4.120 0.001 0.000 0.305 589 V C -1.570 174.698 176.094 0.291 0.000 1.257 589 V CA -1.178 61.229 62.300 0.180 0.000 1.057 589 V CB 1.919 33.761 31.823 0.031 0.000 1.075 589 V HN 0.619 nan 8.190 nan 0.000 0.443 590 Y N -0.840 119.489 120.300 0.047 0.000 2.597 590 Y HA 0.939 5.489 4.550 0.001 0.000 0.340 590 Y C -0.426 175.529 175.900 0.092 0.000 1.097 590 Y CA -0.170 57.992 58.100 0.103 0.000 1.037 590 Y CB 1.675 40.234 38.460 0.164 0.000 1.305 590 Y HN 1.124 nan 8.280 nan 0.000 0.463 591 T N -1.001 113.685 114.554 0.220 0.000 2.887 591 T HA 0.845 5.196 4.350 0.001 0.000 0.292 591 T C -0.580 174.329 174.700 0.348 0.000 1.087 591 T CA -0.309 61.878 62.100 0.145 0.000 1.009 591 T CB 1.637 70.558 68.868 0.087 0.000 1.203 591 T HN 1.226 nan 8.240 nan 0.000 0.518 592 T N -0.587 114.188 114.554 0.368 0.000 2.906 592 T HA 0.733 5.084 4.350 0.001 0.000 0.295 592 T C -0.681 174.291 174.700 0.453 0.000 1.075 592 T CA -0.969 61.370 62.100 0.399 0.000 1.005 592 T CB 1.506 70.625 68.868 0.418 0.000 1.136 592 T HN 0.994 nan 8.240 nan 0.000 0.498 593 N N 0.349 119.303 118.700 0.422 0.000 2.592 593 N HA 0.407 5.147 4.740 0.001 0.000 0.292 593 N C 0.240 175.919 175.510 0.280 0.000 1.260 593 N CA -1.150 52.156 53.050 0.427 0.000 0.910 593 N CB 0.335 39.010 38.487 0.313 0.000 1.257 593 N HN 0.498 nan 8.380 nan 0.000 0.569 594 N N -0.913 117.919 118.700 0.220 0.000 2.467 594 N HA 0.027 4.767 4.740 0.001 0.000 0.184 594 N C 0.882 176.453 175.510 0.101 0.000 1.106 594 N CA 0.244 53.371 53.050 0.128 0.000 0.892 594 N CB 0.114 38.664 38.487 0.104 0.000 0.969 594 N HN 0.313 nan 8.380 nan 0.000 0.454 595 V N 0.462 120.440 119.914 0.107 0.000 2.346 595 V HA -0.067 4.053 4.120 0.001 0.000 0.244 595 V C 1.865 178.011 176.094 0.087 0.000 1.037 595 V CA 1.921 64.266 62.300 0.075 0.000 1.029 595 V CB -0.088 31.765 31.823 0.050 0.000 0.663 595 V HN 0.395 nan 8.190 nan 0.000 0.454 596 S N -3.129 112.642 115.700 0.119 0.000 2.817 596 S HA 0.181 4.651 4.470 0.001 0.000 0.262 596 S C 0.758 175.470 174.600 0.187 0.000 1.051 596 S CA 0.431 58.705 58.200 0.123 0.000 1.185 596 S CB 0.145 63.396 63.200 0.085 0.000 1.152 596 S HN 0.624 nan 8.310 nan 0.000 0.653 597 H N 2.493 121.617 119.070 0.090 0.000 1.452 597 H HA -0.287 4.269 4.556 0.001 0.000 0.090 597 H C 0.728 176.110 175.328 0.089 0.000 0.977 597 H CA 2.270 58.374 56.048 0.093 0.000 1.901 597 H CB -1.325 28.474 29.762 0.062 0.000 2.257 597 H HN 0.327 nan 8.280 nan 0.000 0.961 598 L N 0.634 121.628 121.223 -0.381 0.000 2.552 598 L HA 0.011 4.351 4.340 0.001 0.000 0.227 598 L C 2.025 178.867 176.870 -0.048 0.000 1.146 598 L CA 0.746 55.412 54.840 -0.290 0.000 0.858 598 L CB -0.359 41.456 42.059 -0.407 0.000 0.969 598 L HN 0.417 nan 8.230 nan 0.000 0.451 599 N N 0.274 118.982 118.700 0.013 0.000 2.376 599 N HA -0.003 4.737 4.740 0.001 0.000 0.177 599 N C 1.356 176.882 175.510 0.027 0.000 1.024 599 N CA 1.281 54.349 53.050 0.031 0.000 0.893 599 N CB 0.521 39.036 38.487 0.047 0.000 0.980 599 N HN 0.328 nan 8.380 nan 0.000 0.439 600 G N -0.377 108.449 108.800 0.044 0.000 5.364 600 G HA2 0.065 4.026 3.960 0.001 0.000 0.220 600 G HA3 0.065 4.026 3.960 0.001 0.000 0.220 600 G C 0.283 175.220 174.900 0.062 0.000 0.838 600 G CA 0.179 45.304 45.100 0.041 0.000 0.727 600 G HN 0.257 nan 8.290 nan 0.000 0.303 601 S N -0.967 114.788 115.700 0.092 0.000 2.787 601 S HA 0.219 4.690 4.470 0.001 0.000 0.255 601 S C 0.424 175.128 174.600 0.173 0.000 1.051 601 S CA -0.219 58.057 58.200 0.127 0.000 1.124 601 S CB 0.056 63.355 63.200 0.165 0.000 1.104 601 S HN 0.261 nan 8.310 nan 0.000 0.623 602 Q N 2.007 121.910 119.800 0.173 0.000 2.247 602 Q HA 0.326 4.667 4.340 0.001 0.000 0.288 602 Q C -0.822 175.308 176.000 0.216 0.000 1.079 602 Q CA 0.404 56.364 55.803 0.262 0.000 0.932 602 Q CB 0.431 29.323 28.738 0.256 0.000 1.133 602 Q HN 0.320 nan 8.270 nan 0.000 0.377 603 S N 1.688 117.550 115.700 0.270 0.000 2.614 603 S HA 0.323 4.793 4.470 0.001 0.000 0.288 603 S C -0.693 174.021 174.600 0.191 0.000 1.137 603 S CA -0.776 57.530 58.200 0.178 0.000 0.992 603 S CB 1.831 65.126 63.200 0.159 0.000 1.026 603 S HN 0.479 nan 8.310 nan 0.000 0.486 604 S N 3.030 118.774 115.700 0.073 0.000 2.592 604 S HA 0.731 5.201 4.470 0.001 0.000 0.271 604 S C 0.381 174.978 174.600 -0.006 0.000 1.326 604 S CA -0.786 57.435 58.200 0.035 0.000 1.024 604 S CB 0.576 63.716 63.200 -0.100 0.000 0.921 604 S HN 0.863 nan 8.310 nan 0.000 0.527 605 R N -0.526 120.008 120.500 0.057 0.000 2.855 605 R HA 0.591 4.932 4.340 0.001 0.000 0.274 605 R C -2.052 174.388 176.300 0.233 0.000 0.997 605 R CA -0.859 55.338 56.100 0.162 0.000 0.856 605 R CB 0.151 30.591 30.300 0.233 0.000 1.378 605 R HN 0.532 nan 8.270 nan 0.000 0.462 606 I N -0.914 119.866 120.570 0.351 0.000 3.042 606 I HA 0.704 4.875 4.170 0.001 0.000 0.310 606 I C -0.360 175.942 176.117 0.309 0.000 1.117 606 I CA -1.295 60.196 61.300 0.319 0.000 1.003 606 I CB 1.939 40.170 38.000 0.385 0.000 1.228 606 I HN 0.738 nan 8.210 nan 0.000 0.443 607 I N 1.097 121.830 120.570 0.272 0.000 2.797 607 I HA 0.864 5.035 4.170 0.001 0.000 0.307 607 I C -1.305 175.054 176.117 0.404 0.000 1.033 607 I CA -0.861 60.590 61.300 0.252 0.000 1.071 607 I CB 2.135 40.199 38.000 0.106 0.000 1.255 607 I HN 0.878 nan 8.210 nan 0.000 0.445 608 Y N 1.476 121.947 120.300 0.285 0.000 2.655 608 Y HA 0.796 5.347 4.550 0.001 0.000 0.336 608 Y C -1.041 174.871 175.900 0.019 0.000 1.154 608 Y CA -1.199 57.028 58.100 0.211 0.000 1.055 608 Y CB 1.433 39.944 38.460 0.086 0.000 1.295 608 Y HN 0.681 nan 8.280 nan 0.000 0.465 609 S N 0.437 116.049 115.700 -0.146 0.000 2.614 609 S HA 0.375 4.846 4.470 0.001 0.000 0.288 609 S C -1.125 173.321 174.600 -0.256 0.000 1.137 609 S CA -0.623 57.230 58.200 -0.579 0.000 0.992 609 S CB 0.996 63.268 63.200 -1.546 0.000 1.026 609 S HN 0.762 nan 8.310 nan 0.000 0.486 610 D N 2.406 122.712 120.400 -0.156 0.000 2.369 610 D HA 0.127 4.768 4.640 0.001 0.000 0.211 610 D C -0.053 176.068 176.300 -0.299 0.000 1.077 610 D CA 0.294 54.212 54.000 -0.137 0.000 0.842 610 D CB 0.459 41.260 40.800 0.001 0.000 0.947 610 D HN 0.743 nan 8.370 nan 0.000 0.509 611 D N -0.763 119.419 120.400 -0.364 0.000 2.891 611 D HA 0.001 4.642 4.640 0.001 0.000 0.312 611 D C -0.055 176.063 176.300 -0.302 0.000 1.354 611 D CA -0.657 53.138 54.000 -0.341 0.000 0.838 611 D CB -0.598 40.093 40.800 -0.183 0.000 1.117 611 D HN -0.027 nan 8.370 nan 0.000 0.473 612 H N -0.017 118.945 119.070 -0.180 0.000 2.791 612 H HA -0.140 4.417 4.556 0.001 0.000 0.302 612 H C 1.450 176.673 175.328 -0.175 0.000 1.198 612 H CA 1.091 57.070 56.048 -0.114 0.000 1.145 612 H CB -1.643 28.114 29.762 -0.008 0.000 1.385 612 H HN 0.701 nan 8.280 nan 0.000 0.409 613 G N -0.810 107.670 108.800 -0.534 0.000 2.195 613 G HA2 -0.366 3.595 3.960 0.001 0.000 0.246 613 G HA3 -0.366 3.595 3.960 0.001 0.000 0.246 613 G C 1.308 175.988 174.900 -0.366 0.000 0.984 613 G CA 0.655 45.318 45.100 -0.727 0.000 0.633 613 G HN 0.489 nan 8.290 nan 0.000 0.525 614 K N 0.294 120.521 120.400 -0.288 0.000 2.002 614 K HA 0.037 4.358 4.320 0.001 0.000 0.209 614 K C 1.535 177.998 176.600 -0.228 0.000 1.048 614 K CA 1.764 57.959 56.287 -0.155 0.000 0.930 614 K CB -0.202 32.230 32.500 -0.113 0.000 0.714 614 K HN 0.685 nan 8.250 nan 0.000 0.438 615 T N -2.289 111.993 114.554 -0.453 0.000 2.908 615 T HA 0.485 4.836 4.350 0.001 0.000 0.290 615 T C -1.117 173.033 174.700 -0.916 0.000 1.034 615 T CA -0.982 60.833 62.100 -0.474 0.000 1.010 615 T CB 1.258 69.923 68.868 -0.339 0.000 1.068 615 T HN 0.120 nan 8.240 nan 0.000 0.481 616 W N 0.248 121.201 121.300 -0.579 0.000 2.781 616 W HA 0.666 5.327 4.660 0.001 0.000 0.345 616 W C -0.028 175.909 176.519 -0.970 0.000 1.085 616 W CA -0.628 56.341 57.345 -0.627 0.000 1.198 616 W CB 1.470 30.708 29.460 -0.372 0.000 1.423 616 W HN 0.702 nan 8.180 nan 0.000 0.532 617 H N 0.493 119.364 119.070 -0.331 0.000 2.930 617 H HA 0.622 5.178 4.556 0.001 0.000 0.371 617 H C -0.789 174.323 175.328 -0.360 0.000 1.169 617 H CA -1.084 54.693 56.048 -0.452 0.000 1.157 617 H CB 1.709 31.009 29.762 -0.770 0.000 1.789 617 H HN 0.536 nan 8.280 nan 0.000 0.547 618 A N 1.697 124.520 122.820 0.005 0.000 2.331 618 A HA 0.584 4.905 4.320 0.001 0.000 0.283 618 A C 0.841 178.575 177.584 0.250 0.000 1.142 618 A CA 0.164 52.265 52.037 0.105 0.000 0.812 618 A CB 0.402 19.443 19.000 0.068 0.000 1.074 618 A HN 0.745 nan 8.150 nan 0.000 0.497 619 G N 0.909 109.914 108.800 0.342 0.000 2.543 619 G HA2 0.501 4.461 3.960 0.001 0.000 0.290 619 G HA3 0.501 4.461 3.960 0.001 0.000 0.290 619 G C -0.195 174.868 174.900 0.271 0.000 1.310 619 G CA -0.543 44.758 45.100 0.336 0.000 1.025 619 G HN 0.790 nan 8.290 nan 0.000 0.502 620 E N -0.874 119.473 120.200 0.244 0.000 2.280 620 E HA 0.490 4.840 4.350 0.001 0.000 0.264 620 E C 0.274 177.087 176.600 0.356 0.000 1.064 620 E CA -0.568 55.982 56.400 0.250 0.000 0.900 620 E CB 1.475 31.282 29.700 0.177 0.000 1.123 620 E HN 0.554 nan 8.360 nan 0.000 0.418 621 A N 1.285 124.251 122.820 0.244 0.000 2.351 621 A HA 0.132 4.453 4.320 0.001 0.000 0.257 621 A C 1.161 178.855 177.584 0.184 0.000 1.087 621 A CA -0.511 51.637 52.037 0.184 0.000 0.798 621 A CB 0.613 19.668 19.000 0.092 0.000 1.033 621 A HN 0.508 nan 8.150 nan 0.000 0.488 622 V N 2.273 122.165 119.914 -0.036 0.000 2.392 622 V HA -0.272 3.849 4.120 0.001 0.000 0.249 622 V C 1.979 178.076 176.094 0.004 0.000 1.059 622 V CA 2.569 64.796 62.300 -0.122 0.000 1.051 622 V CB -1.089 30.494 31.823 -0.400 0.000 0.658 622 V HN 0.943 nan 8.190 nan 0.000 0.455 623 N N -0.458 118.227 118.700 -0.026 0.000 2.550 623 N HA -0.063 4.678 4.740 0.001 0.000 0.186 623 N C -0.097 175.377 175.510 -0.061 0.000 1.110 623 N CA 0.013 53.045 53.050 -0.031 0.000 0.912 623 N CB 0.021 38.490 38.487 -0.030 0.000 0.968 623 N HN 0.457 nan 8.380 nan 0.000 0.448 624 D N 1.232 121.583 120.400 -0.082 0.000 2.358 624 D HA 0.007 4.648 4.640 0.001 0.000 0.258 624 D C 0.458 176.760 176.300 0.004 0.000 1.223 624 D CA 0.477 54.384 54.000 -0.156 0.000 0.886 624 D CB 0.501 41.195 40.800 -0.176 0.000 1.120 624 D HN 0.070 nan 8.370 nan 0.000 0.482 625 N N 1.378 120.102 118.700 0.039 0.000 2.782 625 N HA -0.236 4.504 4.740 0.001 0.000 0.251 625 N C -0.411 175.123 175.510 0.040 0.000 1.101 625 N CA 0.416 53.502 53.050 0.059 0.000 0.764 625 N CB -0.647 37.881 38.487 0.069 0.000 1.122 625 N HN 0.491 nan 8.380 nan 0.000 0.561 626 R N 0.743 121.259 120.500 0.027 0.000 2.441 626 R HA 0.152 4.492 4.340 0.001 0.000 0.284 626 R C -0.146 176.164 176.300 0.016 0.000 1.070 626 R CA -0.314 55.800 56.100 0.022 0.000 1.047 626 R CB 0.587 30.894 30.300 0.011 0.000 1.016 626 R HN 0.213 nan 8.270 nan 0.000 0.477 627 Q N 4.223 124.032 119.800 0.014 0.000 2.314 627 Q HA 0.195 4.536 4.340 0.001 0.000 0.257 627 Q C -1.583 174.418 176.000 0.003 0.000 0.975 627 Q CA -0.186 55.622 55.803 0.009 0.000 0.933 627 Q CB 1.226 29.969 28.738 0.008 0.000 1.195 627 Q HN 0.418 nan 8.270 nan 0.000 0.426 628 V N 4.729 124.644 119.914 0.002 0.000 2.588 628 V HA 0.152 4.272 4.120 0.001 0.000 0.304 628 V C -0.248 175.844 176.094 -0.003 0.000 1.042 628 V CA -0.696 61.602 62.300 -0.003 0.000 0.877 628 V CB 1.889 33.711 31.823 -0.003 0.000 0.996 628 V HN 0.902 nan 8.190 nan 0.000 0.425 629 D N 4.242 124.639 120.400 -0.006 0.000 2.713 629 D HA -0.235 4.406 4.640 0.001 0.000 0.231 629 D C 1.206 177.503 176.300 -0.004 0.000 1.173 629 D CA 1.728 55.724 54.000 -0.006 0.000 0.628 629 D CB -0.796 40.000 40.800 -0.007 0.000 1.033 629 D HN 1.340 nan 8.370 nan 0.000 0.419 630 G N -0.400 108.398 108.800 -0.003 0.000 2.604 630 G HA2 -0.274 3.687 3.960 0.001 0.000 0.205 630 G HA3 -0.274 3.687 3.960 0.001 0.000 0.205 630 G C 0.275 175.176 174.900 0.001 0.000 1.186 630 G CA 0.489 45.588 45.100 -0.001 0.000 0.753 630 G HN 0.653 nan 8.290 nan 0.000 0.526 631 Q N 0.724 120.525 119.800 0.002 0.000 2.286 631 Q HA 0.839 5.180 4.340 0.001 0.000 0.250 631 Q C -0.461 175.543 176.000 0.007 0.000 1.021 631 Q CA -1.028 54.778 55.803 0.004 0.000 0.930 631 Q CB 1.144 29.884 28.738 0.003 0.000 1.266 631 Q HN 0.126 nan 8.270 nan 0.000 0.491 632 K N 0.992 121.398 120.400 0.011 0.000 2.143 632 K HA 0.474 4.794 4.320 0.001 0.000 0.272 632 K C -0.146 176.468 176.600 0.022 0.000 1.001 632 K CA -0.344 55.954 56.287 0.018 0.000 0.915 632 K CB 0.958 33.472 32.500 0.024 0.000 1.047 632 K HN 0.807 nan 8.250 nan 0.000 0.458 633 I N -1.933 118.653 120.570 0.026 0.000 3.237 633 I HA 0.507 4.678 4.170 0.001 0.000 0.308 633 I C -0.213 175.944 176.117 0.066 0.000 1.093 633 I CA -0.816 60.503 61.300 0.032 0.000 1.001 633 I CB 2.220 40.229 38.000 0.014 0.000 1.245 633 I HN 0.437 nan 8.210 nan 0.000 0.485 634 H N 0.752 119.785 119.070 -0.061 0.000 2.894 634 H HA 0.242 4.799 4.556 0.001 0.000 0.367 634 H C 0.171 175.419 175.328 -0.132 0.000 1.144 634 H CA 0.106 56.099 56.048 -0.092 0.000 1.180 634 H CB 2.549 32.225 29.762 -0.143 0.000 1.758 634 H HN 0.856 nan 8.280 nan 0.000 0.541 635 S N 1.956 117.438 115.700 -0.363 0.000 2.419 635 S HA -0.204 4.267 4.470 0.001 0.000 0.235 635 S C 1.793 176.234 174.600 -0.264 0.000 1.019 635 S CA 1.503 59.608 58.200 -0.158 0.000 0.982 635 S CB -0.312 62.880 63.200 -0.014 0.000 0.789 635 S HN 0.563 nan 8.310 nan 0.000 0.490 636 S N 1.180 116.571 115.700 -0.515 0.000 2.496 636 S HA 0.021 4.492 4.470 0.001 0.000 0.224 636 S C 1.536 175.913 174.600 -0.371 0.000 0.996 636 S CA 0.774 58.323 58.200 -1.085 0.000 0.927 636 S CB -0.571 61.556 63.200 -1.789 0.000 0.774 636 S HN 0.796 nan 8.310 nan 0.000 0.524 637 T N -0.668 113.786 114.554 -0.167 0.000 3.087 637 T HA 0.391 4.742 4.350 0.001 0.000 0.283 637 T C 0.554 175.240 174.700 -0.022 0.000 0.956 637 T CA -0.403 61.648 62.100 -0.083 0.000 0.894 637 T CB -0.423 68.387 68.868 -0.096 0.000 1.160 637 T HN 0.551 nan 8.240 nan 0.000 0.532 638 M N 1.472 121.067 119.600 -0.007 0.000 2.245 638 M HA 0.501 4.982 4.480 0.001 0.000 0.330 638 M C -0.316 176.001 176.300 0.028 0.000 1.098 638 M CA 0.133 55.441 55.300 0.013 0.000 1.172 638 M CB 0.221 32.830 32.600 0.015 0.000 1.467 638 M HN 0.022 nan 8.290 nan 0.000 0.454 639 N N 2.374 121.088 118.700 0.024 0.000 2.751 639 N HA 0.287 5.027 4.740 0.001 0.000 0.234 639 N C -2.267 173.254 175.510 0.018 0.000 1.403 639 N CA -0.302 52.766 53.050 0.029 0.000 0.747 639 N CB 0.628 39.132 38.487 0.027 0.000 1.326 639 N HN 0.865 nan 8.380 nan 0.000 0.532 640 N N 1.671 120.381 118.700 0.016 0.000 2.571 640 N HA 0.194 4.934 