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 3lwm_1_A DATA FIRST_RESID 295 DATA SEQUENCE EEAPWPPPEG AFVGFVLSRK EPMWADLLAL AAARGGRVHR APEPYKALRD DATA SEQUENCE LKEARGLLAK DLSVLALREG LGLPPGDDPM LLAYLLDPSN TTPEGVARRY DATA SEQUENCE GGEWTEEAGE RAALSERLFA NLWGRLEGEE RLLWLYREVE RPLSAVLAHM DATA SEQUENCE EATGVRLDVA YLRALSLEVA EEIARLEAEV FRLAGHPFNL NSRDQLERVL DATA SEQUENCE FDELGLPAIG KTEKTGKRST SAAVLEALRE AHPIVEKILQ YRELTKLKST DATA SEQUENCE YIDPLPDLIH PRTGRLHTRF NQTATATGRL SSSDPNLQNI PVRTPLGQRI DATA SEQUENCE RRAFIAEEGW LLVALDYSQI ELRVLAHLSG DENLIRVFQE GRDIHTETAS DATA SEQUENCE WMFGVPREAV DPLMRRAAKT INFGVLYGMS AHRLSQELAI PYEEAQAFIE DATA SEQUENCE RYFQSFPKVR AWIEKTLEEG RRRGYVETLF GRRRYVPDLE ARVKSVREAA DATA SEQUENCE ERMAFNMPVQ GTAADLMKLA MVKLFPRLEE MGARMLLQVH DELVLEAPKE DATA SEQUENCE RAEAVARLAK EVMEGVYPLA VPLEVEVGIG EDWLSAKE 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 295 E HA 0.000 nan 4.350 nan 0.000 0.291 295 E C 0.000 176.551 176.600 -0.082 0.000 1.382 295 E CA 0.000 56.371 56.400 -0.049 0.000 0.976 295 E CB 0.000 29.681 29.700 -0.031 0.000 0.812 296 E N 1.157 121.318 120.200 -0.065 0.000 2.105 296 E HA 0.581 4.930 4.350 -0.003 0.000 0.285 296 E C -0.995 175.551 176.600 -0.091 0.000 1.055 296 E CA 0.104 56.459 56.400 -0.074 0.000 0.843 296 E CB 1.164 30.845 29.700 -0.032 0.000 1.067 296 E HN 0.318 nan 8.360 nan 0.000 0.398 297 A N 5.400 128.110 122.820 -0.184 0.000 2.365 297 A HA 0.657 4.976 4.320 -0.003 0.000 0.318 297 A C -2.516 175.085 177.584 0.029 0.000 1.091 297 A CA -1.750 50.202 52.037 -0.142 0.000 0.763 297 A CB 1.176 20.004 19.000 -0.287 0.000 1.248 297 A HN 0.279 nan 8.150 nan 0.000 0.442 298 P HA -0.009 nan 4.420 nan 0.000 0.269 298 P C -0.192 177.324 177.300 0.360 0.000 1.215 298 P CA -0.111 63.120 63.100 0.218 0.000 0.780 298 P CB 0.436 32.222 31.700 0.143 0.000 0.898 299 W N 4.699 126.081 121.300 0.137 0.000 2.170 299 W HA 0.144 4.802 4.660 -0.003 0.000 0.336 299 W C -2.014 174.518 176.519 0.021 0.000 1.283 299 W CA -0.958 56.434 57.345 0.077 0.000 1.224 299 W CB 0.201 29.690 29.460 0.049 0.000 1.132 299 W HN 0.377 nan 8.180 nan 0.000 0.571 300 P HA 0.452 nan 4.420 nan 0.000 0.281 300 P C -2.710 173.938 177.300 -1.087 0.000 1.281 300 P CA -1.400 60.883 63.100 -1.361 0.000 0.811 300 P CB 0.996 32.131 31.700 -0.942 0.000 1.154 301 P HA 0.427 nan 4.420 nan 0.000 0.281 301 P C -2.472 174.408 177.300 -0.699 0.000 1.264 301 P CA -1.801 60.510 63.100 -1.315 0.000 0.824 301 P CB -1.097 30.027 31.700 -0.959 0.000 1.092 302 P HA 0.127 nan 4.420 nan 0.000 0.272 302 P C -0.363 176.787 177.300 -0.250 0.000 1.240 302 P CA -0.366 62.572 63.100 -0.269 0.000 0.791 302 P CB 0.131 31.739 31.700 -0.154 0.000 0.978 303 E N -0.035 120.048 120.200 -0.195 0.000 2.392 303 E HA 0.329 4.677 4.350 -0.003 0.000 0.264 303 E C 0.638 177.125 176.600 -0.189 0.000 1.024 303 E CA -0.207 56.082 56.400 -0.185 0.000 0.903 303 E CB -0.418 29.194 29.700 -0.147 0.000 0.963 303 E HN 0.728 nan 8.360 nan 0.000 0.432 304 G N 1.523 110.185 108.800 -0.229 0.000 2.157 304 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.248 304 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.248 304 G C 0.360 175.028 174.900 -0.387 0.000 0.979 304 G CA -0.074 44.844 45.100 -0.303 0.000 0.650 304 G HN 0.995 nan 8.290 nan 0.000 0.529 305 A N -0.324 122.329 122.820 -0.277 0.000 2.386 305 A HA 0.680 4.999 4.320 -0.003 0.000 0.248 305 A C 0.051 177.480 177.584 -0.258 0.000 1.082 305 A CA -0.011 51.917 52.037 -0.182 0.000 0.789 305 A CB 0.235 19.174 19.000 -0.101 0.000 1.025 305 A HN 0.651 nan 8.150 nan 0.000 0.490 306 F N 0.993 120.926 119.950 -0.028 0.000 2.410 306 F HA 0.407 4.932 4.527 -0.003 0.000 0.348 306 F C 0.644 176.485 175.800 0.070 0.000 1.106 306 F CA -0.005 57.993 58.000 -0.004 0.000 1.163 306 F CB 1.453 40.451 39.000 -0.004 0.000 1.129 306 F HN 0.349 nan 8.300 nan 0.000 0.516 307 V N 3.298 123.363 119.914 0.252 0.000 2.644 307 V HA 0.834 4.952 4.120 -0.003 0.000 0.295 307 V C -0.001 176.281 176.094 0.313 0.000 1.053 307 V CA -0.180 62.283 62.300 0.272 0.000 0.987 307 V CB 1.252 33.223 31.823 0.246 0.000 1.006 307 V HN 0.822 nan 8.190 nan 0.000 0.472 308 G N 5.485 114.455 108.800 0.284 0.000 2.591 308 G HA2 0.771 4.729 3.960 -0.003 0.000 0.306 308 G HA3 0.771 4.729 3.960 -0.003 0.000 0.306 308 G C -1.400 173.636 174.900 0.227 0.000 1.334 308 G CA -0.572 44.635 45.100 0.178 0.000 0.981 308 G HN 1.112 nan 8.290 nan 0.000 0.491 309 F N 0.002 119.973 119.950 0.035 0.000 2.654 309 F HA 0.773 5.298 4.527 -0.003 0.000 0.308 309 F C -1.310 174.481 175.800 -0.016 0.000 1.108 309 F CA -1.519 56.477 58.000 -0.007 0.000 0.957 309 F CB 1.714 40.711 39.000 -0.006 0.000 1.309 309 F HN 0.396 nan 8.300 nan 0.000 0.446 310 V N 3.684 123.652 119.914 0.091 0.000 2.495 310 V HA 0.553 4.672 4.120 -0.003 0.000 0.298 310 V C -0.280 175.887 176.094 0.123 0.000 1.031 310 V CA -0.702 61.610 62.300 0.019 0.000 0.871 310 V CB 1.588 33.384 31.823 -0.046 0.000 0.988 310 V HN 0.767 nan 8.190 nan 0.000 0.432 311 L N 3.150 124.459 121.223 0.144 0.000 2.334 311 L HA 0.449 4.787 4.340 -0.003 0.000 0.272 311 L C 1.489 178.419 176.870 0.100 0.000 1.020 311 L CA -0.436 54.493 54.840 0.149 0.000 0.812 311 L CB 2.136 44.322 42.059 0.211 0.000 1.264 311 L HN 0.780 nan 8.230 nan 0.000 0.439 312 S N 1.126 116.883 115.700 0.095 0.000 2.474 312 S HA -0.016 4.453 4.470 -0.003 0.000 0.235 312 S C 0.578 175.228 174.600 0.084 0.000 0.997 312 S CA 0.151 58.399 58.200 0.080 0.000 0.949 312 S CB -0.134 63.116 63.200 0.084 0.000 0.766 312 S HN 0.790 nan 8.310 nan 0.000 0.517 313 R N 0.019 120.584 120.500 0.108 0.000 2.716 313 R HA 0.409 4.748 4.340 -0.003 0.000 0.271 313 R C 0.114 176.493 176.300 0.130 0.000 1.028 313 R CA -0.844 55.320 56.100 0.106 0.000 0.883 313 R CB 0.653 31.014 30.300 0.101 0.000 1.250 313 R HN 0.084 nan 8.270 nan 0.000 0.465 314 K N 0.133 120.603 120.400 0.115 0.000 2.211 314 K HA -0.019 4.299 4.320 -0.003 0.000 0.203 314 K C -0.522 176.163 176.600 0.141 0.000 1.050 314 K CA 1.083 57.444 56.287 0.124 0.000 0.945 314 K CB -0.008 32.546 32.500 0.090 0.000 0.732 314 K HN 0.511 nan 8.250 nan 0.000 0.451 315 E N 2.366 122.663 120.200 0.162 0.000 2.070 315 E HA 0.091 4.439 4.350 -0.003 0.000 0.282 315 E C -2.069 174.654 176.600 0.206 0.000 1.104 315 E CA -2.160 54.365 56.400 0.209 0.000 0.876 315 E CB 1.343 31.233 29.700 0.317 0.000 1.055 315 E HN 0.055 nan 8.360 nan 0.000 0.401 316 P HA -0.213 nan 4.420 nan 0.000 0.216 316 P C 1.005 178.303 177.300 -0.002 0.000 1.150 316 P CA 1.239 64.376 63.100 0.060 0.000 0.843 316 P CB 0.175 31.884 31.700 0.015 0.000 0.787 317 M N -3.425 116.143 119.600 -0.055 0.000 2.476 317 M HA -0.059 4.419 4.480 -0.003 0.000 0.262 317 M C 1.024 177.129 176.300 -0.324 0.000 1.079 317 M CA 1.315 56.426 55.300 -0.314 0.000 1.104 317 M CB -1.194 31.093 32.600 -0.521 0.000 1.409 317 M HN 0.101 nan 8.290 nan 0.000 0.467 318 W N -0.327 121.021 121.300 0.081 0.000 3.008 318 W HA 0.440 5.098 4.660 -0.003 0.000 0.355 318 W C 0.728 177.293 176.519 0.076 0.000 1.095 318 W CA -0.346 57.057 57.345 0.098 0.000 1.738 318 W CB 0.140 29.643 29.460 0.072 0.000 1.091 318 W HN -0.045 nan 8.180 nan 0.000 0.574 319 A N 0.986 123.946 122.820 0.233 0.000 2.316 319 A HA 0.331 4.649 4.320 -0.003 0.000 0.284 319 A C -0.599 177.083 177.584 0.165 0.000 1.115 319 A CA -0.215 51.932 52.037 0.183 0.000 0.812 319 A CB 0.325 19.418 19.000 0.155 0.000 1.064 319 A HN 0.002 nan 8.150 nan 0.000 0.489 320 D N 1.246 121.742 120.400 0.161 0.000 2.264 320 D HA 0.317 4.955 4.640 -0.003 0.000 0.250 320 D C -0.657 175.711 176.300 0.112 0.000 1.113 320 D CA -0.242 53.872 54.000 0.191 0.000 0.871 320 D CB 0.901 41.798 40.800 0.161 0.000 1.167 320 D HN 0.274 nan 8.370 nan 0.000 0.447 321 L N 5.505 126.735 121.223 0.011 0.000 2.363 321 L HA 0.188 4.527 4.340 -0.003 0.000 0.286 321 L C 0.471 177.245 176.870 -0.159 0.000 1.106 321 L CA 0.241 54.952 54.840 -0.215 0.000 0.859 321 L CB 0.057 41.720 42.059 -0.660 0.000 1.223 321 L HN 0.596 nan 8.230 nan 0.000 0.446 322 L N 4.473 125.672 121.223 -0.041 0.000 2.162 322 L HA 0.310 4.649 4.340 -0.003 0.000 0.205 322 L C 0.903 177.741 176.870 -0.054 0.000 1.086 322 L CA 0.694 55.521 54.840 -0.021 0.000 0.778 322 L CB -0.357 41.705 42.059 0.005 0.000 0.928 322 L HN 0.770 nan 8.230 nan 0.000 0.446 323 A N -0.318 122.467 122.820 -0.057 0.000 2.594 323 A HA 0.682 5.000 4.320 -0.003 0.000 0.295 323 A C -1.531 176.023 177.584 -0.051 0.000 1.071 323 A CA -0.323 51.671 52.037 -0.071 0.000 0.685 323 A CB 1.879 20.848 19.000 -0.053 0.000 1.285 323 A HN -0.013 nan 8.150 nan 0.000 0.405 324 L N 1.364 122.527 121.223 -0.100 0.000 2.555 324 L HA 0.681 5.020 4.340 -0.003 0.000 0.264 324 L C -0.297 176.536 176.870 -0.061 0.000 0.972 324 L CA -0.267 54.524 54.840 -0.082 0.000 0.876 324 L CB 1.266 43.178 42.059 -0.245 0.000 1.216 324 L HN 1.172 nan 8.230 nan 0.000 0.415 325 A N 3.701 126.596 122.820 0.125 0.000 2.387 325 A HA 1.025 5.344 4.320 -0.003 0.000 0.303 325 A C -1.105 176.707 177.584 0.379 0.000 1.145 325 A CA -0.151 52.037 52.037 0.251 0.000 0.801 325 A CB 2.054 21.143 19.000 0.148 0.000 1.342 325 A HN 0.839 nan 8.150 nan 0.000 0.440 326 A N -0.776 122.293 122.820 0.414 0.000 2.547 326 A HA 0.842 5.161 4.320 -0.003 0.000 0.297 326 A C -0.620 177.142 177.584 0.296 0.000 1.056 326 A CA 0.131 52.359 52.037 0.318 0.000 0.688 326 A CB 1.256 20.386 19.000 0.215 0.000 1.282 326 A HN 2.460 nan 8.150 nan 0.000 0.400 327 A N 1.280 124.251 122.820 0.252 0.000 2.374 327 A HA 0.937 5.255 4.320 -0.003 0.000 0.305 327 A C -0.391 177.338 177.584 0.241 0.000 1.053 327 A CA -0.562 51.606 52.037 0.219 0.000 0.726 327 A CB 1.287 20.384 19.000 0.162 0.000 1.229 327 A HN 1.356 nan 8.150 nan 0.000 0.431 328 R N 1.505 122.121 120.500 0.194 0.000 2.563 328 R HA 0.496 4.834 4.340 -0.003 0.000 0.262 328 R C 0.327 176.696 176.300 0.116 0.000 1.128 328 R CA 0.485 56.684 56.100 0.165 0.000 0.969 328 R CB 1.262 31.625 30.300 0.106 0.000 1.251 328 R HN 2.295 nan 8.270 nan 0.000 0.442 329 G N 2.233 111.091 108.800 0.098 0.000 2.366 329 G HA2 -0.106 3.852 3.960 -0.003 0.000 0.299 329 G HA3 -0.106 3.852 3.960 -0.003 0.000 0.299 329 G C 0.811 175.739 174.900 0.046 0.000 1.020 329 G CA 0.806 45.945 45.100 0.065 0.000 1.026 329 G HN 1.785 nan 8.290 nan 0.000 0.512 330 G N -1.106 107.720 108.800 0.043 0.000 2.198 330 G HA2 -0.084 3.874 3.960 -0.003 0.000 0.260 330 G HA3 -0.084 3.874 3.960 -0.003 0.000 0.260 330 G C 0.322 175.221 174.900 -0.001 0.000 1.025 330 G CA 1.364 46.476 45.100 0.020 0.000 0.769 330 G HN 2.096 nan 8.290 nan 0.000 0.507 331 R N -1.785 118.711 120.500 -0.006 0.000 2.725 331 R HA 0.801 5.140 4.340 -0.003 0.000 0.277 331 R C -1.304 174.921 176.300 -0.125 0.000 0.987 331 R CA -0.932 55.114 56.100 -0.090 0.000 0.901 331 R CB 2.479 32.700 30.300 -0.133 0.000 1.207 331 R HN 0.652 nan 8.270 nan 0.000 0.463 332 V N 2.562 122.360 119.914 -0.193 0.000 2.495 332 V HA 0.467 4.585 4.120 -0.003 0.000 0.298 332 V C -1.445 174.512 176.094 -0.228 0.000 1.031 332 V CA -0.628 61.607 62.300 -0.109 0.000 0.871 332 V CB 1.497 33.311 31.823 -0.014 0.000 0.988 332 V HN 0.924 nan 8.190 nan 0.000 0.432 333 H N 5.742 124.893 119.070 0.135 0.000 2.551 333 H HA 0.603 5.157 4.556 -0.003 0.000 0.321 333 H C -0.215 175.337 175.328 0.374 0.000 1.028 333 H CA -0.424 55.761 56.048 0.228 0.000 1.215 333 H CB 0.936 30.790 29.762 0.154 0.000 1.414 333 H HN 0.555 nan 8.280 nan 0.000 0.480 334 R N 2.051 122.757 120.500 0.344 0.000 2.294 334 R HA 0.595 4.934 4.340 -0.003 0.000 0.319 334 R C -0.414 175.939 176.300 0.089 0.000 0.984 334 R CA -0.911 55.303 56.100 0.189 0.000 0.861 334 R CB 1.539 31.883 30.300 0.073 0.000 1.104 334 R HN 0.659 nan 8.270 nan 0.000 0.451 335 A N 5.092 127.753 122.820 -0.264 0.000 2.409 335 A HA 0.272 4.591 4.320 -0.003 0.000 0.267 335 A C -1.567 175.803 177.584 -0.356 0.000 1.127 335 A CA -1.318 50.293 52.037 -0.710 0.000 0.795 335 A CB 0.289 18.446 19.000 -1.405 0.000 1.061 335 A HN 0.544 nan 8.150 nan 0.000 0.502 336 P HA -0.105 nan 4.420 nan 0.000 0.214 336 P C 0.265 177.484 177.300 -0.134 0.000 1.163 336 P CA 1.176 64.202 63.100 -0.124 0.000 0.883 336 P CB 0.359 32.020 31.700 -0.065 0.000 0.788 337 E N -1.634 118.460 120.200 -0.177 0.000 2.235 337 E HA 0.176 4.524 4.350 -0.003 0.000 0.252 337 E C -2.101 174.387 176.600 -0.187 0.000 0.886 337 E CA -2.702 53.627 56.400 -0.120 0.000 0.767 337 E CB 1.297 30.969 29.700 -0.047 0.000 1.205 337 E HN -0.111 nan 8.360 nan 0.000 0.421 338 P HA -0.182 nan 4.420 nan 0.000 0.215 338 P C 0.884 178.022 177.300 -0.269 0.000 1.163 338 P CA 1.417 64.332 63.100 -0.309 0.000 0.894 338 P CB 0.034 31.535 31.700 -0.331 0.000 0.791 339 Y N -0.066 120.167 120.300 -0.113 0.000 2.145 339 Y HA -0.188 4.361 4.550 -0.003 0.000 0.286 339 Y C 2.654 178.511 175.900 -0.072 0.000 1.145 339 Y CA 1.670 59.721 58.100 -0.082 0.000 1.148 339 Y CB -0.805 37.619 38.460 -0.061 0.000 0.981 339 Y HN -0.097 nan 8.280 nan 0.000 0.507 340 K N 0.249 120.696 120.400 0.079 0.000 2.097 340 K HA -0.155 4.164 4.320 -0.003 0.000 0.206 340 K C 2.237 178.847 176.600 0.017 0.000 1.049 340 K CA 1.046 57.355 56.287 0.038 0.000 0.933 340 K CB -0.304 32.208 32.500 0.020 0.000 0.717 340 K HN 0.259 nan 8.250 nan 0.000 0.442 341 A N 1.082 123.845 122.820 -0.095 0.000 2.024 341 A HA -0.146 4.172 4.320 -0.003 0.000 0.220 341 A C 1.936 179.590 177.584 0.117 0.000 1.164 341 A CA 1.044 53.010 52.037 -0.119 0.000 0.643 341 A CB -0.465 18.063 19.000 -0.788 0.000 0.806 341 A HN 0.327 nan 8.150 nan 0.000 0.451 342 L N -0.621 120.612 121.223 0.017 0.000 2.127 342 L HA -0.112 4.226 4.340 -0.003 0.000 0.211 342 L C 2.379 179.292 176.870 0.071 0.000 1.089 342 L CA 1.742 56.603 54.840 0.034 0.000 0.757 342 L CB -0.568 41.475 42.059 -0.027 0.000 0.899 342 L HN 0.271 nan 8.230 nan 0.000 0.434 343 R N -0.270 120.277 120.500 0.077 0.000 2.193 343 R HA -0.096 4.242 4.340 -0.003 0.000 0.229 343 R C 1.659 178.005 176.300 0.076 0.000 1.110 343 R CA 0.926 57.065 56.100 0.064 0.000 0.988 343 R CB -0.512 29.822 30.300 0.056 0.000 0.871 343 R HN 0.399 nan 8.270 nan 0.000 0.458 344 D N -0.180 120.305 120.400 0.143 0.000 2.277 344 D HA -0.015 4.624 4.640 -0.003 0.000 0.208 344 D C 0.264 176.579 176.300 0.025 0.000 0.962 344 D CA 0.535 54.598 54.000 0.106 0.000 0.865 344 D CB 0.169 41.096 40.800 0.212 0.000 0.939 344 D HN 0.184 nan 8.370 nan 0.000 0.510 345 L N 0.736 121.995 121.223 0.059 0.000 2.371 345 L HA 0.199 4.537 4.340 -0.003 0.000 0.272 345 L C 1.426 178.278 176.870 -0.029 0.000 1.124 345 L CA -0.330 54.510 54.840 0.000 0.000 0.816 345 L CB 1.126 43.206 42.059 0.036 0.000 1.129 345 L HN -0.302 nan 8.230 nan 0.000 0.448 346 K N 1.072 121.436 120.400 -0.060 0.000 2.354 346 K HA 0.198 4.516 4.320 -0.003 0.000 0.194 346 K C -0.136 176.426 176.600 -0.064 0.000 1.045 346 K CA 0.491 56.742 56.287 -0.059 0.000 1.026 346 K CB 0.567 33.024 32.500 -0.071 0.000 0.866 346 K HN 0.637 nan 8.250 nan 0.000 0.530 347 E N -0.989 119.165 120.200 -0.077 0.000 2.378 347 E HA 0.454 4.803 4.350 -0.003 0.000 0.283 347 E C -1.817 174.733 176.600 -0.083 0.000 0.979 347 E CA -0.663 55.686 56.400 -0.084 0.000 0.795 347 E CB 1.507 31.144 29.700 -0.105 0.000 1.221 347 E HN 0.034 nan 8.360 nan 0.000 0.428 348 A N 4.380 127.158 122.820 -0.071 0.000 2.391 348 A HA 0.464 4.782 4.320 -0.003 0.000 0.316 348 A C -0.405 177.158 177.584 -0.034 0.000 1.381 348 A CA -0.327 51.684 52.037 -0.044 0.000 0.998 348 A CB 0.008 18.976 19.000 -0.054 0.000 1.147 348 A HN 0.468 nan 8.150 nan 0.000 0.545 349 R N 1.923 122.385 120.500 -0.063 0.000 2.343 349 R HA 0.669 5.007 4.340 -0.003 0.000 0.320 349 R C 0.353 176.712 176.300 0.098 0.000 0.956 349 R CA 0.375 56.417 56.100 -0.096 0.000 0.836 349 R CB 1.816 31.869 30.300 -0.412 0.000 1.151 349 R HN 1.068 nan 8.270 nan 0.000 0.450 350 G N 1.776 110.715 108.800 0.232 0.000 2.359 350 G HA2 0.031 3.989 3.960 -0.003 0.000 0.293 350 G HA3 0.031 3.989 3.960 -0.003 0.000 0.293 350 G C -1.340 173.729 174.900 0.281 0.000 1.300 350 G CA -1.204 44.106 45.100 0.350 0.000 0.888 350 G HN 0.370 nan 8.290 nan 0.000 0.541 351 L N 1.124 122.500 121.223 0.255 0.000 2.499 351 L HA 0.293 4.632 4.340 -0.003 0.000 0.273 351 L C 1.227 178.213 176.870 0.193 0.000 1.195 351 L CA 0.134 55.081 54.840 0.177 0.000 0.882 351 L CB 0.155 42.305 42.059 0.151 0.000 1.133 351 L HN 0.677 nan 8.230 nan 0.000 0.483 352 L N 2.384 123.691 121.223 0.141 0.000 3.717 352 L HA -0.327 4.011 4.340 -0.003 0.000 0.411 352 L C 1.725 178.779 176.870 0.307 0.000 1.233 352 L CA 0.247 55.200 54.840 0.189 0.000 0.917 352 L CB -1.674 40.495 42.059 0.183 0.000 1.902 352 L HN 0.923 nan 8.230 nan 0.000 0.894 353 A N 0.635 123.591 122.820 0.227 0.000 1.884 353 A HA -0.309 4.010 4.320 -0.003 0.000 0.219 353 A C 2.189 179.810 177.584 0.061 0.000 1.197 353 A CA 2.486 54.618 52.037 0.158 0.000 0.637 353 A CB -0.340 18.720 19.000 0.099 0.000 0.827 353 A HN 0.678 nan 8.150 nan 0.000 0.450 354 K N -0.665 119.761 120.400 0.043 0.000 2.059 354 K HA -0.286 4.032 4.320 -0.003 0.000 0.212 354 K C 1.499 178.087 176.600 -0.019 0.000 1.050 354 K CA 2.112 58.394 56.287 -0.009 0.000 0.927 354 K CB -0.380 32.120 32.500 -0.000 0.000 0.714 354 K HN 0.394 nan 8.250 nan 0.000 0.447 355 D N 0.656 121.087 120.400 0.052 0.000 2.133 355 D HA -0.191 4.447 4.640 -0.003 0.000 0.195 355 D C 1.823 178.046 176.300 -0.128 0.000 0.997 355 D CA 1.123 55.153 54.000 0.051 0.000 0.840 355 D CB -0.220 40.722 40.800 0.237 0.000 0.947 355 D HN 0.220 nan 8.370 nan 0.000 0.452 356 L N 0.349 121.376 121.223 -0.326 0.000 2.109 356 L HA -0.040 4.298 4.340 -0.003 0.000 0.207 356 L C 2.087 178.764 176.870 -0.321 0.000 1.086 356 L CA 1.427 55.892 54.840 -0.625 0.000 0.760 356 L CB -0.479 41.001 42.059 -0.966 0.000 0.910 356 L HN -0.154 nan 8.230 nan 0.000 0.437 357 S N -1.091 114.482 115.700 -0.211 0.000 2.368 357 S HA -0.144 4.324 4.470 -0.003 0.000 0.225 357 S C 1.976 176.468 174.600 -0.180 0.000 1.030 357 S CA 1.364 59.458 58.200 -0.177 0.000 0.999 357 S CB -0.396 62.709 63.200 -0.158 0.000 0.844 357 S HN 0.338 nan 8.310 nan 0.000 0.459 358 V N 2.107 121.926 119.914 -0.158 0.000 2.287 358 V HA -0.179 3.939 4.120 -0.003 0.000 0.248 358 V C 2.214 178.215 176.094 -0.154 0.000 1.053 358 V CA 1.806 64.019 62.300 -0.144 0.000 1.027 358 V CB -0.643 31.124 31.823 -0.094 0.000 0.646 358 V HN 0.437 nan 8.190 nan 0.000 0.447 359 L N 0.054 121.185 121.223 -0.153 0.000 2.083 359 L HA -0.124 4.214 4.340 -0.003 0.000 0.209 359 L C 2.492 179.292 176.870 -0.118 0.000 1.083 359 L CA 1.805 56.563 54.840 -0.136 0.000 0.752 359 L CB -0.507 41.467 42.059 -0.142 0.000 0.899 359 L HN 0.290 nan 8.230 nan 0.000 0.433 360 A N 0.055 122.793 122.820 -0.138 0.000 1.877 360 A HA -0.201 4.117 4.320 -0.003 0.000 0.216 360 A C 2.184 179.715 177.584 -0.087 0.000 1.186 360 A CA 1.880 53.856 52.037 -0.102 0.000 0.620 360 A CB -0.935 17.997 19.000 -0.113 0.000 0.822 360 