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 2h1l_1_C DATA FIRST_RESID 265 DATA SEQUENCE TKQVSWKLVT EYAMETKCDD VLLLLGMYLE FQYSFEMCLK CIKKEQPSHY DATA SEQUENCE KYHEKHYANA AIFADSKNQK TICQQAVDTV LAKKRVDSLQ LTREQMLTNR DATA SEQUENCE FNDLLDRMDI MFGSTGSADI EEWMAGVAWL HCLLPKMDSV VYDFLKCMVY DATA SEQUENCE NIPKKRYWLF KGPIDSGKTT LAAALLELCG GKALNVNLPL DRLNFELGVA DATA SEQUENCE IDQFLVVFED VKGTGGESRD LPSGQGINNL DNLRDYLDGS VKVNLEKKHL DATA SEQUENCE NKRTQIFPPG IVTMNEYSVP KTLQARFVKQ IDFRPKDYLK HCLERSEFLL DATA SEQUENCE EKRIIQSGIA LLLMLIWYRP VAEFAQSIQS RIVEWKERLD KEFSLSVYQK DATA SEQUENCE MKFNVAMGIG VLD 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 265 T HA 0.000 nan 4.350 nan 0.000 0.228 265 T C 0.000 174.718 174.700 0.030 0.000 1.109 265 T CA 0.000 62.115 62.100 0.025 0.000 1.349 265 T CB 0.000 68.885 68.868 0.028 0.000 0.612 266 K N 2.909 123.329 120.400 0.034 0.000 6.098 266 K HA -0.181 4.139 4.320 -0.000 0.000 0.538 266 K C 0.204 176.838 176.600 0.057 0.000 1.338 266 K CA 0.429 56.740 56.287 0.041 0.000 1.473 266 K CB -0.404 32.114 32.500 0.030 0.000 1.815 266 K HN 0.738 nan 8.250 nan 0.000 0.359 267 Q N -0.120 119.725 119.800 0.076 0.000 2.199 267 Q HA 0.686 5.026 4.340 -0.000 0.000 0.205 267 Q C -0.028 176.057 176.000 0.141 0.000 1.001 267 Q CA -1.178 54.690 55.803 0.108 0.000 1.019 267 Q CB 1.227 30.035 28.738 0.118 0.000 1.132 267 Q HN 0.208 nan 8.270 nan 0.000 0.530 268 V N 0.226 120.260 119.914 0.200 0.000 2.837 268 V HA 0.313 4.433 4.120 -0.000 0.000 0.310 268 V C -0.603 175.678 176.094 0.312 0.000 1.059 268 V CA -0.344 62.101 62.300 0.241 0.000 1.004 268 V CB 1.821 33.794 31.823 0.249 0.000 1.045 268 V HN 0.871 nan 8.190 nan 0.000 0.465 269 S N 5.252 121.118 115.700 0.277 0.000 2.543 269 S HA 0.200 4.670 4.470 -0.000 0.000 0.299 269 S C 0.326 175.108 174.600 0.303 0.000 1.125 269 S CA -0.532 57.838 58.200 0.282 0.000 1.098 269 S CB -0.075 63.248 63.200 0.204 0.000 1.063 269 S HN 0.741 nan 8.310 nan 0.000 0.493 270 W N 4.054 125.386 121.300 0.054 0.000 2.335 270 W HA -0.059 4.600 4.660 -0.000 0.000 0.311 270 W C 2.355 178.860 176.519 -0.024 0.000 1.213 270 W CA 1.095 58.447 57.345 0.011 0.000 1.274 270 W CB -0.479 28.993 29.460 0.021 0.000 1.148 270 W HN 0.606 nan 8.180 nan 0.000 0.498 271 K N 0.353 120.906 120.400 0.255 0.000 2.074 271 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 271 K C 1.981 178.648 176.600 0.112 0.000 1.048 271 K CA 1.744 58.117 56.287 0.144 0.000 0.926 271 K CB -0.623 31.948 32.500 0.117 0.000 0.713 271 K HN 0.168 nan 8.250 nan 0.000 0.444 272 L N 0.379 121.686 121.223 0.139 0.000 2.083 272 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 272 L C 2.294 179.162 176.870 -0.003 0.000 1.083 272 L CA 0.862 55.821 54.840 0.198 0.000 0.752 272 L CB -0.198 42.046 42.059 0.307 0.000 0.899 272 L HN 0.081 nan 8.230 nan 0.000 0.433 273 V N -1.049 118.722 119.914 -0.239 0.000 2.307 273 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 273 V C 2.493 178.379 176.094 -0.347 0.000 1.045 273 V CA 2.237 64.131 62.300 -0.677 0.000 1.024 273 V CB -0.869 30.462 31.823 -0.821 0.000 0.651 273 V HN 0.455 nan 8.190 nan 0.000 0.449 274 T N -0.210 114.250 114.554 -0.157 0.000 2.685 274 T HA -0.322 4.028 4.350 -0.000 0.000 0.268 274 T C 1.859 176.520 174.700 -0.064 0.000 1.034 274 T CA 2.124 64.176 62.100 -0.080 0.000 1.149 274 T CB -0.313 68.558 68.868 0.006 0.000 0.860 274 T HN 0.659 nan 8.240 nan 0.000 0.449 275 E N -0.444 119.754 120.200 -0.003 0.000 2.110 275 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 275 E C 1.992 178.624 176.600 0.052 0.000 0.988 275 E CA 0.924 57.364 56.400 0.066 0.000 0.804 275 E CB -0.194 29.610 29.700 0.174 0.000 0.745 275 E HN 0.629 nan 8.360 nan 0.000 0.458 276 Y N 0.568 120.749 120.300 -0.198 0.000 2.163 276 Y HA -0.055 4.495 4.550 -0.000 0.000 0.288 276 Y C 2.030 177.761 175.900 -0.281 0.000 1.136 276 Y CA 1.409 59.329 58.100 -0.300 0.000 1.147 276 Y CB -0.731 37.427 38.460 -0.502 0.000 0.987 276 Y HN 0.108 nan 8.280 nan 0.000 0.509 277 A N 0.410 123.019 122.820 -0.351 0.000 1.978 277 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 277 A C 2.216 179.628 177.584 -0.287 0.000 1.170 277 A CA 2.010 53.828 52.037 -0.365 0.000 0.636 277 A CB -0.621 18.242 19.000 -0.227 0.000 0.810 277 A HN 0.500 nan 8.150 nan 0.000 0.448 278 M N -0.681 118.804 119.600 -0.191 0.000 2.081 278 M HA -0.065 4.415 4.480 -0.000 0.000 0.261 278 M C 1.717 177.943 176.300 -0.123 0.000 1.075 278 M CA 1.245 56.476 55.300 -0.116 0.000 1.133 278 M CB -1.500 31.072 32.600 -0.047 0.000 1.330 278 M HN 0.466 nan 8.290 nan 0.000 0.414 279 E N 0.229 120.363 120.200 -0.110 0.000 2.501 279 E HA -0.134 4.215 4.350 -0.000 0.000 0.203 279 E C 1.115 177.632 176.600 -0.138 0.000 1.072 279 E CA 1.349 57.725 56.400 -0.040 0.000 0.885 279 E CB -0.222 29.562 29.700 0.140 0.000 0.813 279 E HN 0.630 nan 8.360 nan 0.000 0.556 280 T N -3.768 110.608 114.554 -0.297 0.000 3.041 280 T HA 0.140 4.490 4.350 -0.000 0.000 0.276 280 T C 0.327 174.902 174.700 -0.209 0.000 0.948 280 T CA -0.556 61.367 62.100 -0.296 0.000 0.885 280 T CB 0.190 68.712 68.868 -0.576 0.000 1.175 280 T HN -0.027 nan 8.240 nan 0.000 0.529 281 K N 0.416 120.705 120.400 -0.184 0.000 3.257 281 K HA -0.166 4.154 4.320 -0.000 0.000 0.270 281 K C -0.107 176.410 176.600 -0.138 0.000 0.984 281 K CA 0.260 56.471 56.287 -0.127 0.000 0.739 281 K CB -2.461 29.993 32.500 -0.077 0.000 1.351 281 K HN 0.622 nan 8.250 nan 0.000 0.463 282 C N 2.490 121.674 119.300 -0.194 0.000 2.464 282 C HA 0.137 4.597 4.460 -0.000 0.000 0.370 282 C C 1.541 176.459 174.990 -0.120 0.000 1.267 282 C CA -0.116 58.799 59.018 -0.172 0.000 1.781 282 C CB -0.161 27.433 27.740 -0.244 0.000 2.431 282 C HN 0.656 nan 8.230 nan 0.000 0.556 283 D N 2.695 123.045 120.400 -0.083 0.000 2.379 283 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 283 D C 0.045 176.317 176.300 -0.046 0.000 1.065 283 D CA 0.096 54.062 54.000 -0.057 0.000 0.848 283 D CB -0.141 40.635 40.800 -0.041 0.000 0.949 283 D HN 0.577 nan 8.370 nan 0.000 0.509 284 D N 1.541 121.910 120.400 -0.052 0.000 2.347 284 D HA 0.082 4.722 4.640 -0.000 0.000 0.235 284 D C 1.613 177.888 176.300 -0.042 0.000 1.149 284 D CA -0.358 53.619 54.000 -0.038 0.000 0.850 284 D CB 2.244 43.024 40.800 -0.034 0.000 1.061 284 D HN -0.254 nan 8.370 nan 0.000 0.487 285 V N 4.940 124.836 119.914 -0.030 0.000 2.231 285 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 285 V C 2.612 178.693 176.094 -0.022 0.000 1.054 285 V CA 1.471 63.753 62.300 -0.029 0.000 1.015 285 V CB -0.570 31.244 31.823 -0.014 0.000 0.638 285 V HN 0.620 nan 8.190 nan 0.000 0.444 286 L N -0.707 120.507 121.223 -0.014 0.000 2.012 286 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 286 L C 2.501 179.361 176.870 -0.015 0.000 1.073 286 L CA 1.535 56.370 54.840 -0.009 0.000 0.748 286 L CB -0.701 41.354 42.059 -0.008 0.000 0.891 286 L HN 0.380 nan 8.230 nan 0.000 0.431 287 L N -0.197 121.011 121.223 -0.024 0.000 2.127 287 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 287 L C 2.219 179.067 176.870 -0.036 0.000 1.089 287 L CA 1.611 56.432 54.840 -0.031 0.000 0.757 287 L CB -0.461 41.575 42.059 -0.038 0.000 0.899 287 L HN 0.168 nan 8.230 nan 0.000 0.434 288 L N -1.111 120.086 121.223 -0.043 0.000 2.072 288 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 288 L C 2.232 179.094 176.870 -0.014 0.000 1.079 288 L CA 1.633 56.445 54.840 -0.048 0.000 0.752 288 L CB -0.851 41.151 42.059 -0.095 0.000 0.906 288 L HN 0.342 nan 8.230 nan 0.000 0.436 289 L N -0.008 121.220 121.223 0.008 0.000 2.187 289 L HA -0.027 4.313 4.340 -0.000 0.000 0.213 289 L C 2.181 179.082 176.870 0.052 0.000 1.100 289 L CA 1.978 56.868 54.840 0.083 0.000 0.765 289 L CB -1.242 40.865 42.059 0.079 0.000 0.904 289 L HN 0.356 nan 8.230 nan 0.000 0.437 290 G N -1.645 107.150 108.800 -0.008 0.000 2.396 290 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.214 290 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.214 290 G C 1.429 176.255 174.900 -0.124 0.000 1.166 290 G CA 0.569 45.639 45.100 -0.050 0.000 0.793 290 G HN 0.227 nan 8.290 nan 0.000 0.533 291 M N -0.383 119.150 119.600 -0.112 0.000 2.132 291 M HA 0.088 4.568 4.480 -0.000 0.000 0.263 291 M C 2.253 178.189 176.300 -0.606 0.000 1.065 291 M CA 0.661 55.825 55.300 -0.226 0.000 1.122 291 M CB -1.078 31.553 32.600 0.052 0.000 1.365 291 M HN 0.299 nan 8.290 nan 0.000 0.411 292 Y N 0.687 120.660 120.300 -0.544 0.000 2.439 292 Y HA -0.015 4.535 4.550 -0.000 0.000 0.292 292 Y C 2.111 177.736 175.900 -0.458 0.000 1.130 292 Y CA 0.941 58.630 58.100 -0.686 0.000 1.254 292 Y CB -0.306 37.833 38.460 -0.534 0.000 1.000 292 Y HN 0.098 nan 8.280 nan 0.000 0.554 293 L N -0.539 120.544 121.223 -0.234 0.000 2.217 293 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 293 L C 1.868 178.502 176.870 -0.395 0.000 1.107 293 L CA 1.139 55.860 54.840 -0.199 0.000 0.783 293 L CB -0.293 41.701 42.059 -0.108 0.000 0.919 293 L HN 0.238 nan 8.230 nan 0.000 0.442 294 E N -0.279 119.629 120.200 -0.486 0.000 2.274 294 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 294 E C 1.339 177.746 176.600 -0.321 0.000 0.996 294 E CA 0.711 56.852 56.400 -0.433 0.000 0.840 294 E CB 0.070 29.503 29.700 -0.445 0.000 0.772 294 E HN 0.373 nan 8.360 nan 0.000 0.491 295 F N 1.234 120.893 119.950 -0.486 0.000 2.804 295 F HA 0.034 4.561 4.527 -0.000 0.000 0.303 295 F C 2.223 177.832 175.800 -0.318 0.000 1.154 295 F CA 0.240 57.776 58.000 -0.773 0.000 1.401 295 F CB -0.581 38.009 39.000 -0.682 0.000 1.106 295 F HN 0.059 nan 8.300 nan 0.000 0.568 296 Q N -0.449 119.276 119.800 -0.125 0.000 2.212 296 Q HA -0.093 4.247 4.340 -0.000 0.000 0.199 296 Q C 0.180 176.335 176.000 0.258 0.000 0.950 296 Q CA 0.819 56.607 55.803 -0.024 0.000 0.863 296 Q CB -0.045 28.540 28.738 -0.255 0.000 0.944 296 Q HN 0.217 nan 8.270 nan 0.000 0.465 297 Y N 1.241 121.736 120.300 0.325 0.000 2.281 297 Y HA 0.167 4.716 4.550 -0.000 0.000 0.337 297 Y C 0.688 176.787 175.900 0.331 0.000 1.304 297 Y CA -1.116 57.178 58.100 0.322 0.000 1.465 297 Y CB 0.278 38.878 38.460 0.233 0.000 1.350 297 Y HN -0.027 nan 8.280 nan 0.000 0.575 298 S N 0.805 116.694 115.700 0.315 0.000 2.558 298 S HA -0.038 4.432 4.470 -0.000 0.000 0.288 298 S C 0.880 175.275 174.600 -0.341 0.000 1.318 298 S CA -0.426 57.729 58.200 -0.074 0.000 1.056 298 S CB -0.115 63.100 63.200 0.026 0.000 0.853 298 S HN 0.550 nan 8.310 nan 0.000 0.505 299 F N 4.101 123.507 119.950 -0.906 0.000 2.118 299 F HA 0.105 4.632 4.527 -0.000 0.000 0.293 299 F C 1.860 177.407 175.800 -0.421 0.000 1.102 299 F CA 1.707 59.190 58.000 -0.863 0.000 1.247 299 F CB -0.813 37.702 39.000 -0.808 0.000 1.017 299 F HN 0.700 nan 8.300 nan 0.000 0.475 300 E N 0.064 119.964 120.200 -0.499 0.000 2.267 300 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 300 E C 1.737 178.125 176.600 -0.354 0.000 0.998 300 E CA 1.678 57.795 56.400 -0.470 0.000 0.830 300 E CB -0.439 29.151 29.700 -0.183 0.000 0.751 300 E HN 0.417 nan 8.360 nan 0.000 0.491 301 M N -0.655 118.787 119.600 -0.263 0.000 2.516 301 M HA 0.107 4.587 4.480 -0.000 0.000 0.259 301 M C 0.376 176.596 176.300 -0.134 0.000 1.146 301 M CA -0.145 55.058 55.300 -0.161 0.000 1.122 301 M CB 0.401 32.948 32.600 -0.089 0.000 1.341 301 M HN 0.072 nan 8.290 nan 0.000 0.478 302 C N 3.273 122.482 119.300 -0.151 0.000 2.255 302 C HA -0.026 4.434 4.460 -0.000 0.000 0.401 302 C C 2.111 177.100 174.990 -0.001 0.000 1.529 302 C CA -0.183 58.842 59.018 0.011 0.000 1.418 302 C CB -1.330 26.461 27.740 0.084 0.000 2.522 302 C HN 0.676 nan 8.230 nan 0.000 0.616 303 L N 3.572 124.821 121.223 0.043 0.000 2.240 303 L HA 0.127 4.467 4.340 -0.000 0.000 0.211 303 L C 2.143 179.064 176.870 0.084 0.000 1.106 303 L CA 1.160 56.016 54.840 0.026 0.000 0.793 303 L CB -0.644 41.425 42.059 0.016 0.000 0.927 303 L HN 0.600 nan 8.230 nan 0.000 0.446 304 K N -0.365 120.140 120.400 0.175 0.000 2.525 304 K HA 0.097 4.417 4.320 -0.000 0.000 0.192 304 K C 1.259 178.084 176.600 0.375 0.000 1.029 304 K CA 0.475 56.920 56.287 0.262 0.000 1.029 304 K CB -0.089 32.571 32.500 0.266 0.000 0.814 304 K HN 0.426 nan 8.250 nan 0.000 0.503 305 C N -0.580 118.859 119.300 0.231 0.000 2.341 305 C HA 0.198 4.658 4.460 -0.000 0.000 0.372 305 C C 2.193 177.155 174.990 -0.047 0.000 1.430 305 C CA -0.567 58.533 59.018 0.136 0.000 2.316 305 C CB -0.338 27.421 27.740 0.032 0.000 2.416 305 C HN 0.507 nan 8.230 nan 0.000 0.583 306 I N 1.340 121.863 120.570 -0.079 0.000 2.567 306 I HA -0.187 3.983 4.170 -0.000 0.000 0.257 306 I C 2.129 178.207 176.117 -0.065 0.000 1.184 306 I CA 1.594 62.829 61.300 -0.107 0.000 1.451 306 I CB -0.117 37.817 38.000 -0.110 0.000 1.089 306 I HN 0.253 nan 8.210 nan 0.000 0.441 307 K N 1.285 121.679 120.400 -0.010 0.000 2.284 307 K HA 0.045 4.365 4.320 -0.000 0.000 0.198 307 K C -0.199 176.421 176.600 0.035 0.000 1.048 307 K CA 0.162 56.459 56.287 0.017 0.000 0.987 307 K CB 0.348 32.876 32.500 0.047 0.000 0.800 307 K HN -0.008 nan 8.250 nan 0.000 0.486 308 K N 