4.740 0.001 0.000 0.286 640 N C 0.610 176.119 175.510 -0.002 0.000 1.138 640 N CA -0.206 52.846 53.050 0.004 0.000 0.859 640 N CB 1.653 40.141 38.487 0.001 0.000 1.414 640 N HN 0.436 nan 8.380 nan 0.000 0.529 641 R N 2.684 123.177 120.500 -0.012 0.000 2.094 641 R HA -0.066 4.274 4.340 0.001 0.000 0.239 641 R C 1.762 178.034 176.300 -0.048 0.000 1.137 641 R CA 1.577 57.659 56.100 -0.031 0.000 0.943 641 R CB 0.054 30.328 30.300 -0.043 0.000 0.850 641 R HN 0.520 nan 8.270 nan 0.000 0.433 642 R N -0.433 120.040 120.500 -0.045 0.000 2.189 642 R HA -0.027 4.314 4.340 0.001 0.000 0.223 642 R C 1.530 177.808 176.300 -0.036 0.000 1.092 642 R CA 1.120 57.189 56.100 -0.050 0.000 0.989 642 R CB -0.020 30.254 30.300 -0.043 0.000 0.876 642 R HN 0.336 nan 8.270 nan 0.000 0.457 643 A N 0.164 122.971 122.820 -0.022 0.000 2.251 643 A HA 0.067 4.388 4.320 0.001 0.000 0.209 643 A C 0.281 177.861 177.584 -0.007 0.000 1.187 643 A CA -0.097 51.931 52.037 -0.015 0.000 0.823 643 A CB 0.072 19.067 19.000 -0.009 0.000 0.846 643 A HN 0.342 nan 8.150 nan 0.000 0.486 644 Q N 0.641 120.440 119.800 -0.001 0.000 2.394 644 Q HA 0.337 4.677 4.340 0.001 0.000 0.248 644 Q C -1.040 174.970 176.000 0.016 0.000 0.992 644 Q CA 0.052 55.868 55.803 0.023 0.000 0.888 644 Q CB 0.408 29.168 28.738 0.037 0.000 1.257 644 Q HN 0.711 nan 8.270 nan 0.000 0.462 645 N N -0.751 117.962 118.700 0.022 0.000 2.336 645 N HA 0.313 5.054 4.740 0.001 0.000 0.290 645 N C -0.661 174.834 175.510 -0.025 0.000 1.058 645 N CA -0.679 52.364 53.050 -0.010 0.000 0.865 645 N CB 1.797 40.251 38.487 -0.054 0.000 1.581 645 N HN 0.606 nan 8.380 nan 0.000 0.480 646 T N -1.071 113.410 114.554 -0.121 0.000 1.944 646 T HA 0.346 4.696 4.350 0.001 0.000 0.177 646 T C -0.011 174.321 174.700 -0.613 0.000 0.694 646 T CA -0.289 61.548 62.100 -0.439 0.000 1.337 646 T CB -0.635 67.934 68.868 -0.499 0.000 3.196 646 T HN 0.426 nan 8.240 nan 0.000 0.405 647 E N 1.800 121.549 120.200 -0.751 0.000 2.415 647 E HA 0.444 4.794 4.350 0.001 0.000 0.262 647 E C -0.231 176.270 176.600 -0.165 0.000 1.038 647 E CA -0.144 56.028 56.400 -0.381 0.000 0.921 647 E CB 0.548 30.078 29.700 -0.283 0.000 0.950 647 E HN 0.725 nan 8.360 nan 0.000 0.438 648 S N 1.029 116.708 115.700 -0.036 0.000 2.638 648 S HA 0.565 5.036 4.470 0.001 0.000 0.274 648 S C -0.765 173.893 174.600 0.096 0.000 1.157 648 S CA -0.988 57.226 58.200 0.024 0.000 0.826 648 S CB 2.177 65.379 63.200 0.004 0.000 1.139 648 S HN 0.394 nan 8.310 nan 0.000 0.474 649 T N 0.277 114.932 114.554 0.168 0.000 2.861 649 T HA 0.662 5.013 4.350 0.001 0.000 0.287 649 T C -1.446 173.445 174.700 0.320 0.000 1.003 649 T CA -0.519 61.709 62.100 0.214 0.000 0.977 649 T CB 1.410 70.381 68.868 0.171 0.000 0.996 649 T HN 1.032 nan 8.240 nan 0.000 0.448 650 V N 5.740 125.829 119.914 0.292 0.000 2.555 650 V HA 0.881 5.001 4.120 0.001 0.000 0.302 650 V C -1.097 175.195 176.094 0.330 0.000 1.038 650 V CA -0.237 62.258 62.300 0.324 0.000 0.887 650 V CB 1.688 33.681 31.823 0.284 0.000 0.991 650 V HN 0.824 nan 8.190 nan 0.000 0.434 651 V N 6.062 126.196 119.914 0.368 0.000 2.841 651 V HA 0.498 4.618 4.120 0.001 0.000 0.310 651 V C -0.599 175.652 176.094 0.260 0.000 1.090 651 V CA -0.637 61.864 62.300 0.336 0.000 0.930 651 V CB 1.879 33.969 31.823 0.446 0.000 1.014 651 V HN 0.940 nan 8.190 nan 0.000 0.425 652 Q N 3.268 123.172 119.800 0.173 0.000 2.282 652 Q HA 0.688 5.029 4.340 0.001 0.000 0.260 652 Q C -1.389 174.638 176.000 0.045 0.000 0.964 652 Q CA -0.596 55.264 55.803 0.096 0.000 0.880 652 Q CB 1.747 30.509 28.738 0.040 0.000 1.286 652 Q HN 0.704 nan 8.270 nan 0.000 0.445 653 L N 2.692 123.964 121.223 0.081 0.000 2.454 653 L HA 0.258 4.598 4.340 0.001 0.000 0.256 653 L C 1.068 177.950 176.870 0.020 0.000 1.136 653 L CA -0.851 54.053 54.840 0.107 0.000 0.804 653 L CB 0.441 42.574 42.059 0.124 0.000 1.181 653 L HN 0.739 nan 8.230 nan 0.000 0.469 654 N N 1.018 119.758 118.700 0.067 0.000 2.381 654 N HA -0.154 4.587 4.740 0.001 0.000 0.182 654 N C 1.146 176.670 175.510 0.022 0.000 1.025 654 N CA 1.098 54.169 53.050 0.035 0.000 0.888 654 N CB -0.359 38.181 38.487 0.088 0.000 0.965 654 N HN 0.640 nan 8.380 nan 0.000 0.438 655 N N -0.759 117.960 118.700 0.031 0.000 2.461 655 N HA 0.022 4.763 4.740 0.001 0.000 0.188 655 N C 1.053 176.569 175.510 0.010 0.000 1.134 655 N CA 0.632 53.693 53.050 0.018 0.000 0.878 655 N CB 0.339 38.839 38.487 0.021 0.000 0.972 655 N HN 0.107 nan 8.380 nan 0.000 0.456 656 G N 0.507 109.313 108.800 0.010 0.000 2.258 656 G HA2 -0.245 3.716 3.960 0.001 0.000 0.233 656 G HA3 -0.245 3.716 3.960 0.001 0.000 0.233 656 G C -0.381 174.528 174.900 0.015 0.000 1.006 656 G CA 0.100 45.204 45.100 0.007 0.000 0.620 656 G HN 0.432 nan 8.290 nan 0.000 0.511 657 D N 0.481 120.894 120.400 0.023 0.000 2.382 657 D HA 0.474 5.115 4.640 0.001 0.000 0.240 657 D C 0.480 176.813 176.300 0.055 0.000 1.146 657 D CA 0.191 54.207 54.000 0.027 0.000 0.897 657 D CB 1.718 42.541 40.800 0.039 0.000 1.197 657 D HN 0.244 nan 8.370 nan 0.000 0.432 658 V N 2.840 122.788 119.914 0.056 0.000 2.459 658 V HA 0.285 4.405 4.120 0.001 0.000 0.295 658 V C 0.212 176.440 176.094 0.223 0.000 1.029 658 V CA -0.727 61.650 62.300 0.129 0.000 0.874 658 V CB 1.735 33.612 31.823 0.090 0.000 0.985 658 V HN 0.290 nan 8.190 nan 0.000 0.438 659 K N 3.972 124.505 120.400 0.221 0.000 2.221 659 K HA 0.623 4.943 4.320 0.001 0.000 0.258 659 K C -1.293 175.345 176.600 0.062 0.000 0.944 659 K CA -0.772 55.570 56.287 0.092 0.000 0.823 659 K CB 2.564 35.037 32.500 -0.046 0.000 1.113 659 K HN 0.448 nan 8.250 nan 0.000 0.431 660 L N 3.900 125.057 121.223 -0.109 0.000 2.342 660 L HA 0.433 4.773 4.340 0.001 0.000 0.276 660 L C -1.410 175.320 176.870 -0.234 0.000 0.997 660 L CA -0.414 54.355 54.840 -0.118 0.000 0.838 660 L CB 0.419 42.248 42.059 -0.382 0.000 1.224 660 L HN 0.363 nan 8.230 nan 0.000 0.416 661 F N 5.666 125.650 119.950 0.057 0.000 2.404 661 F HA 0.511 5.039 4.527 0.001 0.000 0.358 661 F C 0.287 176.088 175.800 0.002 0.000 1.120 661 F CA -0.282 57.757 58.000 0.065 0.000 1.144 661 F CB 0.722 39.788 39.000 0.111 0.000 1.133 661 F HN 0.298 nan 8.300 nan 0.000 0.495 662 M N 3.561 123.214 119.600 0.089 0.000 2.364 662 M HA 0.423 4.904 4.480 0.001 0.000 0.334 662 M C 0.050 176.358 176.300 0.013 0.000 1.107 662 M CA -0.746 54.559 55.300 0.008 0.000 0.988 662 M CB 2.047 34.606 32.600 -0.067 0.000 1.673 662 M HN 0.491 nan 8.290 nan 0.000 0.441 663 R N 1.477 121.958 120.500 -0.032 0.000 2.489 663 R HA 0.545 4.886 4.340 0.001 0.000 0.287 663 R C -0.315 176.025 176.300 0.068 0.000 1.053 663 R CA 0.291 56.379 56.100 -0.020 0.000 1.036 663 R CB 0.375 30.584 30.300 -0.151 0.000 0.966 663 R HN 0.941 nan 8.270 nan 0.000 0.432 664 G N 2.338 111.232 108.800 0.157 0.000 2.749 664 G HA2 0.369 4.329 3.960 0.001 0.000 0.300 664 G HA3 0.369 4.329 3.960 0.001 0.000 0.300 664 G C -0.658 174.304 174.900 0.103 0.000 1.352 664 G CA -0.802 44.381 45.100 0.139 0.000 0.789 664 G HN 0.534 nan 8.290 nan 0.000 0.509 665 L N 1.026 122.214 121.223 -0.058 0.000 3.110 665 L HA 0.222 4.562 4.340 0.001 0.000 0.266 665 L C 1.963 178.782 176.870 -0.085 0.000 1.257 665 L CA 0.397 55.144 54.840 -0.156 0.000 1.038 665 L CB 0.738 42.629 