A HN 0.493 nan 8.150 nan 0.000 0.443 361 L N -0.968 120.187 121.223 -0.115 0.000 2.079 361 L HA -0.210 4.128 4.340 -0.003 0.000 0.210 361 L C 2.790 179.600 176.870 -0.101 0.000 1.081 361 L CA 1.718 56.497 54.840 -0.101 0.000 0.752 361 L CB -0.464 41.514 42.059 -0.136 0.000 0.896 361 L HN 0.483 nan 8.230 nan 0.000 0.433 362 R N 0.277 120.694 120.500 -0.138 0.000 2.127 362 R HA -0.160 4.179 4.340 -0.003 0.000 0.238 362 R C 1.233 177.465 176.300 -0.114 0.000 1.134 362 R CA 1.234 57.227 56.100 -0.178 0.000 0.975 362 R CB 0.092 30.258 30.300 -0.223 0.000 0.865 362 R HN 0.309 nan 8.270 nan 0.000 0.447 363 E N -0.740 119.422 120.200 -0.064 0.000 2.419 363 E HA 0.098 4.446 4.350 -0.003 0.000 0.190 363 E C 0.623 177.207 176.600 -0.027 0.000 1.040 363 E CA 0.580 56.962 56.400 -0.030 0.000 0.900 363 E CB 0.867 30.582 29.700 0.024 0.000 1.054 363 E HN 0.580 nan 8.360 nan 0.000 0.462 364 G N 1.386 110.164 108.800 -0.036 0.000 2.143 364 G HA2 -0.285 3.674 3.960 -0.003 0.000 0.248 364 G HA3 -0.285 3.674 3.960 -0.003 0.000 0.248 364 G C 0.150 175.044 174.900 -0.010 0.000 0.991 364 G CA 0.199 45.287 45.100 -0.020 0.000 0.689 364 G HN 0.246 nan 8.290 nan 0.000 0.522 365 L N 0.163 121.376 121.223 -0.016 0.000 2.295 365 L HA 0.635 4.973 4.340 -0.003 0.000 0.285 365 L C 1.279 178.140 176.870 -0.015 0.000 1.035 365 L CA -0.369 54.464 54.840 -0.012 0.000 0.806 365 L CB 1.850 43.900 42.059 -0.015 0.000 1.214 365 L HN 0.116 nan 8.230 nan 0.000 0.426 366 G N 3.547 112.348 108.800 0.002 0.000 3.541 366 G HA2 0.288 4.246 3.960 -0.003 0.000 0.253 366 G HA3 0.288 4.246 3.960 -0.003 0.000 0.253 366 G C -0.341 174.556 174.900 -0.005 0.000 1.017 366 G CA -0.205 44.907 45.100 0.020 0.000 1.832 366 G HN 0.332 nan 8.290 nan 0.000 0.649 367 L N 2.363 123.560 121.223 -0.043 0.000 2.283 367 L HA 0.491 4.830 4.340 -0.003 0.000 0.287 367 L C -2.217 174.602 176.870 -0.084 0.000 1.073 367 L CA -2.417 52.389 54.840 -0.058 0.000 0.822 367 L CB 1.296 43.313 42.059 -0.069 0.000 1.186 367 L HN -0.012 nan 8.230 nan 0.000 0.436 368 P HA 0.419 nan 4.420 nan 0.000 0.286 368 P C -2.886 174.367 177.300 -0.079 0.000 1.261 368 P CA -2.088 60.970 63.100 -0.070 0.000 0.821 368 P CB 0.517 32.202 31.700 -0.026 0.000 1.013 369 P HA 0.238 nan 4.420 nan 0.000 0.285 369 P C -0.026 177.238 177.300 -0.060 0.000 1.259 369 P CA 0.233 63.295 63.100 -0.063 0.000 0.794 369 P CB 1.312 32.976 31.700 -0.059 0.000 0.940 370 G N 1.990 110.759 108.800 -0.052 0.000 3.247 370 G HA2 0.210 4.169 3.960 -0.003 0.000 0.163 370 G HA3 0.210 4.169 3.960 -0.003 0.000 0.163 370 G C -0.636 174.262 174.900 -0.002 0.000 1.206 370 G CA -0.396 44.668 45.100 -0.061 0.000 0.918 370 G HN 0.352 nan 8.290 nan 0.000 0.625 371 D N 1.128 121.534 120.400 0.010 0.000 2.583 371 D HA 0.247 4.886 4.640 -0.003 0.000 0.232 371 D C -0.794 175.650 176.300 0.240 0.000 1.128 371 D CA 0.937 55.055 54.000 0.197 0.000 0.859 371 D CB 1.214 42.008 40.800 -0.010 0.000 1.169 371 D HN 0.253 nan 8.370 nan 0.000 0.481 372 D N 2.338 122.980 120.400 0.403 0.000 2.575 372 D HA 0.221 4.859 4.640 -0.003 0.000 0.250 372 D C -2.177 174.347 176.300 0.374 0.000 1.279 372 D CA -2.078 52.120 54.000 0.331 0.000 0.925 372 D CB 2.038 42.972 40.800 0.223 0.000 1.261 372 D HN -0.121 nan 8.370 nan 0.000 0.567 373 P HA -0.132 nan 4.420 nan 0.000 0.218 373 P C 1.808 179.172 177.300 0.108 0.000 1.146 373 P CA 0.994 64.229 63.100 0.224 0.000 0.813 373 P CB 0.163 31.974 31.700 0.184 0.000 0.778 374 M N -1.480 118.189 119.600 0.114 0.000 2.108 374 M HA -0.113 4.366 4.480 -0.003 0.000 0.261 374 M C 2.103 178.480 176.300 0.128 0.000 1.066 374 M CA 1.638 56.981 55.300 0.073 0.000 1.107 374 M CB -1.610 31.004 32.600 0.025 0.000 1.356 374 M HN 0.033 nan 8.290 nan 0.000 0.406 375 L N -0.675 120.666 121.223 0.197 0.000 2.093 375 L HA -0.194 4.144 4.340 -0.003 0.000 0.208 375 L C 2.409 179.438 176.870 0.266 0.000 1.085 375 L CA 0.787 55.802 54.840 0.291 0.000 0.755 375 L CB -0.679 41.627 42.059 0.411 0.000 0.904 375 L HN 0.272 nan 8.230 nan 0.000 0.435 376 L N -0.253 121.031 121.223 0.101 0.000 2.005 376 L HA -0.172 4.166 4.340 -0.003 0.000 0.207 376 L C 2.960 179.777 176.870 -0.088 0.000 1.072 376 L CA 1.214 55.985 54.840 -0.115 0.000 0.744 376 L CB -0.803 41.092 42.059 -0.274 0.000 0.895 376 L HN 0.218 nan 8.230 nan 0.000 0.433 377 A N -0.485 122.281 122.820 -0.090 0.000 1.883 377 A HA -0.314 4.004 4.320 -0.003 0.000 0.217 377 A C 2.233 179.851 177.584 0.057 0.000 1.186 377 A CA 1.889 53.861 52.037 -0.108 0.000 0.624 377 A CB -1.074 17.885 19.000 -0.068 0.000 0.822 377 A HN 0.494 nan 8.150 nan 0.000 0.444 378 Y N 0.289 120.593 120.300 0.006 0.000 2.274 378 Y HA -0.118 4.430 4.550 -0.003 0.000 0.290 378 Y C 1.898 177.830 175.900 0.052 0.000 1.145 378 Y CA 1.629 59.755 58.100 0.043 0.000 1.203 378 Y CB -0.215 38.279 38.460 0.057 0.000 0.984 378 Y HN 0.227 nan 8.280 nan 0.000 0.533 379 L N -0.978 120.266 121.223 0.034 0.000 2.109 379 L HA -0.197 4.141 4.340 -0.003 0.000 0.207 379 L C 2.343 179.173 176.870 -0.068 0.000 1.086 379 L CA 0.904 55.721 54.840 -0.039 0.000 0.760 379 L CB -0.490 41.605 42.059 0.059 0.000 0.910 379 L HN 0.248 nan 8.230 nan 0.000 0.437 380 L N -0.958 120.233 121.223 -0.054 0.000 2.046 380 L HA -0.114 4.224 4.340 -0.003 0.000 0.208 380 L C 0.415 177.306 176.870 0.035 0.000 1.077 380 L CA 1.009 55.829 54.840 -0.034 0.000 0.747 380 L CB -0.047 41.975 42.059 -0.061 0.000 0.896 380 L HN 0.239 nan 8.230 nan 0.000 0.432 381 D N -1.834 118.575 120.400 0.015 0.000 2.591 381 D HA 0.131 4.769 4.640 -0.003 0.000 0.222 381 D C -2.193 174.099 176.300 -0.013 0.000 1.360 381 D CA -1.545 52.486 54.000 0.051 0.000 0.967 381 D CB 1.696 42.503 40.800 0.011 0.000 1.456 381 D HN -0.233 nan 8.370 nan 0.000 0.588 382 P HA -0.067 nan 4.420 nan 0.000 0.234 382 P C 0.917 178.279 177.300 0.104 0.000 1.167 382 P CA 0.477 63.426 63.100 -0.252 0.000 0.763 382 P CB 0.094 31.599 31.700 -0.324 0.000 0.835 383 S N -1.676 114.079 115.700 0.092 0.000 2.603 383 S HA 0.003 4.472 4.470 -0.003 0.000 0.220 383 S C 0.774 175.444 174.600 0.117 0.000 0.967 383 S CA -0.295 57.967 58.200 0.103 0.000 0.920 383 S CB -1.295 61.942 63.200 0.062 0.000 0.773 383 S HN 0.154 nan 8.310 nan 0.000 0.529 384 N N 2.479 121.273 118.700 0.156 0.000 2.508 384 N HA 0.196 4.934 4.740 -0.003 0.000 0.253 384 N C 0.742 176.370 175.510 0.196 0.000 1.145 384 N CA 0.271 53.423 53.050 0.169 0.000 0.973 384 N CB 0.825 39.428 38.487 0.195 0.000 1.305 384 N HN 0.537 nan 8.380 nan 0.000 0.506 385 T N -2.892 111.726 114.554 0.106 0.000 2.959 385 T HA 0.044 4.392 4.350 -0.003 0.000 0.254 385 T C 0.768 175.448 174.700 -0.033 0.000 1.003 385 T CA -0.096 62.033 62.100 0.049 0.000 0.950 385 T CB 0.253 69.152 68.868 0.053 0.000 1.090 385 T HN 0.355 nan 8.240 nan 0.000 0.503 386 T N -0.823 113.701 114.554 -0.051 0.000 2.907 386 T HA 0.604 4.952 4.350 -0.003 0.000 0.292 386 T C -2.578 171.996 174.700 -0.210 0.000 1.043 386 T CA -1.829 60.187 62.100 -0.140 0.000 1.003 386 T CB 2.230 71.025 68.868 -0.121 0.000 1.084 386 T HN -0.298 nan 8.240 nan 0.000 0.483 387 P HA 0.003 nan 4.420 nan 0.000 0.217 387 P C 1.152 178.229 177.300 -0.371 0.000 1.150 387 P CA 0.932 63.671 63.100 -0.602 0.000 0.832 387 P CB 0.136 30.890 31.700 -1.576 0.000 0.787 388 E N -0.265 119.726 120.200 -0.348 0.000 2.049 388 E HA -0.164 4.184 4.350 -0.003 0.000 0.198 388 E C 2.315 178.909 176.600 -0.009 0.000 1.007 388 E CA 1.918 58.285 56.400 -0.055 0.000 0.809 388 E CB -1.421 28.270 29.700 -0.016 0.000 0.749 388 E HN 0.231 nan 8.360 nan 0.000 0.450 389 G N 0.138 108.918 108.800 -0.034 0.000 2.404 389 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.215 389 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.215 389 G C 1.767 176.681 174.900 0.023 0.000 1.174 389 G CA 0.840 45.937 45.100 -0.006 0.000 0.780 389 G HN 0.181 nan 8.290 nan 0.000 0.537 390 V N 1.637 121.585 119.914 0.056 0.000 2.392 390 V HA -0.163 3.956 4.120 -0.003 0.000 0.249 390 V C 3.301 179.518 176.094 0.204 0.000 1.059 390 V CA 2.044 64.458 62.300 0.189 0.000 1.051 390 V CB -0.823 31.079 31.823 0.133 0.000 0.658 390 V HN 0.498 nan 8.190 nan 0.000 0.455 391 A N -0.134 122.755 122.820 0.116 0.000 1.835 391 A HA -0.245 4.073 4.320 -0.003 0.000 0.215 391 A C 2.373 180.005 177.584 0.080 0.000 1.199 391 A CA 1.968 54.084 52.037 0.131 0.000 0.615 391 A CB -0.623 18.480 19.000 0.173 0.000 0.838 391 A HN 0.448 nan 8.150 nan 0.000 0.444 392 R N -1.151 119.373 120.500 0.041 0.000 2.117 392 R HA -0.160 4.179 4.340 -0.003 0.000 0.243 392 R C 2.510 178.763 176.300 -0.078 0.000 1.143 392 R CA 1.751 57.847 56.100 -0.006 0.000 0.968 392 R CB -0.251 30.041 30.300 -0.012 0.000 0.863 392 R HN 0.582 nan 8.270 nan 0.000 0.444 393 R N -0.580 119.831 120.500 -0.148 0.000 2.119 393 R HA -0.102 4.236 4.340 -0.003 0.000 0.222 393 R C 0.594 176.544 176.300 -0.584 0.000 1.088 393 R CA 1.259 57.104 56.100 -0.424 0.000 0.984 393 R CB 0.234 30.164 30.300 -0.617 0.000 0.884 393 R HN 0.225 nan 8.270 nan 0.000 0.447 394 Y N -1.440 118.854 120.300 -0.009 0.000 2.612 394 Y HA 0.384 4.932 4.550 -0.003 0.000 0.250 394 Y C 0.428 176.325 175.900 -0.004 0.000 1.175 394 Y CA 0.066 58.158 58.100 -0.012 0.000 1.205 394 Y CB 1.751 40.202 38.460 -0.016 0.000 1.201 394 Y HN 0.229 nan 8.280 nan 0.000 0.532 395 G N -0.141 108.708 108.800 0.082 0.000 2.455 395 G HA2 0.237 4.195 3.960 -0.003 0.000 0.169 395 G HA3 0.237 4.195 3.960 -0.003 0.000 0.169 395 G C 0.055 174.989 174.900 0.057 0.000 1.074 395 G CA -0.265 44.868 45.100 0.056 0.000 0.796 395 G HN 0.794 nan 8.290 nan 0.000 0.489 396 G N -1.107 107.731 108.800 0.062 0.000 2.561 396 G HA2 0.738 4.697 3.960 -0.003 0.000 0.310 396 G HA3 0.738 4.697 3.960 -0.003 0.000 0.310 396 G C -1.498 173.447 174.900 0.075 0.000 1.292 396 G CA 0.244 45.383 45.100 0.065 0.000 0.811 396 G HN 0.691 nan 8.290 nan 0.000 0.482 397 E N -0.129 120.122 120.200 0.084 0.000 2.263 397 E HA 0.257 4.605 4.350 -0.003 0.000 0.268 397 E C -1.298 175.388 176.600 0.145 0.000 0.884 397 E CA -0.912 55.548 56.400 0.099 0.000 0.766 397 E CB 1.859 31.587 29.700 0.046 0.000 1.196 397 E HN 0.576 nan 8.360 nan 0.000 0.416 398 W N 7.457 128.752 121.300 -0.008 0.000 2.546 398 W HA 0.123 4.782 4.660 -0.002 0.000 0.323 398 W C -0.493 176.013 176.519 -0.023 0.000 1.272 398 W CA 0.080 57.415 57.345 -0.018 0.000 1.404 398 W CB 0.667 30.118 29.460 -0.015 0.000 1.411 398 W HN 0.655 nan 8.180 nan 0.000 0.480 399 T N 1.608 115.869 114.554 -0.488 0.000 2.864 399 T HA 0.296 4.644 4.350 -0.003 0.000 0.276 399 T C 0.346 174.666 174.700 -0.633 0.000 1.006 399 T CA -0.518 61.333 62.100 -0.416 0.000 0.970 399 T CB 1.746 70.463 68.868 -0.251 0.000 1.420 399 T HN 0.373 nan 8.240 nan 0.000 0.601 400 E N 0.320 120.296 120.200 -0.372 0.000 2.569 400 E HA 0.253 4.601 4.350 -0.003 0.000 0.205 400 E C -0.256 176.192 176.600 -0.255 0.000 1.006 400 E CA -0.092 56.117 56.400 -0.318 0.000 0.985 400 E CB 0.464 30.058 29.700 -0.175 0.000 1.060 400 E HN 0.556 nan 8.360 nan 0.000 0.460 401 E N 0.188 120.223 120.200 -0.275 0.000 2.199 401 E HA 0.435 4.783 4.350 -0.003 0.000 0.269 401 E C 0.334 176.815 176.600 -0.198 0.000 0.899 401 E CA -0.353 55.935 56.400 -0.187 0.000 0.772 401 E CB 1.922 31.542 29.700 -0.132 0.000 1.155 401 E HN -0.010 nan 8.360 nan 0.000 0.408 402 A N 3.959 126.700 122.820 -0.131 0.000 1.877 402 A HA -0.126 4.192 4.320 -0.003 0.000 0.216 402 A C 1.843 179.400 177.584 -0.044 0.000 1.186 402 A CA 2.073 54.056 52.037 -0.089 0.000 0.620 402 A CB -0.946 18.038 19.000 -0.028 0.000 0.822 402 A HN 0.730 nan 8.150 nan 0.000 0.443 403 G N -0.425 108.360 108.800 -0.025 0.000 2.446 403 G HA2 -0.244 3.715 3.960 -0.003 0.000 0.217 403 G HA3 -0.244 3.715 3.960 -0.003 0.000 0.217 403 G C 1.416 176.309 174.900 -0.013 0.000 1.168 403 G CA 1.057 46.162 45.100 0.008 0.000 0.771 403 G HN 0.671 nan 8.290 nan 0.000 0.551 404 E N 0.074 120.239 120.200 -0.059 0.000 2.150 404 E HA -0.059 4.289 4.350 -0.003 0.000 0.193 404 E C 2.731 179.284 176.600 -0.078 0.000 0.985 404 E CA 0.411 56.769 56.400 -0.069 0.000 0.814 404 E CB -0.078 29.562 29.700 -0.101 0.000 0.752 404 E HN 0.362 nan 8.360 nan 0.000 0.466 405 R N 0.441 120.860 120.500 -0.136 0.000 2.092 405 R HA -0.033 4.305 4.340 -0.003 0.000 0.231 405 R C 2.333 178.651 176.300 0.030 0.000 1.119 405 R CA 1.000 57.025 56.100 -0.125 0.000 0.970 405 R CB -0.181 29.937 30.300 -0.304 0.000 0.864 405 R HN 0.092 nan 8.270 nan 0.000 0.440 406 A N 1.241 124.093 122.820 0.053 0.000 1.898 406 A HA -0.049 4.269 4.320 -0.003 0.000 0.216 406 A C 2.351 179.993 177.584 0.097 0.000 1.181 406 A CA 1.515 53.631 52.037 0.131 0.000 0.620 406 A CB -0.549 18.550 19.000 0.165 0.000 0.819 406 A HN 0.364 nan 8.150 nan 0.000 0.442 407 A N -0.472 122.379 122.820 0.051 0.000 1.898 407 A HA -0.011 4.308 4.320 -0.003 0.000 0.216 407 A C 2.126 179.706 177.584 -0.006 0.000 1.181 407 A CA 1.679 53.729 52.037 0.021 0.000 0.620 407 A CB -0.627 18.380 19.000 0.011 0.000 0.819 407 A HN 0.665 nan 8.150 nan 0.000 0.442 408 L N 0.189 121.422 121.223 0.016 0.000 2.012 408 L HA -0.134 4.204 4.340 -0.003 0.000 0.210 408 L C 2.510 179.390 176.870 0.017 0.000 1.073 408 L CA 2.652 57.515 54.840 0.039 0.000 0.748 408 L CB -0.726 41.392 42.059 0.098 0.000 0.891 408 L HN 0.302 nan 8.230 nan 0.000 0.431 409 S N -0.600 115.116 115.700 0.027 0.000 2.370 409 S HA -0.268 4.201 4.470 -0.003 0.000 0.226 409 S C 1.855 176.218 174.600 -0.395 0.000 1.033 409 S CA 1.566 59.754 58.200 -0.021 0.000 1.011 409 S CB -0.411 62.870 63.200 0.135 0.000 0.852 409 S HN 0.618 nan 8.310 nan 0.000 0.457 410 E N 1.105 120.943 120.200 -0.604 0.000 2.031 410 E HA -0.198 4.150 4.350 -0.003 0.000 0.193 410 E C 2.269 178.605 176.600 -0.441 0.000 0.994 410 E CA 1.018 56.789 56.400 -1.048 0.000 0.800 410 E CB -0.035 29.391 29.700 -0.457 0.000 0.752 410 E HN 0.359 nan 8.360 nan 0.000 0.447 411 R N 0.253 120.639 120.500 -0.189 0.000 2.083 411 R HA -0.131 4.207 4.340 -0.003 0.000 0.237 411 R C 2.615 178.897 176.300 -0.031 0.000 1.137 411 R CA 1.648 57.708 56.100 -0.067 0.000 0.951 411 R CB -0.437 29.851 30.300 -0.020 0.000 0.851 411 R HN 0.265 nan 8.270 nan 0.000 0.434 412 L N -0.588 120.623 121.223 -0.020 0.000 2.083 412 L HA -0.182 4.156 4.340 -0.003 0.000 0.209 412 L C 2.300 179.170 176.870 0.000 0.000 1.083 412 L CA 1.152 56.002 54.840 0.018 0.000 0.752 412 L CB -0.408 41.682 42.059 0.052 0.000 0.899 412 L HN 0.169 nan 8.230 nan 0.000 0.433 413 F N 0.815 120.669 119.950 -0.160 0.000 2.113 413 F HA -0.210 4.316 4.527 -0.003 0.000 0.297 413 F C 2.497 178.290 175.800 -0.011 0.000 1.103 413 F CA 1.312 59.255 58.000 -0.095 0.000 1.248 413 F CB -0.212 38.694 39.000 -0.156 0.000 0.999 413 F HN -0.008 nan 8.300 nan 0.000 0.475 414 A N 0.358 123.244 122.820 0.110 0.000 1.865 414 A HA -0.301 4.018 4.320 -0.003 0.000 0.217 414 A C 2.106 179.704 177.584 0.023 0.000 1.191 414 A CA 2.137 54.230 52.037 0.093 0.000 0.623 414 A CB -1.284 17.768 19.000 0.086 0.000 0.826 414 A HN 0.529 nan 8.150 nan 0.000 0.444 415 N N -0.084 118.615 118.700 -0.002 0.000 2.120 415 N HA -0.075 4.663 4.740 -0.003 0.000 0.188 415 N C 1.578 177.040 175.510 -0.079 0.000 1.024 415 N CA 1.613 54.659 53.050 -0.007 0.000 0.852 415 N CB -0.441 38.069 38.487 0.037 0.000 1.003 415 N HN 0.475 nan 8.380 nan 0.000 0.424 416 L N -0.796 120.322 121.223 -0.175 0.000 2.109 416 L HA -0.096 4.243 4.340 -0.003 0.000 0.207 416 L C 2.356 179.056 176.870 -0.283 0.000 1.086 416 L CA 0.661 55.319 54.840 -0.305 0.000 0.760 416 L CB -0.391 41.436 42.059 -0.386 0.000 0.910 416 L HN 0.377 nan 8.230 nan 0.000 0.437 417 W N 0.938 121.923 121.300 -0.524 0.000 2.363 417 W HA -0.148 4.511 4.660 -0.003 0.000 0.296 417 W C 1.896 178.252 176.519 -0.272 0.000 1.212 417 W CA 1.495 58.531 57.345 -0.514 0.000 1.260 417 W CB -0.138 28.933 29.460 -0.648 0.000 1.131 417 W HN 0.210 nan 8.180 nan 0.000 0.530 418 G N 0.735 109.452 108.800 -0.140 0.000 2.422 418 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.218 418 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.218 418 G C 1.591 176.372 174.900 -0.199 0.000 1.140 418 G CA 0.456 45.465 45.100 -0.151 0.000 0.775 418 G HN 0.233 nan 8.290 nan 0.000 0.545 419 R N -0.456 119.930 120.500 -0.191 0.000 2.189 419 R HA 0.211 4.549 4.340 -0.003 0.000 0.218 419 R C 1.677 177.842 176.300 -0.224 0.000 1.074 419 R CA 0.215 56.217 56.100 -0.164 0.000 0.991 419 R CB -0.167 30.057 30.300 -0.126 0.000 0.883 419 R HN 0.293 nan 8.270 nan 0.000 0.457 420 L N 1.136 122.147 121.223 -0.352 0.000 2.653 420 L HA 0.103 4.441 4.340 -0.003 0.000 0.232 420 L C 0.490 177.088 176.870 -0.453 0.000 1.169 420 L CA -0.054 54.542 54.840 -0.406 0.000 0.951 420 L CB 0.050 41.794 42.059 -0.525 0.000 1.181 420 L HN 0.131 nan 8.230 nan 0.000 0.460 421 E N 0.358 120.336 120.200 -0.371 0.000 2.194 421 E HA 0.268 4.616 4.350 -0.003 0.000 0.284 421 E C 0.847 177.346 176.600 -0.169 0.000 1.035 421 E CA 0.742 56.969 56.400 -0.289 0.000 0.836 421 E CB 1.133 30.699 29.700 -0.224 0.000 1.070 421 E HN 0.358 nan 8.360 nan 0.000 0.401 422 G N 5.092 113.812 108.800 -0.133 0.000 2.284 422 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.230 422 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.230 422 G C 0.184 175.044 174.900 -0.066 0.000 1.021 422 G CA -0.001 45.053 45.100 -0.076 0.000 0.619 422 G HN 0.571 nan 8.290 nan 0.000 0.510 423 E N 1.672 121.813 120.200 -0.098 0.000 2.148 423 E HA 0.197 4.546 4.350 -0.003 0.000 0.308 423 E C 1.286 177.858 176.600 -0.046 0.000 1.278 423 E CA -0.212 56.144 56.400 -0.073 0.000 1.368 423 E CB 0.410 30.049 29.700 -0.102 0.000 1.229 423 E HN 0.519 nan 8.360 nan 0.000 0.494 424 E N 0.981 121.174 120.200 -0.013 0.000 2.110 424 E HA -0.169 4.179 4.350 -0.003 0.000 0.193 424 E C 1.627 178.287 176.600 0.101 0.000 0.988 424 E CA 0.882 57.302 56.400 0.033 0.000 0.804 424 E CB 0.147 29.871 29.700 0.040 0.000 0.745 424 E HN 0.393 nan 8.360 nan 0.000 0.458 425 R N 0.130 120.679 120.500 0.082 0.000 2.092 425 R HA -0.017 4.322 4.340 -0.003 0.000 0.231 425 R C 2.627 179.045 176.300 0.198 0.000 1.119 425 R CA 0.780 56.957 56.100 0.127 0.000 0.970 425 R CB -0.342 29.998 30.300 0.066 0.000 0.864 425 R HN 0.162 nan 8.270 nan 0.000 0.440 426 L N 0.618 121.908 121.223 0.112 0.000 2.141 426 L HA -0.124 4.214 4.340 -0.003 0.000 0.209 426 L C 2.362 179.314 176.870 0.136 0.000 1.094 426 L CA 0.849 55.751 54.840 0.104 0.000 0.763 426 L CB -0.327 41.739 42.059 0.010 0.000 0.908 426 L HN 0.187 nan 8.230 nan 0.000 0.437 427 L N -1.454 119.829 121.223 0.100 0.000 2.093 427 L HA -0.235 4.104 4.340 -0.003 0.000 0.208 427 L C 2.429 179.442 176.870 0.238 0.000 1.085 427 L CA 1.498 56.410 54.840 0.121 0.000 0.755 427 L CB -0.379 41.695 42.059 0.026 0.000 0.904 427 L HN 0.408 nan 8.230 nan 0.000 0.435 428 W N 0.467 121.809 121.300 0.068 0.000 2.355 428 W HA -0.212 4.446 4.660 -0.003 0.000 0.309 428 W C 2.255 178.797 176.519 0.038 0.000 1.206 428 W CA 1.346 