1.051 121.486 120.400 0.057 0.000 5.829 308 K HA -0.217 4.103 4.320 -0.000 0.000 0.459 308 K C -0.586 176.157 176.600 0.238 0.000 1.139 308 K CA 0.956 57.309 56.287 0.111 0.000 1.349 308 K CB -1.518 30.927 32.500 -0.092 0.000 1.801 308 K HN 0.476 nan 8.250 nan 0.000 0.385 309 E N 0.382 120.777 120.200 0.326 0.000 2.467 309 E HA 0.039 4.389 4.350 -0.000 0.000 0.213 309 E C -0.231 176.499 176.600 0.216 0.000 0.823 309 E CA -0.076 56.457 56.400 0.221 0.000 1.233 309 E CB 0.512 30.306 29.700 0.157 0.000 1.233 309 E HN 0.289 nan 8.360 nan 0.000 0.585 310 Q N 0.555 120.512 119.800 0.262 0.000 2.347 310 Q HA 0.235 4.575 4.340 -0.000 0.000 0.265 310 Q C -2.288 173.579 176.000 -0.221 0.000 1.024 310 Q CA -1.889 53.981 55.803 0.112 0.000 0.731 310 Q CB 1.765 30.598 28.738 0.159 0.000 1.245 310 Q HN -0.018 nan 8.270 nan 0.000 0.472 311 P HA -0.190 nan 4.420 nan 0.000 0.215 311 P C 1.242 178.343 177.300 -0.332 0.000 1.157 311 P CA 1.583 64.253 63.100 -0.717 0.000 0.868 311 P CB 0.287 31.886 31.700 -0.169 0.000 0.788 312 S N -1.968 113.754 115.700 0.038 0.000 2.462 312 S HA -0.247 4.223 4.470 -0.000 0.000 0.243 312 S C 1.871 176.820 174.600 0.581 0.000 1.003 312 S CA 1.632 60.022 58.200 0.316 0.000 0.970 312 S CB -1.215 62.085 63.200 0.166 0.000 0.762 312 S HN 0.303 nan 8.310 nan 0.000 0.510 313 H N 1.508 120.749 119.070 0.285 0.000 2.334 313 H HA 0.093 4.649 4.556 -0.000 0.000 0.315 313 H C 1.879 177.537 175.328 0.550 0.000 1.056 313 H CA 1.067 57.428 56.048 0.521 0.000 1.418 313 H CB -0.853 29.122 29.762 0.356 0.000 1.464 313 H HN 0.478 nan 8.280 nan 0.000 0.587 314 Y N 0.373 120.697 120.300 0.040 0.000 2.497 314 Y HA 0.164 4.714 4.550 -0.000 0.000 0.292 314 Y C 1.922 177.784 175.900 -0.063 0.000 1.137 314 Y CA 0.762 58.804 58.100 -0.096 0.000 1.285 314 Y CB -0.509 37.960 38.460 0.014 0.000 0.991 314 Y HN 0.125 nan 8.280 nan 0.000 0.556 315 K N -0.653 119.768 120.400 0.035 0.000 2.459 315 K HA -0.008 4.311 4.320 -0.000 0.000 0.193 315 K C -0.174 176.031 176.600 -0.658 0.000 1.030 315 K CA 0.777 56.886 56.287 -0.298 0.000 1.026 315 K CB -0.009 32.123 32.500 -0.614 0.000 0.809 315 K HN 0.520 nan 8.250 nan 0.000 0.504 316 Y N -3.185 117.092 120.300 -0.037 0.000 2.590 316 Y HA 0.111 4.661 4.550 -0.000 0.000 0.263 316 Y C 1.495 177.019 175.900 -0.627 0.000 1.069 316 Y CA -0.591 57.400 58.100 -0.181 0.000 1.242 316 Y CB -0.363 38.181 38.460 0.139 0.000 1.357 316 Y HN 0.104 nan 8.280 nan 0.000 0.556 317 H N 1.515 120.126 119.070 -0.765 0.000 2.251 317 H HA -0.223 4.333 4.556 -0.000 0.000 0.294 317 H C 2.296 177.332 175.328 -0.487 0.000 1.078 317 H CA 2.269 57.793 56.048 -0.873 0.000 1.246 317 H CB 0.166 29.761 29.762 -0.278 0.000 1.358 317 H HN 0.396 nan 8.280 nan 0.000 0.488 318 E N 0.507 120.466 120.200 -0.402 0.000 2.086 318 E HA -0.309 4.041 4.350 -0.000 0.000 0.200 318 E C 2.353 178.723 176.600 -0.384 0.000 1.012 318 E CA 1.804 57.695 56.400 -0.849 0.000 0.812 318 E CB -0.138 28.635 29.700 -1.545 0.000 0.743 318 E HN 0.430 nan 8.360 nan 0.000 0.453 319 K N -0.476 119.708 120.400 -0.359 0.000 2.009 319 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 319 K C 2.021 178.436 176.600 -0.309 0.000 1.049 319 K CA 1.728 57.818 56.287 -0.329 0.000 0.929 319 K CB -0.160 32.116 32.500 -0.373 0.000 0.714 319 K HN 0.294 nan 8.250 nan 0.000 0.440 320 H N -1.084 117.889 119.070 -0.162 0.000 2.547 320 H HA -0.062 4.494 4.556 -0.000 0.000 0.266 320 H C 1.404 176.673 175.328 -0.098 0.000 0.988 320 H CA 0.431 56.403 56.048 -0.127 0.000 1.147 320 H CB 0.069 29.735 29.762 -0.161 0.000 1.365 320 H HN 0.333 nan 8.280 nan 0.000 0.589 321 Y N 2.107 122.369 120.300 -0.064 0.000 2.193 321 Y HA -0.279 4.271 4.550 -0.000 0.000 0.285 321 Y C 2.354 178.273 175.900 0.032 0.000 1.166 321 Y CA 1.079 59.217 58.100 0.064 0.000 1.181 321 Y CB -0.424 38.124 38.460 0.146 0.000 0.976 321 Y HN 0.172 nan 8.280 nan 0.000 0.520 322 A N 0.145 122.904 122.820 -0.101 0.000 1.855 322 A HA -0.222 4.097 4.320 -0.000 0.000 0.215 322 A C 2.236 179.769 177.584 -0.085 0.000 1.191 322 A CA 1.862 53.796 52.037 -0.173 0.000 0.613 322 A CB -1.051 17.902 19.000 -0.079 0.000 0.829 322 A HN 0.538 nan 8.150 nan 0.000 0.442 323 N N -0.013 118.698 118.700 0.017 0.000 2.188 323 N HA -0.043 4.696 4.740 -0.000 0.000 0.184 323 N C 1.754 177.298 175.510 0.056 0.000 1.018 323 N CA 1.638 54.745 53.050 0.095 0.000 0.858 323 N CB -0.370 38.259 38.487 0.236 0.000 0.989 323 N HN 0.376 nan 8.380 nan 0.000 0.426 324 A N 0.713 123.467 122.820 -0.110 0.000 1.884 324 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 324 A C 2.381 179.969 177.584 0.008 0.000 1.197 324 A CA 2.427 54.344 52.037 -0.200 0.000 0.637 324 A CB -1.521 17.335 19.000 -0.240 0.000 0.827 324 A HN 0.419 nan 8.150 nan 0.000 0.450 325 A N 0.010 122.811 122.820 -0.032 0.000 1.892 325 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 325 A C 1.991 179.588 177.584 0.021 0.000 1.188 325 A CA 2.009 54.035 52.037 -0.019 0.000 0.631 325 A CB -0.669 18.274 19.000 -0.095 0.000 0.822 325 A HN 0.529 nan 8.150 nan 0.000 0.447 326 I N -1.629 118.967 120.570 0.043 0.000 2.315 326 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 326 I C 2.325 178.509 176.117 0.112 0.000 1.117 326 I CA 1.176 62.519 61.300 0.072 0.000 1.404 326 I CB -1.826 36.230 38.000 0.094 0.000 1.071 326 I HN 0.389 nan 8.210 nan 0.000 0.419 327 F N 2.642 122.593 119.950 0.002 0.000 2.102 327 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 327 F C 2.446 178.232 175.800 -0.024 0.000 1.105 327 F CA 1.449 59.454 58.000 0.008 0.000 1.239 327 F CB -0.340 38.707 39.000 0.078 0.000 0.991 327 F HN 0.043 nan 8.300 nan 0.000 0.474 328 A N -0.903 121.901 122.820 -0.027 0.000 2.277 328 A HA -0.087 4.233 4.320 -0.000 0.000 0.208 328 A C 0.768 178.267 177.584 -0.142 0.000 1.202 328 A CA 1.619 53.576 52.037 -0.135 0.000 0.762 328 A CB -0.852 18.124 19.000 -0.041 0.000 0.770 328 A HN 0.503 nan 8.150 nan 0.000 0.487 329 D N -1.735 118.587 120.400 -0.130 0.000 2.582 329 D HA 0.189 4.829 4.640 -0.000 0.000 0.246 329 D C -0.080 176.157 176.300 -0.104 0.000 1.334 329 D CA 0.061 54.007 54.000 -0.089 0.000 0.805 329 D CB 0.555 41.334 40.800 -0.034 0.000 1.087 329 D HN 0.144 nan 8.370 nan 0.000 0.499 330 S N 0.079 115.665 115.700 -0.190 0.000 2.578 330 S HA 0.238 4.708 4.470 -0.000 0.000 0.283 330 S C 0.958 175.454 174.600 -0.174 0.000 1.195 330 S CA -0.534 57.571 58.200 -0.158 0.000 1.050 330 S CB 0.863 63.949 63.200 -0.190 0.000 1.012 330 S HN -0.020 nan 8.310 nan 0.000 0.511 331 K N 2.293 122.636 120.400 -0.094 0.000 2.505 331 K HA 0.100 4.420 4.320 -0.000 0.000 0.192 331 K C 0.218 176.772 176.600 -0.077 0.000 1.025 331 K CA 0.225 56.466 56.287 -0.076 0.000 1.086 331 K CB -0.367 32.115 32.500 -0.031 0.000 0.840 331 K HN 0.695 nan 8.250 nan 0.000 0.514 332 N N -0.283 118.350 118.700 -0.111 0.000 2.604 332 N HA 0.050 4.790 4.740 -0.000 0.000 0.284 332 N C 0.159 175.561 175.510 -0.179 0.000 1.716 332 N CA -0.238 52.755 53.050 -0.096 0.000 0.859 332 N CB 0.471 38.953 38.487 -0.008 0.000 1.403 332 N HN -0.064 nan 8.380 nan 0.000 0.501 333 Q N 1.078 120.716 119.800 -0.270 0.000 2.152 333 Q HA -0.192 4.148 4.340 -0.000 0.000 0.206 333 Q C 1.815 177.776 176.000 -0.064 0.000 0.985 333 Q CA 1.630 57.241 55.803 -0.319 0.000 0.863 333 Q CB 0.016 28.442 28.738 -0.520 0.000 0.904 333 Q HN 0.451 nan 8.270 nan 0.000 0.422 334 K N 0.071 120.426 120.400 -0.075 0.000 2.002 334 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 334 K C 2.126 178.695 176.600 -0.052 0.000 1.048 334 K CA 1.789 58.054 56.287 -0.035 0.000 0.930 334 K CB -0.026 32.459 32.500 -0.025 0.000 0.714 334 K HN 0.181 nan 8.250 nan 0.000 0.438 335 T N 1.787 116.300 114.554 -0.068 0.000 2.635 335 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 335 T C 1.887 176.478 174.700 -0.182 0.000 1.040 335 T CA 1.898 63.974 62.100 -0.040 0.000 1.156 335 T CB -0.365 68.538 68.868 0.059 0.000 0.863 335 T HN 0.184 nan 8.240 nan 0.000 0.430 336 I N 0.732 120.960 120.570 -0.571 0.000 2.091 336 I HA -0.242 3.928 4.170 -0.000 0.000 0.239 336 I C 2.805 178.748 176.117 -0.290 0.000 1.061 336 I CA 1.128 61.934 61.300 -0.824 0.000 1.317 336 I CB -0.609 36.877 38.000 -0.857 0.000 1.031 336 I HN 0.327 nan 8.210 nan 0.000 0.401 337 C N 0.095 119.296 119.300 -0.165 0.000 2.410 337 C HA -0.154 4.306 4.460 -0.000 0.000 0.281 337 C C 2.866 177.812 174.990 -0.073 0.000 1.318 337 C CA 0.719 59.664 59.018 -0.121 0.000 1.776 337 C CB -1.036 26.678 27.740 -0.044 0.000 1.942 337 C HN 0.521 nan 8.230 nan 0.000 0.508 338 Q N 0.092 119.870 119.800 -0.037 0.000 2.049 338 Q HA -0.184 4.156 4.340 -0.000 0.000 0.198 338 Q C 2.210 178.232 176.000 0.037 0.000 0.971 338 Q CA 1.485 57.292 55.803 0.007 0.000 0.833 338 Q CB -0.569 28.188 28.738 0.032 0.000 0.896 338 Q HN 0.786 nan 8.270 nan 0.000 0.434 339 Q N -0.290 119.566 119.800 0.093 0.000 2.224 339 Q HA -0.075 4.265 4.340 -0.000 0.000 0.203 339 Q C 1.708 177.755 176.000 0.080 0.000 0.970 339 Q CA 1.246 57.136 55.803 0.145 0.000 0.865 339 Q CB -0.002 28.941 28.738 0.341 0.000 0.922 339 Q HN 0.318 nan 8.270 nan 0.000 0.445 340 A N -0.425 122.406 122.820 0.019 0.000 2.014 340 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 340 A C 2.007 179.560 177.584 -0.053 0.000 1.163 340 A CA 1.119 53.132 52.037 -0.040 0.000 0.652 340 A CB -0.108 18.810 19.000 -0.136 0.000 0.808 340 A HN 0.298 nan 8.150 nan 0.000 0.449 341 V N -0.142 119.746 119.914 -0.042 0.000 2.599 341 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 341 V C 1.799 177.882 176.094 -0.018 0.000 1.046 341 V CA 1.588 63.863 62.300 -0.043 0.000 1.065 341 V CB -0.495 31.303 31.823 -0.041 0.000 0.703 341 V HN 0.404 nan 8.190 nan 0.000 0.464 342 D N 0.117 120.519 120.400 0.003 0.000 2.311 342 D HA -0.130 4.510 4.640 -0.000 0.000 0.212 342 D C 2.125 178.430 176.300 0.007 0.000 0.972 342 D CA 1.516 55.524 54.000 0.012 0.000 0.887 342 D CB 0.017 40.836 40.800 0.031 0.000 0.915 342 D HN 0.387 nan 8.370 nan 0.000 0.497 343 T N -0.300 114.256 114.554 0.003 0.000 2.781 343 T HA -0.044 4.306 4.350 -0.000 0.000 0.252 343 T C 2.237 176.929 174.700 -0.013 0.000 1.039 343 T CA 0.589 62.689 62.100 -0.000 0.000 1.147 343 T CB -0.213 68.657 68.868 0.002 0.000 0.865 343 T HN -0.061 nan 8.240 nan 0.000 0.423 344 V N 2.082 121.978 119.914 -0.029 0.000 2.546 344 V HA -0.154 3.966 4.120 -0.000 0.000 0.254 344 V C 2.373 178.451 176.094 -0.026 0.000 1.076 344 V CA 1.416 63.693 62.300 -0.038 0.000 1.087 344 V CB -0.870 30.916 31.823 -0.062 0.000 0.674 344 V HN 0.413 nan 8.190 nan 0.000 0.470 345 L N -0.283 120.929 121.223 -0.019 0.000 2.095 345 L HA -0.039 4.301 4.340 -0.000 0.000 0.204 345 L C 2.758 179.624 176.870 -0.007 0.000 1.080 345 L CA 1.330 56.163 54.840 -0.012 0.000 0.759 345 L CB -0.751 41.304 42.059 -0.006 0.000 0.914 345 L HN 0.351 nan 8.230 nan 0.000 0.439 346 A N 0.134 122.952 122.820 -0.004 0.000 1.902 346 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 346 A C 2.131 179.714 177.584 -0.002 0.000 1.181 346 A CA 1.708 53.744 52.037 -0.001 0.000 0.623 346 A CB -0.389 18.613 19.000 0.002 0.000 0.818 346 A HN 0.167 nan 8.150 nan 0.000 0.443 347 K N -0.380 120.017 120.400 -0.005 0.000 2.616 347 K HA 0.001 4.321 4.320 -0.000 0.000 0.192 347 K C 1.358 177.955 176.600 -0.005 0.000 1.031 347 K CA 0.861 57.146 56.287 -0.004 0.000 1.004 347 K CB -0.009 32.487 32.500 -0.007 0.000 0.810 347 K HN 0.329 nan 8.250 nan 0.000 0.497 348 K N -1.092 119.305 120.400 -0.005 0.000 2.344 348 K HA 0.101 4.421 4.320 -0.000 0.000 0.200 348 K C 1.822 178.421 176.600 -0.001 0.000 1.132 348 K CA 0.290 56.574 56.287 -0.004 0.000 0.935 348 K CB 0.080 32.576 32.500 -0.008 0.000 1.089 348 K HN -0.015 nan 8.250 nan 0.000 0.496 349 R N 1.583 122.081 120.500 -0.003 0.000 2.096 349 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 349 R C 1.974 178.273 176.300 -0.001 0.000 1.127 349 R CA 1.213 57.312 56.100 -0.003 0.000 0.968 349 R CB -0.588 29.710 30.300 -0.003 0.000 0.861 349 R HN -0.098 nan 8.270 nan 0.000 0.440 350 V N 0.871 120.785 119.914 -0.000 0.000 2.229 350 V HA -0.221 3.898 4.120 -0.000 0.000 0.243 350 V C 1.585 177.681 176.094 0.003 0.000 1.042 350 V CA 2.316 64.616 62.300 0.001 0.000 1.000 350 V CB -0.586 31.238 31.823 0.002 0.000 0.637 350 V HN 0.326 nan 8.190 nan 0.000 0.446 351 D N 0.625 121.028 120.400 0.005 0.000 2.149 351 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 351 D C 2.149 178.457 176.300 0.013 0.000 0.990 351 D CA 1.672 55.677 54.000 0.009 0.000 0.839 351 D CB -0.269 40.536 40.800 0.009 0.000 0.948 351 D HN 0.585 nan 8.370 nan 0.000 0.460 352 S N -0.985 114.722 115.700 0.011 0.000 2.701 352 S HA 0.092 4.562 4.470 -0.000 0.000 0.220 352 S C 1.213 175.814 174.600 0.002 0.000 0.954 352 S CA -0.032 58.176 58.200 0.013 0.000 0.936 352 S CB -0.074 63.130 63.200 0.007 0.000 0.777 352 S HN 0.264 nan 8.310 nan 0.000 0.518 353 L N -0.727 120.497 121.223 0.002 0.000 3.515 353 L HA 0.370 4.710 4.340 -0.000 0.000 0.322 353 L C 1.306 178.176 176.870 0.000 0.000 1.225 