42.059 -0.280 0.000 1.395 665 L HN 0.694 nan 8.230 nan 0.000 0.566 666 T N -4.769 109.760 114.554 -0.043 0.000 3.060 666 T HA 0.222 4.572 4.350 0.001 0.000 0.249 666 T C 1.582 176.262 174.700 -0.032 0.000 1.079 666 T CA 0.617 62.694 62.100 -0.038 0.000 1.013 666 T CB 0.703 69.552 68.868 -0.032 0.000 0.975 666 T HN 0.399 nan 8.240 nan 0.000 0.518 667 G N 2.043 110.830 108.800 -0.022 0.000 2.225 667 G HA2 -0.199 3.761 3.960 0.001 0.000 0.254 667 G HA3 -0.199 3.761 3.960 0.001 0.000 0.254 667 G C -0.264 174.618 174.900 -0.030 0.000 0.988 667 G CA 0.289 45.377 45.100 -0.020 0.000 0.625 667 G HN 0.942 nan 8.290 nan 0.000 0.527 668 D N -0.975 119.407 120.400 -0.031 0.000 2.636 668 D HA 0.627 5.268 4.640 0.001 0.000 0.275 668 D C -0.221 176.067 176.300 -0.020 0.000 1.130 668 D CA -1.224 52.748 54.000 -0.047 0.000 1.031 668 D CB 0.472 41.241 40.800 -0.052 0.000 1.451 668 D HN 0.478 nan 8.370 nan 0.000 0.505 669 L N 0.341 121.553 121.223 -0.019 0.000 2.477 669 L HA 0.202 4.542 4.340 0.001 0.000 0.272 669 L C -0.403 176.547 176.870 0.134 0.000 1.157 669 L CA 0.764 55.644 54.840 0.067 0.000 0.889 669 L CB -0.149 41.947 42.059 0.062 0.000 1.158 669 L HN 0.272 nan 8.230 nan 0.000 0.473 670 Q N 4.396 124.259 119.800 0.106 0.000 2.293 670 Q HA 0.622 4.963 4.340 0.001 0.000 0.261 670 Q C -1.302 174.732 176.000 0.057 0.000 0.960 670 Q CA -0.790 55.044 55.803 0.053 0.000 0.882 670 Q CB 2.460 31.201 28.738 0.004 0.000 1.275 670 Q HN 0.503 nan 8.270 nan 0.000 0.445 671 V N 1.194 121.115 119.914 0.012 0.000 2.577 671 V HA 0.730 4.851 4.120 0.001 0.000 0.303 671 V C -0.604 175.426 176.094 -0.107 0.000 1.042 671 V CA -0.803 61.434 62.300 -0.104 0.000 0.872 671 V CB 1.606 33.398 31.823 -0.051 0.000 0.998 671 V HN 0.868 nan 8.190 nan 0.000 0.423 672 A N 3.154 125.878 122.820 -0.160 0.000 2.311 672 A HA 0.957 5.278 4.320 0.001 0.000 0.334 672 A C -0.098 177.560 177.584 0.124 0.000 1.139 672 A CA -0.549 51.456 52.037 -0.053 0.000 0.830 672 A CB 1.536 20.400 19.000 -0.227 0.000 1.234 672 A HN 0.735 nan 8.150 nan 0.000 0.483 673 T N 0.916 115.655 114.554 0.308 0.000 2.861 673 T HA 0.585 4.935 4.350 0.001 0.000 0.287 673 T C -0.490 174.405 174.700 0.325 0.000 1.003 673 T CA -0.368 61.919 62.100 0.311 0.000 0.977 673 T CB 1.457 70.409 68.868 0.139 0.000 0.996 673 T HN 0.767 nan 8.240 nan 0.000 0.448 674 S N 1.273 117.021 115.700 0.080 0.000 2.502 674 S HA 0.440 4.911 4.470 0.001 0.000 0.304 674 S C 0.304 174.785 174.600 -0.198 0.000 1.097 674 S CA -0.802 57.188 58.200 -0.351 0.000 1.045 674 S CB 0.914 63.452 63.200 -1.102 0.000 1.019 674 S HN 0.664 nan 8.310 nan 0.000 0.481 675 K N 1.782 122.075 120.400 -0.178 0.000 2.358 675 K HA 0.144 4.465 4.320 0.001 0.000 0.200 675 K C -0.488 176.051 176.600 -0.101 0.000 1.030 675 K CA 0.154 56.381 56.287 -0.099 0.000 1.097 675 K CB 0.253 32.718 32.500 -0.057 0.000 0.862 675 K HN 0.678 nan 8.250 nan 0.000 0.534 676 D N -0.482 119.803 120.400 -0.192 0.000 2.891 676 D HA 0.136 4.777 4.640 0.001 0.000 0.332 676 D C 0.632 176.709 176.300 -0.371 0.000 1.369 676 D CA -0.489 53.408 54.000 -0.171 0.000 0.827 676 D CB 0.405 41.094 40.800 -0.186 0.000 1.141 676 D HN 0.102 nan 8.370 nan 0.000 0.464 677 G N -0.298 108.337 108.800 -0.274 0.000 2.176 677 G HA2 -0.006 3.955 3.960 0.001 0.000 0.252 677 G HA3 -0.006 3.955 3.960 0.001 0.000 0.252 677 G C 1.148 175.785 174.900 -0.439 0.000 1.024 677 G CA 0.333 45.218 45.100 -0.357 0.000 0.755 677 G HN 1.487 nan 8.290 nan 0.000 0.507 678 G N -3.070 105.428 108.800 -0.503 0.000 2.175 678 G HA2 -0.168 3.793 3.960 0.001 0.000 0.244 678 G HA3 -0.168 3.793 3.960 0.001 0.000 0.244 678 G C 1.259 175.826 174.900 -0.555 0.000 0.982 678 G CA 1.039 45.806 45.100 -0.555 0.000 0.641 678 G HN 1.436 nan 8.290 nan 0.000 0.527 679 V N 0.993 120.571 119.914 -0.559 0.000 2.346 679 V HA 0.184 4.305 4.120 0.001 0.000 0.244 679 V C 1.784 177.666 176.094 -0.353 0.000 1.037 679 V CA 2.515 64.604 62.300 -0.352 0.000 1.029 679 V CB -0.246 31.382 31.823 -0.326 0.000 0.663 679 V HN 1.082 nan 8.190 nan 0.000 0.454 680 T N -3.187 111.045 114.554 -0.538 0.000 2.916 680 T HA 0.565 4.916 4.350 0.001 0.000 0.292 680 T C -1.496 172.752 174.700 -0.753 0.000 1.055 680 T CA -0.708 61.131 62.100 -0.435 0.000 1.009 680 T CB 1.942 70.700 68.868 -0.184 0.000 1.118 680 T HN 0.212 nan 8.240 nan 0.000 0.497 681 W N 0.847 122.146 121.300 -0.001 0.000 2.632 681 W HA 0.547 5.208 4.660 0.001 0.000 0.328 681 W C 0.266 176.782 176.519 -0.005 0.000 1.044 681 W CA -0.860 56.482 57.345 -0.004 0.000 1.225 681 W CB 1.156 30.616 29.460 -0.000 0.000 1.396 681 W HN 0.569 nan 8.180 nan 0.000 0.499 682 E N 1.837 122.144 120.200 0.177 0.000 2.425 682 E HA 0.018 4.369 4.350 0.001 0.000 0.258 682 E C -0.006 176.658 176.600 0.106 0.000 1.151 682 E CA -0.289 56.172 56.400 0.102 0.000 0.958 682 E CB 0.596 30.339 29.700 0.072 0.000 0.968 682 E HN 0.356 nan 8.360 nan 0.000 0.451 683 K N 1.158 121.596 120.400 0.064 0.000 2.258 683 K HA -0.044 4.276 4.320 0.001 0.000 0.264 683 K C -0.795 175.827 176.600 0.036 0.000 1.007 683 K CA -0.090 56.226 56.287 0.048 0.000 0.941 683 K CB 0.365 32.883 32.500 0.031 0.000 0.966 683 K HN 0.335 nan 8.250 nan 0.000 0.480 684 D N 1.408 121.821 120.400 0.022 0.000 4.693 684 D HA -0.179 4.462 4.640 0.001 0.000 0.242 684 D C -0.695 175.603 176.300 -0.003 0.000 1.084 684 D CA 0.521 54.523 54.000 0.003 0.000 1.227 684 D CB -0.729 40.070 40.800 -0.002 0.000 0.779 684 D HN 0.307 nan 8.370 nan 0.000 0.380 685 I N 1.401 121.962 120.570 -0.016 0.000 2.634 685 I HA 0.031 4.201 4.170 0.001 0.000 0.284 685 I C 1.041 177.119 176.117 -0.066 0.000 1.124 685 I CA 0.211 61.490 61.300 -0.034 0.000 1.417 685 I CB 0.530 38.503 38.000 -0.046 0.000 1.396 685 I HN 0.124 nan 8.210 nan 0.000 0.571 686 K N 6.170 126.516 120.400 -0.090 0.000 2.172 686 K HA 0.492 4.813 4.320 0.001 0.000 0.276 686 K C -0.689 175.754 176.600 -0.261 0.000 1.013 686 K CA -0.248 55.919 56.287 -0.198 0.000 0.913 686 K CB 0.688 33.053 32.500 -0.225 0.000 1.055 686 K HN 0.446 nan 8.250 nan 0.000 0.461 687 R N 3.324 123.627 120.500 -0.328 0.000 2.562 687 R HA 0.338 4.678 4.340 0.001 0.000 0.298 687 R C -1.088 174.992 176.300 -0.366 0.000 0.961 687 R CA -0.766 55.193 56.100 -0.235 0.000 0.881 687 R CB 1.239 31.467 30.300 -0.120 0.000 1.159 687 R HN 0.524 nan 8.270 nan 0.000 0.450 688 Y N 3.077 123.396 120.300 0.032 0.000 2.575 688 Y HA 0.239 4.790 4.550 0.001 0.000 0.326 688 Y C -1.481 174.362 175.900 -0.095 0.000 0.979 688 Y CA -2.347 55.768 58.100 0.024 0.000 1.286 688 Y CB 1.418 39.931 38.460 0.089 0.000 1.093 688 Y HN 0.491 nan 8.280 nan 0.000 0.501 689 P HA -0.155 nan 4.420 nan 0.000 0.228 689 P C 0.370 177.612 177.300 -0.097 0.000 1.151 689 P CA 1.148 64.227 63.100 -0.034 0.000 0.770 689 P CB 0.520 32.209 31.700 -0.019 0.000 0.786 690 Q N -0.509 119.232 119.800 -0.097 0.000 2.369 690 Q HA 0.032 4.373 4.340 0.001 0.000 0.206 690 Q C 0.589 176.275 176.000 -0.524 0.000 0.963 690 Q CA 0.724 56.390 55.803 -0.229 0.000 0.894 690 Q CB -0.142 28.556 28.738 -0.066 0.000 0.965 690 Q HN 0.133 nan 8.270 nan 0.000 0.475 691 V N 1.824 121.411 119.914 -0.545 0.000 2.376 691 V HA 0.225 4.345 4.120 0.001 0.000 0.287 691 V C -0.262 175.591 176.094 -0.401 0.000 