58.724 57.345 0.055 0.000 1.284 428 W CB -0.141 29.341 29.460 0.037 0.000 1.145 428 W HN -0.043 nan 8.180 nan 0.000 0.502 429 L N -0.414 121.030 121.223 0.369 0.000 2.042 429 L HA -0.285 4.054 4.340 -0.003 0.000 0.210 429 L C 2.466 179.347 176.870 0.018 0.000 1.076 429 L CA 1.871 56.806 54.840 0.158 0.000 0.749 429 L CB -1.204 41.004 42.059 0.248 0.000 0.893 429 L HN 0.132 nan 8.230 nan 0.000 0.432 430 Y N 0.691 120.994 120.300 0.005 0.000 2.163 430 Y HA -0.207 4.341 4.550 -0.003 0.000 0.288 430 Y C 2.753 178.638 175.900 -0.025 0.000 1.136 430 Y CA 1.527 59.643 58.100 0.027 0.000 1.147 430 Y CB -0.083 38.438 38.460 0.102 0.000 0.987 430 Y HN -0.030 nan 8.280 nan 0.000 0.509 431 R N -0.288 120.177 120.500 -0.057 0.000 2.093 431 R HA -0.065 4.273 4.340 -0.003 0.000 0.224 431 R C 1.720 177.821 176.300 -0.331 0.000 1.101 431 R CA 1.355 57.353 56.100 -0.170 0.000 0.979 431 R CB -0.101 30.199 30.300 -0.000 0.000 0.877 431 R HN 0.376 nan 8.270 nan 0.000 0.441 432 E N -0.137 119.742 120.200 -0.534 0.000 2.415 432 E HA 0.032 4.380 4.350 -0.003 0.000 0.197 432 E C 1.583 177.838 176.600 -0.575 0.000 1.007 432 E CA 0.517 56.494 56.400 -0.705 0.000 0.890 432 E CB 0.748 29.581 29.700 -1.445 0.000 0.891 432 E HN 0.108 nan 8.360 nan 0.000 0.496 433 V N 0.635 120.269 119.914 -0.467 0.000 3.449 433 V HA -0.018 4.100 4.120 -0.003 0.000 0.208 433 V C 1.920 177.892 176.094 -0.203 0.000 1.269 433 V CA 0.212 62.331 62.300 -0.302 0.000 1.301 433 V CB 0.029 31.704 31.823 -0.246 0.000 1.306 433 V HN -0.044 nan 8.190 nan 0.000 0.531 434 E N 0.923 121.028 120.200 -0.157 0.000 2.051 434 E HA -0.211 4.137 4.350 -0.003 0.000 0.192 434 E C 2.135 178.622 176.600 -0.189 0.000 0.991 434 E CA 1.469 57.810 56.400 -0.099 0.000 0.799 434 E CB -0.240 29.485 29.700 0.041 0.000 0.748 434 E HN 0.402 nan 8.360 nan 0.000 0.449 435 R N 0.606 120.878 120.500 -0.380 0.000 2.070 435 R HA -0.104 4.234 4.340 -0.003 0.000 0.233 435 R C -0.614 175.546 176.300 -0.235 0.000 1.137 435 R CA 1.604 57.468 56.100 -0.393 0.000 0.945 435 R CB -0.877 29.037 30.300 -0.644 0.000 0.845 435 R HN 0.112 nan 8.270 nan 0.000 0.430 436 P HA -0.139 nan 4.420 nan 0.000 0.217 436 P C 1.244 178.449 177.300 -0.158 0.000 1.150 436 P CA 0.796 63.798 63.100 -0.164 0.000 0.832 436 P CB -0.105 31.500 31.700 -0.158 0.000 0.787 437 L N 0.533 121.660 121.223 -0.160 0.000 2.079 437 L HA -0.188 4.150 4.340 -0.003 0.000 0.210 437 L C 2.264 179.042 176.870 -0.152 0.000 1.081 437 L CA 2.394 57.142 54.840 -0.152 0.000 0.752 437 L CB -1.551 40.437 42.059 -0.118 0.000 0.896 437 L HN 0.017 nan 8.230 nan 0.000 0.433 438 S N -0.836 114.790 115.700 -0.124 0.000 2.419 438 S HA -0.158 4.311 4.470 -0.003 0.000 0.235 438 S C 2.057 176.583 174.600 -0.124 0.000 1.019 438 S CA 0.917 59.058 58.200 -0.098 0.000 0.982 438 S CB -0.878 62.283 63.200 -0.065 0.000 0.789 438 S HN 0.540 nan 8.310 nan 0.000 0.490 439 A N 1.556 124.288 122.820 -0.147 0.000 1.872 439 A HA 0.164 4.482 4.320 -0.003 0.000 0.214 439 A C 2.421 179.865 177.584 -0.233 0.000 1.187 439 A CA 1.329 53.276 52.037 -0.151 0.000 0.614 439 A CB -1.089 17.859 19.000 -0.087 0.000 0.826 439 A HN 0.442 nan 8.150 nan 0.000 0.442 440 V N 0.512 120.185 119.914 -0.402 0.000 2.287 440 V HA -0.300 3.818 4.120 -0.003 0.000 0.248 440 V C 2.585 178.451 176.094 -0.380 0.000 1.053 440 V CA 2.124 63.998 62.300 -0.711 0.000 1.027 440 V CB -0.922 30.544 31.823 -0.596 0.000 0.646 440 V HN 0.564 nan 8.190 nan 0.000 0.447 441 L N 0.050 121.131 121.223 -0.237 0.000 2.083 441 L HA -0.157 4.181 4.340 -0.003 0.000 0.209 441 L C 2.735 179.585 176.870 -0.034 0.000 1.083 441 L CA 1.519 56.287 54.840 -0.120 0.000 0.752 441 L CB -0.843 41.182 42.059 -0.057 0.000 0.899 441 L HN 0.373 nan 8.230 nan 0.000 0.433 442 A N -0.938 121.821 122.820 -0.102 0.000 1.933 442 A HA -0.221 4.097 4.320 -0.003 0.000 0.218 442 A C 2.130 179.624 177.584 -0.150 0.000 1.175 442 A CA 1.371 53.329 52.037 -0.131 0.000 0.628 442 A CB -0.688 18.183 19.000 -0.214 0.000 0.814 442 A HN 0.418 nan 8.150 nan 0.000 0.444 443 H N -0.832 118.186 119.070 -0.086 0.000 2.363 443 H HA -0.007 4.547 4.556 -0.003 0.000 0.301 443 H C 2.190 177.536 175.328 0.030 0.000 1.074 443 H CA 1.789 57.828 56.048 -0.015 0.000 1.354 443 H CB -0.296 29.481 29.762 0.026 0.000 1.397 443 H HN 0.501 nan 8.280 nan 0.000 0.516 444 M N 0.552 120.225 119.600 0.122 0.000 2.080 444 M HA -0.180 4.299 4.480 -0.003 0.000 0.260 444 M C 2.229 178.643 176.300 0.190 0.000 1.068 444 M CA 1.676 57.056 55.300 0.134 0.000 1.109 444 M CB -0.260 32.378 32.600 0.063 0.000 1.342 444 M HN 0.242 nan 8.290 nan 0.000 0.405 445 E N 0.258 120.577 120.200 0.199 0.000 2.085 445 E HA -0.180 4.169 4.350 -0.003 0.000 0.194 445 E C 2.085 178.804 176.600 0.198 0.000 0.994 445 E CA 1.336 57.848 56.400 0.186 0.000 0.801 445 E CB -0.204 29.571 29.700 0.125 0.000 0.743 445 E HN 0.544 nan 8.360 nan 0.000 0.453 446 A N 0.690 123.571 122.820 0.102 0.000 1.968 446 A HA -0.110 4.208 4.320 -0.003 0.000 0.217 446 A C 2.283 179.966 177.584 0.166 0.000 1.169 446 A CA 1.470 53.531 52.037 0.040 0.000 0.638 446 A CB -0.456 18.519 19.000 -0.041 0.000 0.812 446 A HN 0.147 nan 8.150 nan 0.000 0.446 447 T N -0.666 113.984 114.554 0.160 0.000 2.809 447 T HA 0.371 4.719 4.350 -0.003 0.000 0.260 447 T C 1.329 176.018 174.700 -0.018 0.000 1.039 447 T CA 1.263 63.416 62.100 0.088 0.000 1.141 447 T CB -0.687 68.210 68.868 0.050 0.000 0.869 447 T HN 1.531 nan 8.240 nan 0.000 0.437 448 G N 0.398 109.123 108.800 -0.124 0.000 2.796 448 G HA2 -0.075 3.884 3.960 -0.003 0.000 0.226 448 G HA3 -0.075 3.884 3.960 -0.003 0.000 0.226 448 G C -0.656 174.084 174.900 -0.268 0.000 1.381 448 G CA -0.373 44.424 45.100 -0.505 0.000 0.867 448 G HN 0.851 nan 8.290 nan 0.000 0.552 449 V N 0.068 119.841 119.914 -0.234 0.000 2.876 449 V HA 0.825 4.944 4.120 -0.003 0.000 0.312 449 V C 0.592 176.626 176.094 -0.100 0.000 1.085 449 V CA -0.391 61.844 62.300 -0.108 0.000 0.945 449 V CB 1.792 33.623 31.823 0.014 0.000 1.017 449 V HN 1.175 nan 8.190 nan 0.000 0.428 450 R N 3.604 124.051 120.500 -0.088 0.000 2.441 450 R HA 0.586 4.924 4.340 -0.003 0.000 0.284 450 R C -1.389 174.845 176.300 -0.110 0.000 1.070 450 R CA -0.394 55.651 56.100 -0.092 0.000 1.047 450 R CB 1.157 31.403 30.300 -0.090 0.000 1.016 450 R HN 0.637 nan 8.270 nan 0.000 0.477 451 L N 3.266 124.407 121.223 -0.137 0.000 2.385 451 L HA 0.273 4.612 4.340 -0.003 0.000 0.273 451 L C -1.075 175.729 176.870 -0.109 0.000 0.990 451 L CA -0.403 54.306 54.840 -0.217 0.000 0.821 451 L CB 1.879 43.774 42.059 -0.272 0.000 1.279 451 L HN 0.591 nan 8.230 nan 0.000 0.412 452 D N 3.711 124.060 120.400 -0.085 0.000 2.470 452 D HA 0.084 4.722 4.640 -0.003 0.000 0.226 452 D C 1.042 177.378 176.300 0.060 0.000 1.196 452 D CA 0.173 54.171 54.000 -0.003 0.000 0.979 452 D CB 0.808 41.599 40.800 -0.016 0.000 1.059 452 D HN 0.414 nan 8.370 nan 0.000 0.515 453 V N 3.775 123.706 119.914 0.029 0.000 2.261 453 V HA -0.258 3.860 4.120 -0.003 0.000 0.246 453 V C 2.515 178.641 176.094 0.053 0.000 1.047 453 V CA 2.093 64.411 62.300 0.031 0.000 1.015 453 V CB -0.669 31.164 31.823 0.017 0.000 0.642 453 V HN 0.633 nan 8.190 nan 0.000 0.446 454 A N -0.994 121.863 122.820 0.061 0.000 1.940 454 A HA -0.298 4.020 4.320 -0.003 0.000 0.219 454 A C 2.153 179.786 177.584 0.081 0.000 1.176 454 A CA 2.250 54.321 52.037 0.057 0.000 0.631 454 A CB -0.813 18.221 19.000 0.055 0.000 0.814 454 A HN 0.688 nan 8.150 nan 0.000 0.446 455 Y N 0.412 120.709 120.300 -0.005 0.000 2.145 455 Y HA -0.172 4.376 4.550 -0.003 0.000 0.286 455 Y C 1.958 177.858 175.900 0.001 0.000 1.145 455 Y CA 1.962 60.062 58.100 0.000 0.000 1.148 455 Y CB -0.306 38.155 38.460 0.002 0.000 0.981 455 Y HN 0.212 nan 8.280 nan 0.000 0.507 456 L N -0.351 120.874 121.223 0.003 0.000 2.093 456 L HA -0.202 4.136 4.340 -0.003 0.000 0.208 456 L C 2.617 179.430 176.870 -0.095 0.000 1.085 456 L CA 0.913 55.704 54.840 -0.083 0.000 0.755 456 L CB -0.494 41.580 42.059 0.026 0.000 0.904 456 L HN 0.152 nan 8.230 nan 0.000 0.435 457 R N 0.254 120.724 120.500 -0.050 0.000 2.091 457 R HA -0.141 4.197 4.340 -0.003 0.000 0.238 457 R C 2.248 178.505 176.300 -0.071 0.000 1.136 457 R CA 1.615 57.688 56.100 -0.045 0.000 0.959 457 R CB -0.940 29.349 30.300 -0.019 0.000 0.856 457 R HN 0.365 nan 8.270 nan 0.000 0.437 458 A N 0.806 123.566 122.820 -0.100 0.000 1.897 458 A HA -0.083 4.235 4.320 -0.003 0.000 0.215 458 A C 2.208 179.699 177.584 -0.155 0.000 1.181 458 A CA 0.812 52.783 52.037 -0.109 0.000 0.620 458 A CB -0.456 18.486 19.000 -0.097 0.000 0.821 458 A HN 0.214 nan 8.150 nan 0.000 0.443 459 L N -0.126 120.940 121.223 -0.262 0.000 2.083 459 L HA -0.105 4.233 4.340 -0.003 0.000 0.209 459 L C 2.562 179.348 176.870 -0.140 0.000 1.083 459 L CA 2.363 57.049 54.840 -0.257 0.000 0.752 459 L CB -0.652 41.167 42.059 -0.399 0.000 0.899 459 L HN 0.356 nan 8.230 nan 0.000 0.433 460 S N -0.729 114.904 115.700 -0.111 0.000 2.365 460 S HA -0.213 4.255 4.470 -0.003 0.000 0.225 460 S C 2.018 176.583 174.600 -0.058 0.000 1.039 460 S CA 1.906 60.065 58.200 -0.068 0.000 1.033 460 S CB -0.434 62.735 63.200 -0.051 0.000 0.887 460 S HN 0.518 nan 8.310 nan 0.000 0.447 461 L N 0.874 122.062 121.223 -0.058 0.000 2.141 461 L HA -0.074 4.264 4.340 -0.003 0.000 0.209 461 L C 2.709 179.553 176.870 -0.044 0.000 1.094 461 L CA 1.715 56.529 54.840 -0.044 0.000 0.763 461 L CB -0.598 41.438 42.059 -0.038 0.000 0.908 461 L HN 0.487 nan 8.230 nan 0.000 0.437 462 E N 0.399 120.566 120.200 -0.055 0.000 2.017 462 E HA -0.198 4.151 4.350 -0.003 0.000 0.193 462 E C 2.210 178.783 176.600 -0.044 0.000 0.997 462 E CA 1.672 58.043 56.400 -0.049 0.000 0.804 462 E CB 0.063 29.726 29.700 -0.062 0.000 0.757 462 E HN 0.193 nan 8.360 nan 0.000 0.448 463 V N 1.293 121.175 119.914 -0.052 0.000 2.407 463 V HA -0.268 3.851 4.120 -0.003 0.000 0.248 463 V C 2.420 178.485 176.094 -0.049 0.000 1.055 463 V CA 1.698 63.968 62.300 -0.050 0.000 1.049 463 V CB -0.834 30.957 31.823 -0.054 0.000 0.662 463 V HN 0.474 nan 8.190 nan 0.000 0.455 464 A N -0.305 122.488 122.820 -0.045 0.000 1.908 464 A HA -0.269 4.049 4.320 -0.003 0.000 0.218 464 A C 2.206 179.773 177.584 -0.027 0.000 1.181 464 A CA 2.028 54.043 52.037 -0.037 0.000 0.627 464 A CB -0.457 18.525 19.000 -0.030 0.000 0.818 464 A HN 0.617 nan 8.150 nan 0.000 0.445 465 E N -1.035 119.150 120.200 -0.026 0.000 2.072 465 E HA -0.209 4.140 4.350 -0.003 0.000 0.191 465 E C 2.083 178.672 176.600 -0.019 0.000 0.985 465 E CA 1.244 57.633 56.400 -0.019 0.000 0.801 465 E CB -0.080 29.609 29.700 -0.018 0.000 0.750 465 E HN 0.681 nan 8.360 nan 0.000 0.452 466 E N 1.130 121.316 120.200 -0.023 0.000 2.106 466 E HA -0.139 4.209 4.350 -0.003 0.000 0.192 466 E C 1.794 178.385 176.600 -0.016 0.000 0.984 466 E CA 0.875 57.263 56.400 -0.020 0.000 0.806 466 E CB -0.157 29.529 29.700 -0.023 0.000 0.750 466 E HN 0.241 nan 8.360 nan 0.000 0.458 467 I N 0.306 120.862 120.570 -0.023 0.000 2.226 467 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 467 I C 2.299 178.432 176.117 0.027 0.000 1.100 467 I CA 1.064 62.362 61.300 -0.004 0.000 1.374 467 I CB -0.389 37.579 38.000 -0.054 0.000 1.057 467 I HN 0.205 nan 8.210 nan 0.000 0.413 468 A N 0.832 123.650 122.820 -0.002 0.000 1.972 468 A HA -0.186 4.132 4.320 -0.003 0.000 0.219 468 A C 2.359 179.914 177.584 -0.048 0.000 1.169 468 A CA 1.327 53.353 52.037 -0.018 0.000 0.635 468 A CB -0.473 18.522 19.000 -0.008 0.000 0.810 468 A HN 0.332 nan 8.150 nan 0.000 0.446 469 R N -0.500 119.979 120.500 -0.036 0.000 2.066 469 R HA -0.006 4.333 4.340 -0.003 0.000 0.232 469 R C 2.043 178.298 176.300 -0.074 0.000 1.131 469 R CA 1.471 57.545 56.100 -0.044 0.000 0.955 469 R CB -0.561 29.723 30.300 -0.026 0.000 0.851 469 R HN 0.480 nan 8.270 nan 0.000 0.432 470 L N 0.627 121.817 121.223 -0.055 0.000 2.046 470 L HA -0.191 4.147 4.340 -0.003 0.000 0.208 470 L C 2.629 179.355 176.870 -0.240 0.000 1.077 470 L CA 1.428 56.225 54.840 -0.073 0.000 0.747 470 L CB -0.451 41.634 42.059 0.044 0.000 0.896 470 L HN 0.304 nan 8.230 nan 0.000 0.432 471 E N 0.294 120.319 120.200 -0.292 0.000 2.077 471 E HA -0.243 4.106 4.350 -0.003 0.000 0.193 471 E C 2.221 178.265 176.600 -0.926 0.000 0.989 471 E CA 1.181 57.147 56.400 -0.723 0.000 0.800 471 E CB 0.017 29.456 29.700 -0.434 0.000 0.746 471 E HN 0.462 nan 8.360 nan 0.000 0.452 472 A N 1.030 123.609 122.820 -0.401 0.000 1.873 472 A HA -0.211 4.107 4.320 -0.003 0.000 0.215 472 A C 1.950 179.435 177.584 -0.165 0.000 1.186 472 A CA 1.586 53.503 52.037 -0.199 0.000 0.616 472 A CB -0.481 18.477 19.000 -0.069 0.000 0.823 472 A HN 0.304 nan 8.150 nan 0.000 0.442 473 E N -0.308 119.792 120.200 -0.167 0.000 2.031 473 E HA -0.137 4.211 4.350 -0.003 0.000 0.193 473 E C 2.029 178.564 176.600 -0.108 0.000 0.994 473 E CA 1.381 57.723 56.400 -0.098 0.000 0.800 473 E CB -0.346 29.310 29.700 -0.074 0.000 0.752 473 E HN 0.368 nan 8.360 nan 0.000 0.447 474 V N 1.166 120.936 119.914 -0.240 0.000 2.324 474 V HA -0.268 3.850 4.120 -0.003 0.000 0.250 474 V C 2.074 178.160 176.094 -0.013 0.000 1.060 474 V CA 1.722 63.902 62.300 -0.199 0.000 1.042 474 V CB -0.569 30.999 31.823 -0.425 0.000 0.650 474 V HN 0.195 nan 8.190 nan 0.000 0.450 475 F N 0.203 120.077 119.950 -0.127 0.000 2.259 475 F HA -0.013 4.512 4.527 -0.002 0.000 0.298 475 F C 2.468 178.243 175.800 -0.042 0.000 1.088 475 F CA 1.228 59.161 58.000 -0.111 0.000 1.358 475 F CB -1.002 37.912 39.000 -0.142 0.000 1.040 475 F HN 0.086 nan 8.300 nan 0.000 0.505 476 R N 0.815 121.401 120.500 0.143 0.000 2.073 476 R HA -0.149 4.190 4.340 -0.003 0.000 0.234 476 R C 2.061 178.421 176.300 0.100 0.000 1.134 476 R CA 1.449 57.608 56.100 0.098 0.000 0.952 476 R CB -0.502 29.831 30.300 0.056 0.000 0.850 476 R HN 0.286 nan 8.270 nan 0.000 0.433 477 L N 0.126 121.408 121.223 0.099 0.000 2.217 477 L HA -0.016 4.322 4.340 -0.003 0.000 0.211 477 L C 2.523 179.465 176.870 0.120 0.000 1.107 477 L CA 0.969 55.885 54.840 0.127 0.000 0.783 477 L CB -0.292 41.861 42.059 0.156 0.000 0.919 477 L HN 0.307 nan 8.230 nan 0.000 0.442 478 A N -0.447 122.441 122.820 0.113 0.000 2.123 478 A HA 0.221 4.539 4.320 -0.003 0.000 0.214 478 A C 1.874 179.540 177.584 0.137 0.000 1.152 478 A CA 0.833 52.910 52.037 0.065 0.000 0.728 478 A CB -0.413 18.600 19.000 0.022 0.000 0.814 478 A HN 0.481 nan 8.150 nan 0.000 0.464 479 G N -0.844 108.039 108.800 0.138 0.000 2.143 479 G HA2 -0.202 3.757 3.960 -0.003 0.000 0.248 479 G HA3 -0.202 3.757 3.960 -0.003 0.000 0.248 479 G C 0.065 175.109 174.900 0.240 0.000 0.991 479 G CA 1.204 46.405 45.100 0.168 0.000 0.689 479 G HN 2.138 nan 8.290 nan 0.000 0.522 480 H N -3.809 115.307 119.070 0.076 0.000 3.020 480 H HA 0.578 5.132 4.556 -0.003 0.000 0.303 480 H C -3.429 171.856 175.328 -0.071 0.000 1.332 480 H CA -1.314 54.738 56.048 0.006 0.000 1.282 480 H CB 0.131 29.889 29.762 -0.007 0.000 1.928 480 H HN 0.125 nan 8.280 nan 0.000 0.519 481 P HA 0.346 nan 4.420 nan 0.000 0.274 481 P C -1.093 175.904 177.300 -0.506 0.000 1.231 481 P CA -0.224 62.245 63.100 -1.051 0.000 0.790 481 P CB 0.439 31.701 31.700 -0.731 0.000 0.951 482 F N -1.458 117.982 119.950 -0.850 0.000 2.817 482 F HA 0.486 5.011 4.527 -0.003 0.000 0.317 482 F C -0.954 174.773 175.800 -0.121 0.000 1.168 482 F CA -1.351 56.478 58.000 -0.284 0.000 0.911 482 F CB 0.729 39.654 39.000 -0.125 0.000 1.337 482 F HN -0.013 nan 8.300 nan 0.000 0.464 483 N N 2.108 120.871 118.700 0.105 0.000 2.421 483 N HA 0.107 4.845 4.740 -0.003 0.000 0.260 483 N C 0.456 176.001 175.510 0.058 0.000 1.173 483 N CA -0.197 52.882 53.050 0.048 0.000 0.960 483 N CB 0.866 39.412 38.487 0.099 0.000 1.273 483 N HN 0.840 nan 8.380 nan 0.000 0.497 484 L N 3.666 124.762 121.223 -0.213 0.000 2.353 484 L HA 0.025 4.363 4.340 -0.003 0.000 0.220 484 L C 1.150 178.048 176.870 0.047 0.000 1.133 484 L CA 1.284 55.972 54.840 -0.254 0.000 0.798 484 L CB -0.428 41.161 42.059 -0.784 0.000 0.922 484 L HN 0.490 nan 8.230 nan 0.000 0.445 485 N N -1.479 117.302 118.700 0.134 0.000 2.446 485 N HA -0.017 4.721 4.740 -0.003 0.000 0.179 485 N C 0.631 176.223 175.510 0.137 0.000 1.054 485 N CA 0.466 53.624 53.050 0.180 0.000 0.905 485 N CB 0.024 38.600 38.487 0.149 0.000 0.973 485 N HN 0.243 nan 8.380 nan 0.000 0.448 486 S N 1.161 116.946 115.700 0.141 0.000 2.400 486 S HA 0.180 4.649 4.470 -0.003 0.000 0.295 486 S C 1.274 175.952 174.600 0.130 0.000 1.113 486 S CA -0.758 57.517 58.200 0.126 0.000 1.064 486 S CB 0.685 63.961 63.200 0.127 0.000 0.990 486 S HN 0.229 nan 8.310 nan 0.000 0.502 487 R N 4.062 124.623 120.500 0.102 0.000 2.152 487 R HA -0.003 4.336 4.340 -0.003 0.000 0.232 487 R C 1.002 177.347 176.300 0.075 0.000 1.117 487 R CA 1.572 57.727 56.100 0.092 0.000 0.981 487 R CB -0.670 29.680 30.300 0.084 0.000 0.870 487 R HN 0.420 nan 8.270 nan 0.000 0.451 488 D N 1.046 121.487 120.400 0.069 0.000 2.097 488 D HA -0.139 4.499 4.640 -0.003 0.000 0.195 488 D C 1.945 178.263 176.300 0.029 0.000 0.989 488 D CA 1.465 55.496 54.000 0.052 0.000 0.827 488 D CB -0.220 40.608 40.800 0.046 0.000 0.966 488 D HN 0.468 nan 8.370 nan 0.000 0.456 489 Q N -0.299 119.529 119.800 0.045 0.000 2.119 489 Q HA -0.086 4.253 4.340 -0.003 0.000 0.201 489 Q C 2.166 178.082 176.000 -0.139 0.000 0.972 489 Q CA 0.399 56.200 55.803 -0.003 0.000 0.847 489 Q CB -0.055 28.761 28.738 0.130 0.000 0.903 489 Q HN 0.167 nan 8.270 nan 0.000 0.433 490 L N 1.451 122.665 121.223 -0.015 0.000 2.046 490 L HA -0.216 4.122 4.340 -0.003 0.000 0.208 490 L C 2.235 178.977 176.870 -0.213 0.000 1.077 490 L CA 1.956 56.747 54.840 -0.082 0.000 0.747 490 L CB -0.527 41.573 42.059 0.068 0.000 0.896 490 L HN 0.227 nan 8.230 nan 0.000 0.432 491 E N -0.690 119.446 120.200 -0.107 0.000 2.058 491 E HA -0.326 4.022 4.350 -0.003 0.000 0.194 491 E C 2.335 178.871 176.600 -0.106 0.000 0.997 491 E CA 1.371 57.730 56.400 -0.069 0.000 0.801 491 E CB -0.081 29.704 29.700 0.141 0.000 0.746 491 E HN 0.363 nan 8.360 nan 0.000 0.450 492 R N 0.015 120.463 120.500 -0.086 0.000 2.094 492 R HA -0.152 4.186 4.340 -0.003 0.000 0.239 492 R C 2.429 178.623 176.300 -0.176 0.000 1.137 492 R CA 1.664 57.710 56.100 -0.090 0.000 0.943 492 R CB -0.672 29.571 30.300 -0.096 0.000 0.850 492 R HN 0.123 nan 8.270 nan 0.000 0.433 493 V N 0.697 120.426 119.914 -0.307 0.000 2.287 493 V HA -0.256 3.862 4.120 -0.003 0.000 0.248 493 V C 2.230 178.127 176.094 -0.328 0.000 1.053 493 V CA 1.876 63.964 62.300 -0.354 0.000 1.027 493 V CB -0.460 30.976 31.823 -0.644 0.000 0.646 493 V HN 0.287 nan 8.190 nan 0.000 0.447 494 L N -1.491 119.454 121.223 -0.463 0.000 2.044 494 L HA -0.086 4.252 4.340 -0.003 0.000 0.205 494 L C 2.276 178.866 176.870 -0.467 0.000 1.075 494 L CA 1.635 56.116 54.840 -0.597 0.000 0.747 494 L CB -0.428 41.043 42.059 -0.979 0.000 0.903 494 L HN 0.299 nan 8.230 nan 0.000 0.435 495 F N -1.344 118.568 119.950 -0.063 0.000 2.656 495 F HA 0.051 4.575 4.527 -0.003 0.000 0.291 495 F C 1.911 177.685 