353 L CA 0.122 54.961 54.840 -0.003 0.000 1.104 353 L CB 0.439 42.495 42.059 -0.005 0.000 1.506 353 L HN 0.246 nan 8.230 nan 0.000 0.624 354 Q N -0.988 118.815 119.800 0.004 0.000 2.237 354 Q HA 0.292 4.632 4.340 -0.000 0.000 0.254 354 Q C 0.131 176.136 176.000 0.008 0.000 0.771 354 Q CA -0.145 55.661 55.803 0.005 0.000 0.958 354 Q CB 1.610 30.351 28.738 0.005 0.000 1.202 354 Q HN 0.255 nan 8.270 nan 0.000 0.492 355 L N 2.097 123.327 121.223 0.012 0.000 2.439 355 L HA 0.296 4.636 4.340 -0.000 0.000 0.259 355 L C 0.682 177.564 176.870 0.020 0.000 1.129 355 L CA -0.484 54.365 54.840 0.015 0.000 0.803 355 L CB 0.924 42.992 42.059 0.016 0.000 1.161 355 L HN 0.071 nan 8.230 nan 0.000 0.462 356 T N -2.129 112.437 114.554 0.020 0.000 2.910 356 T HA 0.220 4.570 4.350 -0.000 0.000 0.293 356 T C 1.039 175.764 174.700 0.041 0.000 1.015 356 T CA -0.647 61.468 62.100 0.024 0.000 1.094 356 T CB 0.955 69.835 68.868 0.020 0.000 0.968 356 T HN 0.521 nan 8.240 nan 0.000 0.521 357 R N 0.610 121.142 120.500 0.053 0.000 2.211 357 R HA -0.126 4.214 4.340 -0.000 0.000 0.240 357 R C 2.335 178.697 176.300 0.105 0.000 1.144 357 R CA 1.448 57.621 56.100 0.122 0.000 0.992 357 R CB -0.165 30.169 30.300 0.056 0.000 0.869 357 R HN 0.853 nan 8.270 nan 0.000 0.462 358 E N 1.350 121.564 120.200 0.022 0.000 2.046 358 E HA -0.214 4.136 4.350 -0.000 0.000 0.190 358 E C 1.674 178.234 176.600 -0.066 0.000 0.982 358 E CA 1.145 57.521 56.400 -0.039 0.000 0.800 358 E CB 0.134 29.817 29.700 -0.028 0.000 0.756 358 E HN 0.420 nan 8.360 nan 0.000 0.449 359 Q N 0.004 119.786 119.800 -0.029 0.000 2.084 359 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 359 Q C 2.380 178.343 176.000 -0.061 0.000 0.978 359 Q CA 1.970 57.752 55.803 -0.034 0.000 0.844 359 Q CB -0.142 28.592 28.738 -0.007 0.000 0.898 359 Q HN 0.346 nan 8.270 nan 0.000 0.426 360 M N 0.293 119.865 119.600 -0.046 0.000 2.126 360 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 360 M C 2.200 178.352 176.300 -0.247 0.000 1.073 360 M CA 1.360 56.608 55.300 -0.087 0.000 1.103 360 M CB -0.579 32.033 32.600 0.020 0.000 1.284 360 M HN 0.246 nan 8.290 nan 0.000 0.420 361 L N 0.088 121.077 121.223 -0.390 0.000 2.103 361 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 361 L C 2.206 178.750 176.870 -0.545 0.000 1.080 361 L CA 2.040 56.515 54.840 -0.609 0.000 0.764 361 L CB -0.970 40.744 42.059 -0.575 0.000 0.890 361 L HN 0.439 nan 8.230 nan 0.000 0.435 362 T N -0.054 114.299 114.554 -0.334 0.000 2.701 362 T HA -0.118 4.232 4.350 -0.000 0.000 0.263 362 T C 1.652 176.338 174.700 -0.023 0.000 1.040 362 T CA 1.331 63.321 62.100 -0.184 0.000 1.147 362 T CB -0.116 68.699 68.868 -0.089 0.000 0.865 362 T HN 0.367 nan 8.240 nan 0.000 0.426 363 N N 1.119 119.798 118.700 -0.035 0.000 2.036 363 N HA -0.126 4.614 4.740 -0.000 0.000 0.195 363 N C 1.993 177.524 175.510 0.035 0.000 1.037 363 N CA 1.191 54.245 53.050 0.006 0.000 0.855 363 N CB -0.429 38.050 38.487 -0.014 0.000 1.033 363 N HN 0.181 nan 8.380 nan 0.000 0.423 364 R N 0.480 120.981 120.500 0.001 0.000 2.117 364 R HA -0.050 4.290 4.340 -0.000 0.000 0.243 364 R C 1.825 178.253 176.300 0.213 0.000 1.143 364 R CA 1.193 57.324 56.100 0.051 0.000 0.968 364 R CB -0.833 29.444 30.300 -0.039 0.000 0.863 364 R HN 0.134 nan 8.270 nan 0.000 0.444 365 F N 0.707 120.613 119.950 -0.072 0.000 2.234 365 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 365 F C 2.014 177.804 175.800 -0.017 0.000 1.087 365 F CA 0.809 58.789 58.000 -0.033 0.000 1.340 365 F CB -0.620 38.386 39.000 0.010 0.000 1.031 365 F HN 0.124 nan 8.300 nan 0.000 0.500 366 N N 0.487 119.299 118.700 0.186 0.000 2.062 366 N HA -0.161 4.579 4.740 -0.000 0.000 0.191 366 N C 1.436 176.989 175.510 0.071 0.000 1.042 366 N CA 1.615 54.734 53.050 0.114 0.000 0.845 366 N CB -0.540 38.002 38.487 0.091 0.000 1.024 366 N HN 0.211 nan 8.380 nan 0.000 0.424 367 D N 0.954 121.387 120.400 0.056 0.000 2.265 367 D HA -0.117 4.523 4.640 -0.000 0.000 0.208 367 D C 1.876 178.179 176.300 0.005 0.000 0.977 367 D CA 0.244 54.263 54.000 0.032 0.000 0.871 367 D CB 0.027 40.839 40.800 0.020 0.000 0.925 367 D HN 0.180 nan 8.370 nan 0.000 0.485 368 L N 0.291 121.504 121.223 -0.016 0.000 2.131 368 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 368 L C 2.313 179.113 176.870 -0.117 0.000 1.087 368 L CA 0.791 55.573 54.840 -0.096 0.000 0.767 368 L CB -0.541 41.401 42.059 -0.195 0.000 0.917 368 L HN 0.085 nan 8.230 nan 0.000 0.441 369 L N -1.056 120.126 121.223 -0.069 0.000 2.179 369 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 369 L C 2.151 179.074 176.870 0.087 0.000 1.096 369 L CA 0.493 55.306 54.840 -0.044 0.000 0.779 369 L CB -0.353 41.728 42.059 0.037 0.000 0.922 369 L HN 0.172 nan 8.230 nan 0.000 0.443 370 D N 0.343 120.791 120.400 0.080 0.000 2.092 370 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 370 D C 2.167 178.517 176.300 0.084 0.000 0.994 370 D CA 1.178 55.237 54.000 0.098 0.000 0.828 370 D CB -0.104 40.742 40.800 0.076 0.000 0.963 370 D HN 0.092 nan 8.370 nan 0.000 0.450 371 R N -0.293 120.227 120.500 0.034 0.000 2.328 371 R HA 0.035 4.375 4.340 -0.000 0.000 0.207 371 R C 1.873 178.168 176.300 -0.008 0.000 1.056 371 R CA 0.414 56.517 56.100 0.004 0.000 1.016 371 R CB 0.025 30.306 30.300 -0.031 0.000 0.872 371 R HN 0.213 nan 8.270 nan 0.000 0.471 372 M N -0.696 118.930 119.600 0.044 0.000 2.545 372 M HA -0.025 4.455 4.480 -0.000 0.000 0.264 372 M C 0.979 177.528 176.300 0.414 0.000 1.155 372 M CA 0.664 56.037 55.300 0.123 0.000 1.162 372 M CB 0.245 32.774 32.600 -0.119 0.000 1.330 372 M HN 0.044 nan 8.290 nan 0.000 0.479 373 D N 1.179 121.810 120.400 0.386 0.000 2.078 373 D HA -0.110 4.530 4.640 -0.000 0.000 0.193 373 D C 1.919 178.361 176.300 0.236 0.000 0.990 373 D CA 1.475 55.693 54.000 0.363 0.000 0.827 373 D CB -0.247 40.697 40.800 0.240 0.000 0.975 373 D HN 0.323 nan 8.370 nan 0.000 0.451 374 I N 0.726 121.392 120.570 0.160 0.000 2.142 374 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 374 I C 2.744 178.902 176.117 0.069 0.000 1.078 374 I CA 0.706 62.075 61.300 0.115 0.000 1.343 374 I CB -0.313 37.751 38.000 0.106 0.000 1.046 374 I HN -0.006 nan 8.210 nan 0.000 0.405 375 M N 0.526 120.125 119.600 -0.001 0.000 2.308 375 M HA -0.296 4.184 4.480 -0.000 0.000 0.257 375 M C 1.798 177.917 176.300 -0.302 0.000 1.070 375 M CA 2.381 57.543 55.300 -0.230 0.000 1.080 375 M CB -0.320 32.003 32.600 -0.462 0.000 1.274 375 M HN 0.123 nan 8.290 nan 0.000 0.434 376 F N -0.127 119.852 119.950 0.049 0.000 2.693 376 F HA 0.240 4.767 4.527 -0.000 0.000 0.303 376 F C 1.389 177.237 175.800 0.080 0.000 1.143 376 F CA -0.248 57.801 58.000 0.082 0.000 1.389 376 F CB -0.892 38.189 39.000 0.135 0.000 1.060 376 F HN 0.086 nan 8.300 nan 0.000 0.535 377 G N -0.491 108.416 108.800 0.179 0.000 2.563 377 G HA2 0.192 4.152 3.960 -0.000 0.000 0.283 377 G HA3 0.192 4.152 3.960 -0.000 0.000 0.283 377 G C 0.858 175.808 174.900 0.083 0.000 1.309 377 G CA -0.331 44.842 45.100 0.121 0.000 1.022 377 G HN 0.121 nan 8.290 nan 0.000 0.501 378 S N -0.963 114.771 115.700 0.056 0.000 2.406 378 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 378 S C 2.217 176.838 174.600 0.034 0.000 1.020 378 S CA 1.469 59.692 58.200 0.038 0.000 0.965 378 S CB -0.141 63.071 63.200 0.019 0.000 0.798 378 S HN 0.874 nan 8.310 nan 0.000 0.488 379 T N -0.054 114.523 114.554 0.038 0.000 3.332 379 T HA 0.536 4.886 4.350 -0.000 0.000 0.246 379 T C 0.234 174.974 174.700 0.067 0.000 0.943 379 T CA -0.094 62.031 62.100 0.041 0.000 0.922 379 T CB -0.110 68.778 68.868 0.032 0.000 1.086 379 T HN 0.255 nan 8.240 nan 0.000 0.590 380 G N -0.446 108.385 108.800 0.053 0.000 2.703 380 G HA2 0.497 4.457 3.960 -0.000 0.000 0.294 380 G HA3 0.497 4.457 3.960 -0.000 0.000 0.294 380 G C -1.369 173.545 174.900 0.022 0.000 1.451 380 G CA -0.800 44.325 45.100 0.041 0.000 0.869 380 G HN 0.153 nan 8.290 nan 0.000 0.516 381 S N -0.401 115.308 115.700 0.015 0.000 2.438 381 S HA 0.802 5.272 4.470 -0.000 0.000 0.293 381 S C 0.111 174.705 174.600 -0.010 0.000 1.141 381 S CA 0.267 58.480 58.200 0.022 0.000 1.080 381 S CB 1.159 64.382 63.200 0.039 0.000 0.978 381 S HN 1.884 nan 8.310 nan 0.000 0.479 382 A N 2.947 125.770 122.820 0.006 0.000 2.246 382 A HA 0.311 4.631 4.320 -0.000 0.000 0.302 382 A C -1.431 176.249 177.584 0.161 0.000 0.999 382 A CA -0.861 51.161 52.037 -0.025 0.000 0.998 382 A CB 0.461 19.141 19.000 -0.533 0.000 1.183 382 A HN 0.588 nan 8.150 nan 0.000 0.351 383 D N 2.755 123.355 120.400 0.333 0.000 2.402 383 D HA 0.263 4.903 4.640 -0.000 0.000 0.235 383 D C 1.191 177.886 176.300 0.658 0.000 1.226 383 D CA -0.258 53.980 54.000 0.396 0.000 0.918 383 D CB 0.496 41.460 40.800 0.274 0.000 1.043 383 D HN 0.520 nan 8.370 nan 0.000 0.506 384 I N 3.604 124.607 120.570 0.722 0.000 2.300 384 I HA -0.252 3.918 4.170 -0.000 0.000 0.252 384 I C 1.823 178.281 176.117 0.568 0.000 1.119 384 I CA 1.696 63.369 61.300 0.622 0.000 1.384 384 I CB -0.010 38.186 38.000 0.328 0.000 1.062 384 I HN 0.573 nan 8.210 nan 0.000 0.426 385 E N 0.048 120.576 120.200 0.548 0.000 2.106 385 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 385 E C 2.053 178.911 176.600 0.430 0.000 0.984 385 E CA 1.212 57.946 56.400 0.557 0.000 0.806 385 E CB -0.107 29.801 29.700 0.346 0.000 0.750 385 E HN 0.636 nan 8.360 nan 0.000 0.458 386 E N -0.352 120.117 120.200 0.448 0.000 2.051 386 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 386 E C 1.780 178.594 176.600 0.356 0.000 0.991 386 E CA 1.328 58.030 56.400 0.504 0.000 0.799 386 E CB -0.202 29.788 29.700 0.483 0.000 0.748 386 E HN 0.408 nan 8.360 nan 0.000 0.449 387 W N 0.476 121.939 121.300 0.272 0.000 2.355 387 W HA -0.161 4.499 4.660 -0.000 0.000 0.309 387 W C 2.399 178.948 176.519 0.049 0.000 1.206 387 W CA 0.656 58.105 57.345 0.173 0.000 1.284 387 W CB -0.480 29.148 29.460 0.281 0.000 1.145 387 W HN 0.116 nan 8.180 nan 0.000 0.502 388 M N 0.665 120.368 119.600 0.172 0.000 2.213 388 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 388 M C 2.051 178.361 176.300 0.016 0.000 1.062 388 M CA 1.943 57.167 55.300 -0.126 0.000 1.105 388 M CB -0.958 31.246 32.600 -0.659 0.000 1.385 388 M HN -0.010 nan 8.290 nan 0.000 0.417 389 A N -1.061 121.829 122.820 0.116 0.000 2.015 389 A HA 0.099 4.419 4.320 -0.000 0.000 0.219 389 A C 2.259 179.908 177.584 0.109 0.000 1.163 389 A CA 1.581 53.704 52.037 0.143 0.000 0.646 389 A CB -1.413 17.766 19.000 0.297 0.000 0.806 389 A HN 0.568 nan 8.150 nan 0.000 0.448 390 G N -0.680 108.164 108.800 0.072 0.000 2.404 390 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.213 390 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.213 390 G C 1.456 176.481 174.900 0.208 0.000 1.189 390 G CA 0.935 46.070 45.100 0.058 0.000 0.796 390 G HN 0.244 nan 8.290 nan 0.000 0.532 391 V N 1.879 121.911 119.914 0.196 0.000 2.370 391 V HA -0.248 3.872 4.120 -0.000 0.000 0.252 391 V C 3.316 179.605 176.094 0.325 0.000 1.068 391 V CA 2.197 64.644 62.300 0.245 0.000 1.061 391 V CB -0.842 31.082 31.823 0.169 0.000 0.656 391 V HN 0.477 nan 8.190 nan 0.000 0.455 392 A N -1.286 121.687 122.820 0.255 0.000 1.898 392 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 392 A C 1.925 179.617 177.584 0.180 0.000 1.181 392 A CA 1.829 53.941 52.037 0.125 0.000 0.620 392 A CB -0.840 18.024 19.000 -0.226 0.000 0.819 392 A HN 0.724 nan 8.150 nan 0.000 0.442 393 W N 0.680 122.008 121.300 0.048 0.000 2.354 393 W HA -0.174 4.486 4.660 -0.000 0.000 0.315 393 W C 1.840 178.409 176.519 0.084 0.000 1.206 393 W CA 2.008 59.380 57.345 0.044 0.000 1.290 393 W CB -0.408 29.041 29.460 -0.019 0.000 1.152 393 W HN 0.252 nan 8.180 nan 0.000 0.489 394 L N -0.617 120.747 121.223 0.236 0.000 2.012 394 L HA -0.289 4.050 4.340 -0.000 0.000 0.210 394 L C 2.382 179.249 176.870 -0.004 0.000 1.073 394 L CA 1.949 56.845 54.840 0.094 0.000 0.748 394 L CB -1.209 40.998 42.059 0.246 0.000 0.891 394 L HN 0.042 nan 8.230 nan 0.000 0.431 395 H N -1.520 117.573 119.070 0.038 0.000 2.568 395 H HA -0.088 4.468 4.556 -0.000 0.000 0.281 395 H C 1.675 176.984 175.328 -0.031 0.000 1.028 395 H CA 0.735 56.806 56.048 0.038 0.000 1.199 395 H CB 0.018 29.906 29.762 0.211 0.000 1.352 395 H HN 0.323 nan 8.280 nan 0.000 0.605 396 C N -0.748 118.477 119.300 -0.124 0.000 3.038 396 C HA 0.166 4.626 4.460 -0.000 0.000 0.279 396 C C 2.232 177.070 174.990 -0.253 0.000 1.276 396 C CA -0.459 58.451 59.018 -0.180 0.000 1.697 396 C CB -0.762 26.873 27.740 -0.175 0.000 2.032 396 C HN 0.535 nan 8.230 nan 0.000 0.636 397 L N 0.691 121.715 121.223 -0.331 0.000 2.044 397 L HA 0.291 4.631 4.340 -0.000 0.000 0.205 397 L C 0.415 177.167 176.870 -0.196 0.000 1.075 397 L CA 2.198 56.860 54.840 -0.297 0.000 0.747 397 L CB -0.165 41.741 42.059 -0.255 0.000 0.903 397 L HN 0.202 nan 8.230 nan 0.000 0.435 398 L N -0.275 120.820 121.223 -0.214 0.000 2.431 398 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 398 L C -2.315 174.412 176.870 -0.238 0.000 0.978 398 L CA -2.034 52.663 54.840 -0.239 0.000 