1.015 691 V CA -1.050 60.817 62.300 -0.722 0.000 0.834 691 V CB 1.433 32.601 31.823 -1.092 0.000 1.001 691 V HN 0.033 nan 8.190 nan 0.000 0.428 692 K N 2.749 122.969 120.400 -0.300 0.000 2.258 692 K HA 0.350 4.670 4.320 0.001 0.000 0.264 692 K C -0.444 176.090 176.600 -0.111 0.000 1.007 692 K CA -0.247 55.946 56.287 -0.157 0.000 0.941 692 K CB 1.163 33.599 32.500 -0.107 0.000 0.966 692 K HN 0.768 nan 8.250 nan 0.000 0.480 693 D N 0.899 121.269 120.400 -0.050 0.000 2.476 693 D HA 0.089 4.729 4.640 0.001 0.000 0.251 693 D C 0.102 176.427 176.300 0.041 0.000 1.291 693 D CA -0.666 53.333 54.000 -0.001 0.000 0.939 693 D CB 0.987 41.794 40.800 0.011 0.000 1.221 693 D HN 0.161 nan 8.370 nan 0.000 0.567 694 V N 2.902 122.854 119.914 0.063 0.000 3.415 694 V HA 0.318 4.439 4.120 0.001 0.000 0.325 694 V C 0.194 176.402 176.094 0.191 0.000 1.313 694 V CA -0.309 62.049 62.300 0.097 0.000 1.228 694 V CB -1.786 30.086 31.823 0.083 0.000 1.131 694 V HN 0.643 nan 8.190 nan 0.000 0.433 695 Y N -1.452 118.850 120.300 0.002 0.000 2.991 695 Y HA -0.082 4.469 4.550 0.001 0.000 0.124 695 Y C -0.580 175.331 175.900 0.017 0.000 2.010 695 Y CA 0.545 58.646 58.100 0.002 0.000 1.007 695 Y CB -1.401 37.067 38.460 0.013 0.000 1.603 695 Y HN 0.544 nan 8.280 nan 0.000 0.346 696 V N 4.156 123.990 119.914 -0.134 0.000 3.204 696 V HA 0.426 4.547 4.120 0.001 0.000 0.298 696 V C -0.404 175.502 176.094 -0.313 0.000 1.328 696 V CA -0.555 61.628 62.300 -0.195 0.000 1.035 696 V CB 1.868 33.676 31.823 -0.026 0.000 1.095 696 V HN 0.525 nan 8.190 nan 0.000 0.442 697 Q N 4.489 123.894 119.800 -0.658 0.000 2.428 697 Q HA 0.317 4.658 4.340 0.001 0.000 0.276 697 Q C -0.655 175.126 176.000 -0.365 0.000 1.059 697 Q CA 0.320 55.687 55.803 -0.727 0.000 0.923 697 Q CB 0.896 28.675 28.738 -1.597 0.000 1.283 697 Q HN 0.852 nan 8.270 nan 0.000 0.447 698 M N -0.016 119.463 119.600 -0.202 0.000 2.618 698 M HA 0.618 5.098 4.480 0.001 0.000 0.281 698 M C -1.233 175.059 176.300 -0.013 0.000 1.267 698 M CA -0.937 54.328 55.300 -0.059 0.000 0.845 698 M CB 2.320 34.913 32.600 -0.012 0.000 1.732 698 M HN 0.529 nan 8.290 nan 0.000 0.461 699 S N 0.645 116.364 115.700 0.033 0.000 2.549 699 S HA 1.005 5.476 4.470 0.001 0.000 0.280 699 S C -1.139 173.478 174.600 0.028 0.000 1.109 699 S CA -0.309 57.928 58.200 0.061 0.000 0.905 699 S CB 2.129 65.395 63.200 0.109 0.000 1.081 699 S HN 1.420 nan 8.310 nan 0.000 0.477 700 A N 1.988 124.821 122.820 0.021 0.000 2.549 700 A HA 0.868 5.188 4.320 0.001 0.000 0.297 700 A C -0.740 176.889 177.584 0.075 0.000 1.061 700 A CA -0.973 51.032 52.037 -0.053 0.000 0.690 700 A CB 1.064 19.823 19.000 -0.402 0.000 1.287 700 A HN 1.641 nan 8.150 nan 0.000 0.402 701 I N -0.936 119.697 120.570 0.106 0.000 2.865 701 I HA 0.542 4.713 4.170 0.001 0.000 0.302 701 I C -0.391 175.863 176.117 0.229 0.000 1.140 701 I CA -0.770 60.650 61.300 0.199 0.000 1.021 701 I CB 2.090 40.229 38.000 0.233 0.000 1.233 701 I HN 0.832 nan 8.210 nan 0.000 0.427 702 H N 2.636 121.819 119.070 0.187 0.000 2.511 702 H HA 0.581 5.138 4.556 0.001 0.000 0.346 702 H C -1.370 174.097 175.328 0.231 0.000 1.128 702 H CA 0.335 56.499 56.048 0.193 0.000 1.342 702 H CB 1.776 31.644 29.762 0.177 0.000 1.470 702 H HN 0.871 nan 8.280 nan 0.000 0.546 703 T N 4.927 119.351 114.554 -0.216 0.000 2.885 703 T HA 0.377 4.727 4.350 0.001 0.000 0.322 703 T C -1.161 173.549 174.700 0.016 0.000 1.387 703 T CA -0.864 61.291 62.100 0.091 0.000 1.041 703 T CB 0.871 69.954 68.868 0.358 0.000 1.287 703 T HN 0.488 nan 8.240 nan 0.000 0.491 704 M N 3.574 123.258 119.600 0.140 0.000 2.508 704 M HA 0.501 4.981 4.480 0.001 0.000 0.327 704 M C -0.712 175.650 176.300 0.103 0.000 1.160 704 M CA -0.687 54.694 55.300 0.135 0.000 0.980 704 M CB 1.537 34.202 32.600 0.108 0.000 1.693 704 M HN 0.750 nan 8.290 nan 0.000 0.452 705 H N 1.798 120.828 119.070 -0.065 0.000 3.128 705 H HA 0.169 4.725 4.556 0.001 0.000 0.336 705 H C -0.790 174.409 175.328 -0.215 0.000 1.026 705 H CA 0.183 56.003 56.048 -0.381 0.000 1.376 705 H CB 1.177 30.174 29.762 -1.274 0.000 1.882 705 H HN 0.859 nan 8.280 nan 0.000 0.479 706 E N 3.111 122.963 120.200 -0.579 0.000 2.440 706 E HA -0.248 4.102 4.350 0.001 0.000 0.246 706 E C 0.862 177.397 176.600 -0.109 0.000 1.165 706 E CA 0.912 57.116 56.400 -0.327 0.000 0.726 706 E CB -1.336 28.200 29.700 -0.274 0.000 1.271 706 E HN 1.105 nan 8.360 nan 0.000 0.397 707 G N -0.227 108.525 108.800 -0.080 0.000 2.184 707 G HA2 -0.367 3.594 3.960 0.001 0.000 0.264 707 G HA3 -0.367 3.594 3.960 0.001 0.000 0.264 707 G C 0.161 175.059 174.900 -0.003 0.000 0.975 707 G CA 0.933 46.016 45.100 -0.028 0.000 0.642 707 G HN 0.272 nan 8.290 nan 0.000 0.536 708 K N 0.158 120.578 120.400 0.034 0.000 2.208 708 K HA 0.541 4.862 4.320 0.001 0.000 0.247 708 K C -0.269 176.264 176.600 -0.110 0.000 0.953 708 K CA -0.727 55.535 56.287 -0.042 0.000 0.837 708 K CB 1.985 34.469 32.500 -0.027 0.000 1.131 708 K HN 0.241 nan 8.250 nan 0.000 0.431 709 E N 2.031 122.049 120.200 -0.303 0.000 2.197 709 E HA 0.246 4.596 4.350 0.001 0.000 0.281 709 E C -1.391 174.877 176.600 -0.554 0.000 0.995 709 E CA -0.373 55.865 56.400 -0.271 0.000 0.808 709 E CB 0.644 30.279 29.700 -0.109 0.000 1.093 709 E HN 0.365 nan 8.360 nan 0.000 0.394 710 Y N 2.303 122.534 120.300 -0.116 0.000 2.638 710 Y HA 0.544 5.095 4.550 0.001 0.000 0.339 710 Y C -0.293 175.532 175.900 -0.125 0.000 1.084 710 Y CA -0.967 57.093 58.100 -0.067 0.000 1.068 710 Y CB 1.638 40.162 38.460 0.107 0.000 1.294 710 Y HN 0.363 nan 8.280 nan 0.000 0.480 711 I N 2.610 123.227 120.570 0.079 0.000 2.569 711 I HA 0.428 4.599 4.170 0.001 0.000 0.290 711 I C -1.257 174.868 176.117 0.014 0.000 1.088 711 I CA -0.597 60.721 61.300 0.030 0.000 1.047 711 I CB 2.013 40.019 38.000 0.011 0.000 1.237 711 I HN 0.377 nan 8.210 nan 0.000 0.421 712 I N 6.801 127.385 120.570 0.023 0.000 2.354 712 I HA 0.477 4.647 4.170 0.001 0.000 0.292 712 I C -0.778 175.355 176.117 0.025 0.000 0.989 712 I CA -0.579 60.727 61.300 0.010 0.000 1.188 712 I CB 1.966 39.940 38.000 -0.044 0.000 1.342 712 I HN 0.357 nan 8.210 nan 0.000 0.457 713 L N 5.690 126.960 121.223 0.078 0.000 2.410 713 L HA 0.610 4.950 4.340 0.001 0.000 0.270 713 L C -0.713 176.213 176.870 0.094 0.000 0.983 713 L CA -0.056 54.805 54.840 0.035 0.000 0.822 713 L CB 1.980 44.023 42.059 -0.027 0.000 1.285 713 L HN 0.618 nan 8.230 nan 0.000 0.409 714 S N 4.431 120.174 115.700 0.072 0.000 2.513 714 S HA 0.769 5.239 4.470 0.001 0.000 0.299 714 S C -1.034 173.650 174.600 0.139 0.000 1.087 714 S CA -0.397 57.840 58.200 0.062 0.000 1.012 714 S CB 1.141 64.383 63.200 0.071 0.000 1.044 714 S HN 0.965 nan 8.310 nan 0.000 0.485 715 N N 1.137 119.922 118.700 0.142 0.000 3.355 715 N HA 0.527 5.268 4.740 0.001 0.000 0.238 715 N C -1.103 174.503 175.510 0.160 0.000 1.466 715 N CA -1.270 51.917 53.050 0.228 0.000 0.882 715 N CB 0.740 39.302 38.487 0.125 0.000 1.406 715 N HN 0.680 nan 8.380 nan 0.000 0.500 716 A N -0.503 122.464 122.820 0.246 0.000 2.511 716 A HA 0.445 4.766 4.320 0.001 0.000 0.242 716 A C 1.289 178.892 177.584 0.031 0.000 1.069 716 A CA 0.450 52.582 52.037 0.158 0.000 0.763 716 A CB -0.239 18.896 19.000 0.224 0.000 1.001 716 A HN 0.819 nan 8.150 