175.800 -0.043 0.000 1.122 495 F CA 0.046 58.020 58.000 -0.043 0.000 1.427 495 F CB -0.304 38.678 39.000 -0.029 0.000 1.125 495 F HN -0.000 nan 8.300 nan 0.000 0.583 496 D N -0.138 120.303 120.400 0.069 0.000 2.490 496 D HA 0.009 4.647 4.640 -0.003 0.000 0.244 496 D C 1.888 178.180 176.300 -0.015 0.000 0.979 496 D CA 0.806 54.823 54.000 0.028 0.000 0.924 496 D CB -0.044 40.763 40.800 0.011 0.000 1.075 496 D HN 0.242 nan 8.370 nan 0.000 0.488 497 E N 0.240 120.407 120.200 -0.055 0.000 2.060 497 E HA 0.098 4.447 4.350 -0.003 0.000 0.189 497 E C 0.655 177.225 176.600 -0.049 0.000 0.974 497 E CA 0.262 56.629 56.400 -0.054 0.000 0.808 497 E CB 0.494 30.158 29.700 -0.059 0.000 0.768 497 E HN 0.137 nan 8.360 nan 0.000 0.453 498 L N 0.094 121.261 121.223 -0.092 0.000 2.439 498 L HA 0.245 4.583 4.340 -0.003 0.000 0.259 498 L C 1.390 178.242 176.870 -0.029 0.000 1.129 498 L CA -0.255 54.527 54.840 -0.096 0.000 0.803 498 L CB 0.706 42.620 42.059 -0.240 0.000 1.161 498 L HN 0.126 nan 8.230 nan 0.000 0.462 499 G N 1.435 110.241 108.800 0.011 0.000 3.088 499 G HA2 0.178 4.136 3.960 -0.003 0.000 0.212 499 G HA3 0.178 4.136 3.960 -0.003 0.000 0.212 499 G C 0.586 175.537 174.900 0.085 0.000 1.173 499 G CA -0.413 44.717 45.100 0.050 0.000 0.779 499 G HN 0.293 nan 8.290 nan 0.000 0.540 500 L N 1.650 122.927 121.223 0.090 0.000 2.543 500 L HA 0.150 4.488 4.340 -0.003 0.000 0.285 500 L C -1.843 175.187 176.870 0.266 0.000 1.236 500 L CA -1.158 53.779 54.840 0.161 0.000 0.871 500 L CB 0.212 42.343 42.059 0.122 0.000 1.121 500 L HN 0.023 nan 8.230 nan 0.000 0.501 501 P HA 0.234 nan 4.420 nan 0.000 0.287 501 P C -0.714 176.588 177.300 0.003 0.000 1.281 501 P CA -0.495 62.655 63.100 0.084 0.000 0.781 501 P CB 1.290 33.017 31.700 0.046 0.000 0.903 502 A N 3.944 126.580 122.820 -0.306 0.000 2.425 502 A HA 0.266 4.584 4.320 -0.003 0.000 0.249 502 A C 1.153 178.558 177.584 -0.298 0.000 1.084 502 A CA -0.171 51.435 52.037 -0.718 0.000 0.781 502 A CB -0.365 18.074 19.000 -0.934 0.000 1.019 502 A HN 0.561 nan 8.150 nan 0.000 0.490 503 I N 1.501 121.939 120.570 -0.219 0.000 3.098 503 I HA 0.227 4.395 4.170 -0.003 0.000 0.241 503 I C 1.503 177.566 176.117 -0.089 0.000 1.081 503 I CA 0.812 62.057 61.300 -0.092 0.000 1.487 503 I CB -0.281 37.710 38.000 -0.015 0.000 1.366 503 I HN 0.678 nan 8.210 nan 0.000 0.463 504 G N 0.475 109.231 108.800 -0.073 0.000 2.788 504 G HA2 0.569 4.527 3.960 -0.003 0.000 0.293 504 G HA3 0.569 4.527 3.960 -0.003 0.000 0.293 504 G C -1.083 173.780 174.900 -0.061 0.000 1.305 504 G CA -0.417 44.654 45.100 -0.049 0.000 1.005 504 G HN -0.051 nan 8.290 nan 0.000 0.496 505 K N -0.439 119.940 120.400 -0.035 0.000 2.350 505 K HA 0.543 4.861 4.320 -0.003 0.000 0.241 505 K C -0.134 176.465 176.600 -0.001 0.000 0.994 505 K CA -0.619 55.652 56.287 -0.027 0.000 0.839 505 K CB 1.999 34.480 32.500 -0.032 0.000 1.244 505 K HN 0.692 nan 8.250 nan 0.000 0.443 506 T N -1.686 112.873 114.554 0.008 0.000 2.904 506 T HA 0.065 4.413 4.350 -0.003 0.000 0.290 506 T C 1.141 175.847 174.700 0.012 0.000 1.018 506 T CA -0.412 61.699 62.100 0.018 0.000 1.075 506 T CB 1.433 70.317 68.868 0.027 0.000 0.986 506 T HN 0.661 nan 8.240 nan 0.000 0.523 507 E N 1.317 121.524 120.200 0.013 0.000 2.017 507 E HA -0.121 4.227 4.350 -0.003 0.000 0.193 507 E C 1.889 178.494 176.600 0.008 0.000 0.997 507 E CA 1.526 57.932 56.400 0.009 0.000 0.804 507 E CB -0.107 29.599 29.700 0.008 0.000 0.757 507 E HN 0.593 nan 8.360 nan 0.000 0.448 508 K N -0.566 119.839 120.400 0.010 0.000 2.044 508 K HA -0.002 4.316 4.320 -0.003 0.000 0.204 508 K C 2.326 178.931 176.600 0.008 0.000 1.049 508 K CA 1.864 58.157 56.287 0.009 0.000 0.945 508 K CB -0.703 31.803 32.500 0.010 0.000 0.724 508 K HN 0.455 nan 8.250 nan 0.000 0.440 509 T N -3.217 111.344 114.554 0.011 0.000 3.022 509 T HA 0.227 4.576 4.350 -0.003 0.000 0.250 509 T C 1.211 175.916 174.700 0.008 0.000 1.060 509 T CA 0.577 62.683 62.100 0.011 0.000 1.013 509 T CB 0.348 69.225 68.868 0.015 0.000 0.982 509 T HN 0.318 nan 8.240 nan 0.000 0.508 510 G N 1.979 110.783 108.800 0.007 0.000 2.176 510 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.252 510 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.252 510 G C -0.113 174.787 174.900 0.000 0.000 1.024 510 G CA 0.173 45.273 45.100 0.001 0.000 0.755 510 G HN 0.675 nan 8.290 nan 0.000 0.507 511 K N -0.377 120.030 120.400 0.012 0.000 2.168 511 K HA 0.418 4.736 4.320 -0.003 0.000 0.258 511 K C 0.913 177.520 176.600 0.011 0.000 1.010 511 K CA -0.697 55.602 56.287 0.021 0.000 0.929 511 K CB 0.755 33.281 32.500 0.043 0.000 0.998 511 K HN 0.246 nan 8.250 nan 0.000 0.479 512 R N 1.196 121.699 120.500 0.005 0.000 2.404 512 R HA -0.009 4.329 4.340 -0.003 0.000 0.315 512 R C 0.234 176.585 176.300 0.084 0.000 1.032 512 R CA 0.001 56.063 56.100 -0.064 0.000 0.992 512 R CB 0.541 30.697 30.300 -0.240 0.000 0.959 512 R HN 0.451 nan 8.270 nan 0.000 0.428 513 S N 1.397 117.127 115.700 0.048 0.000 2.572 513 S HA 0.018 4.486 4.470 -0.003 0.000 0.279 513 S C 0.990 175.731 174.600 0.234 0.000 1.341 513 S CA -0.256 58.013 58.200 0.115 0.000 1.043 513 S CB 0.676 63.916 63.200 0.067 0.000 0.887 513 S HN 0.711 nan 8.310 nan 0.000 0.516 514 T N 0.673 115.346 114.554 0.198 0.000 3.266 514 T HA 0.324 4.673 4.350 -0.003 0.000 0.278 514 T C 0.503 175.278 174.700 0.125 0.000 1.010 514 T CA -0.097 62.115 62.100 0.187 0.000 0.909 514 T CB -0.586 68.354 68.868 0.119 0.000 1.122 514 T HN 0.631 nan 8.240 nan 0.000 0.536 515 S N 0.635 116.402 115.700 0.111 0.000 2.596 515 S HA 0.584 5.052 4.470 -0.003 0.000 0.260 515 S C 1.923 176.573 174.600 0.083 0.000 1.336 515 S CA -0.224 58.027 58.200 0.085 0.000 0.993 515 S CB 0.596 63.838 63.200 0.071 0.000 0.923 515 S HN 0.524 nan 8.310 nan 0.000 0.567 516 A N 1.614 124.476 122.820 0.071 0.000 1.908 516 A HA 0.106 4.424 4.320 -0.003 0.000 0.218 516 A C 2.483 180.107 177.584 0.068 0.000 1.181 516 A CA 2.003 54.080 52.037 0.067 0.000 0.627 516 A CB -1.819 17.215 19.000 0.058 0.000 0.818 516 A HN 1.433 nan 8.150 nan 0.000 0.445 517 A N -0.642 122.217 122.820 0.065 0.000 1.917 517 A HA -0.082 4.236 4.320 -0.003 0.000 0.219 517 A C 2.254 179.880 177.584 0.072 0.000 1.182 517 A CA 2.081 54.157 52.037 0.065 0.000 0.633 517 A CB -0.940 18.096 19.000 0.061 0.000 0.819 517 A HN 0.436 nan 8.150 nan 0.000 0.448 518 V N -0.195 119.768 119.914 0.083 0.000 2.379 518 V HA -0.196 3.922 4.120 -0.003 0.000 0.245 518 V C 2.542 178.703 176.094 0.112 0.000 1.044 518 V CA 1.777 64.138 62.300 0.102 0.000 1.036 518 V CB -0.680 31.224 31.823 0.136 0.000 0.664 518 V HN 0.564 nan 8.190 nan 0.000 0.453 519 L N -0.352 120.932 121.223 0.103 0.000 2.046 519 L HA -0.183 4.156 4.340 -0.003 0.000 0.208 519 L C 2.544 179.460 176.870 0.077 0.000 1.077 519 L CA 1.637 56.531 54.840 0.089 0.000 0.747 519 L CB -0.646 41.458 42.059 0.076 0.000 0.896 519 L HN 0.367 nan 8.230 nan 0.000 0.432 520 E N 0.241 120.483 120.200 0.070 0.000 2.118 520 E HA -0.226 4.122 4.350 -0.003 0.000 0.195 520 E C 2.255 178.892 176.600 0.061 0.000 0.992 520 E CA 1.188 57.625 56.400 0.061 0.000 0.804 520 E CB -0.163 29.571 29.700 0.056 0.000 0.741 520 E HN 0.506 nan 8.360 nan 0.000 0.458 521 A N 0.318 123.177 122.820 0.066 0.000 2.066 521 A HA -0.084 4.234 4.320 -0.003 0.000 0.218 521 A C 1.672 179.297 177.584 0.069 0.000 1.157 521 A CA 0.848 52.923 52.037 0.063 0.000 0.670 521 A CB 0.085 19.123 19.000 0.062 0.000 0.804 521 A HN 0.094 nan 8.150 nan 0.000 0.453 522 L N -0.827 120.444 121.223 0.081 0.000 2.700 522 L HA 0.274 4.612 4.340 -0.003 0.000 0.234 522 L C 1.841 178.759 176.870 0.081 0.000 1.156 522 L CA 0.369 55.263 54.840 0.090 0.000 0.946 522 L CB -0.489 41.639 42.059 0.115 0.000 1.216 522 L HN 0.453 nan 8.230 nan 0.000 0.493 523 R N 0.416 120.957 120.500 0.068 0.000 2.159 523 R HA -0.136 4.202 4.340 -0.003 0.000 0.237 523 R C 0.800 177.133 176.300 0.056 0.000 1.131 523 R CA 1.504 57.640 56.100 0.060 0.000 0.982 523 R CB 0.255 30.585 30.300 0.050 0.000 0.868 523 R HN 0.409 nan 8.270 nan 0.000 0.453 524 E N -1.480 118.752 120.200 0.053 0.000 2.651 524 E HA 0.138 4.487 4.350 -0.003 0.000 0.208 524 E C 0.267 176.897 176.600 0.050 0.000 0.997 524 E CA -0.008 56.417 56.400 0.042 0.000 1.020 524 E CB 1.306 31.025 29.700 0.031 0.000 1.052 524 E HN 0.356 nan 8.360 nan 0.000 0.465 525 A N 0.777 123.644 122.820 0.078 0.000 2.195 525 A HA 0.051 4.369 4.320 -0.003 0.000 0.210 525 A C 0.482 178.161 177.584 0.159 0.000 1.165 525 A CA 0.579 52.675 52.037 0.099 0.000 0.806 525 A CB 0.326 19.391 19.000 0.107 0.000 0.847 525 A HN 0.261 nan 8.150 nan 0.000 0.482 526 H N -2.159 116.926 119.070 0.024 0.000 3.120 526 H HA 0.156 4.710 4.556 -0.003 0.000 0.314 526 H C -2.815 172.521 175.328 0.014 0.000 1.151 526 H CA -0.664 55.395 56.048 0.017 0.000 1.404 526 H CB 1.513 31.283 29.762 0.013 0.000 2.031 526 H HN -0.103 nan 8.280 nan 0.000 0.513 527 P HA -0.080 nan 4.420 nan 0.000 0.217 527 P C 1.766 179.147 177.300 0.136 0.000 1.148 527 P CA 0.914 64.017 63.100 0.006 0.000 0.828 527 P CB 0.332 31.977 31.700 -0.091 0.000 0.783 528 I N -0.995 119.786 120.570 0.352 0.000 2.361 528 I HA -0.199 3.969 4.170 -0.003 0.000 0.251 528 I C 1.736 177.909 176.117 0.093 0.000 1.133 528 I CA 1.116 62.530 61.300 0.190 0.000 1.413 528 I CB -0.037 38.038 38.000 0.125 0.000 1.073 528 I HN -0.193 nan 8.210 nan 0.000 0.424 529 V N 0.833 120.811 119.914 0.106 0.000 2.261 529 V HA -0.312 3.806 4.120 -0.003 0.000 0.246 529 V C 2.431 178.559 176.094 0.056 0.000 1.047 529 V CA 2.280 64.618 62.300 0.064 0.000 1.015 529 V CB -0.759 31.108 31.823 0.075 0.000 0.642 529 V HN 0.445 nan 8.190 nan 0.000 0.446 530 E N 0.492 120.726 120.200 0.057 0.000 2.070 530 E HA -0.233 4.115 4.350 -0.003 0.000 0.197 530 E C 2.161 178.786 176.600 0.042 0.000 1.004 530 E CA 1.401 57.828 56.400 0.046 0.000 0.805 530 E CB -0.151 29.572 29.700 0.037 0.000 0.744 530 E HN 0.371 nan 8.360 nan 0.000 0.451 531 K N -0.038 120.383 120.400 0.035 0.000 2.211 531 K HA -0.060 4.258 4.320 -0.003 0.000 0.203 531 K C 2.221 178.847 176.600 0.043 0.000 1.050 531 K CA 0.911 57.213 56.287 0.025 0.000 0.945 531 K CB -0.283 32.214 32.500 -0.006 0.000 0.732 531 K HN 0.339 nan 8.250 nan 0.000 0.451 532 I N 0.698 121.292 120.570 0.039 0.000 2.286 532 I HA -0.215 3.953 4.170 -0.003 0.000 0.245 532 I C 2.204 178.390 176.117 0.115 0.000 1.104 532 I CA 0.713 62.050 61.300 0.062 0.000 1.397 532 I CB -0.221 37.800 38.000 0.034 0.000 1.072 532 I HN -0.008 nan 8.210 nan 0.000 0.417 533 L N 0.136 121.408 121.223 0.082 0.000 2.012 533 L HA -0.270 4.068 4.340 -0.003 0.000 0.210 533 L C 2.654 179.567 176.870 0.072 0.000 1.073 533 L CA 1.642 56.527 54.840 0.075 0.000 0.748 533 L CB -0.591 41.503 42.059 0.058 0.000 0.891 533 L HN 0.313 nan 8.230 nan 0.000 0.431 534 Q N -1.372 118.469 119.800 0.068 0.000 2.119 534 Q HA -0.250 4.088 4.340 -0.003 0.000 0.201 534 Q C 2.087 178.122 176.000 0.058 0.000 0.972 534 Q CA 1.761 57.594 55.803 0.051 0.000 0.847 534 Q CB -0.298 28.465 28.738 0.040 0.000 0.903 534 Q HN 0.476 nan 8.270 nan 0.000 0.433 535 Y N 1.404 121.685 120.300 -0.031 0.000 2.181 535 Y HA -0.215 4.333 4.550 -0.003 0.000 0.288 535 Y C 2.192 178.078 175.900 -0.023 0.000 1.146 535 Y CA 1.389 59.462 58.100 -0.045 0.000 1.164 535 Y CB 0.154 38.568 38.460 -0.077 0.000 0.982 535 Y HN -0.074 nan 8.280 nan 0.000 0.515 536 R N 0.497 121.058 120.500 0.103 0.000 2.073 536 R HA -0.209 4.129 4.340 -0.003 0.000 0.234 536 R C 2.268 178.544 176.300 -0.039 0.000 1.134 536 R CA 1.783 57.905 56.100 0.036 0.000 0.952 536 R CB -0.705 29.649 30.300 0.090 0.000 0.850 536 R HN 0.575 nan 8.270 nan 0.000 0.433 537 E N 0.496 120.685 120.200 -0.017 0.000 2.031 537 E HA -0.196 4.152 4.350 -0.003 0.000 0.193 537 E C 1.967 178.538 176.600 -0.049 0.000 0.994 537 E CA 1.109 57.500 56.400 -0.015 0.000 0.800 537 E CB 0.012 29.711 29.700 -0.001 0.000 0.752 537 E HN 0.046 nan 8.360 nan 0.000 0.447 538 L N 0.864 122.030 121.223 -0.096 0.000 2.046 538 L HA -0.175 4.164 4.340 -0.003 0.000 0.208 538 L C 2.822 179.595 176.870 -0.162 0.000 1.077 538 L CA 2.293 57.062 54.840 -0.117 0.000 0.747 538 L CB -0.985 40.994 42.059 -0.133 0.000 0.896 538 L HN 0.400 nan 8.230 nan 0.000 0.432 539 T N -3.478 110.900 114.554 -0.292 0.000 2.857 539 T HA -0.202 4.146 4.350 -0.003 0.000 0.266 539 T C 1.953 176.572 174.700 -0.136 0.000 1.048 539 T CA 1.148 63.075 62.100 -0.288 0.000 1.139 539 T CB -0.205 68.362 68.868 -0.502 0.000 0.874 539 T HN 0.026 nan 8.240 nan 0.000 0.455 540 K N 1.636 121.984 120.400 -0.087 0.000 2.009 540 K HA 0.058 4.377 4.320 -0.003 0.000 0.210 540 K C 2.218 178.843 176.600 0.042 0.000 1.049 540 K CA 1.451 57.729 56.287 -0.015 0.000 0.929 540 K CB -0.921 31.593 32.500 0.025 0.000 0.714 540 K HN 0.457 nan 8.250 nan 0.000 0.440 541 L N 0.286 121.565 121.223 0.093 0.000 2.093 541 L HA -0.091 4.247 4.340 -0.003 0.000 0.208 541 L C 2.661 179.633 176.870 0.171 0.000 1.085 541 L CA 1.389 56.369 54.840 0.234 0.000 0.755 541 L CB -0.483 41.656 42.059 0.133 0.000 0.904 541 L HN 0.281 nan 8.230 nan 0.000 0.435 542 K N 0.554 120.977 120.400 0.039 0.000 2.031 542 K HA -0.156 4.163 4.320 -0.003 0.000 0.205 542 K C 2.382 178.972 176.600 -0.016 0.000 1.049 542 K CA 1.662 57.952 56.287 0.005 0.000 0.939 542 K CB 0.022 32.495 32.500 -0.046 0.000 0.717 542 K HN 0.284 nan 8.250 nan 0.000 0.438 543 S N -0.860 114.810 115.700 -0.050 0.000 2.428 543 S HA -0.060 4.409 4.470 -0.003 0.000 0.230 543 S C 1.688 176.214 174.600 -0.123 0.000 1.014 543 S CA 1.429 59.584 58.200 -0.074 0.000 0.957 543 S CB -0.073 63.083 63.200 -0.074 0.000 0.784 543 S HN 0.275 nan 8.310 nan 0.000 0.499 544 T N -0.078 114.357 114.554 -0.198 0.000 3.039 544 T HA 0.305 4.654 4.350 -0.003 0.000 0.250 544 T C 0.733 175.045 174.700 -0.648 0.000 1.052 544 T CA 0.595 62.404 62.100 -0.485 0.000 1.125 544 T CB -0.096 68.337 68.868 -0.725 0.000 0.908 544 T HN 0.591 nan 8.240 nan 0.000 0.473 545 Y N -0.214 120.105 120.300 0.032 0.000 2.817 545 Y HA 0.459 5.007 4.550 -0.002 0.000 0.257 545 Y C 1.985 177.914 175.900 0.048 0.000 1.055 545 Y CA -0.663 57.477 58.100 0.066 0.000 1.319 545 Y CB -0.214 38.305 38.460 0.098 0.000 1.481 545 Y HN -0.045 nan 8.280 nan 0.000 0.471 546 I N 0.819 121.510 120.570 0.203 0.000 2.208 546 I HA -0.293 3.876 4.170 -0.003 0.000 0.245 546 I C 1.396 177.540 176.117 0.044 0.000 1.097 546 I CA 1.885 63.245 61.300 0.100 0.000 1.363 546 I CB -0.228 37.803 38.000 0.051 0.000 1.051 546 I HN 0.292 nan 8.210 nan 0.000 0.413 547 D N 0.163 120.575 120.400 0.020 0.000 2.162 547 D HA -0.032 4.606 4.640 -0.003 0.000 0.205 547 D C -0.387 175.908 176.300 -0.008 0.000 0.964 547 D CA 1.088 55.085 54.000 -0.005 0.000 0.847 547 D CB -1.388 39.398 40.800 -0.022 0.000 0.988 547 D HN 0.272 nan 8.370 nan 0.000 0.480 548 P HA 0.023 nan 4.420 nan 0.000 0.217 548 P C 1.854 179.156 177.300 0.004 0.000 1.154 548 P CA 0.562 63.649 63.100 -0.022 0.000 0.841 548 P CB 0.117 31.788 31.700 -0.048 0.000 0.788 549 L N -0.263 120.984 121.223 0.040 0.000 2.012 549 L HA -0.134 4.205 4.340 -0.003 0.000 0.210 549 L C -0.338 176.550 176.870 0.029 0.000 1.073 549 L CA 2.170 57.045 54.840 0.058 0.000 0.748 549 L CB -2.389 39.725 42.059 0.093 0.000 0.891 549 L HN 0.040 nan 8.230 nan 0.000 0.431 550 P HA -0.142 nan 4.420 nan 0.000 0.219 550 P C 0.692 178.005 177.300 0.023 0.000 1.146 550 P CA 1.290 64.397 63.100 0.012 0.000 0.808 550 P CB -0.037 31.667 31.700 0.007 0.000 0.779 551 D N -1.406 119.000 120.400 0.010 0.000 2.363 551 D HA 0.040 4.679 4.640 -0.003 0.000 0.226 551 D C 1.308 177.607 176.300 -0.002 0.000 1.020 551 D CA 0.596 54.594 54.000 -0.005 0.000 0.892 551 D CB -0.155 40.624 40.800 -0.035 0.000 0.900 551 D HN 0.256 nan 8.370 nan 0.000 0.531 552 L N 0.344 121.595 121.223 0.046 0.000 2.728 552 L HA 0.157 4.496 4.340 -0.003 0.000 0.238 552 L C 0.318 177.392 176.870 0.340 0.000 1.143 552 L CA -0.266 54.639 54.840 0.107 0.000 0.937 552 L CB 0.639 42.752 42.059 0.089 0.000 1.225 552 L HN -0.147 nan 8.230 nan 0.000 0.507 553 I N 0.524 121.246 120.570 0.254 0.000 2.618 553 I HA -0.049 4.119 4.170 -0.003 0.000 0.284 553 I C 0.786 177.138 176.117 0.392 0.000 1.146 553 I CA 0.365 61.828 61.300 0.271 0.000 1.425 553 I CB 0.108 38.191 38.000 0.139 0.000 1.383 553 I HN 0.111 nan 8.210 nan 0.000 0.562 554 H N 8.782 127.994 119.070 0.237 0.000 2.683 554 H HA 0.126 4.680 4.556 -0.003 0.000 0.339 554 H C -1.677 173.650 175.328 -0.002 0.000 1.081 554 H CA -1.270 54.761 56.048 -0.028 0.000 1.432 554 H CB 1.733 31.325 29.762 -0.283 0.000 1.462 554 H HN 0.298 nan 8.280 nan 0.000 0.557 555 P HA -0.082 nan 4.420 nan 0.000 0.216 555 P C 1.260 178.581 177.300 0.035 0.000 1.153 555 P CA 1.420 64.475 63.100 -0.076 0.000 0.848 555 P CB 0.358 31.964 31.700 -0.157 0.000 0.787 556 R N -0.686 119.914 120.500 0.166 0.000 2.057 556 R HA -0.037 4.301 4.340 -0.003 0.000 0.229 556 R C 2.437 178.794 176.300 0.095 0.000 1.136 556 R CA 2.117 58.296 56.100 0.132 0.000 0.952 556 R CB -1.493 28.879 30.300 0.121 0.000 0.848 556 R HN 0.308 nan 8.270 nan 0.000 0.430 557 T N -2.901 111.733 114.554 0.134 0.000 3.014 557 T HA 0.096 4.444 4.350 -0.003 0.000 0.263 557 T C 1.576 176.322 174.700 0.076 0.000 1.078 557 T CA 0.748 62.893 62.100 0.075 0.000 1.135 557 T CB 0.155 69.111 68.868 0.145 0.000 0.895 557 T HN 0.434 nan 8.240 nan 0.000 0.480 558 G N 1.572 110.438 108.800 0.110 0.000 2.153 558 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.252 558 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.252 558 G C 0.120 175.049 174.900 0.049 0.000 0.994 558 G CA 0.374 45.516 45.100 0.069 0.000 0.698 558 G HN 0.767 nan 8.290 nan 0.000 0.521 559 R N -1.781 118.767 120.500 0.080 0.000 2.930 559 R HA 0.776 5.114 4.340 -0.003 0.000 0.257 559 R C -0.910 175.367 176.300 -0.038 0.000 1.107 559 R CA -1.161 54.912 56.100 -0.046 0.000 0.999 559 R CB 1.053 31.243 30.300 -0.184 0.000 1.209 559 R HN 0.101 nan 8.270 nan 0.000 0.486 560 L N 1.524 122.659 121.223 -0.147 0.000 2.275 560 L HA 0.343 4.682 4.340 -0.003 0.000 0.288 560 L C -1.135 175.622 176.870 -0.189 0.000 1.046 560 L CA -0.188 54.642 54.840 -0.016 0.000 0.805 560 L CB 0.777 42.862 42.059 0.043 0.000 1.193 560 L HN 0.513 nan 8.230 nan 0.000 0.426 561 H N 2.092 121.242 119.070 0.134 0.000 2.685 561 H HA 0.385 4.939 4.556 -0.003 0.000 0.307 561 H C 0.090 175.466 175.328 0.079 0.000 1.017 561 H CA -0.290 55.800 56.048 0.071 0.000 1.237 561 H CB 1.335 31.091 29.762 -0.009 0.000 1.409 561 H HN 0.602 nan 8.280 nan 0.000 0.488 562 T N 2.200 116.785 114.554 0.052 0.000 2.788 562 T HA 0.427 4.776 4.350 -0.003 0.000 0.280 562 T C 0.141 174.751 174.700 -0.149 0.000 0.984 562 T CA -0.742 61.305 62.100 -0.088 0.000 0.972 562 T CB 0.540 69.232 68.868 -0.294 0.000 1.039 562 T HN 0.593 nan 8.240 nan 0.000 0.530 563 R N 0.962 121.333 120.500 -0.216 0.000 2.494 563 R HA 0.397 4.736 4.340 -0.003 0.000 0.305 563 R C -1.250 174.868 176.300 -0.302 0.000 0.959 563 