0.822 398 L CB 1.533 43.426 42.059 -0.277 0.000 1.310 398 L HN -0.170 nan 8.230 nan 0.000 0.409 399 P HA -0.033 nan 4.420 nan 0.000 0.263 399 P C -0.565 176.624 177.300 -0.184 0.000 1.175 399 P CA 0.096 63.091 63.100 -0.175 0.000 0.761 399 P CB 0.248 31.873 31.700 -0.126 0.000 0.794 400 K N 0.906 121.186 120.400 -0.200 0.000 3.148 400 K HA -0.252 4.068 4.320 -0.000 0.000 0.267 400 K C 0.834 177.326 176.600 -0.180 0.000 0.996 400 K CA 0.159 56.355 56.287 -0.151 0.000 0.737 400 K CB -1.128 31.339 32.500 -0.055 0.000 1.308 400 K HN 0.402 nan 8.250 nan 0.000 0.470 401 M N 2.041 121.418 119.600 -0.372 0.000 2.065 401 M HA -0.201 4.279 4.480 -0.000 0.000 0.259 401 M C 1.932 178.196 176.300 -0.061 0.000 1.071 401 M CA 2.640 57.801 55.300 -0.232 0.000 1.109 401 M CB -0.283 32.126 32.600 -0.319 0.000 1.313 401 M HN 0.404 nan 8.290 nan 0.000 0.408 402 D N -1.282 119.093 120.400 -0.041 0.000 2.190 402 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 402 D C 1.537 177.873 176.300 0.061 0.000 0.992 402 D CA 1.944 55.940 54.000 -0.006 0.000 0.854 402 D CB -0.627 40.011 40.800 -0.269 0.000 0.936 402 D HN 0.476 nan 8.370 nan 0.000 0.462 403 S N -0.051 115.680 115.700 0.052 0.000 2.395 403 S HA -0.039 4.430 4.470 -0.000 0.000 0.225 403 S C 2.367 177.087 174.600 0.199 0.000 1.027 403 S CA 0.709 58.982 58.200 0.122 0.000 0.965 403 S CB -0.113 63.136 63.200 0.082 0.000 0.812 403 S HN 0.218 nan 8.310 nan 0.000 0.482 404 V N 1.936 121.949 119.914 0.164 0.000 2.332 404 V HA -0.157 3.963 4.120 -0.000 0.000 0.248 404 V C 2.312 178.588 176.094 0.303 0.000 1.055 404 V CA 1.475 63.937 62.300 0.270 0.000 1.038 404 V CB -0.993 30.942 31.823 0.186 0.000 0.651 404 V HN 0.349 nan 8.190 nan 0.000 0.450 405 V N -1.130 118.910 119.914 0.210 0.000 2.469 405 V HA -0.287 3.833 4.120 -0.000 0.000 0.251 405 V C 2.180 178.430 176.094 0.260 0.000 1.064 405 V CA 2.284 64.705 62.300 0.202 0.000 1.066 405 V CB -0.848 31.083 31.823 0.180 0.000 0.667 405 V HN 0.612 nan 8.190 nan 0.000 0.461 406 Y N 1.262 121.632 120.300 0.118 0.000 2.206 406 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 406 Y C 2.364 178.317 175.900 0.087 0.000 1.123 406 Y CA 1.457 59.594 58.100 0.062 0.000 1.142 406 Y CB -0.356 38.116 38.460 0.020 0.000 1.006 406 Y HN 0.291 nan 8.280 nan 0.000 0.518 407 D N -0.371 120.157 120.400 0.213 0.000 2.158 407 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 407 D C 1.977 178.456 176.300 0.298 0.000 0.995 407 D CA 1.472 55.626 54.000 0.256 0.000 0.846 407 D CB -0.680 40.388 40.800 0.447 0.000 0.941 407 D HN 0.408 nan 8.370 nan 0.000 0.456 408 F N 0.882 120.820 119.950 -0.021 0.000 2.128 408 F HA -0.030 4.497 4.527 -0.000 0.000 0.295 408 F C 2.140 177.731 175.800 -0.347 0.000 1.100 408 F CA 0.829 58.469 58.000 -0.599 0.000 1.260 408 F CB -0.388 38.006 39.000 -1.010 0.000 1.009 408 F HN -0.144 nan 8.300 nan 0.000 0.476 409 L N 0.366 121.439 121.223 -0.250 0.000 2.013 409 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 409 L C 2.631 179.219 176.870 -0.470 0.000 1.073 409 L CA 1.415 56.072 54.840 -0.306 0.000 0.753 409 L CB -0.702 41.263 42.059 -0.157 0.000 0.890 409 L HN 0.017 nan 8.230 nan 0.000 0.432 410 K N -0.585 119.461 120.400 -0.590 0.000 2.026 410 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 410 K C 2.246 178.542 176.600 -0.507 0.000 1.048 410 K CA 1.727 57.603 56.287 -0.684 0.000 0.929 410 K CB -1.282 30.776 32.500 -0.737 0.000 0.713 410 K HN 0.430 nan 8.250 nan 0.000 0.439 411 C N 1.202 120.328 119.300 -0.291 0.000 2.403 411 C HA -0.121 4.339 4.460 -0.000 0.000 0.279 411 C C 2.573 177.416 174.990 -0.245 0.000 1.269 411 C CA 0.807 59.762 59.018 -0.104 0.000 1.774 411 C CB -0.649 27.181 27.740 0.150 0.000 1.993 411 C HN 0.366 nan 8.230 nan 0.000 0.496 412 M N 0.164 119.466 119.600 -0.496 0.000 2.236 412 M HA 0.002 4.482 4.480 -0.000 0.000 0.266 412 M C 2.152 178.218 176.300 -0.390 0.000 1.070 412 M CA 1.238 56.215 55.300 -0.539 0.000 1.137 412 M CB -1.179 31.005 32.600 -0.693 0.000 1.378 412 M HN 0.329 nan 8.290 nan 0.000 0.426 413 V N -1.052 118.692 119.914 -0.284 0.000 2.379 413 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 413 V C 2.184 178.234 176.094 -0.074 0.000 1.044 413 V CA 1.464 63.662 62.300 -0.170 0.000 1.036 413 V CB -1.006 30.681 31.823 -0.226 0.000 0.664 413 V HN 0.344 nan 8.190 nan 0.000 0.453 414 Y N -0.151 120.070 120.300 -0.132 0.000 2.145 414 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 414 Y C 1.653 177.497 175.900 -0.093 0.000 1.145 414 Y CA 1.126 59.171 58.100 -0.092 0.000 1.148 414 Y CB -0.050 38.367 38.460 -0.071 0.000 0.981 414 Y HN 0.353 nan 8.280 nan 0.000 0.507 415 N N 0.617 119.351 118.700 0.058 0.000 2.753 415 N HA -0.173 4.567 4.740 -0.000 0.000 0.252 415 N C -1.364 174.161 175.510 0.024 0.000 1.071 415 N CA -0.439 52.603 53.050 -0.012 0.000 0.690 415 N CB -0.711 37.741 38.487 -0.059 0.000 0.906 415 N HN 0.036 nan 8.380 nan 0.000 0.552 416 I N 1.495 122.097 120.570 0.053 0.000 2.396 416 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 416 I C -1.732 174.410 176.117 0.042 0.000 1.056 416 I CA -1.722 59.597 61.300 0.032 0.000 1.365 416 I CB 0.231 38.251 38.000 0.033 0.000 1.407 416 I HN 0.080 nan 8.210 nan 0.000 0.509 417 P HA -0.088 nan 4.420 nan 0.000 0.263 417 P C 0.302 177.623 177.300 0.035 0.000 1.168 417 P CA 0.471 63.587 63.100 0.027 0.000 0.759 417 P CB 0.265 31.968 31.700 0.006 0.000 0.782 418 K N 0.434 120.858 120.400 0.040 0.000 3.274 418 K HA -0.247 4.072 4.320 -0.000 0.000 0.305 418 K C -0.208 176.429 176.600 0.062 0.000 1.225 418 K CA 1.262 57.567 56.287 0.030 0.000 0.904 418 K CB -1.109 31.394 32.500 0.006 0.000 1.227 418 K HN 0.573 nan 8.250 nan 0.000 0.453 419 K N 0.063 120.523 120.400 0.100 0.000 3.350 419 K HA 0.216 4.536 4.320 -0.000 0.000 0.167 419 K C 0.030 176.742 176.600 0.187 0.000 1.058 419 K CA -0.248 56.120 56.287 0.135 0.000 0.783 419 K CB 0.767 33.325 32.500 0.096 0.000 0.872 419 K HN 0.069 nan 8.250 nan 0.000 0.561 420 R N -0.086 120.578 120.500 0.273 0.000 2.541 420 R HA 0.192 4.532 4.340 -0.000 0.000 0.332 420 R C -0.582 175.921 176.300 0.337 0.000 0.951 420 R CA -0.187 56.073 56.100 0.267 0.000 1.136 420 R CB 0.701 31.141 30.300 0.235 0.000 1.449 420 R HN 0.068 nan 8.270 nan 0.000 0.531 421 Y N -0.790 119.725 120.300 0.357 0.000 2.485 421 Y HA 0.377 4.927 4.550 -0.000 0.000 0.345 421 Y C -0.665 175.720 175.900 0.808 0.000 0.998 421 Y CA -1.317 57.109 58.100 0.543 0.000 1.059 421 Y CB 1.269 40.023 38.460 0.490 0.000 1.234 421 Y HN -0.110 nan 8.280 nan 0.000 0.461 422 W N 4.203 125.795 121.300 0.487 0.000 2.573 422 W HA 0.519 5.179 4.660 -0.000 0.000 0.326 422 W C -0.955 175.778 176.519 0.357 0.000 1.049 422 W CA -1.113 56.510 57.345 0.463 0.000 1.220 422 W CB 1.459 31.250 29.460 0.550 0.000 1.373 422 W HN 0.160 nan 8.180 nan 0.000 0.507 423 L N 5.753 127.176 121.223 0.334 0.000 2.321 423 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 423 L C -1.153 175.901 176.870 0.307 0.000 1.050 423 L CA -0.741 54.044 54.840 -0.092 0.000 0.893 423 L CB -0.414 41.138 42.059 -0.844 0.000 1.272 423 L HN 0.177 nan 8.230 nan 0.000 0.435 424 F N 3.964 123.998 119.950 0.140 0.000 2.487 424 F HA 0.247 4.774 4.527 -0.000 0.000 0.364 424 F C 0.780 176.681 175.800 0.168 0.000 1.126 424 F CA -0.136 58.034 58.000 0.284 0.000 1.135 424 F CB 0.166 39.311 39.000 0.243 0.000 1.127 424 F HN 0.345 nan 8.300 nan 0.000 0.559 425 K N 2.013 122.617 120.400 0.339 0.000 2.270 425 K HA 0.788 5.107 4.320 -0.000 0.000 0.255 425 K C -0.155 176.583 176.600 0.230 0.000 0.936 425 K CA -0.583 55.828 56.287 0.206 0.000 0.809 425 K CB 1.800 34.363 32.500 0.106 0.000 1.131 425 K HN 0.801 nan 8.250 nan 0.000 0.427 426 G N 3.093 111.988 108.800 0.158 0.000 2.368 426 G HA2 0.268 4.228 3.960 -0.000 0.000 0.293 426 G HA3 0.268 4.228 3.960 -0.000 0.000 0.293 426 G C -3.195 171.746 174.900 0.070 0.000 1.467 426 G CA -0.903 44.276 45.100 0.130 0.000 0.804 426 G HN 0.391 nan 8.290 nan 0.000 0.535 427 P HA 0.396 nan 4.420 nan 0.000 0.297 427 P C 0.164 177.472 177.300 0.014 0.000 1.303 427 P CA -0.500 62.609 63.100 0.015 0.000 0.753 427 P CB 0.997 32.698 31.700 0.001 0.000 1.281 428 I N -0.113 120.460 120.570 0.005 0.000 2.598 428 I HA -0.049 4.121 4.170 -0.000 0.000 0.284 428 I C 0.514 176.630 176.117 -0.002 0.000 1.140 428 I CA 0.769 62.072 61.300 0.005 0.000 1.420 428 I CB -0.990 37.011 38.000 0.003 0.000 1.387 428 I HN 0.500 nan 8.210 nan 0.000 0.553 429 D N 4.724 125.121 120.400 -0.005 0.000 3.357 429 D HA -0.177 4.463 4.640 -0.000 0.000 0.238 429 D C 0.524 176.823 176.300 -0.001 0.000 1.126 429 D CA 1.020 55.017 54.000 -0.005 0.000 0.984 429 D CB -0.240 40.558 40.800 -0.004 0.000 0.925 429 D HN 0.717 nan 8.370 nan 0.000 0.414 430 S N 1.102 116.796 115.700 -0.010 0.000 2.687 430 S HA 0.548 5.018 4.470 -0.000 0.000 0.247 430 S C 1.721 176.325 174.600 0.007 0.000 1.050 430 S CA 0.503 58.711 58.200 0.014 0.000 1.063 430 S CB 1.287 64.516 63.200 0.048 0.000 1.039 430 S HN 1.425 nan 8.310 nan 0.000 0.580 431 G N 2.296 111.059 108.800 -0.063 0.000 2.278 431 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.210 431 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.210 431 G C 0.871 175.570 174.900 -0.334 0.000 1.000 431 G CA 0.182 45.241 45.100 -0.068 0.000 0.635 431 G HN 0.416 nan 8.290 nan 0.000 0.495 432 K N 0.335 120.295 120.400 -0.734 0.000 2.066 432 K HA -0.225 4.094 4.320 -0.000 0.000 0.221 432 K C 2.524 178.981 176.600 -0.240 0.000 1.056 432 K CA 2.571 58.387 56.287 -0.787 0.000 0.950 432 K CB -0.804 31.433 32.500 -0.438 0.000 0.726 432 K HN 0.465 nan 8.250 nan 0.000 0.456 433 T N 0.666 115.132 114.554 -0.147 0.000 2.708 433 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 433 T C 2.046 176.722 174.700 -0.041 0.000 1.037 433 T CA 1.989 64.046 62.100 -0.071 0.000 1.146 433 T CB -0.704 68.135 68.868 -0.048 0.000 0.865 433 T HN 0.317 nan 8.240 nan 0.000 0.435 434 T N 2.347 116.889 114.554 -0.019 0.000 2.737 434 T HA -0.084 4.266 4.350 -0.000 0.000 0.269 434 T C 1.841 176.576 174.700 0.058 0.000 1.040 434 T CA 1.037 63.156 62.100 0.030 0.000 1.142 434 T CB -0.423 68.507 68.868 0.104 0.000 0.861 434 T HN 0.121 nan 8.240 nan 0.000 0.456 435 L N 1.481 122.745 121.223 0.069 0.000 2.034 435 L HA 0.352 4.692 4.340 -0.000 0.000 0.203 435 L C 2.684 179.585 176.870 0.052 0.000 1.074 435 L CA 1.852 56.766 54.840 0.123 0.000 0.748 435 L CB -1.440 40.769 42.059 0.250 0.000 0.905 435 L HN 0.192 nan 8.230 nan 0.000 0.439 436 A N -0.159 122.669 122.820 0.012 0.000 1.997 436 A HA -0.232 4.087 4.320 -0.000 0.000 0.221 436 A C 2.397 179.893 177.584 -0.147 0.000 1.172 436 A CA 2.275 54.191 52.037 -0.203 0.000 0.645 436 A CB -1.208 17.634 19.000 -0.263 0.000 0.813 436 A HN 0.646 nan 8.150 nan 0.000 0.454 437 A N -0.591 122.186 122.820 -0.071 0.000 1.897 437 A HA 0.295 4.615 4.320 -0.000 0.000 0.215 437 A C 2.502 180.069 177.584 -0.028 0.000 1.181 437 A CA 1.740 53.749 52.037 -0.047 0.000 0.620 437 A CB -0.954 18.030 19.000 -0.027 0.000 0.821 437 A HN 1.038 nan 8.150 nan 0.000 0.443 438 A N 0.052 122.868 122.820 -0.007 0.000 1.858 438 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 438 A C 2.159 179.741 177.584 -0.004 0.000 1.190 438 A CA 1.560 53.608 52.037 0.018 0.000 0.617 438 A CB -0.721 18.313 19.000 0.055 0.000 0.827 438 A HN 0.453 nan 8.150 nan 0.000 0.443 439 L N -0.908 120.279 121.223 -0.060 0.000 2.046 439 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 439 L C 2.531 179.393 176.870 -0.014 0.000 1.077 439 L CA 1.162 55.948 54.840 -0.089 0.000 0.747 439 L CB -0.697 41.111 42.059 -0.419 0.000 0.896 439 L HN 0.504 nan 8.230 nan 0.000 0.432 440 L N 0.502 121.691 121.223 -0.056 0.000 1.951 440 L HA -0.303 4.037 4.340 -0.000 0.000 0.222 440 L C 2.564 179.445 176.870 0.018 0.000 1.078 440 L CA 2.387 57.217 54.840 -0.017 0.000 0.778 440 L CB -0.781 41.247 42.059 -0.051 0.000 0.893 440 L HN 0.382 nan 8.230 nan 0.000 0.436 441 E N -0.878 119.325 120.200 0.004 0.000 2.085 441 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 441 E C 2.257 178.862 176.600 0.007 0.000 0.994 441 E CA 1.542 57.946 56.400 0.006 0.000 0.801 441 E CB -0.369 29.335 29.700 0.007 0.000 0.743 441 E HN 0.456 nan 8.360 nan 0.000 0.453 442 L N 0.753 121.986 121.223 0.016 0.000 2.051 442 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 442 L C 2.068 178.990 176.870 0.085 0.000 1.076 442 L CA 2.031 56.880 54.840 0.015 0.000 0.758 442 L CB -0.549 41.540 42.059 0.050 0.000 0.890 442 L HN 0.404 nan 8.230 nan 0.000 0.433 443 C N -0.715 118.635 119.300 0.084 0.000 2.700 443 C HA 0.630 5.090 4.460 -0.000 0.000 0.297 443 C C 1.276 176.198 174.990 -0.113 0.000 1.293 443 C CA -0.095 58.900 59.018 -0.038 0.000 1.756 443 C CB -1.079 26.733 27.740 0.120 0.000 2.210 443 C HN 0.819 nan 8.230 nan 0.000 0.553 444 G N 0.479 109.281 108.800 0.004 0.000 2.830 444 G HA2 0.378 4.338 3.960 -0.000 0.000 0.298 444 G HA3 0.378 4.338 3.960 -0.000 0.000 0.298 444 G C -0.097 174.835 174.900 0.053 0.000 1.031 444 G CA -0.010 