nan 0.000 0.498 717 G N 1.098 109.865 108.800 -0.055 0.000 2.603 717 G HA2 0.484 4.444 3.960 0.001 0.000 0.214 717 G HA3 0.484 4.444 3.960 0.001 0.000 0.214 717 G C 1.013 175.897 174.900 -0.028 0.000 1.140 717 G CA 0.827 45.896 45.100 -0.052 0.000 0.800 717 G HN 2.269 nan 8.290 nan 0.000 0.533 718 G N 0.061 108.860 108.800 -0.001 0.000 2.631 718 G HA2 -0.094 3.867 3.960 0.001 0.000 0.504 718 G HA3 -0.094 3.867 3.960 0.001 0.000 0.504 718 G C -1.158 173.745 174.900 0.005 0.000 1.306 718 G CA -0.051 45.056 45.100 0.013 0.000 0.897 718 G HN 0.111 nan 8.290 nan 0.000 0.520 719 P HA -0.005 nan 4.420 nan 0.000 0.220 719 P C 0.858 178.180 177.300 0.037 0.000 1.148 719 P CA 1.343 64.452 63.100 0.016 0.000 0.803 719 P CB 0.168 31.874 31.700 0.011 0.000 0.782 720 K N -0.347 120.084 120.400 0.052 0.000 2.512 720 K HA 0.375 4.696 4.320 0.001 0.000 0.272 720 K C 0.575 177.236 176.600 0.102 0.000 1.033 720 K CA -0.914 55.418 56.287 0.075 0.000 1.096 720 K CB 0.639 33.183 32.500 0.074 0.000 1.498 720 K HN -0.254 nan 8.250 nan 0.000 0.629 721 R N 2.509 123.088 120.500 0.132 0.000 3.268 721 R HA 0.027 4.367 4.340 0.001 0.000 0.217 721 R C -0.358 176.068 176.300 0.209 0.000 1.568 721 R CA 0.142 56.346 56.100 0.174 0.000 1.322 721 R CB -0.441 29.974 30.300 0.191 0.000 1.280 721 R HN 0.566 nan 8.270 nan 0.000 0.667 722 E N -0.115 120.195 120.200 0.183 0.000 2.445 722 E HA 0.160 4.511 4.350 0.001 0.000 0.279 722 E C -0.956 175.687 176.600 0.072 0.000 1.018 722 E CA -1.278 55.227 56.400 0.175 0.000 0.816 722 E CB 0.734 30.506 29.700 0.121 0.000 1.356 722 E HN 0.051 nan 8.360 nan 0.000 0.462 723 N N -0.278 118.424 118.700 0.003 0.000 2.608 723 N HA -0.134 4.607 4.740 0.001 0.000 0.273 723 N C -0.547 174.716 175.510 -0.412 0.000 1.133 723 N CA 1.062 54.013 53.050 -0.166 0.000 0.726 723 N CB -0.918 37.501 38.487 -0.113 0.000 0.890 723 N HN 0.808 nan 8.380 nan 0.000 0.548 724 G N 1.572 109.827 108.800 -0.909 0.000 2.380 724 G HA2 0.437 4.398 3.960 0.001 0.000 0.242 724 G HA3 0.437 4.398 3.960 0.001 0.000 0.242 724 G C 0.292 174.577 174.900 -1.024 0.000 1.298 724 G CA -0.199 43.792 45.100 -1.849 0.000 0.878 724 G HN 0.464 nan 8.290 nan 0.000 0.542 725 M N 0.874 120.002 119.600 -0.786 0.000 2.644 725 M HA 0.458 4.939 4.480 0.001 0.000 0.304 725 M C -0.419 175.486 176.300 -0.658 0.000 1.215 725 M CA -1.112 53.793 55.300 -0.658 0.000 0.871 725 M CB 2.721 34.917 32.600 -0.673 0.000 1.740 725 M HN 0.353 nan 8.290 nan 0.000 0.464 726 V N -1.024 118.521 119.914 -0.614 0.000 2.326 726 V HA 0.485 4.606 4.120 0.001 0.000 0.281 726 V C -0.681 175.127 176.094 -0.477 0.000 1.015 726 V CA -0.664 61.347 62.300 -0.481 0.000 0.823 726 V CB 0.474 32.001 31.823 -0.494 0.000 1.009 726 V HN 0.732 nan 8.190 nan 0.000 0.436 727 H N 4.856 123.855 119.070 -0.118 0.000 2.580 727 H HA 0.568 5.125 4.556 0.001 0.000 0.322 727 H C -0.580 174.785 175.328 0.062 0.000 1.082 727 H CA -0.415 55.617 56.048 -0.027 0.000 1.383 727 H CB 2.406 32.165 29.762 -0.005 0.000 1.450 727 H HN 0.657 nan 8.280 nan 0.000 0.505 728 L N 2.810 124.080 121.223 0.077 0.000 2.313 728 L HA 0.590 4.931 4.340 0.001 0.000 0.283 728 L C -0.723 176.148 176.870 0.002 0.000 1.013 728 L CA -0.496 54.324 54.840 -0.033 0.000 0.816 728 L CB 1.123 43.009 42.059 -0.288 0.000 1.236 728 L HN 0.709 nan 8.230 nan 0.000 0.419 729 A N 5.471 128.180 122.820 -0.186 0.000 2.386 729 A HA 0.739 5.060 4.320 0.001 0.000 0.311 729 A C -0.875 176.590 177.584 -0.198 0.000 1.068 729 A CA -0.800 50.907 52.037 -0.549 0.000 0.743 729 A CB 1.187 19.229 19.000 -1.598 0.000 1.258 729 A HN 0.753 nan 8.150 nan 0.000 0.429 730 R N 1.993 122.372 120.500 -0.201 0.000 2.349 730 R HA 0.539 4.880 4.340 0.001 0.000 0.299 730 R C -1.418 174.705 176.300 -0.295 0.000 1.027 730 R CA -0.321 55.624 56.100 -0.258 0.000 0.958 730 R CB 1.029 31.215 30.300 -0.189 0.000 1.047 730 R HN 0.448 nan 8.270 nan 0.000 0.468 731 V N 5.825 125.556 119.914 -0.305 0.000 2.320 731 V HA 0.108 4.228 4.120 0.001 0.000 0.265 731 V C 0.246 176.247 176.094 -0.154 0.000 1.048 731 V CA -0.469 61.725 62.300 -0.178 0.000 0.865 731 V CB 0.825 32.589 31.823 -0.098 0.000 1.043 731 V HN 0.780 nan 8.190 nan 0.000 0.474 732 E N 3.396 123.530 120.200 -0.111 0.000 2.428 732 E HA 0.067 4.417 4.350 0.001 0.000 0.257 732 E C 1.071 177.642 176.600 -0.048 0.000 1.197 732 E CA -0.256 56.098 56.400 -0.077 0.000 0.974 732 E CB 0.866 30.538 29.700 -0.046 0.000 0.976 732 E HN 0.500 nan 8.360 nan 0.000 0.463 733 E N 1.209 121.387 120.200 -0.036 0.000 2.118 733 E HA -0.193 4.158 4.350 0.001 0.000 0.195 733 E C 1.291 177.886 176.600 -0.009 0.000 0.992 733 E CA 1.322 57.709 56.400 -0.021 0.000 0.804 733 E CB -0.306 29.384 29.700 -0.016 0.000 0.741 733 E HN 0.484 nan 8.360 nan 0.000 0.458 734 N N -0.341 118.356 118.700 -0.005 0.000 2.571 734 N HA -0.005 4.735 4.740 0.001 0.000 0.189 734 N C 1.203 176.719 175.510 0.010 0.000 1.154 734 N CA 1.047 54.099 53.050 0.004 0.000 0.907 734 N CB 0.050 38.542 38.487 0.008 0.000 0.977 734 N HN 0.178 nan 8.380 nan 0.000 0.449 735 G N -1.022 107.782 108.800 0.006 0.000 2.176 735 G HA2 -0.319 3.642 3.960 0.001 0.000 0.253 735 G HA3 -0.319 3.642 3.960 0.001 0.000 0.253 735 G C -0.245 174.670 174.900 0.025 0.000 0.979 735 G CA 0.194 45.304 45.100 0.018 0.000 0.641 735 G HN 0.506 nan 8.290 nan 0.000 0.530 736 E N -0.204 120.008 120.200 0.020 0.000 2.374 736 E HA 0.542 4.892 4.350 0.001 0.000 0.260 736 E C 0.386 176.978 176.600 -0.013 0.000 1.101 736 E CA -0.307 56.116 56.400 0.040 0.000 0.907 736 E CB 0.786 30.514 29.700 0.048 0.000 1.014 736 E HN 0.313 nan 8.360 nan 0.000 0.427 737 L N 1.649 122.865 121.223 -0.010 0.000 2.307 737 L HA 0.327 4.668 4.340 0.001 0.000 0.284 737 L C -0.258 176.433 176.870 -0.299 0.000 1.023 737 L CA -0.455 54.236 54.840 -0.247 0.000 0.810 737 L CB 1.610 43.411 42.059 -0.429 0.000 1.231 737 L HN 0.434 nan 8.230 nan 0.000 0.423 738 T N 1.233 115.563 114.554 -0.374 0.000 2.809 738 T HA 0.294 4.645 4.350 0.001 0.000 0.296 738 T C -0.741 173.749 174.700 -0.350 0.000 1.015 738 T CA -0.434 61.528 62.100 -0.230 0.000 0.954 738 T CB 0.372 69.187 68.868 -0.089 0.000 0.950 738 T HN 0.273 nan 8.240 nan 0.000 0.450 739 W N 3.796 125.087 121.300 -0.016 0.000 2.304 739 W HA 0.368 5.028 4.660 0.001 0.000 0.313 739 W C 0.969 177.452 176.519 -0.060 0.000 1.323 739 W CA -0.621 56.701 57.345 -0.039 0.000 1.223 739 W CB 0.349 29.845 29.460 0.060 0.000 1.237 739 W HN 0.615 nan 8.180 nan 0.000 0.535 740 L N 1.928 123.166 121.223 0.025 0.000 2.577 740 L HA 0.307 4.648 4.340 0.001 0.000 0.225 740 L C 0.537 177.297 176.870 -0.182 0.000 1.053 740 L CA 0.411 55.222 54.840 -0.048 0.000 0.866 740 L CB -0.147 41.892 42.059 -0.035 0.000 1.132 740 L HN 0.132 nan 8.230 nan 0.000 0.486 741 K N -0.969 119.207 120.400 -0.373 0.000 2.512 741 K HA 0.466 4.786 4.320 0.001 0.000 0.263 741 K C -0.993 175.167 176.600 -0.733 0.000 0.966 741 K CA -0.507 55.503 56.287 -0.461 0.000 0.851 741 K CB 1.278 33.544 32.500 -0.391 0.000 1.395 741 K HN -0.059 nan 8.250 nan 0.000 0.440 742 H N 0.909 119.894 119.070 -0.142 0.000 2.924 742 H HA 0.237 4.794 4.556 0.001 0.000 0.229 742 H C -0.718 174.405 175.328 -0.341 0.000 1.345 742 H CA -0.713 55.220 56.048 -0.192 0.000 