R CA -0.485 55.523 56.100 -0.153 0.000 0.864 563 R CB 1.083 31.366 30.300 -0.028 0.000 1.159 563 R HN 0.447 nan 8.270 nan 0.000 0.446 564 F N 2.191 122.154 119.950 0.022 0.000 2.334 564 F HA 0.255 4.780 4.527 -0.003 0.000 0.365 564 F C 0.213 176.007 175.800 -0.009 0.000 1.124 564 F CA -0.788 57.215 58.000 0.005 0.000 1.166 564 F CB 0.563 39.556 39.000 -0.011 0.000 1.355 564 F HN 0.381 nan 8.300 nan 0.000 0.532 565 N N 2.762 121.535 118.700 0.121 0.000 2.452 565 N HA 0.054 4.792 4.740 -0.003 0.000 0.266 565 N C 0.806 176.322 175.510 0.011 0.000 1.175 565 N CA -0.157 52.919 53.050 0.043 0.000 0.945 565 N CB 0.854 39.350 38.487 0.015 0.000 1.063 565 N HN 0.659 nan 8.380 nan 0.000 0.472 566 Q N 1.107 120.871 119.800 -0.060 0.000 2.396 566 Q HA 0.011 4.349 4.340 -0.003 0.000 0.209 566 Q C -0.098 175.654 176.000 -0.414 0.000 0.906 566 Q CA 0.527 56.255 55.803 -0.126 0.000 0.927 566 Q CB 0.620 29.314 28.738 -0.072 0.000 1.069 566 Q HN 0.759 nan 8.270 nan 0.000 0.523 567 T N -3.249 111.001 114.554 -0.507 0.000 3.585 567 T HA 0.677 5.026 4.350 -0.003 0.000 0.252 567 T C 0.069 174.474 174.700 -0.491 0.000 1.382 567 T CA -0.042 61.423 62.100 -1.058 0.000 1.584 567 T CB 1.255 69.732 68.868 -0.652 0.000 0.892 567 T HN 0.106 nan 8.240 nan 0.000 0.671 568 A N 1.256 123.915 122.820 -0.269 0.000 2.312 568 A HA 0.530 4.848 4.320 -0.003 0.000 0.215 568 A C 1.165 178.804 177.584 0.092 0.000 1.256 568 A CA 0.418 52.436 52.037 -0.031 0.000 0.966 568 A CB 0.357 19.349 19.000 -0.013 0.000 1.053 568 A HN 0.782 nan 8.150 nan 0.000 0.510 569 T N -4.214 110.452 114.554 0.187 0.000 2.932 569 T HA 0.649 4.997 4.350 -0.003 0.000 0.289 569 T C 0.788 175.648 174.700 0.267 0.000 1.039 569 T CA 0.070 62.291 62.100 0.202 0.000 1.024 569 T CB 1.794 70.760 68.868 0.162 0.000 1.090 569 T HN 0.572 nan 8.240 nan 0.000 0.496 570 A N 1.000 123.907 122.820 0.145 0.000 2.167 570 A HA 0.171 4.490 4.320 -0.003 0.000 0.214 570 A C 2.089 179.709 177.584 0.059 0.000 1.151 570 A CA 1.269 53.362 52.037 0.093 0.000 0.735 570 A CB -0.954 18.082 19.000 0.060 0.000 0.802 570 A HN 1.077 nan 8.150 nan 0.000 0.467 571 T N -6.259 108.347 114.554 0.086 0.000 2.971 571 T HA 0.444 4.792 4.350 -0.003 0.000 0.252 571 T C 1.338 176.096 174.700 0.097 0.000 1.022 571 T CA 1.117 63.259 62.100 0.069 0.000 0.980 571 T CB 0.542 69.445 68.868 0.059 0.000 1.044 571 T HN 1.475 nan 8.240 nan 0.000 0.501 572 G N 1.510 110.414 108.800 0.173 0.000 2.184 572 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.206 572 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.206 572 G C 0.176 175.210 174.900 0.222 0.000 0.995 572 G CA -0.425 44.814 45.100 0.231 0.000 0.651 572 G HN 0.611 nan 8.290 nan 0.000 0.511 573 R N 0.023 120.634 120.500 0.184 0.000 2.694 573 R HA 0.520 4.858 4.340 -0.003 0.000 0.268 573 R C 0.991 177.410 176.300 0.199 0.000 1.061 573 R CA -0.141 56.071 56.100 0.186 0.000 1.133 573 R CB 0.363 30.750 30.300 0.145 0.000 1.020 573 R HN 0.296 nan 8.270 nan 0.000 0.475 574 L N 0.640 121.989 121.223 0.211 0.000 2.475 574 L HA 0.218 4.557 4.340 -0.003 0.000 0.253 574 L C 0.742 177.757 176.870 0.242 0.000 1.198 574 L CA -0.055 54.898 54.840 0.188 0.000 0.814 574 L CB 1.002 43.167 42.059 0.177 0.000 1.134 574 L HN 0.724 nan 8.230 nan 0.000 0.478 575 S N -0.509 115.309 115.700 0.197 0.000 2.671 575 S HA 0.676 5.144 4.470 -0.003 0.000 0.299 575 S C -0.791 173.895 174.600 0.144 0.000 1.116 575 S CA -0.696 57.615 58.200 0.186 0.000 0.912 575 S CB 2.028 65.297 63.200 0.115 0.000 1.130 575 S HN 0.542 nan 8.310 nan 0.000 0.501 576 S N 0.577 116.321 115.700 0.073 0.000 2.538 576 S HA 0.817 5.286 4.470 -0.003 0.000 0.288 576 S C -0.967 173.602 174.600 -0.052 0.000 1.108 576 S CA -0.189 57.962 58.200 -0.080 0.000 0.971 576 S CB 0.923 64.040 63.200 -0.138 0.000 1.041 576 S HN 1.674 nan 8.310 nan 0.000 0.483 577 S N 2.495 118.143 115.700 -0.087 0.000 2.596 577 S HA 0.617 5.085 4.470 -0.003 0.000 0.270 577 S C -1.477 173.109 174.600 -0.023 0.000 1.155 577 S CA -0.792 57.389 58.200 -0.031 0.000 0.827 577 S CB 1.312 64.507 63.200 -0.009 0.000 1.130 577 S HN 0.744 nan 8.310 nan 0.000 0.467 578 D N 0.640 121.042 120.400 0.003 0.000 2.705 578 D HA -0.074 4.565 4.640 -0.003 0.000 0.240 578 D C -2.444 173.897 176.300 0.068 0.000 1.137 578 D CA 0.857 54.871 54.000 0.024 0.000 0.677 578 D CB -1.331 39.492 40.800 0.038 0.000 1.049 578 D HN 0.573 nan 8.370 nan 0.000 0.427 579 P HA 0.180 nan 4.420 nan 0.000 0.285 579 P C -0.114 177.207 177.300 0.035 0.000 1.285 579 P CA -0.670 62.459 63.100 0.049 0.000 0.854 579 P CB 0.945 32.699 31.700 0.091 0.000 1.180 580 N N 1.028 119.754 118.700 0.044 0.000 2.431 580 N HA 0.072 4.811 4.740 -0.003 0.000 0.265 580 N C 0.366 175.945 175.510 0.115 0.000 1.184 580 N CA 0.164 53.245 53.050 0.052 0.000 0.943 580 N CB -0.416 38.112 38.487 0.068 0.000 1.080 580 N HN 0.328 nan 8.380 nan 0.000 0.477 581 L N 2.686 123.952 121.223 0.072 0.000 2.857 581 L HA 0.197 4.536 4.340 -0.003 0.000 0.249 581 L C 1.101 178.058 176.870 0.145 0.000 1.172 581 L CA 0.097 55.015 54.840 0.130 0.000 0.980 581 L CB 0.180 42.305 42.059 0.109 0.000 1.299 581 L HN 0.509 nan 8.230 nan 0.000 0.535 582 Q N 0.992 120.863 119.800 0.119 0.000 2.280 582 Q HA 0.065 4.404 4.340 -0.003 0.000 0.201 582 Q C 0.449 176.522 176.000 0.122 0.000 0.890 582 Q CA 0.100 55.972 55.803 0.115 0.000 0.947 582 Q CB 0.331 29.105 28.738 0.060 0.000 1.081 582 Q HN 0.448 nan 8.270 nan 0.000 0.502 583 N N -0.425 118.348 118.700 0.122 0.000 2.466 583 N HA 0.062 4.801 4.740 -0.003 0.000 0.272 583 N C -0.568 174.962 175.510 0.033 0.000 1.455 583 N CA -0.228 52.884 53.050 0.104 0.000 0.875 583 N CB 0.346 38.935 38.487 0.170 0.000 1.372 583 N HN -0.068 nan 8.380 nan 0.000 0.492 584 I N 1.601 122.101 120.570 -0.116 0.000 2.618 584 I HA 0.230 4.398 4.170 -0.003 0.000 0.284 584 I C -1.847 173.970 176.117 -0.501 0.000 1.146 584 I CA -1.798 59.270 61.300 -0.387 0.000 1.425 584 I CB -0.163 37.568 38.000 -0.448 0.000 1.383 584 I HN -0.030 nan 8.210 nan 0.000 0.562 585 P HA 0.113 nan 4.420 nan 0.000 0.270 585 P C 0.447 177.549 177.300 -0.331 0.000 1.223 585 P CA 0.160 63.011 63.100 -0.416 0.000 0.785 585 P CB 1.271 32.724 31.700 -0.411 0.000 0.923 586 V N 1.790 121.563 119.914 -0.234 0.000 3.524 586 V HA 0.066 4.184 4.120 -0.003 0.000 0.257 586 V C 1.501 177.521 176.094 -0.123 0.000 1.775 586 V CA 0.433 62.607 62.300 -0.209 0.000 1.072 586 V CB -0.142 31.508 31.823 -0.288 0.000 0.940 586 V HN 0.359 nan 8.190 nan 0.000 0.357 587 R N 1.279 121.723 120.500 -0.093 0.000 2.236 587 R HA 0.148 4.487 4.340 -0.003 0.000 0.208 587 R C 0.876 177.158 176.300 -0.031 0.000 1.036 587 R CA 1.260 57.332 56.100 -0.048 0.000 1.001 587 R CB 0.034 30.318 30.300 -0.027 0.000 0.896 587 R HN 0.696 nan 8.270 nan 0.000 0.464 588 T N -3.444 111.087 114.554 -0.038 0.000 2.942 588 T HA 0.336 4.684 4.350 -0.003 0.000 0.289 588 T C -2.287 172.400 174.700 -0.022 0.000 1.044 588 T CA -2.326 59.761 62.100 -0.021 0.000 1.023 588 T CB 2.348 71.207 68.868 -0.014 0.000 1.123 588 T HN -0.327 nan 8.240 nan 0.000 0.512 589 P HA -0.062 nan 4.420 nan 0.000 0.214 589 P C 1.815 179.115 177.300 0.000 0.000 1.163 589 P CA 0.592 63.691 63.100 -0.001 0.000 0.889 589 P CB 0.010 31.712 31.700 0.005 0.000 0.790 590 L N -0.795 120.426 121.223 -0.003 0.000 2.083 590 L HA -0.116 4.222 4.340 -0.003 0.000 0.209 590 L C 2.287 179.151 176.870 -0.009 0.000 1.083 590 L CA 2.266 57.105 54.840 -0.002 0.000 0.752 590 L CB -1.347 40.708 42.059 -0.007 0.000 0.899 590 L HN 0.086 nan 8.230 nan 0.000 0.433 591 G N -0.946 107.832 108.800 -0.037 0.000 2.418 591 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.217 591 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.217 591 G C 1.380 176.233 174.900 -0.078 0.000 1.158 591 G CA 0.523 45.572 45.100 -0.085 0.000 0.771 591 G HN 0.473 nan 8.290 nan 0.000 0.545 592 Q N -0.147 119.623 119.800 -0.051 0.000 2.119 592 Q HA -0.018 4.320 4.340 -0.003 0.000 0.201 592 Q C 2.750 178.766 176.000 0.026 0.000 0.972 592 Q CA 0.876 56.657 55.803 -0.038 0.000 0.847 592 Q CB -0.133 28.589 28.738 -0.026 0.000 0.903 592 Q HN 0.400 nan 8.270 nan 0.000 0.433 593 R N 0.198 120.737 120.500 0.064 0.000 2.193 593 R HA -0.074 4.264 4.340 -0.003 0.000 0.229 593 R C 2.030 178.477 176.300 0.246 0.000 1.110 593 R CA 0.965 57.163 56.100 0.163 0.000 0.988 593 R CB -0.169 30.213 30.300 0.135 0.000 0.871 593 R HN 0.298 nan 8.270 nan 0.000 0.458 594 I N 0.042 120.696 120.570 0.140 0.000 2.333 594 I HA -0.170 3.998 4.170 -0.003 0.000 0.246 594 I C 2.303 178.557 176.117 0.229 0.000 1.106 594 I CA 0.643 62.049 61.300 0.176 0.000 1.411 594 I CB -0.166 37.869 38.000 0.059 0.000 1.082 594 I HN 0.023 nan 8.210 nan 0.000 0.420 595 R N 1.206 121.763 120.500 0.095 0.000 2.117 595 R HA -0.161 4.177 4.340 -0.003 0.000 0.243 595 R C 2.213 178.663 176.300 0.249 0.000 1.143 595 R CA 1.354 57.509 56.100 0.091 0.000 0.968 595 R CB -0.689 29.527 30.300 -0.140 0.000 0.863 595 R HN 0.411 nan 8.270 nan 0.000 0.444 596 R N -0.117 120.469 120.500 0.143 0.000 2.200 596 R HA -0.058 4.280 4.340 -0.003 0.000 0.234 596 R C 2.046 178.318 176.300 -0.046 0.000 1.127 596 R CA 1.063 57.176 56.100 0.021 0.000 0.989 596 R CB -0.222 30.004 30.300 -0.123 0.000 0.869 596 R HN 0.183 nan 8.270 nan 0.000 0.459 597 A N 0.643 123.524 122.820 0.102 0.000 2.014 597 A HA -0.037 4.281 4.320 -0.003 0.000 0.218 597 A C 0.522 178.089 177.584 -0.029 0.000 1.163 597 A CA 0.516 52.571 52.037 0.031 0.000 0.652 597 A CB -0.102 18.985 19.000 0.144 0.000 0.808 597 A HN 0.115 nan 8.150 nan 0.000 0.449 598 F N 1.143 121.168 119.950 0.125 0.000 2.438 598 F HA 0.463 4.989 4.527 -0.002 0.000 0.360 598 F C 0.369 176.215 175.800 0.076 0.000 1.118 598 F CA -0.349 57.733 58.000 0.136 0.000 1.164 598 F CB 0.422 39.598 39.000 0.294 0.000 1.131 598 F HN 0.217 nan 8.300 nan 0.000 0.527 599 I N 0.237 120.877 120.570 0.117 0.000 3.002 599 I HA 0.929 5.097 4.170 -0.003 0.000 0.310 599 I C -0.528 175.604 176.117 0.024 0.000 1.087 599 I CA -1.481 59.854 61.300 0.059 0.000 1.017 599 I CB 1.755 39.759 38.000 0.006 0.000 1.226 599 I HN 0.434 nan 8.210 nan 0.000 0.443 600 A N 1.958 124.796 122.820 0.031 0.000 2.322 600 A HA 0.310 4.629 4.320 -0.003 0.000 0.269 600 A C 0.110 177.691 177.584 -0.005 0.000 1.094 600 A CA -0.336 51.717 52.037 0.026 0.000 0.807 600 A CB 0.456 19.521 19.000 0.108 0.000 1.047 600 A HN 0.880 nan 8.150 nan 0.000 0.487 601 E N 0.747 120.886 120.200 -0.102 0.000 2.436 601 E HA 0.008 4.357 4.350 -0.003 0.000 0.262 601 E C -0.345 176.286 176.600 0.050 0.000 1.063 601 E CA -0.178 56.132 56.400 -0.149 0.000 0.944 601 E CB 0.398 29.792 29.700 -0.510 0.000 0.950 601 E HN 0.545 nan 8.360 nan 0.000 0.444 602 E N 1.442 121.680 120.200 0.063 0.000 2.415 602 E HA 0.070 4.418 4.350 -0.003 0.000 0.263 602 E C 0.679 177.432 176.600 0.255 0.000 0.995 602 E CA 1.020 57.493 56.400 0.123 0.000 0.915 602 E CB 0.895 30.639 29.700 0.073 0.000 0.951 602 E HN 0.840 nan 8.360 nan 0.000 0.449 603 G N 2.322 111.251 108.800 0.216 0.000 2.175 603 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.244 603 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.244 603 G C -0.381 174.610 174.900 0.151 0.000 0.982 603 G CA -0.026 45.182 45.100 0.179 0.000 0.641 603 G HN 0.398 nan 8.290 nan 0.000 0.527 604 W N -0.389 120.903 121.300 -0.013 0.000 2.762 604 W HA 0.853 5.511 4.660 -0.003 0.000 0.355 604 W C 0.252 176.762 176.519 -0.015 0.000 1.124 604 W CA -1.061 56.274 57.345 -0.017 0.000 1.141 604 W CB 0.961 30.409 29.460 -0.020 0.000 1.432 604 W HN 0.073 nan 8.180 nan 0.000 0.586 605 L N 1.470 122.827 121.223 0.222 0.000 2.371 605 L HA 0.514 4.853 4.340 -0.003 0.000 0.262 605 L C -0.552 176.394 176.870 0.126 0.000 1.006 605 L CA -1.204 53.713 54.840 0.128 0.000 0.818 605 L CB 1.635 43.730 42.059 0.060 0.000 1.354 605 L HN 0.096 nan 8.230 nan 0.000 0.415 606 L N 2.145 123.415 121.223 0.079 0.000 2.349 606 L HA 0.423 4.761 4.340 -0.003 0.000 0.275 606 L C -0.617 176.271 176.870 0.031 0.000 1.115 606 L CA -0.624 54.238 54.840 0.037 0.000 0.820 606 L CB 1.536 43.598 42.059 0.006 0.000 1.135 606 L HN 0.245 nan 8.230 nan 0.000 0.445 607 V N 2.771 122.691 119.914 0.010 0.000 2.378 607 V HA 0.542 4.660 4.120 -0.003 0.000 0.288 607 V C 0.162 176.251 176.094 -0.008 0.000 1.016 607 V CA -0.535 61.770 62.300 0.007 0.000 0.840 607 V CB 1.483 33.308 31.823 0.004 0.000 0.994 607 V HN 0.847 nan 8.190 nan 0.000 0.431 608 A N 6.547 129.381 122.820 0.023 0.000 2.271 608 A HA 0.914 5.232 4.320 -0.003 0.000 0.317 608 A C -0.945 176.660 177.584 0.035 0.000 1.245 608 A CA -0.392 51.673 52.037 0.047 0.000 0.857 608 A CB 0.599 19.693 19.000 0.157 0.000 1.175 608 A HN 0.753 nan 8.150 nan 0.000 0.512 609 L N 2.387 123.616 121.223 0.008 0.000 2.346 609 L HA 0.575 4.913 4.340 -0.003 0.000 0.276 609 L C -0.435 176.413 176.870 -0.036 0.000 1.006 609 L CA -0.332 54.486 54.840 -0.038 0.000 0.817 609 L CB 2.097 44.102 42.059 -0.090 0.000 1.272 609 L HN 0.705 nan 8.230 nan 0.000 0.421 610 D N 1.433 121.801 120.400 -0.054 0.000 2.788 610 D HA 0.191 4.830 4.640 -0.003 0.000 0.247 610 D C -1.367 174.917 176.300 -0.026 0.000 1.236 610 D CA -0.492 53.512 54.000 0.006 0.000 0.898 610 D CB 1.335 42.176 40.800 0.067 0.000 1.401 610 D HN 0.250 nan 8.370 nan 0.000 0.549 611 Y N 1.738 122.070 120.300 0.053 0.000 2.587 611 Y HA 0.102 4.650 4.550 -0.003 0.000 0.344 611 Y C 1.047 176.972 175.900 0.042 0.000 1.061 611 Y CA 0.131 58.252 58.100 0.036 0.000 1.370 611 Y CB 0.710 39.186 38.460 0.027 0.000 1.163 611 Y HN 0.137 nan 8.280 nan 0.000 0.527 612 S N 4.508 120.316 115.700 0.179 0.000 2.498 612 S HA 0.025 4.494 4.470 -0.003 0.000 0.281 612 S C 0.236 174.908 174.600 0.121 0.000 1.265 612 S CA -0.586 57.702 58.200 0.146 0.000 1.071 612 S CB 0.091 63.364 63.200 0.122 0.000 0.894 612 S HN 0.711 nan 8.310 nan 0.000 0.491 613 Q N 0.394 120.288 119.800 0.157 0.000 2.434 613 Q HA -0.238 4.100 4.340 -0.003 0.000 0.299 613 Q C 0.634 176.637 176.000 0.005 0.000 1.286 613 Q CA 0.618 56.505 55.803 0.142 0.000 0.872 613 Q CB -1.948 26.886 28.738 0.160 0.000 1.193 613 Q HN 0.832 nan 8.270 nan 0.000 0.466 614 I N -0.117 120.462 120.570 0.015 0.000 2.163 614 I HA -0.338 3.831 4.170 -0.003 0.000 0.243 614 I C 1.951 177.996 176.117 -0.120 0.000 1.085 614 I CA 1.845 63.089 61.300 -0.094 0.000 1.347 614 I CB 0.117 38.045 38.000 -0.119 0.000 1.044 614 I HN 0.427 nan 8.210 nan 0.000 0.408 615 E N 0.446 120.620 120.200 -0.043 0.000 2.153 615 E HA -0.231 4.118 4.350 -0.003 0.000 0.194 615 E C 2.251 178.819 176.600 -0.054 0.000 0.988 615 E CA 1.305 57.682 56.400 -0.039 0.000 0.811 615 E CB -0.124 29.580 29.700 0.008 0.000 0.746 615 E HN 0.555 nan 8.360 nan 0.000 0.466 616 L N 0.320 121.530 121.223 -0.021 0.000 2.056 616 L HA -0.144 4.194 4.340 -0.003 0.000 0.207 616 L C 2.526 179.337 176.870 -0.099 0.000 1.078 616 L CA 1.072 55.913 54.840 0.001 0.000 0.749 616 L CB -0.304 41.835 42.059 0.134 0.000 0.901 616 L HN 0.053 nan 8.230 nan 0.000 0.433 617 R N -0.578 119.699 120.500 -0.371 0.000 2.081 617 R HA -0.120 4.218 4.340 -0.003 0.000 0.235 617 R C 2.251 178.387 176.300 -0.274 0.000 1.131 617 R CA 1.071 56.806 56.100 -0.608 0.000 0.960 617 R CB -0.488 29.355 30.300 -0.763 0.000 0.856 617 R HN 0.147 nan 8.270 nan 0.000 0.436 618 V N 1.375 121.159 119.914 -0.217 0.000 2.407 618 V HA -0.217 3.901 4.120 -0.003 0.000 0.248 618 V C 2.122 178.108 176.094 -0.179 0.000 1.055 618 V CA 1.448 63.648 62.300 -0.166 0.000 1.049 618 V CB -0.372 31.359 31.823 -0.153 0.000 0.662 618 V HN 0.246 nan 8.190 nan 0.000 0.455 619 L N 0.812 121.911 121.223 -0.207 0.000 2.093 619 L HA -0.016 4.323 4.340 -0.003 0.000 0.208 619 L C 2.443 179.146 176.870 -0.278 0.000 1.085 619 L CA 2.265 56.914 54.840 -0.319 0.000 0.755 619 L CB -0.967 40.959 42.059 -0.222 0.000 0.904 619 L HN 0.208 nan 8.230 nan 0.000 0.435 620 A N -1.161 121.580 122.820 -0.132 0.000 1.908 620 A HA -0.325 3.993 4.320 -0.003 0.000 0.218 620 A C 2.293 179.830 177.584 -0.078 0.000 1.181 620 A CA 2.001 54.001 52.037 -0.063 0.000 0.627 620 A CB -1.066 17.989 19.000 0.092 0.000 0.818 620 A HN 0.730 nan 8.150 nan 0.000 0.445 621 H N -0.258 118.714 119.070 -0.162 0.000 2.299 621 H HA 0.030 4.584 4.556 -0.003 0.000 0.302 621 H C 1.821 177.047 175.328 -0.171 0.000 1.078 621 H CA 1.918 57.884 56.048 -0.138 0.000 1.323 621 H CB -0.258 29.426 29.762 -0.130 0.000 1.381 621 H HN 0.328 nan 8.280 nan 0.000 0.498 622 L N -0.008 121.084 121.223 -0.217 0.000 2.042 622 L HA -0.180 4.158 4.340 -0.003 0.000 0.210 622 L C 2.684 179.291 176.870 -0.439 0.000 1.076 622 L CA 1.652 56.292 54.840 -0.333 0.000 0.749 622 L CB -0.601 41.152 42.059 -0.510 0.000 0.893 622 L HN 0.482 nan 8.230 nan 0.000 0.432 623 S N -0.868 114.504 115.700 -0.547 0.000 2.425 623 S HA 0.047 4.515 4.470 -0.003 0.000 0.225 623 S C 1.654 176.199 174.600 -0.091 0.000 1.024 623 S CA 0.520 58.542 58.200 -0.298 0.000 0.951 623 S CB 0.103 63.151 63.200 -0.253 0.000 0.796 623 S HN 0.520 nan 8.310 nan 0.000 0.498 624 G N 1.478 110.196 108.800 -0.137 0.000 2.160 624 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.251 624 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.251 624 G C -0.293 174.583 174.900 -0.040 0.000 1.008 624 G CA 0.255 45.301 45.100 -0.090 0.000 0.724 624 G HN 0.767 nan 8.290 nan 0.000 0.514 625 D N -0.347 120.033 120.400 -0.033 0.000 2.401 625 D HA 0.443 5.082 4.640 -0.003 0.000 0.254 625 D C 1.505 177.802 176.300 -0.005 0.000 1.192 625 D CA -0.038 53.963 54.000 0.001 0.000 0.885 625 D CB 0.531 41.347 40.800 0.027 0.000 1.147 625 D HN 0.233 nan 8.370 nan 0.000 0.478 626 E N 2.410 122.609 120.200 -0.002 0.000 2.038 626 E HA -0.197 4.152 4.350 -0.003 0.000 0.195 626 E C 1.407 177.992 176.600 -0.024 0.000 1.000 626 E CA 1.129 57.525 56.400 -0.007 0.000 0.803 626 E CB -0.016 29.684 29.700 0.000 0.000 0.750 626 E HN 0.484 nan 8.360 nan 0.000 0.448 627 N N -0.022 118.653 118.700 -0.042 0.000 2.104 627 N HA -0.156 4.582 4.740 -0.003 0.000 0.190 627 N C 1.680 177.094 175.510 -0.160 0.000 1.024 627 N CA 0.716 53.681 53.050 -0.143 0.000 0.853 627 N CB -0.396 37.904 38.487 -0.312 0.000 1.008 627 N HN 0.079 nan 8.380 nan 0.000 0.424 628 L N 1.260 122.449 121.223 -0.055 0.000 2.017 628 L HA 0.017 4.355 4.340 -0.003 0.000 0.208 628 L C 2.076 178.862 176.870 -0.140 0.000 1.073 628 L CA 1.170 55.870 54.840 -0.233 0.000 0.745 628 L CB -0.583 41.327 42.059 -0.249 0.000 0.894 628 L HN 0.139 nan 8.230 nan 0.000 0.432 629 I N -1.086 119.469 120.570 -0.026 0.000 2.286 629 I HA -0.328 3.841 4.170 -0.003 0.000 0.248 629 I C 2.686 178.819 176.117 0.027 0.000 1.115 629 I CA 1.224 62.556 61.300 0.053 0.000 1.392 629 I CB -0.297 37.722 38.000 0.032 0.000 1.065 629 I HN 0.279 nan 8.210 nan 0.000 0.418 630 R N 0.638 121.119 120.500 -0.032 0.000 2.092 630 R HA -0.130 4.209 4.340 -0.003 0.000 0.231 630 R C 2.289 178.554 176.300 -0.057 0.000 1.119 630 R CA 1.217 57.305 56.100 -0.020 