45.092 45.100 0.004 0.000 1.179 444 G HN 0.838 nan 8.290 nan 0.000 0.527 445 G N 0.565 109.386 108.800 0.035 0.000 3.137 445 G HA2 0.842 4.802 3.960 -0.000 0.000 0.196 445 G HA3 0.842 4.802 3.960 -0.000 0.000 0.196 445 G C -0.990 173.895 174.900 -0.024 0.000 1.135 445 G CA -0.515 44.592 45.100 0.012 0.000 0.803 445 G HN 0.507 nan 8.290 nan 0.000 0.619 446 K N -0.247 120.118 120.400 -0.059 0.000 2.498 446 K HA 0.643 4.963 4.320 -0.000 0.000 0.254 446 K C -1.058 175.497 176.600 -0.076 0.000 0.933 446 K CA -0.626 55.629 56.287 -0.054 0.000 0.806 446 K CB 2.410 34.884 32.500 -0.044 0.000 1.301 446 K HN 0.694 nan 8.250 nan 0.000 0.432 447 A N 4.263 127.058 122.820 -0.041 0.000 2.276 447 A HA 0.572 4.892 4.320 -0.000 0.000 0.300 447 A C -0.178 177.414 177.584 0.014 0.000 1.235 447 A CA -0.504 51.513 52.037 -0.034 0.000 0.867 447 A CB 0.115 19.108 19.000 -0.012 0.000 1.137 447 A HN 0.564 nan 8.150 nan 0.000 0.527 448 L N 1.889 123.137 121.223 0.042 0.000 2.334 448 L HA 0.458 4.797 4.340 -0.000 0.000 0.272 448 L C 0.009 177.033 176.870 0.258 0.000 1.020 448 L CA -0.809 54.141 54.840 0.184 0.000 0.812 448 L CB 1.829 44.080 42.059 0.321 0.000 1.264 448 L HN 0.839 nan 8.230 nan 0.000 0.439 449 N N 0.522 119.340 118.700 0.197 0.000 2.564 449 N HA 0.307 5.047 4.740 -0.000 0.000 0.248 449 N C -0.046 175.523 175.510 0.099 0.000 0.986 449 N CA -0.512 52.619 53.050 0.136 0.000 0.921 449 N CB 1.313 39.847 38.487 0.078 0.000 1.136 449 N HN 0.425 nan 8.380 nan 0.000 0.509 450 V N 0.364 120.315 119.914 0.061 0.000 3.170 450 V HA 0.323 4.443 4.120 -0.000 0.000 0.354 450 V C 0.692 176.744 176.094 -0.069 0.000 1.350 450 V CA -0.012 62.260 62.300 -0.048 0.000 1.244 450 V CB -0.689 31.011 31.823 -0.206 0.000 1.222 450 V HN 0.611 nan 8.190 nan 0.000 0.478 451 N N 0.387 119.068 118.700 -0.033 0.000 2.387 451 N HA 0.286 5.026 4.740 -0.000 0.000 0.176 451 N C 0.587 176.077 175.510 -0.034 0.000 1.022 451 N CA -0.028 52.995 53.050 -0.044 0.000 0.883 451 N CB 0.173 38.642 38.487 -0.029 0.000 1.019 451 N HN 0.414 nan 8.380 nan 0.000 0.435 452 L N 2.085 123.298 121.223 -0.017 0.000 2.464 452 L HA 0.218 4.558 4.340 -0.000 0.000 0.264 452 L C -2.035 174.822 176.870 -0.021 0.000 1.199 452 L CA -1.726 53.106 54.840 -0.013 0.000 0.818 452 L CB -0.188 41.871 42.059 -0.001 0.000 1.102 452 L HN -0.151 nan 8.230 nan 0.000 0.473 453 P HA -0.113 nan 4.420 nan 0.000 0.263 453 P C 0.308 177.597 177.300 -0.017 0.000 1.168 453 P CA 0.010 63.098 63.100 -0.020 0.000 0.759 453 P CB 0.292 31.984 31.700 -0.013 0.000 0.782 454 L N 1.598 122.804 121.223 -0.028 0.000 2.362 454 L HA -0.083 4.257 4.340 -0.000 0.000 0.219 454 L C 1.372 178.242 176.870 0.001 0.000 1.134 454 L CA 1.468 56.290 54.840 -0.030 0.000 0.807 454 L CB -1.361 40.665 42.059 -0.054 0.000 0.927 454 L HN 0.300 nan 8.230 nan 0.000 0.447 455 D N 0.778 121.181 120.400 0.006 0.000 2.403 455 D HA -0.098 4.542 4.640 -0.000 0.000 0.227 455 D C 1.377 177.706 176.300 0.047 0.000 0.995 455 D CA 0.569 54.584 54.000 0.024 0.000 0.928 455 D CB 0.150 40.958 40.800 0.012 0.000 0.887 455 D HN 0.373 nan 8.370 nan 0.000 0.529 456 R N -0.472 120.059 120.500 0.051 0.000 2.526 456 R HA 0.202 4.542 4.340 -0.000 0.000 0.346 456 R C 1.812 178.185 176.300 0.122 0.000 0.926 456 R CA -0.213 55.936 56.100 0.082 0.000 1.147 456 R CB -0.216 30.093 30.300 0.016 0.000 1.629 456 R HN 0.176 nan 8.270 nan 0.000 0.516 457 L N 1.065 122.330 121.223 0.069 0.000 1.989 457 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 457 L C 1.514 178.419 176.870 0.059 0.000 1.071 457 L CA 1.796 56.655 54.840 0.032 0.000 0.749 457 L CB -0.269 41.764 42.059 -0.044 0.000 0.890 457 L HN 0.316 nan 8.230 nan 0.000 0.431 458 N N -1.095 117.638 118.700 0.056 0.000 2.247 458 N HA -0.248 4.492 4.740 -0.000 0.000 0.189 458 N C 1.639 177.126 175.510 -0.037 0.000 1.009 458 N CA 1.242 54.296 53.050 0.007 0.000 0.872 458 N CB -0.099 38.373 38.487 -0.025 0.000 0.980 458 N HN 0.244 nan 8.380 nan 0.000 0.436 459 F N 1.073 121.018 119.950 -0.007 0.000 2.270 459 F HA 0.048 4.575 4.527 -0.000 0.000 0.295 459 F C 2.564 178.378 175.800 0.024 0.000 1.087 459 F CA 0.550 58.542 58.000 -0.013 0.000 1.365 459 F CB 0.006 38.977 39.000 -0.048 0.000 1.056 459 F HN -0.096 nan 8.300 nan 0.000 0.506 460 E N 0.625 120.956 120.200 0.219 0.000 2.110 460 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 460 E C 2.299 179.005 176.600 0.176 0.000 0.988 460 E CA 1.026 57.526 56.400 0.167 0.000 0.804 460 E CB -0.355 29.426 29.700 0.134 0.000 0.745 460 E HN 0.379 nan 8.360 nan 0.000 0.458 461 L N -0.493 120.833 121.223 0.171 0.000 2.093 461 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 461 L C 2.500 179.515 176.870 0.241 0.000 1.085 461 L CA 1.039 56.033 54.840 0.257 0.000 0.755 461 L CB -0.704 41.482 42.059 0.211 0.000 0.904 461 L HN 0.162 nan 8.230 nan 0.000 0.435 462 G N -0.039 108.837 108.800 0.126 0.000 2.499 462 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.221 462 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.221 462 G C 1.483 176.427 174.900 0.074 0.000 1.109 462 G CA 0.955 46.095 45.100 0.067 0.000 0.749 462 G HN 0.269 nan 8.290 nan 0.000 0.568 463 V N 0.851 120.822 119.914 0.095 0.000 2.867 463 V HA -0.043 4.077 4.120 -0.000 0.000 0.260 463 V C 3.000 179.111 176.094 0.029 0.000 1.099 463 V CA 1.536 63.874 62.300 0.064 0.000 1.122 463 V CB -0.534 31.334 31.823 0.075 0.000 0.708 463 V HN 0.463 nan 8.190 nan 0.000 0.490 464 A N -0.486 122.357 122.820 0.039 0.000 2.169 464 A HA 0.192 4.512 4.320 -0.000 0.000 0.212 464 A C 1.101 178.622 177.584 -0.105 0.000 1.153 464 A CA 0.015 51.997 52.037 -0.093 0.000 0.756 464 A CB -0.369 18.492 19.000 -0.231 0.000 0.813 464 A HN 0.487 nan 8.150 nan 0.000 0.471 465 I N 1.386 121.941 120.570 -0.025 0.000 2.826 465 I HA -0.107 4.063 4.170 -0.000 0.000 0.295 465 I C -0.101 175.992 176.117 -0.040 0.000 1.213 465 I CA 0.547 61.831 61.300 -0.027 0.000 1.436 465 I CB 0.028 38.026 38.000 -0.002 0.000 1.348 465 I HN 0.310 nan 8.210 nan 0.000 0.570 466 D N 3.466 123.838 120.400 -0.046 0.000 2.837 466 D HA -0.167 4.473 4.640 -0.000 0.000 0.230 466 D C -0.090 176.192 176.300 -0.030 0.000 1.152 466 D CA 0.868 54.849 54.000 -0.032 0.000 0.736 466 D CB -0.693 40.097 40.800 -0.016 0.000 1.084 466 D HN 0.438 nan 8.370 nan 0.000 0.429 467 Q N -1.232 118.528 119.800 -0.068 0.000 2.215 467 Q HA 0.435 4.775 4.340 -0.000 0.000 0.256 467 Q C 0.955 176.942 176.000 -0.022 0.000 0.972 467 Q CA -0.652 55.123 55.803 -0.046 0.000 0.889 467 Q CB 0.864 29.538 28.738 -0.107 0.000 1.281 467 Q HN 0.148 nan 8.270 nan 0.000 0.456 468 F N 1.181 121.062 119.950 -0.115 0.000 2.094 468 F HA 0.098 4.625 4.527 -0.000 0.000 0.291 468 F C 0.687 176.396 175.800 -0.150 0.000 1.109 468 F CA 0.821 58.752 58.000 -0.114 0.000 1.221 468 F CB 0.422 39.371 39.000 -0.085 0.000 1.014 468 F HN 0.494 nan 8.300 nan 0.000 0.473 469 L N -1.119 120.087 121.223 -0.027 0.000 2.277 469 L HA 0.814 5.154 4.340 -0.000 0.000 0.254 469 L C -1.608 175.153 176.870 -0.181 0.000 1.044 469 L CA -0.914 53.818 54.840 -0.180 0.000 0.842 469 L CB 2.085 44.115 42.059 -0.049 0.000 1.422 469 L HN -0.290 nan 8.230 nan 0.000 0.422 470 V N 1.002 120.762 119.914 -0.256 0.000 2.841 470 V HA 0.553 4.673 4.120 -0.000 0.000 0.310 470 V C -0.781 175.107 176.094 -0.344 0.000 1.090 470 V CA -0.479 61.633 62.300 -0.314 0.000 0.930 470 V CB 2.456 34.024 31.823 -0.426 0.000 1.014 470 V HN 0.584 nan 8.190 nan 0.000 0.425 471 V N 4.783 124.501 119.914 -0.327 0.000 2.376 471 V HA 0.480 4.600 4.120 -0.000 0.000 0.287 471 V C -0.910 175.060 176.094 -0.207 0.000 1.015 471 V CA -0.493 61.664 62.300 -0.238 0.000 0.834 471 V CB 1.358 33.089 31.823 -0.153 0.000 1.001 471 V HN 0.652 nan 8.190 nan 0.000 0.428 472 F N 3.130 123.155 119.950 0.124 0.000 2.390 472 F HA 0.441 4.968 4.527 -0.000 0.000 0.361 472 F C 1.063 176.898 175.800 0.058 0.000 1.124 472 F CA -0.445 57.624 58.000 0.115 0.000 1.149 472 F CB 0.914 40.014 39.000 0.167 0.000 1.160 472 F HN 0.555 nan 8.300 nan 0.000 0.501 473 E N 1.885 122.198 120.200 0.188 0.000 4.220 473 E HA -0.184 4.166 4.350 -0.000 0.000 0.565 473 E C 1.589 178.243 176.600 0.091 0.000 0.551 473 E CA 1.377 57.835 56.400 0.096 0.000 3.748 473 E CB -0.075 29.662 29.700 0.062 0.000 1.795 473 E HN 0.599 nan 8.360 nan 0.000 0.339 474 D N -0.611 119.826 120.400 0.063 0.000 2.178 474 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 474 D C -0.088 176.229 176.300 0.028 0.000 0.974 474 D CA 1.307 55.338 54.000 0.052 0.000 0.841 474 D CB -0.142 40.684 40.800 0.044 0.000 0.953 474 D HN 0.310 nan 8.370 nan 0.000 0.478 475 V N 0.196 120.119 119.914 0.015 0.000 5.580 475 V HA -0.292 3.828 4.120 -0.000 0.000 0.301 475 V C -0.100 175.889 176.094 -0.175 0.000 0.703 475 V CA 0.296 62.565 62.300 -0.052 0.000 1.110 475 V CB -1.739 30.070 31.823 -0.024 0.000 1.297 475 V HN 0.069 nan 8.190 nan 0.000 0.440 476 K N 4.416 124.676 120.400 -0.232 0.000 2.401 476 K HA 0.587 4.907 4.320 -0.000 0.000 0.278 476 K C 1.011 177.227 176.600 -0.641 0.000 1.018 476 K CA 0.770 56.765 56.287 -0.486 0.000 0.981 476 K CB 1.207 33.556 32.500 -0.252 0.000 0.933 476 K HN 0.983 nan 8.250 nan 0.000 0.477 477 G N 0.495 108.499 108.800 -1.327 0.000 2.940 477 G HA2 0.410 4.370 3.960 -0.000 0.000 0.164 477 G HA3 0.410 4.370 3.960 -0.000 0.000 0.164 477 G C -0.806 173.950 174.900 -0.239 0.000 1.326 477 G CA -0.216 44.493 45.100 -0.652 0.000 1.020 477 G HN 0.522 nan 8.290 nan 0.000 0.586 478 T N -3.018 111.607 114.554 0.117 0.000 2.889 478 T HA 0.527 4.877 4.350 -0.000 0.000 0.315 478 T C 0.541 175.367 174.700 0.210 0.000 1.291 478 T CA 0.914 63.121 62.100 0.180 0.000 1.028 478 T CB 1.090 69.995 68.868 0.061 0.000 1.235 478 T HN 2.160 nan 8.240 nan 0.000 0.491 479 G N 1.942 110.831 108.800 0.149 0.000 2.313 479 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.215 479 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.215 479 G C 0.984 175.908 174.900 0.039 0.000 1.023 479 G CA 0.201 45.352 45.100 0.085 0.000 0.626 479 G HN 1.495 nan 8.290 nan 0.000 0.503 480 G N 0.541 109.350 108.800 0.015 0.000 3.356 480 G HA2 0.443 4.403 3.960 -0.000 0.000 0.239 480 G HA3 0.443 4.403 3.960 -0.000 0.000 0.239 480 G C 0.778 175.613 174.900 -0.108 0.000 1.252 480 G CA 0.887 45.893 45.100 -0.157 0.000 1.611 480 G HN 0.576 nan 8.290 nan 0.000 0.580 481 E N -0.255 119.927 120.200 -0.029 0.000 2.371 481 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 481 E C 2.246 178.830 176.600 -0.026 0.000 1.012 481 E CA 0.392 56.785 56.400 -0.013 0.000 0.860 481 E CB 0.356 30.062 29.700 0.011 0.000 0.811 481 E HN 0.357 nan 8.360 nan 0.000 0.502 482 S N 0.410 116.089 115.700 -0.035 0.000 2.470 482 S HA 0.061 4.531 4.470 -0.000 0.000 0.225 482 S C 1.520 176.093 174.600 -0.045 0.000 1.006 482 S CA 0.311 58.492 58.200 -0.032 0.000 0.934 482 S CB 0.149 63.332 63.200 -0.028 0.000 0.778 482 S HN 0.165 nan 8.310 nan 0.000 0.517 483 R N 1.214 121.671 120.500 -0.072 0.000 2.317 483 R HA 0.113 4.452 4.340 -0.000 0.000 0.208 483 R C -0.656 175.598 176.300 -0.077 0.000 0.914 483 R CA 0.174 56.223 56.100 -0.085 0.000 1.060 483 R CB 0.037 30.257 30.300 -0.134 0.000 1.015 483 R HN 0.207 nan 8.270 nan 0.000 0.498 484 D N 0.961 121.326 120.400 -0.058 0.000 2.775 484 D HA -0.159 4.481 4.640 -0.000 0.000 0.235 484 D C -0.795 175.482 176.300 -0.039 0.000 1.120 484 D CA 0.915 54.893 54.000 -0.036 0.000 0.708 484 D CB -1.305 39.479 40.800 -0.026 0.000 1.084 484 D HN 0.280 nan 8.370 nan 0.000 0.434 485 L N -0.087 121.097 121.223 -0.065 0.000 2.319 485 L HA 0.406 4.746 4.340 -0.000 0.000 0.281 485 L C -2.144 174.780 176.870 0.089 0.000 1.005 485 L CA -1.841 52.972 54.840 -0.045 0.000 0.828 485 L CB 1.442 43.312 42.059 -0.314 0.000 1.227 485 L HN -0.370 nan 8.230 nan 0.000 0.415 486 P HA -0.020 nan 4.420 nan 0.000 0.262 486 P C -0.119 177.306 177.300 0.208 0.000 1.199 486 P CA 0.061 63.240 63.100 0.132 0.000 0.763 486 P CB 0.547 32.302 31.700 0.091 0.000 0.790 487 S N 2.566 118.364 115.700 0.163 0.000 2.564 487 S HA 0.624 5.094 4.470 -0.000 0.000 0.278 487 S C 0.458 175.073 174.600 0.026 0.000 1.333 487 S CA -0.077 58.207 58.200 0.141 0.000 1.048 487 S CB 0.772 64.038 63.200 0.109 0.000 0.900 487 S HN 0.509 nan 8.310 nan 0.000 0.505 488 G N 0.966 109.730 108.800 -0.059 0.000 3.022 488 G HA2 0.491 4.451 3.960 -0.000 0.000 0.284 488 G HA3 0.491 4.451 3.960 -0.000 0.000 0.284 488 G C -0.429 174.415 174.900 -0.094 0.000 1.375 488 G CA -0.598 44.456 45.100 -0.078 0.000 0.902 488 G HN 0.547 nan 8.290 nan 0.000 0.538 489 Q N -0.067 119.681 119.800 -0.087 0.000 2.220 489 Q HA 0.190 4.530 4.340 -0.000 0.000 0.205 489 Q C 1.861 177.791 176.000 -0.116 0.000 0.865 489 Q CA 0.370 56.120 55.803 -0.088 0.000 0.960 489 Q CB 0.720 29.417 28.738 -0.068 0.000 1.097 489 Q HN 0.633 nan 8.270 nan 0.000 0.493 490 G N 1.609 110.326 108.800 -0.139 0.000 2.736 490 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.214 490 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.214 490 G C 1.438 176.239 