1.044 742 H CB 0.344 30.090 29.762 -0.025 0.000 2.221 742 H HN 0.380 nan 8.280 nan 0.000 0.574 743 N N 3.878 122.353 118.700 -0.376 0.000 2.454 743 N HA 0.036 4.777 4.740 0.001 0.000 0.260 743 N C -2.231 173.033 175.510 -0.409 0.000 1.218 743 N CA -0.885 51.896 53.050 -0.448 0.000 0.904 743 N CB 0.928 38.960 38.487 -0.758 0.000 1.065 743 N HN 0.261 nan 8.380 nan 0.000 0.462 744 P HA 0.123 nan 4.420 nan 0.000 0.275 744 P C 0.424 177.613 177.300 -0.186 0.000 1.227 744 P CA -0.087 62.844 63.100 -0.282 0.000 0.781 744 P CB 1.220 32.793 31.700 -0.211 0.000 0.906 745 I N 0.657 121.038 120.570 -0.316 0.000 4.312 745 I HA 0.142 4.312 4.170 0.001 0.000 0.324 745 I C -0.095 175.800 176.117 -0.370 0.000 1.298 745 I CA 0.426 61.562 61.300 -0.274 0.000 1.231 745 I CB 0.608 38.370 38.000 -0.397 0.000 1.152 745 I HN 0.269 nan 8.210 nan 0.000 0.421 746 Q N 2.093 121.612 119.800 -0.468 0.000 2.334 746 Q HA 0.239 4.579 4.340 0.001 0.000 0.249 746 Q C -1.109 174.713 176.000 -0.297 0.000 0.909 746 Q CA -0.724 54.838 55.803 -0.401 0.000 0.823 746 Q CB 1.157 29.583 28.738 -0.520 0.000 1.353 746 Q HN 0.230 nan 8.270 nan 0.000 0.433 747 K N 2.042 122.338 120.400 -0.174 0.000 2.138 747 K HA 0.790 5.110 4.320 0.001 0.000 0.251 747 K C 0.500 177.130 176.600 0.050 0.000 1.015 747 K CA 0.147 56.392 56.287 -0.070 0.000 0.917 747 K CB 0.521 33.002 32.500 -0.031 0.000 1.021 747 K HN 0.869 nan 8.250 nan 0.000 0.485 748 G N 0.603 109.471 108.800 0.113 0.000 2.642 748 G HA2 -0.218 3.742 3.960 0.001 0.000 0.231 748 G HA3 -0.218 3.742 3.960 0.001 0.000 0.231 748 G C -1.028 174.057 174.900 0.308 0.000 1.338 748 G CA -0.355 44.882 45.100 0.229 0.000 0.883 748 G HN 0.731 nan 8.290 nan 0.000 0.570 749 E N -0.395 120.018 120.200 0.356 0.000 2.529 749 E HA 0.416 4.767 4.350 0.001 0.000 0.259 749 E C -0.454 176.488 176.600 0.570 0.000 0.966 749 E CA 0.730 57.358 56.400 0.379 0.000 0.937 749 E CB 0.658 30.526 29.700 0.279 0.000 0.923 749 E HN 0.701 nan 8.360 nan 0.000 0.468 750 F N 0.864 120.943 119.950 0.216 0.000 2.623 750 F HA 0.470 4.997 4.527 0.001 0.000 0.323 750 F C -0.591 175.228 175.800 0.032 0.000 1.158 750 F CA -0.282 57.785 58.000 0.112 0.000 1.030 750 F CB 0.883 39.886 39.000 0.006 0.000 1.280 750 F HN 0.459 nan 8.300 nan 0.000 0.474 751 A N 3.560 126.085 122.820 -0.492 0.000 2.905 751 A HA 0.530 4.851 4.320 0.001 0.000 0.193 751 A C -1.256 176.160 177.584 -0.279 0.000 1.268 751 A CA -0.235 51.642 52.037 -0.266 0.000 1.416 751 A CB -0.296 18.515 19.000 -0.315 0.000 1.753 751 A HN 0.552 nan 8.150 nan 0.000 0.583 752 Y N 2.546 122.599 120.300 -0.412 0.000 2.578 752 Y HA 0.308 4.859 4.550 0.001 0.000 0.339 752 Y C 0.922 176.659 175.900 -0.271 0.000 1.231 752 Y CA 0.151 58.098 58.100 -0.254 0.000 1.461 752 Y CB 0.202 38.562 38.460 -0.165 0.000 1.323 752 Y HN 0.716 nan 8.280 nan 0.000 0.590 753 N N -0.582 118.124 118.700 0.009 0.000 2.825 753 N HA 0.503 5.244 4.740 0.001 0.000 0.253 753 N C -1.777 173.814 175.510 0.135 0.000 1.426 753 N CA -0.833 52.261 53.050 0.073 0.000 0.851 753 N CB 2.221 40.774 38.487 0.110 0.000 1.470 753 N HN 0.391 nan 8.380 nan 0.000 0.517 754 S N 0.442 116.257 115.700 0.191 0.000 2.668 754 S HA 0.501 4.971 4.470 0.001 0.000 0.277 754 S C -1.238 173.511 174.600 0.249 0.000 1.170 754 S CA -0.678 57.644 58.200 0.204 0.000 0.994 754 S CB 0.379 63.702 63.200 0.205 0.000 1.051 754 S HN 0.462 nan 8.310 nan 0.000 0.484 755 L N 3.986 125.352 121.223 0.238 0.000 2.343 755 L HA 0.704 5.044 4.340 0.001 0.000 0.275 755 L C -0.145 176.887 176.870 0.271 0.000 1.056 755 L CA -0.612 54.390 54.840 0.270 0.000 0.804 755 L CB 1.388 43.597 42.059 0.251 0.000 1.203 755 L HN 0.537 nan 8.230 nan 0.000 0.440 756 Q N 1.754 121.728 119.800 0.290 0.000 2.353 756 Q HA 0.276 4.616 4.340 0.001 0.000 0.275 756 Q C -1.382 174.778 176.000 0.267 0.000 1.029 756 Q CA -0.598 55.367 55.803 0.270 0.000 0.848 756 Q CB 2.810 31.705 28.738 0.262 0.000 1.390 756 Q HN 0.545 nan 8.270 nan 0.000 0.401 757 E N 2.228 122.573 120.200 0.243 0.000 2.283 757 E HA 0.239 4.589 4.350 0.001 0.000 0.278 757 E C 0.219 176.820 176.600 0.002 0.000 1.027 757 E CA 0.009 56.481 56.400 0.121 0.000 0.843 757 E CB 0.669 30.458 29.700 0.149 0.000 1.062 757 E HN 0.535 nan 8.360 nan 0.000 0.401 758 L N 3.238 124.377 121.223 -0.140 0.000 2.556 758 L HA 0.364 4.704 4.340 0.001 0.000 0.226 758 L C 0.899 177.710 176.870 -0.098 0.000 1.089 758 L CA 0.417 55.215 54.840 -0.069 0.000 0.864 758 L CB 0.099 42.132 42.059 -0.044 0.000 1.067 758 L HN 0.828 nan 8.230 nan 0.000 0.477 759 G N 0.547 109.240 108.800 -0.179 0.000 2.629 759 G HA2 -0.185 3.776 3.960 0.001 0.000 0.686 759 G HA3 -0.185 3.776 3.960 0.001 0.000 0.686 759 G C -0.011 174.806 174.900 -0.138 0.000 1.232 759 G CA -0.283 44.740 45.100 -0.128 0.000 0.803 759 G HN 0.312 nan 8.290 nan 0.000 0.638 760 N N -0.812 117.829 118.700 -0.098 0.000 2.740 760 N HA 0.180 4.920 4.740 0.001 0.000 0.248 760 N C 1.742 177.212 175.510 -0.067 0.000 1.062 760 N CA 3.069 56.078 53.050 -0.069 0.000 0.704 760 N CB -0.916 37.542 38.487 -0.047 0.000 0.968 760 N HN 2.731 nan 8.380 nan 0.000 0.547 761 G N -1.386 107.357 108.800 -0.095 0.000 2.155 761 G HA2 -0.320 3.641 3.960 0.001 0.000 0.257 761 G HA3 -0.320 3.641 3.960 0.001 0.000 0.257 761 G C -0.193 174.641 174.900 -0.110 0.000 0.983 761 G CA 0.738 45.836 45.100 -0.002 0.000 0.676 761 G HN 0.654 nan 8.290 nan 0.000 0.528 762 E N -1.086 118.899 120.200 -0.358 0.000 2.221 762 E HA 0.711 5.062 4.350 0.001 0.000 0.268 762 E C -0.921 175.203 176.600 -0.793 0.000 0.933 762 E CA -0.817 55.358 56.400 -0.375 0.000 0.809 762 E CB 1.368 30.965 29.700 -0.171 0.000 1.190 762 E HN 0.301 nan 8.360 nan 0.000 0.406 763 Y N -0.739 119.304 120.300 -0.428 0.000 2.553 763 Y HA 0.605 5.155 4.550 0.001 0.000 0.347 763 Y C 0.371 175.931 175.900 -0.566 0.000 1.019 763 Y CA -0.973 56.803 58.100 -0.540 0.000 1.032 763 Y CB 2.458 40.376 38.460 -0.904 0.000 1.284 763 Y HN 0.597 nan 8.280 nan 0.000 0.466 764 G N 1.254 110.035 108.800 -0.032 0.000 2.519 764 G HA2 0.734 4.695 3.960 0.001 0.000 0.307 764 G HA3 0.734 4.695 3.960 0.001 0.000 0.307 764 G C -2.001 173.008 174.900 0.181 0.000 1.266 764 G CA -0.824 44.299 45.100 0.039 0.000 0.970 764 G HN 0.661 nan 8.290 nan 0.000 0.481 765 I N 0.784 121.385 120.570 0.050 0.000 2.644 765 I HA 0.519 4.690 4.170 0.001 0.000 0.291 765 I C -1.806 174.481 176.117 0.284 0.000 1.180 765 I CA -1.039 60.420 61.300 0.265 0.000 1.040 765 I CB 2.106 40.320 38.000 0.358 0.000 1.255 765 I HN 0.432 nan 8.210 nan 0.000 0.422 766 L N 9.363 130.791 121.223 0.342 0.000 2.313 766 L HA 0.639 4.980 4.340 0.001 0.000 0.283 766 L C -1.383 175.606 176.870 0.198 0.000 1.013 766 L CA -0.143 54.840 54.840 0.238 0.000 0.816 766 L CB 1.183 43.381 42.059 0.232 0.000 1.236 766 L HN 0.549 nan 8.230 nan 0.000 0.419 767 Y N 1.045 121.360 120.300 0.026 0.000 2.625 767 Y HA 0.655 5.206 4.550 0.001 0.000 0.338 767 Y C -0.923 174.870 175.900 -0.178 0.000 1.123 767 Y CA -1.247 56.773 58.100 -0.134 0.000 1.046 767 Y CB 0.964 39.295 38.460 -0.214 0.000 1.299 767 Y HN 0.545 nan 8.280 nan 0.000 0.464 768 E N 1.478 121.565 120.200 -0.189 0.000 2.259 768 E HA 0.348 4.699 4.350 0.001 0.000 0.281 768 E C -1.448 175.093 176.600 -0.099 0.000 1.027 768 E CA -0.317 55.886 56.400 -0.329 0.000 0.838 768 E CB 0.899 30.090 29.700 -0.847 0.000 1.066 768 E HN 0.715 nan 8.360 nan 0.000 0.401 769 H N 0.582 119.694 119.070 0.069 0.000 3.037 769 H HA 0.354 4.911 4.556 0.001 0.000 0.336 769 H C -1.540 173.987 175.328 0.331 0.000 1.323 769 H CA -0.521 55.699 56.048 0.287 0.000 1.159 769 H CB 1.599 31.608 29.762 0.413 0.000 1.882 769 H HN 0.496 nan 8.280 nan 0.000 0.535 770 T N 1.043 115.305 114.554 -0.486 0.000 2.883 770 T HA 0.693 5.044 4.350 0.001 0.000 0.301 770 T C -1.126 173.242 174.700 -0.553 0.000 1.158 770 T CA -0.689 61.186 62.100 -0.375 0.000 1.007 770 T CB 2.512 71.291 68.868 -0.149 0.000 1.186 770 T HN 0.851 nan 8.240 nan 0.000 0.499 771 E N 0.277 120.327 120.200 -0.249 0.000 2.396 771 E HA 0.476 4.827 4.350 0.001 0.000 0.280 771 E C -0.921 175.655 176.600 -0.040 0.000 1.065 771 E CA -1.340 54.998 56.400 -0.104 0.000 0.831 771 E CB 0.978 30.681 29.700 0.004 0.000 1.272 771 E HN 0.624 nan 8.360 nan 0.000 0.443 772 K N 0.326 120.719 120.400 -0.012 0.000 3.077 772 K HA -0.239 4.082 4.320 0.001 0.000 0.264 772 K C 0.634 177.223 176.600 -0.019 0.000 1.008 772 K CA 1.964 58.248 56.287 -0.006 0.000 0.740 772 K CB -1.883 30.622 32.500 0.009 0.000 1.273 772 K HN 1.424 nan 8.250 nan 0.000 0.477 773 G N -0.885 107.896 108.800 -0.032 0.000 2.159 773 G HA2 -0.370 3.590 3.960 0.001 0.000 0.256 773 G HA3 -0.370 3.590 3.960 0.001 0.000 0.256 773 G C -0.046 174.824 174.900 -0.051 0.000 0.977 773 G CA 0.476 45.552 45.100 -0.040 0.000 0.652 773 G HN 0.542 nan 8.290 nan 0.000 0.531 774 Q N 0.472 120.238 119.800 -0.057 0.000 2.330 774 Q HA 0.264 4.604 4.340 0.001 0.000 0.279 774 Q C 0.689 176.633 176.000 -0.094 0.000 1.024 774 Q CA 0.114 55.883 55.803 -0.058 0.000 0.900 774 Q CB 0.364 29.073 28.738 -0.048 0.000 1.221 774 Q HN 0.661 nan 8.270 nan 0.000 0.396 775 N N 0.303 118.950 118.700 -0.088 0.000 2.482 775 N HA 0.213 4.954 4.740 0.001 0.000 0.260 775 N C -0.730 174.661 175.510 -0.198 0.000 1.236 775 N CA -0.509 52.460 53.050 -0.135 0.000 0.938 775 N CB 0.566 38.988 38.487 -0.108 0.000 1.128 775 N HN 0.584 nan 8.380 nan 0.000 0.448 776 A N 2.064 124.674 122.820 -0.350 0.000 2.444 776 A HA 0.252 4.573 4.320 0.001 0.000 0.273 776 A C -1.084 176.331 177.584 -0.282 0.000 1.136 776 A CA 0.398 52.025 52.037 -0.682 0.000 0.799 776 A CB -0.531 17.874 19.000 -0.992 0.000 1.081 776 A HN 0.634 nan 8.150 nan 0.000 0.509 777 Y N 0.016 120.281 120.300 -0.057 0.000 2.669 777 Y HA 0.541 5.092 4.550 0.001 0.000 0.335 777 Y C 0.607 176.520 175.900 0.021 0.000 1.116 777 Y CA -0.551 57.529 58.100 -0.033 0.000 1.081 777 Y CB 2.021 40.456 38.460 -0.042 0.000 1.297 777 Y HN 0.471 nan 8.280 nan 0.000 0.484 778 T N 2.605 117.291 114.554 0.220 0.000 2.797 778 T HA 0.496 4.847 4.350 0.001 0.000 0.279 778 T C -1.252 173.490 174.700 0.070 0.000 0.991 778 T CA -0.509 61.669 62.100 0.130 0.000 0.979 778 T CB 0.414 69.326 68.868 0.074 0.000 0.943 778 T HN 0.159 nan 8.240 nan 0.000 0.444 779 L N 3.512 124.748 121.223 0.022 0.000 2.264 779 L HA 0.503 4.844 4.340 0.001 0.000 0.289 779 L C 0.379 177.121 176.870 -0.213 0.000 1.044 779 L CA 0.179 54.975 54.840 -0.074 0.000 0.807 779 L CB 1.148 43.239 42.059 0.054 0.000 1.192 779 L HN 0.601 nan 8.230 nan 0.000 0.425 780 S N 2.769 118.207 115.700 -0.436 0.000 2.607 780 S HA 0.681 5.151 4.470 0.001 0.000 0.303 780 S C -0.948 173.375 174.600 -0.463 0.000 1.086 780 S CA -0.508 57.414 58.200 -0.464 0.000 0.995 780 S CB 1.889 64.819 63.200 -0.450 0.000 1.084 780 S HN 0.340 nan 8.310 nan 0.000 0.507 781 F N 1.355 121.113 119.950 -0.320 0.000 2.546 781 F HA 0.728 5.256 4.527 0.001 0.000 0.320 781 F C -0.283 175.575 175.800 0.097 0.000 1.076 781 F CA -0.624 57.329 58.000 -0.078 0.000 0.928 781 F CB 1.164 40.135 39.000 -0.048 0.000 1.189 781 F HN 0.458 nan 8.300 nan 0.000 0.465 782 R N 3.720 123.789 120.500 -0.718 0.000 2.707 782 R HA 0.376 4.716 4.340 0.001 0.000 0.272 782 R C -1.741 174.135 176.300 -0.708 0.000 1.011 782 R CA -1.265 54.578 56.100 -0.429 0.000 0.893 782 R CB 2.672 32.944 30.300 -0.046 0.000 1.233 782 R HN 0.651 nan 8.270 nan 0.000 0.464 783 K N 2.794 123.023 120.400 -0.286 0.000 2.324 783 K HA 0.509 4.829 4.320 0.001 0.000 0.253 783 K C -1.440 175.161 176.600 0.001 0.000 0.932 783 K CA -0.525 55.671 56.287 -0.151 0.000 0.799 783 K CB 1.046 33.566 32.500 0.033 0.000 1.154 783 K HN 0.428 nan 8.250 nan 0.000 0.425 784 F N 0.704 120.620 119.950 -0.058 0.000 2.629 784 F HA 0.486 5.014 4.527 0.001 0.000 0.316 784 F C -0.699 175.203 175.800 0.170 0.000 1.081 784 F CA -1.099 56.870 58.000 -0.053 0.000 0.954 784 F CB 0.803 39.674 39.000 -0.215 0.000 1.337 784 F HN 0.653 nan 8.300 nan 0.000 0.474 785 N N -0.335 118.581 118.700 0.361 0.000 2.741 785 N HA 0.166 4.907 4.740 0.001 0.000 0.310 785 N C 0.191 175.994 175.510 0.488 0.000 1.295 785 N CA -0.999 52.262 53.050 0.352 0.000 0.893 785 N CB 1.288 39.922 38.487 0.245 0.000 1.247 785 N HN 0.883 nan 8.380 nan 0.000 0.596 786 W N 0.616 122.073 121.300 0.261 0.000 2.363 786 W HA -0.167 4.494 4.660 0.001 0.000 0.296 786 W C 0.547 177.086 176.519 0.032 0.000 1.212 786 W CA 1.603 59.014 57.345 0.110 0.000 1.260 786 W CB -0.294 29.150 29.460 -0.026 0.000 1.131 786 W HN 0.609 nan 8.180 nan 0.000 0.530 787 D N -0.040 120.459 120.400 0.166 0.000 2.144 787 D HA -0.207 4.434 4.640 0.001 0.000 0.199 787 D C 1.807 178.082 176.300 -0.040 0.000 0.984 787 D CA 1.478 55.505 54.000 0.046 0.000 0.834 787 D CB -0.978 39.897 40.800 0.126 0.000 0.955 787 D HN 0.167 nan 8.370 nan 0.000 0.465 788 F N 1.295 121.216 119.950 -0.048 0.000 2.134 788 F HA -0.143 4.384 4.527 0.001 0.000 0.299 788 F C 2.050 177.709 175.800 -0.236 0.000 1.097 788 F CA 0.757 58.701 58.000 -0.093 0.000 1.264 788 F CB -0.212 38.790 39.000 0.004 0.000 1.001 788 F HN -0.113 nan 8.300 nan 0.000 0.479 789 L N 0.160 121.189 121.223 -0.323 0.000 2.109 789 L HA -0.063 4.278 4.340 0.001 0.000 0.207 789 L C 2.388 178.795 176.870 -0.773 0.000 1.086 789 L CA 2.155 56.634 54.840 -0.600 0.000 0.760 789 L CB -0.820 40.923 42.059 -0.527 0.000 0.910 789 L HN 0.312 nan 8.230 nan 0.000 0.437 790 S N -2.701 112.493 115.700 -0.844 0.000 2.511 790 S HA 0.195 4.666 4.470 0.001 0.000 0.214 790 S C 0.684 175.048 174.600 -0.394 0.000 0.997 790 S CA -0.420 57.358 58.200 -0.703 0.000 0.908 790 S CB -0.048 62.626 63.200 -0.877 0.000 0.803 790 S HN 0.296 nan 8.310 nan 0.000 0.504 791 K N 1.668 121.860 120.400 -0.347 0.000 2.208 791 K HA 0.406 4.727 4.320 0.001 0.000 0.247 791 K C -1.202 175.249 176.600 -0.247 0.000 0.953 791 K CA -0.869 55.285 56.287 -0.222 0.000 0.837 791 K CB 0.818 33.238 32.500 -0.133 0.000 1.131 791 K HN 0.122 nan 8.250 nan 0.000 0.431 792 D N 1.799 122.096 120.400 -0.173 0.000 2.400 792 D HA 0.063 4.704 4.640 0.001 0.000 0.238 792 D C 0.363 176.567 176.300 -0.160 0.000 1.157 792 D CA 0.401 54.302 54.000 -0.164 0.000 0.889 792 D CB 0.691 41.429 40.800 -0.103 0.000 1.199 792 D HN 0.224 nan 8.370 nan 0.000 0.436 793 L N 0.000 121.124 121.223 -0.166 0.000 2.949 793 L HA 0.000 4.341 4.340 0.001 0.000 0.249 793 L CA 0.000 54.767 54.840 -0.121 0.000 0.813 793 L CB 0.000 41.971 42.059 -0.146 0.000 0.961 793 L HN 0.000 nan 8.230 nan 0.000 0.502