0.000 0.970 630 R CB -0.083 30.215 30.300 -0.002 0.000 0.864 630 R HN 0.142 nan 8.270 nan 0.000 0.440 631 V N 0.637 120.433 119.914 -0.197 0.000 2.287 631 V HA -0.264 3.854 4.120 -0.003 0.000 0.248 631 V C 1.958 177.898 176.094 -0.256 0.000 1.053 631 V CA 1.870 63.988 62.300 -0.303 0.000 1.027 631 V CB -0.546 30.919 31.823 -0.596 0.000 0.646 631 V HN 0.245 nan 8.190 nan 0.000 0.447 632 F N -0.160 119.754 119.950 -0.061 0.000 2.293 632 F HA -0.057 4.471 4.527 0.001 0.000 0.297 632 F C 2.552 178.343 175.800 -0.015 0.000 1.089 632 F CA 1.055 59.030 58.000 -0.042 0.000 1.377 632 F CB -0.635 38.333 39.000 -0.053 0.000 1.051 632 F HN 0.129 nan 8.300 nan 0.000 0.511 633 Q N 0.020 119.910 119.800 0.150 0.000 2.123 633 Q HA -0.157 4.182 4.340 -0.003 0.000 0.199 633 Q C 1.692 177.733 176.000 0.068 0.000 0.966 633 Q CA 1.233 57.094 55.803 0.096 0.000 0.845 633 Q CB -0.176 28.604 28.738 0.069 0.000 0.907 633 Q HN 0.494 nan 8.270 nan 0.000 0.439 634 E N -0.751 119.480 120.200 0.052 0.000 2.482 634 E HA 0.001 4.349 4.350 -0.003 0.000 0.196 634 E C 0.620 177.248 176.600 0.047 0.000 1.047 634 E CA 0.306 56.732 56.400 0.044 0.000 0.869 634 E CB 0.242 29.966 29.700 0.041 0.000 0.836 634 E HN 0.494 nan 8.360 nan 0.000 0.520 635 G N 2.253 111.092 108.800 0.063 0.000 2.176 635 G HA2 -0.322 3.637 3.960 -0.003 0.000 0.252 635 G HA3 -0.322 3.637 3.960 -0.003 0.000 0.252 635 G C 0.009 174.941 174.900 0.054 0.000 1.024 635 G CA 0.077 45.221 45.100 0.074 0.000 0.755 635 G HN 0.141 nan 8.290 nan 0.000 0.507 636 R N -0.065 120.448 120.500 0.020 0.000 2.500 636 R HA 0.384 4.722 4.340 -0.003 0.000 0.275 636 R C -0.294 175.989 176.300 -0.029 0.000 1.051 636 R CA -0.725 55.377 56.100 0.002 0.000 1.088 636 R CB 0.679 30.981 30.300 0.003 0.000 1.063 636 R HN 0.185 nan 8.270 nan 0.000 0.511 637 D N 2.772 123.170 120.400 -0.003 0.000 2.342 637 D HA -0.044 4.595 4.640 -0.003 0.000 0.260 637 D C 1.007 177.254 176.300 -0.089 0.000 1.278 637 D CA 0.112 54.109 54.000 -0.005 0.000 0.910 637 D CB 0.533 41.361 40.800 0.047 0.000 1.079 637 D HN 0.541 nan 8.370 nan 0.000 0.496 638 I N 4.838 125.262 120.570 -0.244 0.000 2.264 638 I HA -0.301 3.867 4.170 -0.003 0.000 0.248 638 I C 1.356 177.314 176.117 -0.266 0.000 1.111 638 I CA 1.099 62.143 61.300 -0.427 0.000 1.382 638 I CB 0.034 37.609 38.000 -0.710 0.000 1.060 638 I HN 0.487 nan 8.210 nan 0.000 0.418 639 H N 0.043 119.090 119.070 -0.037 0.000 2.395 639 H HA -0.074 4.479 4.556 -0.005 0.000 0.299 639 H C 2.242 177.583 175.328 0.021 0.000 1.070 639 H CA 1.837 57.871 56.048 -0.023 0.000 1.356 639 H CB -0.608 29.133 29.762 -0.036 0.000 1.401 639 H HN 0.358 nan 8.280 nan 0.000 0.524 640 T N 1.421 116.053 114.554 0.130 0.000 2.777 640 T HA -0.091 4.258 4.350 -0.003 0.000 0.266 640 T C 1.857 176.628 174.700 0.117 0.000 1.040 640 T CA 0.973 63.136 62.100 0.105 0.000 1.141 640 T CB 0.136 69.049 68.868 0.075 0.000 0.868 640 T HN 0.342 nan 8.240 nan 0.000 0.444 641 E N 1.142 121.416 120.200 0.123 0.000 2.077 641 E HA -0.081 4.268 4.350 -0.003 0.000 0.193 641 E C 2.436 179.244 176.600 0.348 0.000 0.989 641 E CA 1.187 57.751 56.400 0.272 0.000 0.800 641 E CB -0.807 29.013 29.700 0.200 0.000 0.746 641 E HN 0.411 nan 8.360 nan 0.000 0.452 642 T N 1.117 115.796 114.554 0.208 0.000 2.881 642 T HA -0.056 4.292 4.350 -0.003 0.000 0.270 642 T C 1.749 176.593 174.700 0.240 0.000 1.068 642 T CA 1.168 63.423 62.100 0.258 0.000 1.131 642 T CB -0.088 68.899 68.868 0.199 0.000 0.871 642 T HN 0.254 nan 8.240 nan 0.000 0.479 643 A N 1.097 124.037 122.820 0.201 0.000 2.167 643 A HA 0.097 4.415 4.320 -0.003 0.000 0.214 643 A C 2.387 179.977 177.584 0.010 0.000 1.151 643 A CA 1.336 53.499 52.037 0.211 0.000 0.735 643 A CB -0.296 18.830 19.000 0.210 0.000 0.802 643 A HN 0.562 nan 8.150 nan 0.000 0.467 644 S N -3.031 112.697 115.700 0.046 0.000 2.566 644 S HA -0.040 4.429 4.470 -0.003 0.000 0.234 644 S C 1.790 176.363 174.600 -0.045 0.000 1.075 644 S CA 0.108 58.266 58.200 -0.070 0.000 0.926 644 S CB -0.721 62.426 63.200 -0.088 0.000 0.811 644 S HN 0.606 nan 8.310 nan 0.000 0.518 645 W N 3.363 124.606 121.300 -0.096 0.000 2.331 645 W HA 0.083 4.743 4.660 -0.001 0.000 0.291 645 W C 1.309 177.745 176.519 -0.138 0.000 1.214 645 W CA 1.468 58.728 57.345 -0.141 0.000 1.228 645 W CB -0.106 29.235 29.460 -0.198 0.000 1.135 645 W HN 0.471 nan 8.180 nan 0.000 0.537 646 M N -2.837 116.839 119.600 0.127 0.000 2.745 646 M HA 0.414 4.892 4.480 -0.003 0.000 0.290 646 M C -0.048 176.280 176.300 0.047 0.000 1.262 646 M CA -0.617 54.720 55.300 0.062 0.000 0.795 646 M CB 1.520 34.160 32.600 0.067 0.000 1.758 646 M HN -0.101 nan 8.290 nan 0.000 0.461 647 F N 1.210 121.045 119.950 -0.191 0.000 2.983 647 F HA 0.027 4.563 4.527 0.015 0.000 0.288 647 F C 0.188 175.933 175.800 -0.091 0.000 0.980 647 F CA 2.203 60.040 58.000 -0.271 0.000 0.965 647 F CB -1.590 37.062 39.000 -0.580 0.000 0.967 647 F HN 1.598 nan 8.300 nan 0.000 0.800 648 G N -0.978 107.746 108.800 -0.126 0.000 2.554 648 G HA2 0.417 4.376 3.960 -0.003 0.000 0.253 648 G HA3 0.417 4.376 3.960 -0.003 0.000 0.253 648 G C 0.432 175.197 174.900 -0.225 0.000 1.172 648 G CA 1.017 45.994 45.100 -0.205 0.000 0.950 648 G HN 2.500 nan 8.290 nan 0.000 0.557 649 V N -1.777 117.976 119.914 -0.269 0.000 3.208 649 V HA 0.719 4.837 4.120 -0.003 0.000 0.267 649 V C -2.736 173.235 176.094 -0.206 0.000 1.892 649 V CA 0.231 62.396 62.300 -0.225 0.000 0.979 649 V CB 1.018 32.726 31.823 -0.192 0.000 1.319 649 V HN 1.451 nan 8.190 nan 0.000 0.467 650 P HA 0.672 nan 4.420 nan 0.000 0.288 650 P C -0.756 176.469 177.300 -0.125 0.000 1.300 650 P CA -0.500 62.506 63.100 -0.156 0.000 0.910 650 P CB 1.547 33.169 31.700 -0.131 0.000 1.256 651 R N -0.450 119.984 120.500 -0.109 0.000 3.192 651 R HA 0.181 4.519 4.340 -0.003 0.000 0.264 651 R C 0.087 176.362 176.300 -0.042 0.000 1.464 651 R CA 0.430 56.494 56.100 -0.059 0.000 1.309 651 R CB -0.669 29.618 30.300 -0.022 0.000 1.283 651 R HN 0.188 nan 8.270 nan 0.000 0.584 652 E N 0.037 120.206 120.200 -0.052 0.000 2.496 652 E HA 0.290 4.638 4.350 -0.003 0.000 0.202 652 E C -0.070 176.513 176.600 -0.028 0.000 1.021 652 E CA 0.176 56.554 56.400 -0.036 0.000 1.015 652 E CB 1.029 30.704 29.700 -0.042 0.000 1.102 652 E HN 0.523 nan 8.360 nan 0.000 0.452 653 A N 0.554 123.358 122.820 -0.027 0.000 2.597 653 A HA 0.611 4.929 4.320 -0.003 0.000 0.191 653 A C -0.132 177.424 177.584 -0.047 0.000 1.336 653 A CA 0.251 52.270 52.037 -0.031 0.000 1.516 653 A CB 0.387 19.383 19.000 -0.006 0.000 1.849 653 A HN 0.097 nan 8.150 nan 0.000 0.640 654 V N 0.092 119.990 119.914 -0.025 0.000 2.914 654 V HA 0.660 4.779 4.120 -0.003 0.000 0.314 654 V C -1.074 175.030 176.094 0.016 0.000 1.084 654 V CA -0.318 61.966 62.300 -0.028 0.000 0.963 654 V CB 1.498 33.309 31.823 -0.020 0.000 1.025 654 V HN 0.918 nan 8.190 nan 0.000 0.432 655 D N 3.550 123.969 120.400 0.031 0.000 2.363 655 D HA 0.305 4.944 4.640 -0.003 0.000 0.240 655 D C -1.628 174.710 176.300 0.063 0.000 1.236 655 D CA -1.584 52.443 54.000 0.045 0.000 0.927 655 D CB 0.186 41.016 40.800 0.050 0.000 1.150 655 D HN 0.395 nan 8.370 nan 0.000 0.458 656 P HA -0.135 nan 4.420 nan 0.000 0.218 656 P C 1.623 178.954 177.300 0.052 0.000 1.149 656 P CA 0.526 63.654 63.100 0.048 0.000 0.817 656 P CB 0.150 31.872 31.700 0.037 0.000 0.785 657 L N -1.194 120.065 121.223 0.060 0.000 2.201 657 L HA 0.001 4.339 4.340 -0.003 0.000 0.212 657 L C 2.733 179.653 176.870 0.083 0.000 1.105 657 L CA 1.593 56.468 54.840 0.058 0.000 0.775 657 L CB -0.958 41.138 42.059 0.061 0.000 0.913 657 L HN -0.152 nan 8.230 nan 0.000 0.440 658 M N -1.910 117.787 119.600 0.161 0.000 2.254 658 M HA -0.159 4.319 4.480 -0.003 0.000 0.265 658 M C 2.341 178.785 176.300 0.239 0.000 1.066 658 M CA 1.184 56.685 55.300 0.335 0.000 1.123 658 M CB -0.223 32.640 32.600 0.438 0.000 1.388 658 M HN 0.128 nan 8.290 nan 0.000 0.425 659 R N 0.363 120.938 120.500 0.125 0.000 2.073 659 R HA -0.151 4.187 4.340 -0.003 0.000 0.229 659 R C 2.278 178.559 176.300 -0.033 0.000 1.120 659 R CA 1.414 57.558 56.100 0.073 0.000 0.967 659 R CB -0.076 30.261 30.300 0.062 0.000 0.862 659 R HN 0.083 nan 8.270 nan 0.000 0.436 660 R N 0.930 121.396 120.500 -0.056 0.000 2.120 660 R HA -0.016 4.323 4.340 -0.003 0.000 0.234 660 R C 1.760 177.967 176.300 -0.155 0.000 1.123 660 R CA 1.776 57.800 56.100 -0.128 0.000 0.975 660 R CB -0.753 29.506 30.300 -0.068 0.000 0.866 660 R HN 0.287 nan 8.270 nan 0.000 0.446 661 A N 0.379 123.125 122.820 -0.124 0.000 1.908 661 A HA -0.060 4.258 4.320 -0.003 0.000 0.218 661 A C 2.405 179.865 177.584 -0.208 0.000 1.181 661 A CA 1.898 53.816 52.037 -0.198 0.000 0.627 661 A CB -1.062 17.705 19.000 -0.388 0.000 0.818 661 A HN 0.507 nan 8.150 nan 0.000 0.445 662 A N -0.484 122.256 122.820 -0.134 0.000 1.929 662 A HA -0.097 4.221 4.320 -0.003 0.000 0.216 662 A C 2.102 179.582 177.584 -0.174 0.000 1.176 662 A CA 1.635 53.629 52.037 -0.070 0.000 0.628 662 A CB -0.367 18.683 19.000 0.084 0.000 0.816 662 A HN 0.534 nan 8.150 nan 0.000 0.444 663 K N -0.694 119.466 120.400 -0.399 0.000 2.026 663 K HA -0.110 4.209 4.320 -0.003 0.000 0.208 663 K C 2.093 178.160 176.600 -0.889 0.000 1.048 663 K CA 1.807 57.547 56.287 -0.913 0.000 0.929 663 K CB -0.460 31.370 32.500 -1.116 0.000 0.713 663 K HN 0.474 nan 8.250 nan 0.000 0.439 664 T N 1.990 116.266 114.554 -0.464 0.000 2.720 664 T HA -0.131 4.218 4.350 -0.003 0.000 0.268 664 T C 1.850 176.446 174.700 -0.173 0.000 1.037 664 T CA 1.072 63.040 62.100 -0.220 0.000 1.144 664 T CB -0.107 68.706 68.868 -0.092 0.000 0.864 664 T HN 0.061 nan 8.240 nan 0.000 0.444 665 I N 2.093 122.543 120.570 -0.200 0.000 2.142 665 I HA -0.135 4.033 4.170 -0.003 0.000 0.240 665 I C 2.301 178.224 176.117 -0.324 0.000 1.078 665 I CA 1.263 62.435 61.300 -0.213 0.000 1.343 665 I CB -1.390 36.502 38.000 -0.180 0.000 1.046 665 I HN 0.227 nan 8.210 nan 0.000 0.405 666 N N 1.257 119.779 118.700 -0.296 0.000 2.018 666 N HA -0.214 4.524 4.740 -0.003 0.000 0.196 666 N C 1.813 177.247 175.510 -0.128 0.000 1.043 666 N CA 1.466 54.374 53.050 -0.237 0.000 0.856 666 N CB -0.669 37.781 38.487 -0.062 0.000 1.042 666 N HN 0.174 nan 8.380 nan 0.000 0.423 667 F N 1.108 120.929 119.950 -0.216 0.000 2.120 667 F HA -0.079 4.450 4.527 0.003 0.000 0.300 667 F C 2.633 178.150 175.800 -0.472 0.000 1.095 667 F CA 0.882 58.642 58.000 -0.401 0.000 1.249 667 F CB -1.532 37.343 39.000 -0.208 0.000 0.995 667 F HN 0.093 nan 8.300 nan 0.000 0.480 668 G N 0.058 108.836 108.800 -0.037 0.000 2.446 668 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.217 668 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.217 668 G C 1.903 176.789 174.900 -0.024 0.000 1.168 668 G CA 1.322 46.422 45.100 -0.000 0.000 0.771 668 G HN 0.287 nan 8.290 nan 0.000 0.551 669 V N 0.513 120.332 119.914 -0.160 0.000 2.343 669 V HA -0.124 3.994 4.120 -0.003 0.000 0.247 669 V C 2.787 178.947 176.094 0.109 0.000 1.051 669 V CA 1.418 63.662 62.300 -0.093 0.000 1.036 669 V CB -0.488 31.089 31.823 -0.410 0.000 0.654 669 V HN 0.271 nan 8.190 nan 0.000 0.451 670 L N -0.855 120.340 121.223 -0.047 0.000 2.079 670 L HA -0.185 4.154 4.340 -0.003 0.000 0.210 670 L C 2.044 178.990 176.870 0.126 0.000 1.081 670 L CA 2.111 56.927 54.840 -0.041 0.000 0.752 670 L CB -0.524 41.298 42.059 -0.396 0.000 0.896 670 L HN 0.426 nan 8.230 nan 0.000 0.433 671 Y N -0.945 119.457 120.300 0.171 0.000 2.458 671 Y HA 0.466 5.015 4.550 -0.002 0.000 0.256 671 Y C 1.692 177.658 175.900 0.110 0.000 1.159 671 Y CA -0.540 57.606 58.100 0.077 0.000 1.261 671 Y CB -0.650 37.836 38.460 0.045 0.000 1.119 671 Y HN 0.117 nan 8.280 nan 0.000 0.524 672 G N 1.297 110.341 108.800 0.406 0.000 2.295 672 G HA2 -0.362 3.596 3.960 -0.003 0.000 0.287 672 G HA3 -0.362 3.596 3.960 -0.003 0.000 0.287 672 G C 0.185 175.236 174.900 0.252 0.000 1.055 672 G CA 0.247 45.609 45.100 0.437 0.000 0.922 672 G HN 0.379 nan 8.290 nan 0.000 0.503 673 M N 1.875 121.604 119.600 0.214 0.000 2.188 673 M HA 0.435 4.913 4.480 -0.003 0.000 0.354 673 M C 1.279 177.651 176.300 0.120 0.000 1.342 673 M CA 0.101 55.493 55.300 0.154 0.000 1.117 673 M CB 0.484 33.183 32.600 0.166 0.000 1.670 673 M HN 0.695 nan 8.290 nan 0.000 0.466 674 S N 4.005 119.743 115.700 0.064 0.000 2.593 674 S HA 0.334 4.802 4.470 -0.003 0.000 0.269 674 S C 1.111 175.816 174.600 0.175 0.000 1.334 674 S CA -0.283 57.949 58.200 0.052 0.000 1.015 674 S CB 1.192 64.226 63.200 -0.277 0.000 0.912 674 S HN 0.838 nan 8.310 nan 0.000 0.541 675 A N 0.945 123.939 122.820 0.290 0.000 2.076 675 A HA -0.101 4.218 4.320 -0.003 0.000 0.220 675 A C 1.830 179.597 177.584 0.305 0.000 1.160 675 A CA 1.616 53.756 52.037 0.171 0.000 0.653 675 A CB -1.399 17.542 19.000 -0.099 0.000 0.801 675 A HN 1.000 nan 8.150 nan 0.000 0.455 676 H N -1.152 118.080 119.070 0.270 0.000 2.253 676 H HA -0.124 4.430 4.556 -0.003 0.000 0.299 676 H C 2.353 177.782 175.328 0.169 0.000 1.064 676 H CA 1.271 57.506 56.048 0.310 0.000 1.264 676 H CB -0.222 29.672 29.762 0.219 0.000 1.371 676 H HN 0.431 nan 8.280 nan 0.000 0.493 677 R N 0.903 121.557 120.500 0.257 0.000 2.152 677 R HA -0.125 4.213 4.340 -0.003 0.000 0.232 677 R C 2.247 178.625 176.300 0.131 0.000 1.117 677 R CA 0.702 56.893 56.100 0.151 0.000 0.981 677 R CB -0.096 30.264 30.300 0.101 0.000 0.870 677 R HN 0.194 nan 8.270 nan 0.000 0.451 678 L N 0.429 121.733 121.223 0.133 0.000 2.072 678 L HA -0.097 4.241 4.340 -0.003 0.000 0.205 678 L C 2.230 179.143 176.870 0.071 0.000 1.079 678 L CA 2.188 57.084 54.840 0.092 0.000 0.752 678 L CB -0.477 41.627 42.059 0.074 0.000 0.906 678 L HN 0.255 nan 8.230 nan 0.000 0.436 679 S N -1.484 114.263 115.700 0.079 0.000 2.402 679 S HA -0.267 4.202 4.470 -0.003 0.000 0.229 679 S C 2.009 176.648 174.600 0.066 0.000 1.021 679 S CA 1.227 59.457 58.200 0.050 0.000 0.974 679 S CB -0.659 62.586 63.200 0.075 0.000 0.800 679 S HN 0.673 nan 8.310 nan 0.000 0.484 680 Q N 0.402 120.258 119.800 0.094 0.000 2.297 680 Q HA -0.002 4.336 4.340 -0.003 0.000 0.204 680 Q C 1.558 177.599 176.000 0.068 0.000 0.962 680 Q CA 0.987 56.839 55.803 0.081 0.000 0.879 680 Q CB 0.051 28.845 28.738 0.094 0.000 0.947 680 Q HN 0.562 nan 8.270 nan 0.000 0.462 681 E N -0.400 119.843 120.200 0.071 0.000 2.474 681 E HA -0.029 4.320 4.350 -0.003 0.000 0.194 681 E C 0.691 177.319 176.600 0.046 0.000 1.041 681 E CA 0.247 56.686 56.400 0.065 0.000 0.874 681 E CB 0.615 30.363 29.700 0.080 0.000 0.914 681 E HN 0.229 nan 8.360 nan 0.000 0.498 682 L N -0.405 120.840 121.223 0.037 0.000 2.858 682 L HA 0.348 4.686 4.340 -0.003 0.000 0.251 682 L C 0.447 177.323 176.870 0.011 0.000 1.149 682 L CA 0.205 55.056 54.840 0.019 0.000 0.955 682 L CB 0.212 42.282 42.059 0.018 0.000 1.289 682 L HN 0.020 nan 8.230 nan 0.000 0.542 683 A N 0.564 123.396 122.820 0.020 0.000 2.745 683 A HA -0.222 4.096 4.320 -0.003 0.000 0.296 683 A C 0.436 178.021 177.584 0.002 0.000 1.500 683 A CA 1.505 53.552 52.037 0.018 0.000 0.766 683 A CB -2.684 16.329 19.000 0.020 0.000 1.030 683 A HN 0.538 nan 8.150 nan 0.000 0.489 684 I N -4.371 116.191 120.570 -0.013 0.000 2.828 684 I HA 0.798 4.966 4.170 -0.003 0.000 0.302 684 I C -2.746 173.348 176.117 -0.038 0.000 1.101 684 I CA -3.262 58.010 61.300 -0.047 0.000 1.031 684 I CB 1.900 39.830 38.000 -0.117 0.000 1.231 684 I HN -0.066 nan 8.210 nan 0.000 0.427 685 P HA -0.077 nan 4.420 nan 0.000 0.266 685 P C 0.046 177.346 177.300 -0.000 0.000 1.186 685 P CA 0.288 63.386 63.100 -0.004 0.000 0.767 685 P CB 0.255 31.943 31.700 -0.020 0.000 0.820 686 Y N 3.421 123.683 120.300 -0.062 0.000 2.151 686 Y HA -0.319 4.231 4.550 -0.000 0.000 0.284 686 Y C 1.918 177.774 175.900 -0.074 0.000 1.166 686 Y CA 1.988 60.048 58.100 -0.065 0.000 1.163 686 Y CB -0.248 38.163 38.460 -0.082 0.000 0.974 686 Y HN 0.368 nan 8.280 nan 0.000 0.511 687 E N 0.311 120.471 120.200 -0.066 0.000 2.110 687 E HA -0.212 4.136 4.350 -0.003 0.000 0.193 687 E C 1.861 178.322 176.600 -0.231 0.000 0.988 687 E CA 1.585 57.897 56.400 -0.146 0.000 0.804 687 E CB -0.602 29.083 29.700 -0.025 0.000 0.745 687 E HN 0.701 nan 8.360 nan 0.000 0.458 688 E N 0.874 120.925 120.200 -0.248 0.000 2.268 688 E HA -0.067 4.281 4.350 -0.003 0.000 0.195 688 E C 1.950 178.199 176.600 -0.586 0.000 0.995 688 E CA 0.851 57.001 56.400 -0.416 0.000 0.836 688 E CB -0.035 29.425 29.700 -0.399 0.000 0.763 688 E HN 0.284 nan 8.360 nan 0.000 0.491 689 A N 1.137 123.723 122.820 -0.390 0.000 1.898 689 A HA -0.159 4.159 4.320 -0.003 0.000 0.214 689 A C 2.044 179.510 177.584 -0.197 0.000 1.183 689 A CA 0.760 52.633 52.037 -0.274 0.000 0.622 689 A CB -0.246 18.641 19.000 -0.188 0.000 0.824 689 A HN 0.105 nan 8.150 nan 0.000 0.444 690 Q N -0.350 119.266 119.800 -0.306 0.000 2.112 690 Q HA -0.212 4.126 4.340 -0.003 0.000 0.206 690 Q C 2.420 178.394 176.000 -0.043 0.000 0.987 690 Q CA 1.602 57.286 55.803 -0.198 0.000 0.858 690 Q CB -0.407 28.163 28.738 -0.278 0.000 0.905 690 Q HN 0.687 nan 8.270 nan 0.000 0.420 691 A N 0.709 123.493 122.820 -0.059 0.000 1.858 691 A HA -0.178 4.140 4.320 -0.003 0.000 0.216 691 A C 1.774 179.493 177.584 0.224 0.000 1.190 691 A CA 1.197 53.268 52.037 0.057 0.000 0.617 691 A CB -0.791 18.219 19.000 0.016 0.000 0.827 691 A HN 0.306 nan 8.150 nan 0.000 0.443 692 F N 0.229 120.182 119.950 0.005 0.000 2.192 692 F HA -0.169 4.345 4.527 -0.023 0.000 0.301 692 F C 2.190 178.009 175.800 0.031 0.000 1.079 692 F CA 0.553 58.565 58.000 0.019 0.000 1.303 692 F CB -0.832 38.148 39.000 -0.033 0.000 1.024 692 F HN 0.162 nan 8.300 nan 0.000 0.494 693 I N -0.761 119.932 120.570 0.204 0.000 2.353 693 I HA -0.188 3.980 4.170 -0.003 0.000 0.248 693 I C 2.297 178.522 176.117 0.180 0.000 1.119 693 I CA 0.888 62.255 61.300 0.112 0.000 1.417 693 I CB -0.301 37.769 38.000 0.117 0.000 1.078 693 I HN -0.016 nan 8.210 nan 0.000 0.421 694 E N 0.778 121.109 120.200 0.217 0.000 2.072 694 E HA -0.186 4.162 4.350 -0.003 0.000 0.190 694 E C 2.161 178.888 176.600 0.213 0.000 0.982 694 E CA 0.868 57.418 56.400 0.250 0.000 0.803 694 E CB -0.280 29.527 29.700 0.179 0.000 0.755 694 E HN 0.353 nan 8.360 nan 0.000 0.453 695 R N -0.300 120.308 120.500 0.180 0.000 2.285 695 R HA -0.145 4.194 4.340 -0.003 0.000 0.213 695 R C 2.035 178.386 176.300 0.086 0.000 1.068 695 R CA 0.575 56.752 56.100 0.129 0.000 1.004 695 R CB -0.099 30.288 30.300 0.145 0.000 0.873 695 R HN 0.170 nan 8.270 nan 0.000 0.467 696 Y N -0.370 119.913 120.300 -0.029 0.000 2.176 696 Y HA -0.124 4.422 4.550 -0.007 0.000 0.291 696 Y C 1.224 177.073 175.900 -0.085 0.000 1.122 696 Y CA 1.498 59.538 58.100 -0.100 0.000 1.128 696 Y CB -0.203 38.094 38.460 -0.272 0.000 1.005 696 Y HN -0.054 nan 8.280 nan 0.000 0.509 697 F N 0.808 120.909 119.950 0.252 0.000 2.641 697 F HA -0.138 4.390 4.527 0.001 0.000 0.298 697 F C 2.145 177.944 175.800 -0.002 0.000 1.146 697 F CA 0.685 58.767 58.000 0.137 0.000 1.464 697 F CB -0.406 38.698 39.000 0.174 0.000 1.101 697 F HN 0.211 nan 8.300 nan 0.000 