174.900 -0.166 0.000 1.327 490 G CA 0.502 45.511 45.100 -0.152 0.000 0.818 490 G HN 0.342 nan 8.290 nan 0.000 0.611 491 I N 1.187 121.661 120.570 -0.160 0.000 2.143 491 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 491 I C 2.596 178.643 176.117 -0.116 0.000 1.068 491 I CA 1.417 62.648 61.300 -0.115 0.000 1.326 491 I CB -0.333 37.617 38.000 -0.083 0.000 1.028 491 I HN 0.182 nan 8.210 nan 0.000 0.412 492 N N 0.906 119.540 118.700 -0.109 0.000 2.205 492 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 492 N C 1.505 176.937 175.510 -0.130 0.000 1.015 492 N CA 1.254 54.245 53.050 -0.098 0.000 0.862 492 N CB -0.520 37.920 38.487 -0.078 0.000 0.986 492 N HN 0.454 nan 8.380 nan 0.000 0.429 493 N N 1.055 119.658 118.700 -0.161 0.000 2.216 493 N HA 0.001 4.741 4.740 -0.000 0.000 0.183 493 N C 1.977 177.322 175.510 -0.275 0.000 1.017 493 N CA 0.350 53.277 53.050 -0.204 0.000 0.861 493 N CB -0.331 38.028 38.487 -0.214 0.000 0.986 493 N HN 0.266 nan 8.380 nan 0.000 0.428 494 L N 0.749 121.793 121.223 -0.299 0.000 2.042 494 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 494 L C 1.984 178.686 176.870 -0.280 0.000 1.076 494 L CA 1.268 55.890 54.840 -0.362 0.000 0.749 494 L CB -0.504 41.363 42.059 -0.319 0.000 0.893 494 L HN 0.078 nan 8.230 nan 0.000 0.432 495 D N 0.090 120.373 120.400 -0.196 0.000 2.228 495 D HA -0.196 4.444 4.640 -0.000 0.000 0.203 495 D C 1.840 178.050 176.300 -0.149 0.000 0.988 495 D CA 1.037 54.945 54.000 -0.153 0.000 0.864 495 D CB 0.009 40.747 40.800 -0.104 0.000 0.928 495 D HN 0.217 nan 8.370 nan 0.000 0.469 496 N N -0.471 118.126 118.700 -0.172 0.000 2.416 496 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 496 N C 0.699 176.102 175.510 -0.178 0.000 1.036 496 N CA 0.284 53.243 53.050 -0.152 0.000 0.901 496 N CB 0.191 38.585 38.487 -0.156 0.000 0.976 496 N HN 0.330 nan 8.380 nan 0.000 0.444 497 L N 1.129 122.187 121.223 -0.275 0.000 2.928 497 L HA 0.270 4.610 4.340 -0.000 0.000 0.236 497 L C 1.609 178.395 176.870 -0.140 0.000 1.290 497 L CA -0.182 54.465 54.840 -0.323 0.000 1.099 497 L CB 0.082 41.721 42.059 -0.701 0.000 1.437 497 L HN -0.072 nan 8.230 nan 0.000 0.493 498 R N 1.125 121.563 120.500 -0.103 0.000 2.103 498 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 498 R C 1.865 178.133 176.300 -0.054 0.000 1.132 498 R CA 2.206 58.244 56.100 -0.105 0.000 0.925 498 R CB -0.362 29.887 30.300 -0.084 0.000 0.842 498 R HN 0.536 nan 8.270 nan 0.000 0.430 499 D N -0.215 120.185 120.400 -0.000 0.000 2.265 499 D HA -0.209 4.430 4.640 -0.000 0.000 0.208 499 D C 1.543 177.822 176.300 -0.035 0.000 0.977 499 D CA 1.366 55.351 54.000 -0.025 0.000 0.871 499 D CB -0.543 40.227 40.800 -0.050 0.000 0.925 499 D HN 0.317 nan 8.370 nan 0.000 0.485 500 Y N 0.611 120.802 120.300 -0.181 0.000 2.220 500 Y HA 0.075 4.625 4.550 -0.000 0.000 0.291 500 Y C 2.496 178.320 175.900 -0.127 0.000 1.129 500 Y CA 0.790 58.744 58.100 -0.245 0.000 1.161 500 Y CB -0.337 37.754 38.460 -0.615 0.000 0.997 500 Y HN -0.045 nan 8.280 nan 0.000 0.522 501 L N -0.933 120.249 121.223 -0.068 0.000 2.313 501 L HA -0.119 4.221 4.340 -0.000 0.000 0.214 501 L C 1.684 178.516 176.870 -0.064 0.000 1.119 501 L CA 0.587 55.293 54.840 -0.223 0.000 0.809 501 L CB -0.394 41.351 42.059 -0.524 0.000 0.933 501 L HN 0.120 nan 8.230 nan 0.000 0.449 502 D N 0.548 120.927 120.400 -0.036 0.000 2.096 502 D HA -0.081 4.558 4.640 -0.000 0.000 0.200 502 D C 1.822 178.152 176.300 0.051 0.000 0.980 502 D CA 2.084 56.081 54.000 -0.006 0.000 0.860 502 D CB -0.227 40.558 40.800 -0.024 0.000 1.005 502 D HN 0.292 nan 8.370 nan 0.000 0.449 503 G N -1.284 107.542 108.800 0.043 0.000 2.255 503 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.196 503 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.196 503 G C 1.353 176.260 174.900 0.012 0.000 0.998 503 G CA 0.749 45.880 45.100 0.052 0.000 0.656 503 G HN 0.297 nan 8.290 nan 0.000 0.490 504 S N -0.412 115.286 115.700 -0.002 0.000 2.335 504 S HA 0.168 4.638 4.470 -0.000 0.000 0.216 504 S C 1.577 176.162 174.600 -0.024 0.000 1.032 504 S CA 1.465 59.656 58.200 -0.014 0.000 1.000 504 S CB -0.389 62.801 63.200 -0.018 0.000 0.928 504 S HN 1.514 nan 8.310 nan 0.000 0.434 505 V N 0.695 120.587 119.914 -0.036 0.000 2.904 505 V HA 0.439 4.559 4.120 -0.000 0.000 0.305 505 V C -0.280 175.775 176.094 -0.064 0.000 1.067 505 V CA -1.032 61.239 62.300 -0.049 0.000 1.044 505 V CB 0.615 32.404 31.823 -0.057 0.000 1.050 505 V HN 0.150 nan 8.190 nan 0.000 0.475 506 K N 2.304 122.666 120.400 -0.064 0.000 2.258 506 K HA 0.561 4.881 4.320 -0.000 0.000 0.284 506 K C -0.610 175.920 176.600 -0.116 0.000 1.051 506 K CA -0.489 55.754 56.287 -0.072 0.000 0.923 506 K CB 1.622 34.092 32.500 -0.050 0.000 1.046 506 K HN 0.622 nan 8.250 nan 0.000 0.474 507 V N 1.983 121.797 119.914 -0.168 0.000 3.134 507 V HA 0.148 4.267 4.120 -0.000 0.000 0.313 507 V C 0.301 176.306 176.094 -0.149 0.000 1.069 507 V CA -1.003 61.132 62.300 -0.275 0.000 1.048 507 V CB 1.032 32.484 31.823 -0.618 0.000 1.119 507 V HN 0.714 nan 8.190 nan 0.000 0.461 508 N N 2.398 121.024 118.700 -0.124 0.000 2.621 508 N HA 0.393 5.133 4.740 -0.000 0.000 0.237 508 N C -1.076 174.441 175.510 0.012 0.000 0.997 508 N CA -0.197 52.829 53.050 -0.040 0.000 0.918 508 N CB 1.376 39.846 38.487 -0.028 0.000 1.122 508 N HN 0.495 nan 8.380 nan 0.000 0.510 509 L N 1.315 122.557 121.223 0.031 0.000 2.283 509 L HA 0.239 4.579 4.340 -0.000 0.000 0.287 509 L C 1.066 177.931 176.870 -0.008 0.000 1.073 509 L CA -0.260 54.623 54.840 0.073 0.000 0.822 509 L CB 0.718 42.844 42.059 0.113 0.000 1.186 509 L HN 0.357 nan 8.230 nan 0.000 0.436 510 E N 5.227 125.389 120.200 -0.065 0.000 2.343 510 E HA 0.339 4.689 4.350 -0.000 0.000 0.269 510 E C -0.835 175.588 176.600 -0.296 0.000 1.047 510 E CA -0.566 55.722 56.400 -0.187 0.000 0.874 510 E CB 1.364 30.906 29.700 -0.263 0.000 1.033 510 E HN 0.461 nan 8.360 nan 0.000 0.409 511 K N 2.373 122.592 120.400 -0.301 0.000 2.557 511 K HA 0.095 4.415 4.320 -0.000 0.000 0.261 511 K C -1.204 175.292 176.600 -0.173 0.000 0.932 511 K CA -0.407 55.715 56.287 -0.275 0.000 0.829 511 K CB 0.857 33.302 32.500 -0.090 0.000 1.358 511 K HN 0.561 nan 8.250 nan 0.000 0.430 512 K N 4.196 124.583 120.400 -0.021 0.000 3.012 512 K HA -0.309 4.011 4.320 -0.000 0.000 0.259 512 K C -0.534 176.193 176.600 0.211 0.000 0.989 512 K CA 1.871 58.273 56.287 0.192 0.000 0.728 512 K CB -1.964 30.621 32.500 0.142 0.000 1.260 512 K HN 0.990 nan 8.250 nan 0.000 0.480 513 H N -3.485 115.663 119.070 0.129 0.000 3.906 513 H HA -0.201 4.355 4.556 -0.000 0.000 0.179 513 H C -0.032 175.308 175.328 0.020 0.000 0.941 513 H CA 1.695 57.810 56.048 0.110 0.000 1.232 513 H CB -1.014 28.860 29.762 0.187 0.000 1.037 513 H HN 0.504 nan 8.280 nan 0.000 0.362 514 L N 2.552 123.824 121.223 0.082 0.000 2.318 514 L HA 0.396 4.736 4.340 -0.000 0.000 0.277 514 L C 0.012 176.877 176.870 -0.009 0.000 1.008 514 L CA -0.581 54.285 54.840 0.043 0.000 0.846 514 L CB 1.216 43.308 42.059 0.055 0.000 1.220 514 L HN 0.071 nan 8.230 nan 0.000 0.423 515 N N 4.384 123.074 118.700 -0.018 0.000 2.438 515 N HA 0.057 4.797 4.740 -0.000 0.000 0.267 515 N C -0.071 175.430 175.510 -0.015 0.000 1.222 515 N CA 0.530 53.561 53.050 -0.031 0.000 0.930 515 N CB 0.625 39.097 38.487 -0.025 0.000 1.083 515 N HN 0.689 nan 8.380 nan 0.000 0.476 516 K N 2.522 122.912 120.400 -0.017 0.000 2.536 516 K HA 0.207 4.527 4.320 -0.000 0.000 0.203 516 K C -0.549 176.046 176.600 -0.009 0.000 1.063 516 K CA -0.286 55.996 56.287 -0.008 0.000 1.063 516 K CB 0.767 33.266 32.500 -0.002 0.000 0.843 516 K HN 0.332 nan 8.250 nan 0.000 0.521 517 R N -0.150 120.342 120.500 -0.013 0.000 2.522 517 R HA 0.233 4.573 4.340 -0.000 0.000 0.273 517 R C -1.647 174.646 176.300 -0.012 0.000 1.133 517 R CA -0.111 55.983 56.100 -0.010 0.000 0.969 517 R CB 1.709 32.006 30.300 -0.006 0.000 1.235 517 R HN -0.160 nan 8.270 nan 0.000 0.433 518 T N 4.288 118.832 114.554 -0.016 0.000 3.226 518 T HA 0.310 4.660 4.350 -0.000 0.000 0.378 518 T C -0.907 173.777 174.700 -0.027 0.000 1.380 518 T CA -0.647 61.438 62.100 -0.026 0.000 1.396 518 T CB 0.432 69.284 68.868 -0.026 0.000 1.044 518 T HN 0.575 nan 8.240 nan 0.000 0.586 519 Q N 2.227 122.011 119.800 -0.026 0.000 2.633 519 Q HA 0.689 5.029 4.340 -0.000 0.000 0.292 519 Q C -0.603 175.382 176.000 -0.026 0.000 1.089 519 Q CA -1.333 54.455 55.803 -0.025 0.000 0.811 519 Q CB 1.438 30.162 28.738 -0.023 0.000 1.472 519 Q HN 0.381 nan 8.270 nan 0.000 0.464 520 I N -0.470 120.088 120.570 -0.020 0.000 2.371 520 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 520 I C -0.320 175.827 176.117 0.050 0.000 1.028 520 I CA -0.539 60.761 61.300 0.000 0.000 1.345 520 I CB -0.534 37.463 38.000 -0.005 0.000 1.407 520 I HN 0.628 nan 8.210 nan 0.000 0.501 521 F N 8.806 128.722 119.950 -0.056 0.000 2.608 521 F HA 0.249 4.776 4.527 -0.000 0.000 0.380 521 F C -1.622 174.214 175.800 0.060 0.000 1.083 521 F CA -0.897 57.125 58.000 0.037 0.000 1.266 521 F CB 0.235 39.313 39.000 0.131 0.000 1.076 521 F HN 0.459 nan 8.300 nan 0.000 0.574 522 P HA 0.152 nan 4.420 nan 0.000 0.272 522 P C -2.779 174.478 177.300 -0.073 0.000 1.240 522 P CA -1.144 61.795 63.100 -0.268 0.000 0.791 522 P CB 0.369 31.827 31.700 -0.403 0.000 0.978 523 P HA 0.393 nan 4.420 nan 0.000 0.297 523 P C 0.120 177.087 177.300 -0.555 0.000 1.303 523 P CA 0.209 63.154 63.100 -0.258 0.000 0.753 523 P CB 0.531 32.053 31.700 -0.298 0.000 1.281 524 G N -1.695 106.545 108.800 -0.933 0.000 2.345 524 G HA2 0.303 4.263 3.960 -0.000 0.000 0.285 524 G HA3 0.303 4.263 3.960 -0.000 0.000 0.285 524 G C -1.475 173.168 174.900 -0.428 0.000 1.297 524 G CA -0.734 44.035 45.100 -0.552 0.000 0.875 524 G HN 0.417 nan 8.290 nan 0.000 0.506 525 I N -0.584 119.880 120.570 -0.176 0.000 2.924 525 I HA 0.706 4.876 4.170 -0.000 0.000 0.316 525 I C -0.298 175.893 176.117 0.123 0.000 1.014 525 I CA -1.249 59.985 61.300 -0.111 0.000 1.106 525 I CB 1.964 39.637 38.000 -0.546 0.000 1.311 525 I HN 0.260 nan 8.210 nan 0.000 0.502 526 V N 1.745 121.757 119.914 0.164 0.000 2.610 526 V HA 0.271 4.391 4.120 -0.000 0.000 0.298 526 V C -0.165 175.998 176.094 0.114 0.000 1.067 526 V CA -0.521 61.950 62.300 0.284 0.000 0.894 526 V CB 2.027 34.175 31.823 0.542 0.000 1.015 526 V HN 0.927 nan 8.190 nan 0.000 0.432 527 T N 3.511 118.122 114.554 0.094 0.000 2.945 527 T HA 0.968 5.318 4.350 -0.000 0.000 0.286 527 T C -0.500 174.260 174.700 0.099 0.000 1.025 527 T CA -0.560 61.597 62.100 0.095 0.000 1.039 527 T CB 2.008 70.901 68.868 0.041 0.000 1.068 527 T HN 0.999 nan 8.240 nan 0.000 0.497 528 M N 0.249 119.917 119.600 0.113 0.000 3.069 528 M HA 0.450 4.930 4.480 -0.000 0.000 0.274 528 M C -1.821 174.591 176.300 0.186 0.000 1.146 528 M CA -1.083 54.301 55.300 0.140 0.000 0.807 528 M CB 1.064 33.741 32.600 0.128 0.000 1.621 528 M HN 0.606 nan 8.290 nan 0.000 0.521 529 N N -0.118 118.768 118.700 0.311 0.000 2.476 529 N HA 0.270 5.010 4.740 -0.000 0.000 0.287 529 N C -0.844 174.753 175.510 0.145 0.000 1.262 529 N CA -0.939 52.230 53.050 0.198 0.000 0.980 529 N CB 0.541 39.112 38.487 0.139 0.000 1.163 529 N HN 0.574 nan 8.380 nan 0.000 0.592 530 E N 1.113 121.289 120.200 -0.040 0.000 2.574 530 E HA -0.030 4.320 4.350 -0.000 0.000 0.306 530 E C -0.955 175.560 176.600 -0.142 0.000 1.166 530 E CA 0.762 57.124 56.400 -0.063 0.000 1.263 530 E CB -0.793 28.854 29.700 -0.088 0.000 1.078 530 E HN 0.367 nan 8.360 nan 0.000 0.481 531 Y N -0.325 119.987 120.300 0.020 0.000 2.593 531 Y HA 0.151 4.701 4.550 -0.000 0.000 0.330 531 Y C 1.207 177.120 175.900 0.022 0.000 1.223 531 Y CA -0.895 57.217 58.100 0.019 0.000 1.350 531 Y CB 0.766 39.239 38.460 0.021 0.000 1.499 531 Y HN -0.025 nan 8.280 nan 0.000 0.554 532 S N 0.419 116.258 115.700 0.232 0.000 2.438 532 S HA 0.532 5.002 4.470 -0.000 0.000 0.293 532 S C -1.105 173.568 174.600 0.122 0.000 1.141 532 S CA -0.787 57.492 58.200 0.132 0.000 1.080 532 S CB 0.339 63.598 63.200 0.099 0.000 0.978 532 S HN 0.335 nan 8.310 nan 0.000 0.479 533 V N 4.975 124.957 119.914 0.113 0.000 2.318 533 V HA 0.334 4.454 4.120 -0.000 0.000 0.271 533 V C -2.165 173.993 176.094 0.107 0.000 1.030 533 V CA -1.791 60.588 62.300 0.132 0.000 0.844 533 V CB 0.177 32.102 31.823 0.169 0.000 1.015 533 V HN 0.735 nan 8.190 nan 0.000 0.460 534 P HA 0.009 nan 4.420 nan 0.000 0.265 534 P C 1.078 178.406 177.300 0.046 0.000 1.187 534 P CA 0.018 63.146 63.100 0.047 0.000 0.766 534 P CB 0.690 32.403 31.700 0.022 0.000 0.820 535 K N 2.109 122.528 120.400 0.032 0.000 2.071 535 K HA -0.280 4.040 4.320 -0.000 0.000 0.217 535 K C 1.525 178.132 176.600 0.011 0.000 1.054 535 K CA 2.701 59.003 56.287 0.026 0.000 0.937 535 K CB -0.800 31.708 32.500 0.014 0.000 0.719 535 K HN 0.626 nan 8.250 nan 0.000 0.454 536 T N -0.456 114.094 114.554 -0.007 0.000 2.881 536 T HA -0.150 4.200 4.350 -0.000 0.000 0.270 536 T C 1.850 176.514 174.700 -0.061 0.000 1.068 536 T CA 1.172 63.252 62.100 -0.032 0.000 1.131 536 T CB -0.138 68.706 68.868 -0.040 0.000 0.871 536 T