0.585 698 Q N -0.595 119.262 119.800 0.095 0.000 2.062 698 Q HA -0.053 4.285 4.340 -0.003 0.000 0.196 698 Q C 2.335 178.250 176.000 -0.141 0.000 0.967 698 Q CA 1.372 57.180 55.803 0.008 0.000 0.832 698 Q CB -0.715 28.034 28.738 0.019 0.000 0.899 698 Q HN 0.275 nan 8.270 nan 0.000 0.442 699 S N 0.140 115.623 115.700 -0.362 0.000 2.436 699 S HA 0.028 4.496 4.470 -0.003 0.000 0.228 699 S C 0.177 174.094 174.600 -1.139 0.000 1.014 699 S CA 0.551 58.287 58.200 -0.773 0.000 0.950 699 S CB 0.072 62.604 63.200 -1.112 0.000 0.784 699 S HN 0.215 nan 8.310 nan 0.000 0.504 700 F N 0.437 120.187 119.950 -0.334 0.000 2.584 700 F HA 0.404 4.928 4.527 -0.004 0.000 0.328 700 F C -2.384 173.380 175.800 -0.059 0.000 1.407 700 F CA -2.454 55.370 58.000 -0.295 0.000 1.145 700 F CB 0.803 39.490 39.000 -0.521 0.000 1.440 700 F HN -0.066 nan 8.300 nan 0.000 0.580 701 P HA -0.154 nan 4.420 nan 0.000 0.217 701 P C 1.400 178.779 177.300 0.131 0.000 1.150 701 P CA 1.536 64.706 63.100 0.118 0.000 0.832 701 P CB 0.284 32.014 31.700 0.049 0.000 0.787 702 K N -0.672 119.796 120.400 0.113 0.000 2.283 702 K HA -0.024 4.294 4.320 -0.003 0.000 0.202 702 K C 1.852 178.554 176.600 0.169 0.000 1.048 702 K CA 0.691 57.044 56.287 0.109 0.000 0.948 702 K CB -0.553 31.990 32.500 0.071 0.000 0.742 702 K HN 0.035 nan 8.250 nan 0.000 0.458 703 V N 1.390 121.430 119.914 0.210 0.000 2.295 703 V HA -0.248 3.870 4.120 -0.003 0.000 0.246 703 V C 2.412 178.684 176.094 0.296 0.000 1.049 703 V CA 1.557 64.025 62.300 0.280 0.000 1.024 703 V CB -0.399 31.640 31.823 0.359 0.000 0.648 703 V HN 0.301 nan 8.190 nan 0.000 0.447 704 R N 0.025 120.652 120.500 0.212 0.000 2.080 704 R HA -0.172 4.166 4.340 -0.003 0.000 0.236 704 R C 2.417 178.688 176.300 -0.048 0.000 1.137 704 R CA 1.817 57.863 56.100 -0.091 0.000 0.943 704 R CB -0.968 29.198 30.300 -0.222 0.000 0.846 704 R HN 0.532 nan 8.270 nan 0.000 0.431 705 A N -0.313 122.522 122.820 0.026 0.000 1.940 705 A HA -0.216 4.102 4.320 -0.003 0.000 0.219 705 A C 2.007 179.618 177.584 0.044 0.000 1.176 705 A CA 1.462 53.509 52.037 0.017 0.000 0.631 705 A CB -0.884 18.140 19.000 0.040 0.000 0.814 705 A HN 0.628 nan 8.150 nan 0.000 0.446 706 W N 0.503 121.773 121.300 -0.051 0.000 2.379 706 W HA -0.120 4.539 4.660 -0.003 0.000 0.307 706 W C 1.790 178.268 176.519 -0.068 0.000 1.200 706 W CA 1.801 59.120 57.345 -0.044 0.000 1.297 706 W CB -0.239 29.211 29.460 -0.016 0.000 1.140 706 W HN 0.287 nan 8.180 nan 0.000 0.507 707 I N 0.827 121.397 120.570 -0.000 0.000 2.163 707 I HA -0.333 3.835 4.170 -0.003 0.000 0.243 707 I C 2.456 178.361 176.117 -0.354 0.000 1.085 707 I CA 1.617 62.722 61.300 -0.325 0.000 1.347 707 I CB -0.639 37.105 38.000 -0.426 0.000 1.044 707 I HN -0.017 nan 8.210 nan 0.000 0.408 708 E N 0.899 120.951 120.200 -0.246 0.000 2.077 708 E HA -0.267 4.081 4.350 -0.003 0.000 0.193 708 E C 2.037 178.512 176.600 -0.208 0.000 0.989 708 E CA 1.175 57.458 56.400 -0.196 0.000 0.800 708 E CB -0.414 29.197 29.700 -0.147 0.000 0.746 708 E HN 0.473 nan 8.360 nan 0.000 0.452 709 K N 0.637 120.893 120.400 -0.239 0.000 2.057 709 K HA -0.106 4.213 4.320 -0.003 0.000 0.207 709 K C 2.058 178.459 176.600 -0.330 0.000 1.049 709 K CA 1.668 57.808 56.287 -0.245 0.000 0.931 709 K CB -0.067 32.305 32.500 -0.214 0.000 0.714 709 K HN 0.014 nan 8.250 nan 0.000 0.440 710 T N 2.168 116.400 114.554 -0.537 0.000 2.746 710 T HA -0.110 4.239 4.350 -0.003 0.000 0.267 710 T C 1.870 176.387 174.700 -0.304 0.000 1.039 710 T CA 1.353 63.125 62.100 -0.546 0.000 1.142 710 T CB -0.120 68.189 68.868 -0.930 0.000 0.866 710 T HN 0.170 nan 8.240 nan 0.000 0.444 711 L N 0.728 121.812 121.223 -0.232 0.000 2.056 711 L HA -0.073 4.265 4.340 -0.003 0.000 0.207 711 L C 2.830 179.626 176.870 -0.123 0.000 1.078 711 L CA 1.345 56.112 54.840 -0.122 0.000 0.749 711 L CB -0.553 41.466 42.059 -0.066 0.000 0.901 711 L HN 0.244 nan 8.230 nan 0.000 0.433 712 E N 1.012 121.129 120.200 -0.138 0.000 2.058 712 E HA -0.304 4.045 4.350 -0.003 0.000 0.194 712 E C 1.996 178.517 176.600 -0.131 0.000 0.997 712 E CA 1.861 58.191 56.400 -0.117 0.000 0.801 712 E CB -0.125 29.508 29.700 -0.111 0.000 0.746 712 E HN 0.445 nan 8.360 nan 0.000 0.450 713 E N -0.983 119.117 120.200 -0.168 0.000 2.152 713 E HA -0.072 4.276 4.350 -0.003 0.000 0.192 713 E C 1.952 178.415 176.600 -0.229 0.000 0.983 713 E CA 0.884 57.170 56.400 -0.191 0.000 0.818 713 E CB -0.437 29.137 29.700 -0.209 0.000 0.758 713 E HN 0.424 nan 8.360 nan 0.000 0.467 714 G N 0.693 109.368 108.800 -0.208 0.000 2.422 714 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.218 714 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.218 714 G C 1.613 176.429 174.900 -0.139 0.000 1.140 714 G CA 0.313 45.294 45.100 -0.198 0.000 0.775 714 G HN 0.138 nan 8.290 nan 0.000 0.545 715 R N -0.420 120.018 120.500 -0.104 0.000 2.090 715 R HA 0.090 4.428 4.340 -0.003 0.000 0.228 715 R C 2.606 178.867 176.300 -0.065 0.000 1.110 715 R CA 0.867 56.928 56.100 -0.065 0.000 0.973 715 R CB -0.193 30.076 30.300 -0.052 0.000 0.869 715 R HN 0.244 nan 8.270 nan 0.000 0.440 716 R N 0.859 121.303 120.500 -0.093 0.000 2.062 716 R HA -0.029 4.310 4.340 -0.003 0.000 0.226 716 R C 1.955 178.204 176.300 -0.086 0.000 1.125 716 R CA 1.210 57.262 56.100 -0.080 0.000 0.966 716 R CB 0.148 30.395 30.300 -0.089 0.000 0.861 716 R HN 0.107 nan 8.270 nan 0.000 0.433 717 R N -1.292 119.104 120.500 -0.174 0.000 2.210 717 R HA 0.119 4.457 4.340 -0.003 0.000 0.203 717 R C 1.134 177.385 176.300 -0.082 0.000 1.010 717 R CA 0.703 56.673 56.100 -0.217 0.000 1.008 717 R CB 0.427 30.365 30.300 -0.603 0.000 0.923 717 R HN 0.520 nan 8.270 nan 0.000 0.469 718 G N 0.568 109.319 108.800 -0.081 0.000 2.176 718 G HA2 -0.299 3.660 3.960 -0.003 0.000 0.253 718 G HA3 -0.299 3.660 3.960 -0.003 0.000 0.253 718 G C -0.154 174.817 174.900 0.118 0.000 0.979 718 G CA 0.597 45.750 45.100 0.088 0.000 0.641 718 G HN 0.482 nan 8.290 nan 0.000 0.530 719 Y N -1.963 118.240 120.300 -0.162 0.000 2.638 719 Y HA 0.755 5.303 4.550 -0.003 0.000 0.335 719 Y C -0.212 175.559 175.900 -0.215 0.000 1.155 719 Y CA -1.254 56.656 58.100 -0.317 0.000 1.046 719 Y CB 0.981 38.940 38.460 -0.834 0.000 1.303 719 Y HN 0.883 nan 8.280 nan 0.000 0.460 720 V N -0.880 119.013 119.914 -0.035 0.000 3.103 720 V HA 0.922 5.040 4.120 -0.003 0.000 0.318 720 V C -0.860 175.288 176.094 0.090 0.000 1.114 720 V CA -0.868 61.404 62.300 -0.045 0.000 1.020 720 V CB 1.746 33.543 31.823 -0.044 0.000 1.085 720 V HN 1.116 nan 8.190 nan 0.000 0.446 721 E N 0.125 120.369 120.200 0.073 0.000 2.408 721 E HA 0.605 4.953 4.350 -0.003 0.000 0.275 721 E C -0.711 175.943 176.600 0.089 0.000 0.935 721 E CA -0.645 55.811 56.400 0.094 0.000 0.775 721 E CB 2.079 31.855 29.700 0.128 0.000 1.277 721 E HN 0.909 nan 8.360 nan 0.000 0.455 722 T N -0.823 113.776 114.554 0.076 0.000 2.788 722 T HA 0.135 4.483 4.350 -0.003 0.000 0.280 722 T C 1.184 175.871 174.700 -0.021 0.000 0.984 722 T CA -0.665 61.467 62.100 0.054 0.000 0.972 722 T CB 0.753 69.664 68.868 0.071 0.000 1.039 722 T HN 0.496 nan 8.240 nan 0.000 0.530 723 L N -0.226 120.901 121.223 -0.160 0.000 2.137 723 L HA 0.015 4.354 4.340 -0.003 0.000 0.213 723 L C 1.601 178.199 176.870 -0.453 0.000 1.085 723 L CA 1.840 56.464 54.840 -0.359 0.000 0.760 723 L CB -1.014 40.652 42.059 -0.654 0.000 0.893 723 L HN 0.731 nan 8.230 nan 0.000 0.434 724 F N -0.341 119.554 119.950 -0.093 0.000 2.765 724 F HA 0.405 4.930 4.527 -0.002 0.000 0.302 724 F C 1.870 177.639 175.800 -0.052 0.000 1.111 724 F CA 0.298 58.215 58.000 -0.138 0.000 1.359 724 F CB -0.330 38.605 39.000 -0.109 0.000 1.097 724 F HN 0.151 nan 8.300 nan 0.000 0.577 725 G N 0.843 109.706 108.800 0.105 0.000 2.141 725 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.231 725 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.231 725 G C 0.490 175.437 174.900 0.080 0.000 0.984 725 G CA -0.271 44.880 45.100 0.085 0.000 0.660 725 G HN 0.363 nan 8.290 nan 0.000 0.525 726 R N 0.546 121.107 120.500 0.103 0.000 2.570 726 R HA 0.438 4.776 4.340 -0.003 0.000 0.277 726 R C 0.356 176.658 176.300 0.004 0.000 1.039 726 R CA 0.022 56.155 56.100 0.054 0.000 1.065 726 R CB 0.242 30.591 30.300 0.082 0.000 0.964 726 R HN 0.381 nan 8.270 nan 0.000 0.428 727 R N 2.857 123.313 120.500 -0.073 0.000 2.532 727 R HA 0.358 4.697 4.340 -0.003 0.000 0.295 727 R C -0.466 175.762 176.300 -0.120 0.000 0.968 727 R CA -0.797 55.220 56.100 -0.139 0.000 0.916 727 R CB 1.857 31.916 30.300 -0.402 0.000 1.124 727 R HN 0.501 nan 8.270 nan 0.000 0.463 728 R N 2.698 123.145 120.500 -0.089 0.000 2.502 728 R HA 0.230 4.569 4.340 -0.003 0.000 0.300 728 R C -1.334 174.943 176.300 -0.038 0.000 0.984 728 R CA -0.596 55.489 56.100 -0.025 0.000 0.882 728 R CB 0.918 31.225 30.300 0.011 0.000 1.180 728 R HN 0.570 nan 8.270 nan 0.000 0.444 729 Y N 3.000 123.334 120.300 0.057 0.000 2.402 729 Y HA 0.196 4.744 4.550 -0.002 0.000 0.333 729 Y C 0.268 176.203 175.900 0.058 0.000 1.076 729 Y CA -0.192 57.962 58.100 0.091 0.000 1.299 729 Y CB 1.554 40.046 38.460 0.053 0.000 1.197 729 Y HN 0.209 nan 8.280 nan 0.000 0.517 730 V N 6.660 126.670 119.914 0.159 0.000 2.313 730 V HA 0.149 4.267 4.120 -0.003 0.000 0.262 730 V C -2.006 174.136 176.094 0.080 0.000 1.011 730 V CA -1.428 60.926 62.300 0.089 0.000 0.858 730 V CB 0.837 32.682 31.823 0.036 0.000 1.104 730 V HN 0.653 nan 8.190 nan 0.000 0.456 731 P HA -0.121 nan 4.420 nan 0.000 0.215 731 P C 0.962 178.287 177.300 0.040 0.000 1.157 731 P CA 1.218 64.360 63.100 0.070 0.000 0.868 731 P CB 0.252 31.988 31.700 0.059 0.000 0.788 732 D N -1.041 119.379 120.400 0.032 0.000 2.407 732 D HA -0.039 4.600 4.640 -0.003 0.000 0.234 732 D C 1.607 177.917 176.300 0.016 0.000 1.029 732 D CA 0.404 54.417 54.000 0.021 0.000 0.937 732 D CB -0.563 40.247 40.800 0.017 0.000 0.882 732 D HN 0.235 nan 8.370 nan 0.000 0.531 733 L N 0.337 121.570 121.223 0.016 0.000 2.362 733 L HA -0.079 4.260 4.340 -0.003 0.000 0.219 733 L C 1.559 178.432 176.870 0.005 0.000 1.134 733 L CA 0.902 55.746 54.840 0.008 0.000 0.807 733 L CB 0.007 42.065 42.059 -0.002 0.000 0.927 733 L HN -0.060 nan 8.230 nan 0.000 0.447 734 E N 0.219 120.424 120.200 0.008 0.000 2.499 734 E HA 0.237 4.586 4.350 -0.003 0.000 0.199 734 E C 0.472 177.076 176.600 0.007 0.000 1.016 734 E CA -0.105 56.298 56.400 0.005 0.000 0.933 734 E CB 0.565 30.268 29.700 0.006 0.000 1.050 734 E HN 0.248 nan 8.360 nan 0.000 0.462 735 A N 1.506 124.331 122.820 0.009 0.000 2.445 735 A HA 0.140 4.458 4.320 -0.003 0.000 0.242 735 A C 1.121 178.710 177.584 0.008 0.000 1.075 735 A CA -0.175 51.868 52.037 0.009 0.000 0.777 735 A CB 0.449 19.455 19.000 0.010 0.000 1.013 735 A HN -0.000 nan 8.150 nan 0.000 0.493 736 R N 1.218 121.722 120.500 0.007 0.000 2.317 736 R HA 0.100 4.438 4.340 -0.003 0.000 0.208 736 R C -0.298 176.006 176.300 0.008 0.000 0.914 736 R CA 0.262 56.365 56.100 0.006 0.000 1.060 736 R CB -0.632 29.671 30.300 0.005 0.000 1.015 736 R HN 0.422 nan 8.270 nan 0.000 0.498 737 V N 2.088 122.007 119.914 0.009 0.000 2.350 737 V HA 0.142 4.260 4.120 -0.003 0.000 0.276 737 V C 1.593 177.694 176.094 0.012 0.000 1.028 737 V CA -0.527 61.779 62.300 0.010 0.000 0.860 737 V CB 1.808 33.636 31.823 0.009 0.000 0.990 737 V HN 0.089 nan 8.190 nan 0.000 0.453 738 K N 3.593 124.002 120.400 0.015 0.000 2.074 738 K HA -0.206 4.112 4.320 -0.003 0.000 0.209 738 K C 2.234 178.846 176.600 0.020 0.000 1.048 738 K CA 2.207 58.505 56.287 0.019 0.000 0.926 738 K CB -0.061 32.453 32.500 0.022 0.000 0.713 738 K HN 0.828 nan 8.250 nan 0.000 0.444 739 S N -0.213 115.498 115.700 0.018 0.000 2.368 739 S HA -0.122 4.347 4.470 -0.003 0.000 0.225 739 S C 2.035 176.643 174.600 0.013 0.000 1.030 739 S CA 1.429 59.639 58.200 0.016 0.000 0.999 739 S CB -0.611 62.597 63.200 0.013 0.000 0.844 739 S HN 0.135 nan 8.310 nan 0.000 0.459 740 V N 2.431 122.352 119.914 0.012 0.000 2.307 740 V HA -0.108 4.011 4.120 -0.003 0.000 0.245 740 V C 2.947 179.049 176.094 0.012 0.000 1.045 740 V CA 2.123 64.429 62.300 0.010 0.000 1.024 740 V CB -0.899 30.929 31.823 0.009 0.000 0.651 740 V HN 0.532 nan 8.190 nan 0.000 0.449 741 R N 0.104 120.612 120.500 0.015 0.000 2.083 741 R HA -0.220 4.118 4.340 -0.003 0.000 0.237 741 R C 2.290 178.605 176.300 0.025 0.000 1.137 741 R CA 2.202 58.312 56.100 0.018 0.000 0.951 741 R CB -0.235 30.075 30.300 0.017 0.000 0.851 741 R HN 0.614 nan 8.270 nan 0.000 0.434 742 E N -0.361 119.857 120.200 0.030 0.000 2.106 742 E HA -0.149 4.199 4.350 -0.003 0.000 0.192 742 E C 1.955 178.578 176.600 0.039 0.000 0.984 742 E CA 0.926 57.353 56.400 0.045 0.000 0.806 742 E CB -0.067 29.661 29.700 0.047 0.000 0.750 742 E HN 0.484 nan 8.360 nan 0.000 0.458 743 A N 1.649 124.481 122.820 0.019 0.000 1.883 743 A HA -0.179 4.140 4.320 -0.003 0.000 0.217 743 A C 2.422 179.999 177.584 -0.012 0.000 1.186 743 A CA 1.825 53.863 52.037 0.002 0.000 0.624 743 A CB -0.731 18.268 19.000 -0.002 0.000 0.822 743 A HN 0.303 nan 8.150 nan 0.000 0.444 744 A N -0.255 122.563 122.820 -0.002 0.000 1.940 744 A HA -0.206 4.112 4.320 -0.003 0.000 0.219 744 A C 1.899 179.474 177.584 -0.014 0.000 1.176 744 A CA 1.752 53.785 52.037 -0.007 0.000 0.631 744 A CB -0.591 18.413 19.000 0.007 0.000 0.814 744 A HN 0.664 nan 8.150 nan 0.000 0.446 745 E N -0.609 119.603 120.200 0.019 0.000 2.110 745 E HA -0.200 4.149 4.350 -0.003 0.000 0.193 745 E C 2.324 178.910 176.600 -0.024 0.000 0.988 745 E CA 1.177 57.620 56.400 0.071 0.000 0.804 745 E CB -0.166 29.620 29.700 0.144 0.000 0.745 745 E HN 0.558 nan 8.360 nan 0.000 0.458 746 R N 0.085 120.515 120.500 -0.117 0.000 2.092 746 R HA -0.025 4.313 4.340 -0.003 0.000 0.231 746 R C 2.402 178.391 176.300 -0.519 0.000 1.119 746 R CA 1.202 57.037 56.100 -0.441 0.000 0.970 746 R CB -0.147 30.067 30.300 -0.144 0.000 0.864 746 R HN 0.202 nan 8.270 nan 0.000 0.440 747 M N 0.010 119.465 119.600 -0.242 0.000 2.117 747 M HA -0.129 4.349 4.480 -0.003 0.000 0.262 747 M C 2.513 178.715 176.300 -0.164 0.000 1.065 747 M CA 1.753 56.953 55.300 -0.167 0.000 1.114 747 M CB -0.349 32.203 32.600 -0.080 0.000 1.361 747 M HN 0.223 nan 8.290 nan 0.000 0.408 748 A N 1.170 123.904 122.820 -0.143 0.000 1.835 748 A HA -0.170 4.148 4.320 -0.003 0.000 0.215 748 A C 1.889 179.453 177.584 -0.033 0.000 1.199 748 A CA 1.808 53.807 52.037 -0.063 0.000 0.615 748 A CB -1.137 17.854 19.000 -0.016 0.000 0.838 748 A HN 0.618 nan 8.150 nan 0.000 0.444 749 F N 0.934 120.893 119.950 0.016 0.000 2.502 749 F HA 0.016 4.541 4.527 -0.003 0.000 0.298 749 F C 1.471 177.403 175.800 0.221 0.000 1.111 749 F CA 1.130 59.148 58.000 0.031 0.000 1.445 749 F CB -1.106 37.886 39.000 -0.013 0.000 1.081 749 F HN 0.299 nan 8.300 nan 0.000 0.558 750 N N 0.226 118.825 118.700 -0.168 0.000 2.354 750 N HA -0.176 4.563 4.740 -0.003 0.000 0.179 750 N C 1.973 177.555 175.510 0.121 0.000 1.021 750 N CA 1.129 54.201 53.050 0.038 0.000 0.887 750 N CB -0.247 38.180 38.487 -0.099 0.000 0.974 750 N HN 0.321 nan 8.380 nan 0.000 0.437 751 M N 0.856 120.500 119.600 0.073 0.000 2.117 751 M HA -0.021 4.458 4.480 -0.003 0.000 0.262 751 M C -1.147 175.230 176.300 0.129 0.000 1.065 751 M CA 1.541 56.888 55.300 0.079 0.000 1.114 751 M CB -1.511 31.115 32.600 0.044 0.000 1.361 751 M HN 0.053 nan 8.290 nan 0.000 0.408 752 P HA -0.095 nan 4.420 nan 0.000 0.218 752 P C 1.817 179.228 177.300 0.184 0.000 1.149 752 P CA 1.117 64.361 63.100 0.240 0.000 0.817 752 P CB -0.058 31.910 31.700 0.448 0.000 0.785 753 V N -0.287 119.744 119.914 0.194 0.000 2.273 753 V HA -0.225 3.893 4.120 -0.003 0.000 0.242 753 V C 2.704 178.830 176.094 0.053 0.000 1.035 753 V CA 1.802 64.146 62.300 0.074 0.000 1.013 753 V CB -1.311 30.556 31.823 0.074 0.000 0.652 753 V HN 0.119 nan 8.190 nan 0.000 0.452 754 Q N 0.253 120.100 119.800 0.079 0.000 2.135 754 Q HA -0.181 4.158 4.340 -0.003 0.000 0.204 754 Q C 2.121 178.155 176.000 0.057 0.000 0.981 754 Q CA 2.155 57.993 55.803 0.059 0.000 0.856 754 Q CB -0.454 28.319 28.738 0.059 0.000 0.902 754 Q HN 0.655 nan 8.270 nan 0.000 0.425 755 G N -0.893 107.950 108.800 0.070 0.000 2.430 755 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.216 755 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.216 755 G C 1.299 176.249 174.900 0.084 0.000 1.146 755 G CA 0.997 46.146 45.100 0.081 0.000 0.793 755 G HN 0.344 nan 8.290 nan 0.000 0.537 756 T N 1.686 116.269 114.554 0.048 0.000 2.777 756 T HA 0.040 4.389 4.350 -0.003 0.000 0.266 756 T C 2.817 177.521 174.700 0.006 0.000 1.040 756 T CA 1.344 63.447 62.100 0.005 0.000 1.141 756 T CB -0.295 68.522 68.868 -0.086 0.000 0.868 756 T HN 0.334 nan 8.240 nan 0.000 0.444 757 A N 1.310 124.119 122.820 -0.020 0.000 1.972 757 A HA 0.160 4.478 4.320 -0.003 0.000 0.219 757 A C 2.573 180.151 177.584 -0.010 0.000 1.169 757 A CA 1.770 53.773 52.037 -0.056 0.000 0.635 757 A CB -0.917 18.053 19.000 -0.050 0.000 0.810 757 A HN 0.506 nan 8.150 nan 0.000 0.446 758 A N 0.028 122.879 122.820 0.051 0.000 1.897 758 A HA -0.116 4.202 4.320 -0.003 0.000 0.215 758 A C 1.760 179.401 177.584 0.094 0.000 1.181 758 A CA 1.668 53.757 52.037 0.087 0.000 0.620 758 A CB -0.505 18.563 19.000 0.114 0.000 0.821 758 A HN 0.430 nan 8.150 nan 0.000 0.443 759 D N 0.301 120.781 120.400 0.135 0.000 2.123 759 D HA -0.143 4.495 4.640 -0.003 0.000 0.196 759 D C 1.943 178.316 176.300 0.123 0.000 0.992 759 D CA 1.125 55.229 54.000 0.173 0.000 0.833 759 D CB -0.383 40.670 40.800 0.421 0.000 0.954 759 D HN 0.450 nan 8.370 nan 0.000 0.455 760 L N -0.116 121.187 121.223 0.134 0.000 2.017 760 L HA -0.183 4.155 4.340 -0.003 0.000 0.208 760 L C 2.429 179.316 176.870 0.028 0.000 1.073 760 L CA 0.881 55.762 54.840 0.068 0.000 0.745 760 L CB -0.356 41.662 42.059 -0.069 0.000 0.894 760 L HN 0.058 nan 8.230 nan 0.000 0.432 761 M N 0.146 119.751 119.600 0.008 0.000 2.117 761 M HA -0.197 4.282 4.480 -0.003 0.000 0.262 761 M C 2.139 178.482 176.300 0.072 0.000 1.065 761 M CA 1.834 57.190 55.300 0.093 0.000 1.114 761 M CB -0.331 32.331 32.600 0.104 0.000 1.361 761 M HN -0.042 nan 8.290 nan 0.000 0.408 762 K N -0.459 119.964 120.400 0.038 0.000 2.032 762 K HA -0.177 4.142 4.320 -0.003 0.000 0.209 762 K C 1.941 178.530 176.600 -0.019 0.000 1.048 762 K CA 1.630 57.917 56.287 0.000 0.000 0.927 762 K CB -0.707 31.794 32.500 0.002 0.000 0.712 762 K HN 0.311 nan 8.250 nan 0.000 0.441 763 L N 1.134 122.346 121.223 -0.018 0.000 2.046 763 L HA -0.132 4.207 4.340 -0.003 0.000 0.208 763 L C 2.192 179.079 176.870 0.029 0.000 1.077 763 L CA 1.774 56.596 54.840 -0.029 0.000 0.747 763 L CB -0.713 41.327 42.059 -0.032 0.000 0.896 763 L HN 0.134 nan 8.230 nan 0.000 0.432 764 A N -0.773 122.095 122.820 0.080 0.000 1.902 764 A HA -0.242 4.077 4.320 -0.003 0.000 0.217 764 A C 2.264 179.894 177.584 0.077 0.000 1.181 764 A CA 2.131 54.237 52.037 0.116 0.000 0.623 764 A CB -0.546 18.583 19.000 0.214 0.000 0.818 764 A HN 0.523 nan 8.150 nan 0.000 0.443 765 M N -0.736 118.894 119.600 0.051 0.000 