HN 0.255 nan 8.240 nan 0.000 0.479 537 L N 0.636 121.833 121.223 -0.044 0.000 2.168 537 L HA 0.294 4.634 4.340 -0.000 0.000 0.203 537 L C 2.673 179.498 176.870 -0.075 0.000 1.078 537 L CA 1.419 56.201 54.840 -0.097 0.000 0.780 537 L CB -0.857 41.193 42.059 -0.016 0.000 0.939 537 L HN 0.160 nan 8.230 nan 0.000 0.451 538 Q N 0.056 119.928 119.800 0.120 0.000 2.248 538 Q HA -0.187 4.153 4.340 -0.000 0.000 0.208 538 Q C 2.017 178.114 176.000 0.162 0.000 0.984 538 Q CA 1.910 57.877 55.803 0.273 0.000 0.875 538 Q CB -0.313 28.535 28.738 0.183 0.000 0.910 538 Q HN 0.605 nan 8.270 nan 0.000 0.433 539 A N 0.147 122.983 122.820 0.026 0.000 1.930 539 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 539 A C 1.743 179.296 177.584 -0.052 0.000 1.175 539 A CA 1.188 53.225 52.037 -0.001 0.000 0.627 539 A CB -0.316 18.670 19.000 -0.023 0.000 0.815 539 A HN 0.285 nan 8.150 nan 0.000 0.443 540 R N -0.841 119.533 120.500 -0.210 0.000 2.316 540 R HA 0.062 4.402 4.340 -0.000 0.000 0.202 540 R C -0.616 175.545 176.300 -0.231 0.000 1.029 540 R CA 0.153 56.081 56.100 -0.287 0.000 1.018 540 R CB -0.794 29.210 30.300 -0.494 0.000 0.888 540 R HN 0.545 nan 8.270 nan 0.000 0.471 541 F N 0.225 120.247 119.950 0.119 0.000 2.391 541 F HA 0.112 4.639 4.527 -0.000 0.000 0.359 541 F C 1.716 177.584 175.800 0.114 0.000 1.122 541 F CA -0.845 57.264 58.000 0.181 0.000 1.120 541 F CB 1.321 40.422 39.000 0.169 0.000 1.142 541 F HN -0.374 nan 8.300 nan 0.000 0.483 542 V N 1.844 121.939 119.914 0.302 0.000 2.231 542 V HA -0.145 3.975 4.120 -0.000 0.000 0.240 542 V C 0.829 176.907 176.094 -0.026 0.000 1.039 542 V CA 1.201 63.572 62.300 0.118 0.000 0.998 542 V CB -0.350 31.539 31.823 0.111 0.000 0.639 542 V HN 0.592 nan 8.190 nan 0.000 0.451 543 K N -0.079 120.183 120.400 -0.230 0.000 2.221 543 K HA 0.491 4.811 4.320 -0.000 0.000 0.243 543 K C -0.722 175.754 176.600 -0.207 0.000 0.968 543 K CA -0.606 55.436 56.287 -0.407 0.000 0.846 543 K CB 1.634 33.529 32.500 -1.009 0.000 1.141 543 K HN 0.289 nan 8.250 nan 0.000 0.434 544 Q N 3.474 123.173 119.800 -0.169 0.000 2.275 544 Q HA 0.309 4.649 4.340 -0.000 0.000 0.266 544 Q C -1.573 174.352 176.000 -0.125 0.000 1.002 544 Q CA -0.774 54.991 55.803 -0.062 0.000 0.761 544 Q CB 1.177 29.893 28.738 -0.037 0.000 1.255 544 Q HN 0.508 nan 8.270 nan 0.000 0.446 545 I N 2.909 123.399 120.570 -0.133 0.000 2.385 545 I HA 0.226 4.396 4.170 -0.000 0.000 0.294 545 I C -0.493 175.453 176.117 -0.285 0.000 0.988 545 I CA -0.156 60.922 61.300 -0.370 0.000 1.265 545 I CB 1.394 38.927 38.000 -0.777 0.000 1.388 545 I HN 0.436 nan 8.210 nan 0.000 0.480 546 D N 6.493 126.696 120.400 -0.328 0.000 2.473 546 D HA 0.331 4.970 4.640 -0.000 0.000 0.226 546 D C -0.587 175.588 176.300 -0.208 0.000 1.089 546 D CA -0.113 53.798 54.000 -0.149 0.000 0.883 546 D CB 0.324 41.065 40.800 -0.098 0.000 1.029 546 D HN 0.044 nan 8.370 nan 0.000 0.517 547 F N 1.391 121.285 119.950 -0.093 0.000 2.382 547 F HA 0.489 5.016 4.527 -0.000 0.000 0.331 547 F C 1.301 177.060 175.800 -0.068 0.000 1.121 547 F CA -0.293 57.653 58.000 -0.090 0.000 1.183 547 F CB 0.975 39.931 39.000 -0.073 0.000 1.207 547 F HN -0.106 nan 8.300 nan 0.000 0.555 548 R N 0.696 121.258 120.500 0.103 0.000 2.739 548 R HA 0.378 4.718 4.340 -0.000 0.000 0.271 548 R C -2.872 173.417 176.300 -0.018 0.000 1.010 548 R CA -2.152 53.962 56.100 0.024 0.000 0.897 548 R CB 1.834 32.121 30.300 -0.021 0.000 1.236 548 R HN 0.240 nan 8.270 nan 0.000 0.466 549 P HA -0.018 nan 4.420 nan 0.000 0.261 549 P C -1.042 176.152 177.300 -0.176 0.000 1.203 549 P CA 0.325 63.374 63.100 -0.084 0.000 0.767 549 P CB 0.419 32.078 31.700 -0.068 0.000 0.785 550 K N 4.085 124.333 120.400 -0.253 0.000 2.296 550 K HA 0.129 4.448 4.320 -0.000 0.000 0.257 550 K C 0.549 176.800 176.600 -0.582 0.000 1.088 550 K CA -0.288 55.670 56.287 -0.549 0.000 0.980 550 K CB 0.829 32.976 32.500 -0.589 0.000 1.430 550 K HN 0.356 nan 8.250 nan 0.000 0.441 551 D N 1.392 121.480 120.400 -0.521 0.000 2.126 551 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 551 D C 1.724 177.688 176.300 -0.559 0.000 1.001 551 D CA 1.988 55.704 54.000 -0.473 0.000 0.841 551 D CB -0.019 40.606 40.800 -0.292 0.000 0.949 551 D HN 0.600 nan 8.370 nan 0.000 0.446 552 Y N 0.422 120.616 120.300 -0.176 0.000 2.274 552 Y HA -0.033 4.517 4.550 -0.000 0.000 0.290 552 Y C 2.368 178.283 175.900 0.026 0.000 1.145 552 Y CA 0.424 58.495 58.100 -0.048 0.000 1.203 552 Y CB -1.099 37.380 38.460 0.032 0.000 0.984 552 Y HN -0.062 nan 8.280 nan 0.000 0.533 553 L N 0.530 121.766 121.223 0.022 0.000 2.093 553 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 553 L C 2.769 179.822 176.870 0.305 0.000 1.085 553 L CA 1.849 56.850 54.840 0.268 0.000 0.755 553 L CB -0.482 41.632 42.059 0.091 0.000 0.904 553 L HN 0.292 nan 8.230 nan 0.000 0.435 554 K N -0.581 119.845 120.400 0.043 0.000 2.002 554 K HA -0.211 4.108 4.320 -0.000 0.000 0.209 554 K C 2.236 178.906 176.600 0.115 0.000 1.048 554 K CA 1.405 57.706 56.287 0.024 0.000 0.930 554 K CB -0.082 32.349 32.500 -0.115 0.000 0.714 554 K HN 0.271 nan 8.250 nan 0.000 0.438 555 H N 0.526 119.663 119.070 0.112 0.000 2.352 555 H HA -0.176 4.380 4.556 -0.000 0.000 0.299 555 H C 2.497 177.895 175.328 0.116 0.000 1.097 555 H CA 1.342 57.452 56.048 0.104 0.000 1.311 555 H CB -1.111 28.721 29.762 0.116 0.000 1.377 555 H HN 0.424 nan 8.280 nan 0.000 0.504 556 C N 0.911 120.391 119.300 0.300 0.000 2.413 556 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 556 C C 2.919 177.992 174.990 0.139 0.000 1.228 556 C CA 0.747 59.913 59.018 0.247 0.000 1.731 556 C CB -1.409 26.538 27.740 0.345 0.000 2.042 556 C HN 0.455 nan 8.230 nan 0.000 0.468 557 L N 0.514 121.784 121.223 0.079 0.000 2.042 557 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 557 L C 2.728 179.576 176.870 -0.038 0.000 1.076 557 L CA 2.045 56.823 54.840 -0.103 0.000 0.749 557 L CB -0.832 41.112 42.059 -0.192 0.000 0.893 557 L HN 0.475 nan 8.230 nan 0.000 0.432 558 E N -0.140 120.083 120.200 0.038 0.000 2.265 558 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 558 E C 1.921 178.553 176.600 0.053 0.000 0.996 558 E CA 0.817 57.244 56.400 0.045 0.000 0.832 558 E CB 0.050 29.801 29.700 0.084 0.000 0.756 558 E HN 0.486 nan 8.360 nan 0.000 0.491 559 R N -0.604 119.942 120.500 0.076 0.000 2.365 559 R HA 0.191 4.531 4.340 -0.000 0.000 0.223 559 R C 0.677 177.058 176.300 0.135 0.000 0.899 559 R CA 0.060 56.213 56.100 0.088 0.000 1.059 559 R CB 0.843 31.198 30.300 0.091 0.000 1.086 559 R HN -0.151 nan 8.270 nan 0.000 0.522 560 S N 1.577 117.348 115.700 0.119 0.000 2.661 560 S HA -0.003 4.467 4.470 -0.000 0.000 0.245 560 S C 1.125 175.735 174.600 0.017 0.000 1.117 560 S CA -0.330 57.992 58.200 0.203 0.000 1.091 560 S CB 0.504 63.709 63.200 0.007 0.000 0.887 560 S HN 0.294 nan 8.310 nan 0.000 0.491 561 E N 2.174 122.428 120.200 0.091 0.000 2.236 561 E HA -0.294 4.056 4.350 -0.000 0.000 0.205 561 E C 1.461 178.053 176.600 -0.014 0.000 1.028 561 E CA 1.787 58.194 56.400 0.011 0.000 0.827 561 E CB -1.104 28.626 29.700 0.050 0.000 0.735 561 E HN 0.771 nan 8.360 nan 0.000 0.470 562 F N 0.512 120.395 119.950 -0.111 0.000 2.216 562 F HA -0.015 4.512 4.527 -0.000 0.000 0.300 562 F C 2.386 178.068 175.800 -0.197 0.000 1.085 562 F CA 0.556 58.481 58.000 -0.126 0.000 1.326 562 F CB -0.611 38.333 39.000 -0.095 0.000 1.027 562 F HN -0.134 nan 8.300 nan 0.000 0.497 563 L N 0.593 121.166 121.223 -1.082 0.000 1.970 563 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 563 L C 2.733 179.242 176.870 -0.600 0.000 1.071 563 L CA 1.550 55.812 54.840 -0.964 0.000 0.751 563 L CB -0.861 40.596 42.059 -1.003 0.000 0.889 563 L HN 0.286 nan 8.230 nan 0.000 0.432 564 L N -0.605 120.326 121.223 -0.486 0.000 2.027 564 L HA -0.198 4.142 4.340 -0.000 0.000 0.206 564 L C 2.571 179.301 176.870 -0.233 0.000 1.074 564 L CA 1.208 55.843 54.840 -0.342 0.000 0.745 564 L CB -0.370 41.520 42.059 -0.281 0.000 0.898 564 L HN 0.271 nan 8.230 nan 0.000 0.433 565 E N -0.154 119.936 120.200 -0.182 0.000 2.160 565 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 565 E C 1.709 178.251 176.600 -0.097 0.000 0.991 565 E CA 1.180 57.518 56.400 -0.104 0.000 0.810 565 E CB 0.108 29.780 29.700 -0.047 0.000 0.742 565 E HN 0.326 nan 8.360 nan 0.000 0.466 566 K N -0.192 120.121 120.400 -0.145 0.000 2.358 566 K HA 0.163 4.483 4.320 -0.000 0.000 0.197 566 K C -0.538 175.956 176.600 -0.176 0.000 1.025 566 K CA -0.121 56.090 56.287 -0.127 0.000 1.104 566 K CB 0.507 32.936 32.500 -0.118 0.000 0.855 566 K HN -0.032 nan 8.250 nan 0.000 0.531 567 R N 0.467 120.836 120.500 -0.219 0.000 3.152 567 R HA -0.196 4.144 4.340 -0.000 0.000 0.252 567 R C 0.364 176.495 176.300 -0.283 0.000 0.930 567 R CA 0.169 56.149 56.100 -0.200 0.000 0.642 567 R CB -2.260 27.985 30.300 -0.091 0.000 1.205 567 R HN 0.289 nan 8.270 nan 0.000 0.452 568 I N 0.404 120.677 120.570 -0.494 0.000 2.726 568 I HA -0.102 4.068 4.170 -0.000 0.000 0.243 568 I C 2.266 178.174 176.117 -0.348 0.000 1.082 568 I CA 0.721 61.554 61.300 -0.779 0.000 1.447 568 I CB -0.062 37.233 38.000 -1.174 0.000 1.250 568 I HN 0.374 nan 8.210 nan 0.000 0.453 569 I N 0.435 120.812 120.570 -0.321 0.000 3.055 569 I HA -0.234 3.936 4.170 -0.000 0.000 0.277 569 I C 1.033 177.153 176.117 0.005 0.000 1.306 569 I CA 1.096 62.335 61.300 -0.102 0.000 1.426 569 I CB -0.754 37.081 38.000 -0.276 0.000 1.081 569 I HN 0.473 nan 8.210 nan 0.000 0.502 570 Q N 0.526 120.298 119.800 -0.048 0.000 2.139 570 Q HA 0.404 4.744 4.340 -0.000 0.000 0.301 570 Q C -0.151 175.868 176.000 0.031 0.000 0.874 570 Q CA -0.423 55.383 55.803 0.004 0.000 1.116 570 Q CB 0.379 29.097 28.738 -0.033 0.000 1.278 570 Q HN 0.274 nan 8.270 nan 0.000 0.426 571 S N -0.853 114.901 115.700 0.089 0.000 2.532 571 S HA 0.613 5.083 4.470 -0.000 0.000 0.301 571 S C 0.971 175.665 174.600 0.158 0.000 1.083 571 S CA -0.113 58.189 58.200 0.170 0.000 1.025 571 S CB 1.359 64.795 63.200 0.393 0.000 1.056 571 S HN 0.492 nan 8.310 nan 0.000 0.494 572 G N 2.588 111.443 108.800 0.091 0.000 2.586 572 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.215 572 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.215 572 G C 0.828 175.715 174.900 -0.022 0.000 1.128 572 G CA 0.586 45.698 45.100 0.020 0.000 0.774 572 G HN 0.625 nan 8.290 nan 0.000 0.543 573 I N 0.796 121.393 120.570 0.046 0.000 2.731 573 I HA 0.206 4.376 4.170 -0.000 0.000 0.260 573 I C 2.896 179.066 176.117 0.089 0.000 1.138 573 I CA 0.782 62.048 61.300 -0.058 0.000 1.461 573 I CB -0.101 37.737 38.000 -0.270 0.000 1.128 573 I HN 0.117 nan 8.210 nan 0.000 0.438 574 A N 0.230 123.258 122.820 0.348 0.000 2.024 574 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 574 A C 2.244 179.939 177.584 0.186 0.000 1.164 574 A CA 1.472 53.721 52.037 0.353 0.000 0.643 574 A CB -0.632 18.563 19.000 0.324 0.000 0.806 574 A HN 0.381 nan 8.150 nan 0.000 0.451 575 L N -1.685 119.611 121.223 0.121 0.000 2.130 575 L HA -0.008 4.332 4.340 -0.000 0.000 0.200 575 L C 2.436 179.336 176.870 0.051 0.000 1.075 575 L CA 0.760 55.658 54.840 0.096 0.000 0.768 575 L CB -0.511 41.594 42.059 0.077 0.000 0.933 575 L HN 0.447 nan 8.230 nan 0.000 0.451 576 L N 0.258 121.441 121.223 -0.066 0.000 2.081 576 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 576 L C 2.302 179.128 176.870 -0.073 0.000 1.080 576 L CA 1.729 56.469 54.840 -0.167 0.000 0.754 576 L CB -0.490 41.325 42.059 -0.406 0.000 0.893 576 L HN 0.122 nan 8.230 nan 0.000 0.433 577 L N -1.385 119.791 121.223 -0.077 0.000 1.994 577 L HA -0.282 4.058 4.340 -0.000 0.000 0.208 577 L C 2.647 179.571 176.870 0.090 0.000 1.071 577 L CA 2.080 56.878 54.840 -0.070 0.000 0.745 577 L CB -0.448 41.559 42.059 -0.086 0.000 0.892 577 L HN 0.405 nan 8.230 nan 0.000 0.431 578 M N -0.440 119.253 119.600 0.155 0.000 2.192 578 M HA -0.286 4.194 4.480 -0.000 0.000 0.259 578 M C 2.025 178.555 176.300 0.384 0.000 1.071 578 M CA 1.781 57.260 55.300 0.298 0.000 1.082 578 M CB 0.001 32.750 32.600 0.248 0.000 1.373 578 M HN 0.201 nan 8.290 nan 0.000 0.408 579 L N -0.696 120.704 121.223 0.296 0.000 2.049 579 L HA -0.152 4.188 4.340 -0.000 0.000 0.203 579 L C 2.244 179.364 176.870 0.416 0.000 1.074 579 L CA 0.565 55.637 54.840 0.387 0.000 0.749 579 L CB -0.779 41.546 42.059 0.442 0.000 0.907 579 L HN 0.281 nan 8.230 nan 0.000 0.439 580 I N -0.755 119.970 120.570 0.258 0.000 2.502 580 I HA -0.343 3.827 4.170 -0.000 0.000 0.258 580 I C 2.151 178.397 176.117 0.216 0.000 1.172 580 I CA 1.708 63.075 61.300 0.112 0.000 1.430 580 I CB -1.023 36.977 38.000 0.001 0.000 1.086 580 I HN 0.591 nan 8.210 nan 0.000 0.440 581 W N 0.459 121.760 121.300 0.001 0.000 2.560 581 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 581 W C 2.343 178.763 176.519 -0.165 0.000 1.151 581 W CA 0.691 57.954 57.345 -0.137 0.000 1.426 581 W CB -0.154 29.162 29.460 -0.240 0.000 1.135 581 W HN -0.015 nan 8.180 nan 0.000 0.522 582 Y N 1.019 121.339 120.300 0.033 0.000 2.280 582 Y HA 0.050 4.599 4.550 -0.000 0.000 0.267 582 