2.108 765 M HA -0.142 4.337 4.480 -0.003 0.000 0.261 765 M C 2.079 178.399 176.300 0.034 0.000 1.066 765 M CA 1.416 56.731 55.300 0.025 0.000 1.107 765 M CB -0.520 32.059 32.600 -0.036 0.000 1.356 765 M HN 0.239 nan 8.290 nan 0.000 0.406 766 V N 0.667 120.581 119.914 -0.001 0.000 2.343 766 V HA -0.277 3.842 4.120 -0.003 0.000 0.247 766 V C 2.226 178.345 176.094 0.043 0.000 1.051 766 V CA 1.854 64.149 62.300 -0.008 0.000 1.036 766 V CB -0.657 31.125 31.823 -0.068 0.000 0.654 766 V HN 0.458 nan 8.190 nan 0.000 0.451 767 K N -0.524 119.901 120.400 0.041 0.000 2.062 767 K HA -0.101 4.218 4.320 -0.003 0.000 0.205 767 K C 2.060 178.695 176.600 0.058 0.000 1.051 767 K CA 1.106 57.422 56.287 0.048 0.000 0.941 767 K CB -0.288 32.244 32.500 0.054 0.000 0.719 767 K HN 0.258 nan 8.250 nan 0.000 0.440 768 L N 0.635 121.900 121.223 0.071 0.000 2.109 768 L HA -0.058 4.280 4.340 -0.003 0.000 0.207 768 L C 1.952 178.861 176.870 0.066 0.000 1.086 768 L CA 1.321 56.195 54.840 0.057 0.000 0.760 768 L CB -0.520 41.571 42.059 0.053 0.000 0.910 768 L HN 0.045 nan 8.230 nan 0.000 0.437 769 F N 1.481 121.407 119.950 -0.039 0.000 2.095 769 F HA -0.126 4.399 4.527 -0.003 0.000 0.298 769 F C -0.584 175.181 175.800 -0.058 0.000 1.104 769 F CA 1.712 59.681 58.000 -0.052 0.000 1.232 769 F CB -1.625 37.342 39.000 -0.055 0.000 0.987 769 F HN 0.182 nan 8.300 nan 0.000 0.475 770 P HA -0.134 nan 4.420 nan 0.000 0.218 770 P C 1.345 178.520 177.300 -0.209 0.000 1.149 770 P CA 1.419 64.397 63.100 -0.204 0.000 0.817 770 P CB -0.144 31.528 31.700 -0.046 0.000 0.785 771 R N -0.423 119.997 120.500 -0.133 0.000 2.092 771 R HA 0.024 4.362 4.340 -0.003 0.000 0.231 771 R C 2.325 178.541 176.300 -0.140 0.000 1.119 771 R CA 0.978 57.013 56.100 -0.107 0.000 0.970 771 R CB -1.639 28.626 30.300 -0.059 0.000 0.864 771 R HN 0.323 nan 8.270 nan 0.000 0.440 772 L N 0.391 121.504 121.223 -0.183 0.000 2.056 772 L HA -0.114 4.224 4.340 -0.003 0.000 0.207 772 L C 2.457 179.188 176.870 -0.232 0.000 1.078 772 L CA 1.169 55.903 54.840 -0.178 0.000 0.749 772 L CB -0.445 41.519 42.059 -0.159 0.000 0.901 772 L HN 0.145 nan 8.230 nan 0.000 0.433 773 E N 0.662 120.626 120.200 -0.393 0.000 2.070 773 E HA -0.287 4.061 4.350 -0.003 0.000 0.197 773 E C 2.014 178.490 176.600 -0.207 0.000 1.004 773 E CA 1.911 58.087 56.400 -0.373 0.000 0.805 773 E CB 0.030 29.428 29.700 -0.503 0.000 0.744 773 E HN 0.587 nan 8.360 nan 0.000 0.451 774 E N -0.426 119.669 120.200 -0.175 0.000 2.347 774 E HA -0.158 4.191 4.350 -0.003 0.000 0.196 774 E C 1.483 178.025 176.600 -0.097 0.000 1.008 774 E CA 0.798 57.127 56.400 -0.117 0.000 0.852 774 E CB -0.104 29.538 29.700 -0.098 0.000 0.783 774 E HN 0.372 nan 8.360 nan 0.000 0.505 775 M N 0.485 120.023 119.600 -0.103 0.000 2.431 775 M HA 0.221 4.699 4.480 -0.003 0.000 0.237 775 M C 0.828 177.074 176.300 -0.090 0.000 1.130 775 M CA 0.499 55.744 55.300 -0.091 0.000 1.002 775 M CB 0.887 33.435 32.600 -0.086 0.000 1.524 775 M HN 0.282 nan 8.290 nan 0.000 0.482 776 G N 1.884 110.638 108.800 -0.075 0.000 2.273 776 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.280 776 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.280 776 G C -0.072 174.846 174.900 0.031 0.000 1.047 776 G CA 0.292 45.375 45.100 -0.029 0.000 0.869 776 G HN 0.672 nan 8.290 nan 0.000 0.502 777 A N -0.726 122.106 122.820 0.020 0.000 2.350 777 A HA 0.984 5.303 4.320 -0.003 0.000 0.318 777 A C 0.258 177.900 177.584 0.097 0.000 1.132 777 A CA -0.778 51.327 52.037 0.114 0.000 0.811 777 A CB 1.235 20.253 19.000 0.029 0.000 1.313 777 A HN 0.528 nan 8.150 nan 0.000 0.454 778 R N 0.131 120.722 120.500 0.152 0.000 2.670 778 R HA 0.522 4.860 4.340 -0.003 0.000 0.289 778 R C -0.761 175.580 176.300 0.068 0.000 0.965 778 R CA -0.453 55.697 56.100 0.083 0.000 0.899 778 R CB 2.116 32.438 30.300 0.037 0.000 1.173 778 R HN 0.795 nan 8.270 nan 0.000 0.456 779 M N 4.224 123.884 119.600 0.100 0.000 2.144 779 M HA 0.230 4.708 4.480 -0.003 0.000 0.356 779 M C -0.399 175.920 176.300 0.031 0.000 1.217 779 M CA -0.087 55.255 55.300 0.070 0.000 1.087 779 M CB 0.711 33.394 32.600 0.137 0.000 1.609 779 M HN 0.690 nan 8.290 nan 0.000 0.467 780 L N 4.815 126.021 121.223 -0.029 0.000 2.435 780 L HA 0.377 4.715 4.340 -0.003 0.000 0.195 780 L C -0.183 176.688 176.870 0.001 0.000 1.072 780 L CA 0.240 55.059 54.840 -0.034 0.000 0.833 780 L CB 0.207 42.206 42.059 -0.100 0.000 1.081 780 L HN 0.591 nan 8.230 nan 0.000 0.485 781 L N -0.534 120.643 121.223 -0.077 0.000 2.376 781 L HA 0.490 4.828 4.340 -0.003 0.000 0.258 781 L C -0.986 175.811 176.870 -0.122 0.000 1.013 781 L CA -0.531 54.311 54.840 0.004 0.000 0.822 781 L CB 2.258 44.270 42.059 -0.077 0.000 1.388 781 L HN -0.046 nan 8.230 nan 0.000 0.413 782 Q N 1.439 121.149 119.800 -0.151 0.000 2.337 782 Q HA 0.499 4.837 4.340 -0.003 0.000 0.270 782 Q C -1.734 174.243 176.000 -0.039 0.000 1.043 782 Q CA -0.471 55.244 55.803 -0.147 0.000 0.794 782 Q CB 2.705 31.258 28.738 -0.309 0.000 1.281 782 Q HN 0.522 nan 8.270 nan 0.000 0.446 783 V N 6.218 126.111 119.914 -0.036 0.000 2.454 783 V HA 0.240 4.358 4.120 -0.003 0.000 0.255 783 V C 0.276 176.285 176.094 -0.142 0.000 1.009 783 V CA -0.342 61.870 62.300 -0.146 0.000 1.149 783 V CB -0.397 31.480 31.823 0.091 0.000 1.418 783 V HN 0.936 nan 8.190 nan 0.000 0.567 784 H N 1.772 120.913 119.070 0.119 0.000 4.884 784 H HA -0.225 4.330 4.556 -0.003 0.000 0.061 784 H C 1.251 176.645 175.328 0.111 0.000 0.590 784 H CA 2.263 58.371 56.048 0.100 0.000 0.961 784 H CB -1.044 28.770 29.762 0.086 0.000 0.443 784 H HN 0.811 nan 8.280 nan 0.000 0.794 785 D N 1.678 122.228 120.400 0.250 0.000 2.479 785 D HA 0.253 4.891 4.640 -0.003 0.000 0.218 785 D C 0.407 176.864 176.300 0.261 0.000 1.177 785 D CA 0.303 54.458 54.000 0.259 0.000 0.830 785 D CB 0.842 41.775 40.800 0.221 0.000 1.014 785 D HN 0.614 nan 8.370 nan 0.000 0.503 786 E N 0.387 120.695 120.200 0.179 0.000 2.314 786 E HA 0.530 4.878 4.350 -0.003 0.000 0.272 786 E C -1.468 175.178 176.600 0.078 0.000 0.884 786 E CA -0.800 55.678 56.400 0.131 0.000 0.753 786 E CB 1.904 31.701 29.700 0.162 0.000 1.213 786 E HN 0.004 nan 8.360 nan 0.000 0.432 787 L N 3.222 124.465 121.223 0.033 0.000 2.365 787 L HA 0.563 4.902 4.340 -0.003 0.000 0.273 787 L C -0.966 175.879 176.870 -0.041 0.000 1.000 787 L CA -1.175 53.655 54.840 -0.017 0.000 0.819 787 L CB 2.126 44.167 42.059 -0.029 0.000 1.284 787 L HN 0.374 nan 8.230 nan 0.000 0.418 788 V N 4.537 124.382 119.914 -0.114 0.000 2.409 788 V HA 0.483 4.601 4.120 -0.003 0.000 0.291 788 V C 0.029 176.036 176.094 -0.144 0.000 1.020 788 V CA -0.387 61.794 62.300 -0.199 0.000 0.848 788 V CB 1.729 33.252 31.823 -0.499 0.000 0.990 788 V HN 0.520 nan 8.190 nan 0.000 0.430 789 L N 3.334 124.505 121.223 -0.086 0.000 2.304 789 L HA 0.731 5.069 4.340 -0.003 0.000 0.268 789 L C -0.183 176.687 176.870 0.001 0.000 1.010 789 L CA -0.725 54.097 54.840 -0.030 0.000 0.813 789 L CB 2.047 44.106 42.059 -0.001 0.000 1.315 789 L HN 0.550 nan 8.230 nan 0.000 0.445 790 E N 0.379 120.621 120.200 0.070 0.000 2.234 790 E HA 0.716 5.065 4.350 -0.003 0.000 0.266 790 E C -1.616 175.228 176.600 0.407 0.000 0.877 790 E CA -0.558 55.955 56.400 0.189 0.000 0.758 790 E CB 2.284 32.027 29.700 0.073 0.000 1.170 790 E HN 0.680 nan 8.360 nan 0.000 0.415 791 A N 4.596 127.663 122.820 0.412 0.000 2.515 791 A HA 0.660 4.978 4.320 -0.003 0.000 0.298 791 A C -2.768 174.650 177.584 -0.277 0.000 1.059 791 A CA -1.736 50.365 52.037 0.106 0.000 0.698 791 A CB 1.470 20.461 19.000 -0.014 0.000 1.289 791 A HN 0.406 nan 8.150 nan 0.000 0.404 792 P HA 0.071 nan 4.420 nan 0.000 0.265 792 P C 0.482 177.518 177.300 -0.441 0.000 1.193 792 P CA 0.147 62.617 63.100 -1.051 0.000 0.765 792 P CB 0.529 31.691 31.700 -0.897 0.000 0.823 793 K N 2.728 122.944 120.400 -0.307 0.000 2.059 793 K HA -0.242 4.076 4.320 -0.003 0.000 0.212 793 K C 1.743 178.264 176.600 -0.133 0.000 1.050 793 K CA 1.808 58.009 56.287 -0.144 0.000 0.927 793 K CB -0.174 32.272 32.500 -0.089 0.000 0.714 793 K HN 0.632 nan 8.250 nan 0.000 0.447 794 E N 1.039 121.143 120.200 -0.159 0.000 2.338 794 E HA -0.192 4.156 4.350 -0.003 0.000 0.197 794 E C 1.356 177.884 176.600 -0.121 0.000 1.007 794 E CA 1.163 57.490 56.400 -0.122 0.000 0.849 794 E CB -0.026 29.602 29.700 -0.118 0.000 0.774 794 E HN 0.328 nan 8.360 nan 0.000 0.506 795 R N -0.047 120.359 120.500 -0.157 0.000 2.334 795 R HA 0.335 4.673 4.340 -0.003 0.000 0.212 795 R C 2.189 178.427 176.300 -0.103 0.000 0.897 795 R CA 0.498 56.518 56.100 -0.133 0.000 1.056 795 R CB 0.222 30.422 30.300 -0.167 0.000 1.046 795 R HN 0.184 nan 8.270 nan 0.000 0.513 796 A N 1.766 124.528 122.820 -0.096 0.000 1.917 796 A HA -0.214 4.105 4.320 -0.003 0.000 0.219 796 A C 1.870 179.429 177.584 -0.041 0.000 1.182 796 A CA 1.406 53.408 52.037 -0.058 0.000 0.633 796 A CB -0.171 18.805 19.000 -0.039 0.000 0.819 796 A HN 0.128 nan 8.150 nan 0.000 0.448 797 E N -0.242 119.933 120.200 -0.041 0.000 2.031 797 E HA -0.162 4.186 4.350 -0.003 0.000 0.193 797 E C 2.438 179.017 176.600 -0.034 0.000 0.994 797 E CA 1.356 57.737 56.400 -0.032 0.000 0.800 797 E CB -0.655 29.027 29.700 -0.030 0.000 0.752 797 E HN 0.564 nan 8.360 nan 0.000 0.447 798 A N 0.934 123.728 122.820 -0.043 0.000 1.902 798 A HA -0.147 4.171 4.320 -0.003 0.000 0.217 798 A C 2.640 180.199 177.584 -0.042 0.000 1.181 798 A CA 1.584 53.596 52.037 -0.043 0.000 0.623 798 A CB -0.728 18.242 19.000 -0.051 0.000 0.818 798 A HN 0.139 nan 8.150 nan 0.000 0.443 799 V N -0.116 119.770 119.914 -0.047 0.000 2.295 799 V HA -0.275 3.843 4.120 -0.003 0.000 0.246 799 V C 3.079 179.154 176.094 -0.032 0.000 1.049 799 V CA 2.053 64.328 62.300 -0.041 0.000 1.024 799 V CB -1.304 30.495 31.823 -0.040 0.000 0.648 799 V HN 0.627 nan 8.190 nan 0.000 0.447 800 A N -0.327 122.477 122.820 -0.027 0.000 1.908 800 A HA -0.246 4.072 4.320 -0.003 0.000 0.218 800 A C 2.389 179.958 177.584 -0.026 0.000 1.181 800 A CA 1.962 53.985 52.037 -0.024 0.000 0.627 800 A CB -0.533 18.457 19.000 -0.017 0.000 0.818 800 A HN 0.493 nan 8.150 nan 0.000 0.445 801 R N -1.142 119.344 120.500 -0.024 0.000 2.073 801 R HA -0.097 4.241 4.340 -0.003 0.000 0.234 801 R C 2.272 178.558 176.300 -0.023 0.000 1.134 801 R CA 1.573 57.659 56.100 -0.022 0.000 0.952 801 R CB -0.556 29.732 30.300 -0.020 0.000 0.850 801 R HN 0.593 nan 8.270 nan 0.000 0.433 802 L N 0.361 121.569 121.223 -0.026 0.000 2.027 802 L HA -0.112 4.227 4.340 -0.003 0.000 0.206 802 L C 2.346 179.202 176.870 -0.023 0.000 1.074 802 L CA 1.741 56.566 54.840 -0.024 0.000 0.745 802 L CB -0.310 41.731 42.059 -0.029 0.000 0.898 802 L HN 0.139 nan 8.230 nan 0.000 0.433 803 A N -0.312 122.491 122.820 -0.028 0.000 1.930 803 A HA -0.242 4.076 4.320 -0.003 0.000 0.217 803 A C 2.396 179.952 177.584 -0.046 0.000 1.175 803 A CA 1.841 53.859 52.037 -0.031 0.000 0.627 803 A CB -0.579 18.401 19.000 -0.033 0.000 0.815 803 A HN 0.512 nan 8.150 nan 0.000 0.443 804 K N -0.131 120.239 120.400 -0.050 0.000 2.032 804 K HA -0.234 4.085 4.320 -0.003 0.000 0.209 804 K C 2.069 178.643 176.600 -0.044 0.000 1.048 804 K CA 1.878 58.127 56.287 -0.064 0.000 0.927 804 K CB -0.212 32.261 32.500 -0.046 0.000 0.712 804 K HN 0.608 nan 8.250 nan 0.000 0.441 805 E N -0.030 120.158 120.200 -0.021 0.000 2.106 805 E HA -0.131 4.217 4.350 -0.003 0.000 0.192 805 E C 1.860 178.467 176.600 0.012 0.000 0.984 805 E CA 0.903 57.301 56.400 -0.003 0.000 0.806 805 E CB 0.200 29.899 29.700 -0.002 0.000 0.750 805 E HN 0.162 nan 8.360 nan 0.000 0.458 806 V N 1.013 120.932 119.914 0.008 0.000 2.407 806 V HA -0.274 3.844 4.120 -0.003 0.000 0.248 806 V C 2.331 178.460 176.094 0.058 0.000 1.055 806 V CA 1.801 64.119 62.300 0.029 0.000 1.049 806 V CB -0.347 31.489 31.823 0.021 0.000 0.662 806 V HN 0.380 nan 8.190 nan 0.000 0.455 807 M N -0.827 118.790 119.600 0.029 0.000 2.156 807 M HA -0.134 4.344 4.480 -0.003 0.000 0.264 807 M C 2.132 178.536 176.300 0.173 0.000 1.067 807 M CA 1.676 57.017 55.300 0.068 0.000 1.131 807 M CB -0.445 32.038 32.600 -0.194 0.000 1.368 807 M HN 0.325 nan 8.290 nan 0.000 0.416 808 E N 0.007 120.256 120.200 0.082 0.000 2.204 808 E HA -0.084 4.264 4.350 -0.003 0.000 0.194 808 E C 1.725 178.396 176.600 0.118 0.000 0.989 808 E CA 0.967 57.439 56.400 0.121 0.000 0.824 808 E CB -0.146 29.586 29.700 0.053 0.000 0.756 808 E HN 0.575 nan 8.360 nan 0.000 0.477 809 G N 0.740 109.598 108.800 0.095 0.000 3.434 809 G HA2 0.016 3.975 3.960 -0.003 0.000 0.258 809 G HA3 0.016 3.975 3.960 -0.003 0.000 0.258 809 G C 1.240 176.204 174.900 0.107 0.000 1.128 809 G CA -0.256 44.890 45.100 0.077 0.000 0.792 809 G HN 0.127 nan 8.290 nan 0.000 0.539 810 V N -0.320 119.691 119.914 0.161 0.000 2.392 810 V HA 0.024 4.143 4.120 -0.003 0.000 0.249 810 V C 0.409 176.671 176.094 0.280 0.000 1.059 810 V CA 1.503 63.923 62.300 0.200 0.000 1.051 810 V CB -0.205 31.754 31.823 0.228 0.000 0.658 810 V HN 0.413 nan 8.190 nan 0.000 0.455 811 Y N -0.020 120.336 120.300 0.093 0.000 2.265 811 Y HA 0.415 4.963 4.550 -0.003 0.000 0.324 811 Y C -2.732 173.180 175.900 0.019 0.000 1.197 811 Y CA -2.119 56.037 58.100 0.094 0.000 1.318 811 Y CB 0.753 39.331 38.460 0.198 0.000 1.223 811 Y HN 0.148 nan 8.280 nan 0.000 0.419 812 P HA 0.087 nan 4.420 nan 0.000 0.260 812 P C -0.516 176.679 177.300 -0.176 0.000 1.172 812 P CA 0.951 63.957 63.100 -0.156 0.000 0.760 812 P CB 0.583 32.179 31.700 -0.173 0.000 0.773 813 L N 1.991 123.147 121.223 -0.111 0.000 2.391 813 L HA 0.597 4.935 4.340 -0.003 0.000 0.266 813 L C 1.668 178.570 176.870 0.053 0.000 1.035 813 L CA -1.026 53.711 54.840 -0.172 0.000 0.877 813 L CB 0.337 42.194 42.059 -0.338 0.000 1.504 813 L HN 0.174 nan 8.230 nan 0.000 0.503 814 A N 0.024 123.032 122.820 0.313 0.000 2.168 814 A HA 0.179 4.497 4.320 -0.003 0.000 0.215 814 A C 0.438 178.085 177.584 0.105 0.000 1.152 814 A CA 0.832 52.986 52.037 0.195 0.000 0.716 814 A CB -0.573 18.527 19.000 0.166 0.000 0.794 814 A HN 0.436 nan 8.150 nan 0.000 0.465 815 V N -3.925 116.033 119.914 0.073 0.000 2.876 815 V HA 0.669 4.787 4.120 -0.003 0.000 0.312 815 V C -3.153 172.934 176.094 -0.013 0.000 1.085 815 V CA -2.780 59.544 62.300 0.039 0.000 0.945 815 V CB 2.012 33.849 31.823 0.024 0.000 1.017 815 V HN 0.088 nan 8.190 nan 0.000 0.428 816 P HA 0.363 nan 4.420 nan 0.000 0.275 816 P C -0.833 176.446 177.300 -0.034 0.000 1.228 816 P CA -0.195 62.907 63.100 0.004 0.000 0.786 816 P CB 0.927 32.649 31.700 0.037 0.000 0.927 817 L N 2.765 123.991 121.223 0.006 0.000 2.264 817 L HA 0.312 4.650 4.340 -0.003 0.000 0.289 817 L C 0.833 177.757 176.870 0.090 0.000 1.044 817 L CA -0.465 54.405 54.840 0.049 0.000 0.807 817 L CB 0.687 42.833 42.059 0.145 0.000 1.192 817 L HN 0.227 nan 8.230 nan 0.000 0.425 818 E N 3.669 123.916 120.200 0.079 0.000 2.175 818 E HA 0.414 4.762 4.350 -0.003 0.000 0.278 818 E C -0.839 175.793 176.600 0.054 0.000 0.969 818 E CA -0.551 55.888 56.400 0.065 0.000 0.796 818 E CB 2.871 32.611 29.700 0.066 0.000 1.104 818 E HN 0.176 nan 8.360 nan 0.000 0.395 819 V N 2.700 122.605 119.914 -0.016 0.000 2.417 819 V HA 0.161 4.279 4.120 -0.003 0.000 0.291 819 V C 0.267 176.332 176.094 -0.049 0.000 1.024 819 V CA -0.744 61.493 62.300 -0.105 0.000 0.861 819 V CB 1.614 33.290 31.823 -0.245 0.000 0.985 819 V HN 0.603 nan 8.190 nan 0.000 0.436 820 E N 4.568 124.752 120.200 -0.026 0.000 2.197 820 E HA 0.587 4.935 4.350 -0.003 0.000 0.281 820 E C -1.616 174.980 176.600 -0.007 0.000 0.995 820 E CA -0.354 56.047 56.400 0.003 0.000 0.808 820 E CB 2.102 31.822 29.700 0.035 0.000 1.093 820 E HN 0.461 nan 8.360 nan 0.000 0.394 821 V N 3.522 123.435 119.914 -0.001 0.000 2.735 821 V HA 0.835 4.954 4.120 -0.003 0.000 0.310 821 V C -0.418 175.687 176.094 0.018 0.000 1.061 821 V CA 0.036 62.336 62.300 0.001 0.000 0.913 821 V CB 1.775 33.588 31.823 -0.016 0.000 1.005 821 V HN 0.804 nan 8.190 nan 0.000 0.428 822 G N 5.510 114.328 108.800 0.031 0.000 2.612 822 G HA2 0.749 4.707 3.960 -0.003 0.000 0.298 822 G HA3 0.749 4.707 3.960 -0.003 0.000 0.298 822 G C -1.635 173.291 174.900 0.043 0.000 1.336 822 G CA -0.656 44.468 45.100 0.041 0.000 0.953 822 G HN 0.757 nan 8.290 nan 0.000 0.482 823 I N 0.466 121.059 120.570 0.039 0.000 2.545 823 I HA 0.795 4.963 4.170 -0.003 0.000 0.292 823 I C 0.398 176.543 176.117 0.045 0.000 1.040 823 I CA -0.673 60.650 61.300 0.037 0.000 1.068 823 I CB 2.539 40.552 38.000 0.021 0.000 1.251 823 I HN 0.815 nan 8.210 nan 0.000 0.424 824 G N 3.274 112.106 108.800 0.053 0.000 2.523 824 G HA2 0.272 4.231 3.960 -0.003 0.000 0.291 824 G HA3 0.272 4.231 3.960 -0.003 0.000 0.291 824 G C -0.407 174.530 174.900 0.062 0.000 1.450 824 G CA -0.442 44.693 45.100 0.057 0.000 0.790 824 G HN 0.602 nan 8.290 nan 0.000 0.496 825 E N -0.780 119.453 120.200 0.055 0.000 2.435 825 E HA 0.090 4.439 4.350 -0.003 0.000 0.195 825 E C 0.031 176.666 176.600 0.059 0.000 1.029 825 E CA 1.009 57.442 56.400 0.054 0.000 0.865 825 E CB 0.285 30.007 29.700 0.037 0.000 0.833 825 E HN 0.616 nan 8.360 nan 0.000 0.510 826 D N -2.718 117.729 120.400 0.079 0.000 2.570 826 D HA -0.007 4.632 4.640 -0.003 0.000 0.244 826 D C 0.188 176.617 176.300 0.215 0.000 1.178 826 D CA -0.879 53.195 54.000 0.124 0.000 0.881 826 D CB 0.133 40.979 40.800 0.076 0.000 1.453 826 D HN -0.235 nan 8.370 nan 0.000 0.447 827 W N 1.030 122.367 121.300 0.062 0.000 2.338 827 W HA -0.114 4.545 4.660 -0.002 0.000 0.304 827 W C 1.547 178.073 176.519 0.012 0.000 1.212 827 W CA 1.002 58.367 57.345 0.034 0.000 1.264 827 W CB -0.643 28.825 29.460 0.015 0.000 1.142 827 W HN 0.539 nan 8.180 nan 0.000 0.512 828 L N 1.480 122.822 121.223 0.199 0.000 1.994 828 L HA -0.212 4.126 4.340 -0.003 0.000 0.208 828 L C 2.827 179.741 176.870 0.073 0.000 1.071 828 L CA 3.208 58.080 54.840 0.054 0.000 0.745 828 L CB -1.378 40.697 42.059 0.025 0.000 0.892 828 L HN 0.030 nan 8.230 nan 0.000 0.431 829 S N -0.934 114.817 115.700 0.084 0.000 2.481 829 S HA 0.008 4.476 4.470 -0.003 0.000 0.231 829 S C 1.929 176.578 174.600 0.081 0.000 0.996 829 S CA 0.571 58.810 58.200 0.065 0.000 0.942 829 S CB -0.701 62.529 63.200 0.050 0.000 0.768 829 S HN 0.477 nan 8.310 nan 0.000 0.520 830 A N 0.935 123.830 122.820 0.125 0.000 2.072 830 A HA 0.292 4.610 4.320 -0.003 0.000 0.216 830 A C 1.343 179.004 177.584 0.129 0.000 1.156 830 A CA 0.505 52.617 52.037 0.125 0.000 0.701 830 A CB -0.280 18.809 19.000 0.149 0.000 0.816 830 A HN 0.451 nan 8.150 nan 0.000 0.458 831 K N 0.306 120.790 120.400 0.140 0.000 2.233 831 K HA 0.279 4.598 4.320 -0.003 0.000 0.239 831 K C 0.113 176.750 176.600 0.062 0.000 1.064 831 K CA 0.207 56.555 56.287 0.101 0.000 0.884 831 K CB 0.274 32.801 32.500 0.045 0.000 1.166 831 K HN 0.274 nan 8.250 nan 0.000 0.512 832 E N 0.000 120.229 120.200 0.049 0.000 2.725 832 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 832 E CA 0.000 56.425 56.400 0.041 0.000 0.976 832 E CB 0.000 29.727 29.700 0.045 0.000 0.812 832 E HN 0.000 nan 8.360 nan 0.000 0.440