Y C 1.261 177.150 175.900 -0.018 0.000 1.070 582 Y CA 0.780 58.833 58.100 -0.079 0.000 1.079 582 Y CB -1.347 37.108 38.460 -0.007 0.000 1.026 582 Y HN -0.439 nan 8.280 nan 0.000 0.479 583 R N 1.964 122.622 120.500 0.263 0.000 2.503 583 R HA -0.077 4.263 4.340 -0.000 0.000 0.271 583 R C -2.648 173.784 176.300 0.220 0.000 0.960 583 R CA -0.932 55.265 56.100 0.162 0.000 1.104 583 R CB -1.452 28.912 30.300 0.106 0.000 0.879 583 R HN 0.157 nan 8.270 nan 0.000 0.420 584 P HA 0.008 nan 4.420 nan 0.000 0.278 584 P C 0.895 178.349 177.300 0.255 0.000 1.238 584 P CA -0.339 62.834 63.100 0.121 0.000 0.794 584 P CB 0.564 32.294 31.700 0.049 0.000 0.955 585 V N -0.025 119.971 119.914 0.137 0.000 3.330 585 V HA -0.143 3.977 4.120 -0.000 0.000 0.273 585 V C 1.548 177.786 176.094 0.240 0.000 1.179 585 V CA 1.886 64.263 62.300 0.128 0.000 1.174 585 V CB -1.822 30.003 31.823 0.003 0.000 0.794 585 V HN 0.504 nan 8.190 nan 0.000 0.527 586 A N 0.900 123.834 122.820 0.191 0.000 1.874 586 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 586 A C 2.105 179.773 177.584 0.140 0.000 1.189 586 A CA 1.383 53.501 52.037 0.134 0.000 0.615 586 A CB -0.503 18.540 19.000 0.072 0.000 0.830 586 A HN 0.613 nan 8.150 nan 0.000 0.443 587 E N -0.985 119.263 120.200 0.079 0.000 2.267 587 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 587 E C -0.479 176.073 176.600 -0.080 0.000 0.998 587 E CA 0.273 56.618 56.400 -0.092 0.000 0.830 587 E CB -0.199 29.178 29.700 -0.537 0.000 0.751 587 E HN 0.628 nan 8.360 nan 0.000 0.491 588 F N 0.766 120.745 119.950 0.048 0.000 2.382 588 F HA 0.321 4.848 4.527 -0.000 0.000 0.331 588 F C 0.820 176.646 175.800 0.043 0.000 1.121 588 F CA -1.040 56.999 58.000 0.065 0.000 1.183 588 F CB 0.433 39.483 39.000 0.084 0.000 1.207 588 F HN -0.194 nan 8.300 nan 0.000 0.555 589 A N 1.475 124.411 122.820 0.193 0.000 2.462 589 A HA 0.201 4.521 4.320 -0.000 0.000 0.243 589 A C 0.961 178.617 177.584 0.120 0.000 1.076 589 A CA -0.475 51.627 52.037 0.108 0.000 0.773 589 A CB 0.067 19.098 19.000 0.053 0.000 1.010 589 A HN 0.891 nan 8.150 nan 0.000 0.493 590 Q N 1.742 121.594 119.800 0.087 0.000 2.515 590 Q HA -0.061 4.279 4.340 -0.000 0.000 0.212 590 Q C 0.999 177.037 176.000 0.063 0.000 0.970 590 Q CA 1.597 57.445 55.803 0.075 0.000 0.941 590 Q CB -0.334 28.439 28.738 0.058 0.000 0.998 590 Q HN 0.724 nan 8.270 nan 0.000 0.518 591 S N -0.035 115.703 115.700 0.063 0.000 2.593 591 S HA 0.161 4.631 4.470 -0.000 0.000 0.217 591 S C 0.939 175.578 174.600 0.066 0.000 0.966 591 S CA 0.124 58.356 58.200 0.054 0.000 0.914 591 S CB -0.294 62.932 63.200 0.042 0.000 0.776 591 S HN 0.656 nan 8.310 nan 0.000 0.523 592 I N -3.706 116.914 120.570 0.084 0.000 3.931 592 I HA 0.340 4.510 4.170 -0.000 0.000 0.345 592 I C 1.108 177.276 176.117 0.086 0.000 1.316 592 I CA -0.324 61.033 61.300 0.095 0.000 1.047 592 I CB -0.508 37.568 38.000 0.127 0.000 2.010 592 I HN -0.093 nan 8.210 nan 0.000 0.709 593 Q N 1.698 121.543 119.800 0.075 0.000 2.084 593 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 593 Q C 2.300 178.309 176.000 0.015 0.000 0.978 593 Q CA 2.528 58.358 55.803 0.045 0.000 0.844 593 Q CB -0.030 28.744 28.738 0.059 0.000 0.898 593 Q HN 0.833 nan 8.270 nan 0.000 0.426 594 S N 0.818 116.535 115.700 0.029 0.000 2.359 594 S HA -0.291 4.179 4.470 -0.000 0.000 0.223 594 S C 1.896 176.513 174.600 0.028 0.000 1.039 594 S CA 1.381 59.593 58.200 0.021 0.000 1.042 594 S CB -0.480 62.734 63.200 0.023 0.000 0.915 594 S HN 0.289 nan 8.310 nan 0.000 0.439 595 R N 0.722 121.258 120.500 0.060 0.000 2.096 595 R HA -0.075 4.265 4.340 -0.000 0.000 0.240 595 R C 2.272 178.675 176.300 0.172 0.000 1.139 595 R CA 1.950 58.125 56.100 0.124 0.000 0.952 595 R CB -0.499 29.896 30.300 0.158 0.000 0.854 595 R HN 0.449 nan 8.270 nan 0.000 0.436 596 I N 0.456 121.057 120.570 0.052 0.000 2.264 596 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 596 I C 2.268 178.372 176.117 -0.023 0.000 1.111 596 I CA 1.196 62.450 61.300 -0.077 0.000 1.382 596 I CB -1.001 36.748 38.000 -0.418 0.000 1.060 596 I HN 0.102 nan 8.210 nan 0.000 0.418 597 V N 0.857 120.759 119.914 -0.020 0.000 2.270 597 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 597 V C 2.349 178.446 176.094 0.005 0.000 1.043 597 V CA 1.498 63.788 62.300 -0.016 0.000 1.014 597 V CB -0.856 30.954 31.823 -0.021 0.000 0.645 597 V HN 0.370 nan 8.190 nan 0.000 0.447 598 E N -0.956 119.237 120.200 -0.011 0.000 2.233 598 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 598 E C 1.956 178.465 176.600 -0.151 0.000 1.004 598 E CA 1.940 58.283 56.400 -0.096 0.000 0.819 598 E CB -0.231 29.384 29.700 -0.142 0.000 0.738 598 E HN 0.745 nan 8.360 nan 0.000 0.478 599 W N 0.729 121.999 121.300 -0.049 0.000 2.494 599 W HA 0.039 4.699 4.660 -0.000 0.000 0.286 599 W C 2.224 178.735 176.519 -0.015 0.000 1.218 599 W CA 0.314 57.633 57.345 -0.044 0.000 1.313 599 W CB 0.212 29.630 29.460 -0.069 0.000 1.105 599 W HN -0.118 nan 8.180 nan 0.000 0.561 600 K N 0.469 120.978 120.400 0.182 0.000 2.057 600 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 600 K C 1.649 178.309 176.600 0.100 0.000 1.049 600 K CA 1.660 58.020 56.287 0.123 0.000 0.931 600 K CB -0.195 32.316 32.500 0.018 0.000 0.714 600 K HN 0.245 nan 8.250 nan 0.000 0.440 601 E N 0.324 120.550 120.200 0.044 0.000 2.047 601 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 601 E C 2.086 178.710 176.600 0.041 0.000 0.987 601 E CA 0.866 57.278 56.400 0.020 0.000 0.799 601 E CB -0.078 29.610 29.700 -0.020 0.000 0.752 601 E HN 0.104 nan 8.360 nan 0.000 0.449 602 R N 1.307 121.809 120.500 0.003 0.000 2.103 602 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 602 R C 2.037 178.409 176.300 0.120 0.000 1.142 602 R CA 1.275 57.363 56.100 -0.020 0.000 0.960 602 R CB -0.576 29.600 30.300 -0.206 0.000 0.858 602 R HN 0.092 nan 8.270 nan 0.000 0.439 603 L N 0.147 121.515 121.223 0.240 0.000 2.109 603 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 603 L C 1.989 179.167 176.870 0.513 0.000 1.086 603 L CA 2.197 57.268 54.840 0.385 0.000 0.760 603 L CB -0.647 41.675 42.059 0.438 0.000 0.910 603 L HN 0.315 nan 8.230 nan 0.000 0.437 604 D N -0.773 119.863 120.400 0.393 0.000 2.162 604 D HA -0.196 4.444 4.640 -0.000 0.000 0.203 604 D C 2.253 178.675 176.300 0.203 0.000 0.967 604 D CA 0.677 54.870 54.000 0.321 0.000 0.840 604 D CB 0.088 40.965 40.800 0.128 0.000 0.972 604 D HN 0.085 nan 8.370 nan 0.000 0.482 605 K N 0.209 120.686 120.400 0.129 0.000 2.152 605 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 605 K C 1.572 178.192 176.600 0.033 0.000 1.048 605 K CA 1.057 57.378 56.287 0.057 0.000 0.933 605 K CB 0.142 32.654 32.500 0.021 0.000 0.721 605 K HN 0.117 nan 8.250 nan 0.000 0.447 606 E N -0.736 119.505 120.200 0.068 0.000 2.276 606 E HA 0.060 4.410 4.350 -0.000 0.000 0.193 606 E C -0.233 176.149 176.600 -0.363 0.000 0.983 606 E CA 0.455 56.786 56.400 -0.115 0.000 0.861 606 E CB 0.331 30.006 29.700 -0.041 0.000 0.817 606 E HN 0.080 nan 8.360 nan 0.000 0.485 607 F N -0.688 119.330 119.950 0.114 0.000 2.603 607 F HA 0.297 4.824 4.527 -0.000 0.000 0.317 607 F C 0.224 176.148 175.800 0.206 0.000 1.066 607 F CA -1.044 57.043 58.000 0.145 0.000 0.941 607 F CB 1.744 40.806 39.000 0.102 0.000 1.291 607 F HN -0.398 nan 8.300 nan 0.000 0.472 608 S N 1.992 117.928 115.700 0.394 0.000 2.449 608 S HA 0.444 4.914 4.470 -0.000 0.000 0.310 608 S C 0.854 175.664 174.600 0.351 0.000 1.096 608 S CA -0.721 57.651 58.200 0.286 0.000 1.095 608 S CB 0.588 63.897 63.200 0.181 0.000 1.007 608 S HN 0.691 nan 8.310 nan 0.000 0.474 609 L N 3.832 125.221 121.223 0.276 0.000 2.089 609 L HA -0.088 4.252 4.340 -0.000 0.000 0.213 609 L C 2.768 179.803 176.870 0.275 0.000 1.079 609 L CA 1.514 56.511 54.840 0.262 0.000 0.758 609 L CB -0.882 41.223 42.059 0.078 0.000 0.891 609 L HN 0.750 nan 8.230 nan 0.000 0.433 610 S N -0.574 115.250 115.700 0.207 0.000 2.423 610 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 610 S C 1.901 176.628 174.600 0.211 0.000 1.014 610 S CA 0.767 59.077 58.200 0.183 0.000 0.965 610 S CB -0.002 63.278 63.200 0.132 0.000 0.785 610 S HN 0.193 nan 8.310 nan 0.000 0.495 611 V N 0.556 120.616 119.914 0.244 0.000 2.283 611 V HA -0.087 4.033 4.120 -0.000 0.000 0.243 611 V C 1.953 178.206 176.094 0.265 0.000 1.039 611 V CA 1.928 64.372 62.300 0.239 0.000 1.016 611 V CB -0.946 31.037 31.823 0.267 0.000 0.650 611 V HN 0.679 nan 8.190 nan 0.000 0.449 612 Y N 1.067 121.499 120.300 0.220 0.000 2.151 612 Y HA -0.339 4.211 4.550 -0.000 0.000 0.284 612 Y C 2.653 178.662 175.900 0.181 0.000 1.166 612 Y CA 2.183 60.387 58.100 0.173 0.000 1.163 612 Y CB -0.250 38.340 38.460 0.217 0.000 0.974 612 Y HN 0.317 nan 8.280 nan 0.000 0.511 613 Q N -0.334 119.641 119.800 0.292 0.000 2.084 613 Q HA -0.252 4.088 4.340 -0.000 0.000 0.202 613 Q C 2.207 178.307 176.000 0.167 0.000 0.978 613 Q CA 1.793 57.718 55.803 0.203 0.000 0.844 613 Q CB -0.212 28.660 28.738 0.223 0.000 0.898 613 Q HN 0.223 nan 8.270 nan 0.000 0.426 614 K N 0.750 121.263 120.400 0.189 0.000 2.097 614 K HA -0.108 4.212 4.320 -0.000 0.000 0.206 614 K C 1.795 178.476 176.600 0.136 0.000 1.049 614 K CA 1.340 57.747 56.287 0.199 0.000 0.933 614 K CB -0.067 32.503 32.500 0.116 0.000 0.717 614 K HN 0.148 nan 8.250 nan 0.000 0.442 615 M N 0.295 119.915 119.600 0.035 0.000 2.066 615 M HA -0.208 4.271 4.480 -0.000 0.000 0.259 615 M C 2.033 178.335 176.300 0.004 0.000 1.074 615 M CA 1.980 57.271 55.300 -0.015 0.000 1.114 615 M CB -0.388 32.123 32.600 -0.148 0.000 1.306 615 M HN 0.034 nan 8.290 nan 0.000 0.411 616 K N -0.435 119.904 120.400 -0.101 0.000 2.160 616 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 616 K C 1.830 178.487 176.600 0.094 0.000 1.047 616 K CA 1.321 57.592 56.287 -0.027 0.000 0.930 616 K CB -0.430 32.043 32.500 -0.046 0.000 0.720 616 K HN 0.140 nan 8.250 nan 0.000 0.450 617 F N 3.186 123.114 119.950 -0.036 0.000 2.043 617 F HA -0.275 4.252 4.527 -0.000 0.000 0.297 617 F C 1.826 177.621 175.800 -0.009 0.000 1.121 617 F CA 1.567 59.557 58.000 -0.017 0.000 1.199 617 F CB -0.545 38.457 39.000 0.004 0.000 0.968 617 F HN 0.076 nan 8.300 nan 0.000 0.478 618 N N 0.393 119.274 118.700 0.302 0.000 2.084 618 N HA -0.152 4.588 4.740 -0.000 0.000 0.190 618 N C 2.050 177.669 175.510 0.180 0.000 1.030 618 N CA 1.806 54.959 53.050 0.172 0.000 0.849 618 N CB -0.932 37.609 38.487 0.090 0.000 1.012 618 N HN 0.232 nan 8.380 nan 0.000 0.423 619 V N 1.789 121.803 119.914 0.167 0.000 2.546 619 V HA -0.226 3.894 4.120 -0.000 0.000 0.254 619 V C 2.348 178.512 176.094 0.118 0.000 1.076 619 V CA 1.840 64.251 62.300 0.185 0.000 1.087 619 V CB -0.895 31.021 31.823 0.154 0.000 0.674 619 V HN 0.342 nan 8.190 nan 0.000 0.470 620 A N -1.279 121.556 122.820 0.024 0.000 1.943 620 A HA 0.023 4.343 4.320 -0.000 0.000 0.213 620 A C 2.067 179.602 177.584 -0.082 0.000 1.181 620 A CA 0.941 52.855 52.037 -0.205 0.000 0.653 620 A CB -0.241 18.633 19.000 -0.210 0.000 0.833 620 A HN 0.383 nan 8.150 nan 0.000 0.451 621 M N -0.765 118.903 119.600 0.114 0.000 2.595 621 M HA 0.117 4.597 4.480 -0.000 0.000 0.248 621 M C 1.238 177.655 176.300 0.195 0.000 1.119 621 M CA 0.938 56.334 55.300 0.160 0.000 1.079 621 M CB -0.939 31.784 32.600 0.205 0.000 1.472 621 M HN 0.731 nan 8.290 nan 0.000 0.501 622 G N 2.430 111.371 108.800 0.235 0.000 2.326 622 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.286 622 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.286 622 G C -0.235 174.804 174.900 0.232 0.000 1.096 622 G CA -0.080 45.207 45.100 0.312 0.000 1.003 622 G HN 0.475 nan 8.290 nan 0.000 0.503 623 I N -0.466 120.213 120.570 0.183 0.000 2.865 623 I HA 0.582 4.752 4.170 -0.000 0.000 0.302 623 I C 1.110 177.308 176.117 0.134 0.000 1.140 623 I CA -0.945 60.431 61.300 0.127 0.000 1.021 623 I CB 2.060 40.106 38.000 0.077 0.000 1.233 623 I HN 0.260 nan 8.210 nan 0.000 0.427 624 G N 2.743 111.612 108.800 0.115 0.000 2.109 624 G HA2 0.203 4.163 3.960 -0.000 0.000 0.249 624 G HA3 0.203 4.163 3.960 -0.000 0.000 0.249 624 G C 0.962 175.949 174.900 0.146 0.000 1.126 624 G CA -0.307 44.877 45.100 0.140 0.000 0.923 624 G HN 0.461 nan 8.290 nan 0.000 0.439 625 V N 4.695 124.729 119.914 0.200 0.000 2.223 625 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 625 V C 1.976 178.159 176.094 0.148 0.000 1.045 625 V CA 1.316 63.729 62.300 0.188 0.000 1.004 625 V CB -1.132 30.837 31.823 0.243 0.000 0.641 625 V HN 0.594 nan 8.190 nan 0.000 0.457 626 L N 1.372 122.700 121.223 0.175 0.000 2.540 626 L HA 0.169 4.509 4.340 -0.000 0.000 0.276 626 L C 0.363 177.254 176.870 0.036 0.000 1.212 626 L CA 0.525 55.416 54.840 0.086 0.000 0.893 626 L CB -0.656 41.410 42.059 0.011 0.000 1.138 626 L HN 0.608 nan 8.230 nan 0.000 0.491 627 D N 0.000 120.413 120.400 0.022 0.000 6.856 627 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 627 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 627 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 627 D HN 0.000 nan 8.370 nan 0.000 0.683