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 1um2_1_A DATA FIRST_RESID 284 DATA SEQUENCE SFAKGTNVLM ADGSIECIEN IEVGNKVMGK DGRPREVIKL PRGRETMYSV DATA SEQUENCE VQKSXXXXXX XXXXXXXPEL LKFTCNATNE LVVRTPRSVR RLSRTIKGVE DATA SEQUENCE YFEVITFEMG QKKAPDGRIV ELVKEVSKSY PISEGPERAN ELVESYRKAS DATA SEQUENCE NKAYFEWTIE ARDLSLLGSH VRKATYQTYA PILYENDHFF DYMQKSKFHL DATA SEQUENCE TIEGPKVLAY LLGLWIGDGL SDRATFSVDS RDTSLMERVT EYAEKLNLCA DATA SEQUENCE EYKDRKEPQV AKTVNLYSKX XXXXXXXXXX XXENPLWDAI VGLGFLKDGV DATA SEQUENCE KNIPSFLSTD NIGTRETFLA GLIDSDGYVT DEHGIKATIK TIHTSVRDGL DATA SEQUENCE VSLARSLGLV VSVNAEPXXX XXXXXXXXIS YAIYMSGGDV LLNVLSKCAG DATA SEQUENCE SKKFRPAPAA AFARECRGFY FELQELKEDD YYGITLSDDS DHQFLLANQV DATA SEQUENCE VVHN 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 284 S HA 0.000 nan 4.470 nan 0.000 0.327 284 S C 0.000 174.064 174.600 -0.893 0.000 1.055 284 S CA 0.000 57.701 58.200 -0.831 0.000 1.107 284 S CB 0.000 62.972 63.200 -0.379 0.000 0.593 285 F N 1.301 121.394 119.950 0.240 0.000 2.546 285 F HA 0.827 5.354 4.527 0.000 0.000 0.320 285 F C 0.716 176.741 175.800 0.375 0.000 1.076 285 F CA -1.070 57.089 58.000 0.264 0.000 0.928 285 F CB 0.858 39.995 39.000 0.227 0.000 1.189 285 F HN 0.753 nan 8.300 nan 0.000 0.465 286 A N 1.845 124.954 122.820 0.482 0.000 2.567 286 A HA 0.070 4.391 4.320 0.000 0.000 0.236 286 A C 0.456 178.327 177.584 0.478 0.000 1.088 286 A CA -0.324 51.974 52.037 0.433 0.000 0.776 286 A CB -0.003 19.174 19.000 0.296 0.000 1.033 286 A HN 0.842 nan 8.150 nan 0.000 0.513 287 K N 0.275 120.986 120.400 0.519 0.000 2.451 287 K HA 0.311 4.631 4.320 0.000 0.000 0.280 287 K C 1.072 177.733 176.600 0.101 0.000 1.020 287 K CA 0.983 57.424 56.287 0.256 0.000 1.008 287 K CB -0.203 32.474 32.500 0.296 0.000 0.917 287 K HN 1.784 nan 8.250 nan 0.000 0.478 288 G N 2.663 111.453 108.800 -0.017 0.000 2.157 288 G HA2 -0.224 3.736 3.960 0.000 0.000 0.248 288 G HA3 -0.224 3.736 3.960 0.000 0.000 0.248 288 G C 0.096 175.016 174.900 0.032 0.000 0.979 288 G CA 0.297 45.401 45.100 0.006 0.000 0.650 288 G HN 0.648 nan 8.290 nan 0.000 0.529 289 T N 2.904 117.496 114.554 0.063 0.000 2.825 289 T HA 0.254 4.604 4.350 0.000 0.000 0.270 289 T C 0.816 175.519 174.700 0.005 0.000 0.919 289 T CA -0.192 61.949 62.100 0.068 0.000 1.159 289 T CB -0.106 68.840 68.868 0.129 0.000 0.889 289 T HN 0.425 nan 8.240 nan 0.000 0.565 290 N N 3.148 121.847 118.700 -0.002 0.000 2.356 290 N HA 0.083 4.823 4.740 0.000 0.000 0.252 290 N C 0.102 175.591 175.510 -0.036 0.000 1.241 290 N CA 0.046 53.084 53.050 -0.020 0.000 0.861 290 N CB 0.745 39.223 38.487 -0.015 0.000 1.075 290 N HN 0.231 nan 8.380 nan 0.000 0.461 291 V N 1.125 121.021 119.914 -0.031 0.000 3.184 291 V HA 0.503 4.623 4.120 0.000 0.000 0.308 291 V C -0.288 175.800 176.094 -0.010 0.000 1.243 291 V CA -0.889 61.400 62.300 -0.018 0.000 1.058 291 V CB 1.825 33.634 31.823 -0.023 0.000 1.183 291 V HN 0.422 nan 8.190 nan 0.000 0.471 292 L N 1.782 123.013 121.223 0.013 0.000 2.372 292 L HA 0.595 4.935 4.340 0.000 0.000 0.274 292 L C -0.474 176.385 176.870 -0.018 0.000 0.988 292 L CA -0.163 54.679 54.840 0.003 0.000 0.833 292 L CB 1.596 43.664 42.059 0.014 0.000 1.236 292 L HN 0.490 nan 8.230 nan 0.000 0.410 293 M N 2.646 122.223 119.600 -0.039 0.000 2.247 293 M HA 0.361 4.841 4.480 0.000 0.000 0.326 293 M C 1.334 177.560 176.300 -0.123 0.000 1.134 293 M CA -0.185 55.071 55.300 -0.074 0.000 1.136 293 M CB 0.693 33.259 32.600 -0.057 0.000 1.454 293 M HN 0.683 nan 8.290 nan 0.000 0.467 294 A N 0.941 123.652 122.820 -0.181 0.000 2.216 294 A HA -0.120 4.200 4.320 0.000 0.000 0.214 294 A C 1.382 178.623 177.584 -0.572 0.000 1.160 294 A CA 1.508 53.335 52.037 -0.349 0.000 0.725 294 A CB -0.823 18.012 19.000 -0.276 0.000 0.784 294 A HN 0.875 nan 8.150 nan 0.000 0.472 295 D N -2.757 117.497 120.400 -0.244 0.000 2.338 295 D HA 0.231 4.872 4.640 0.000 0.000 0.208 295 D C 1.243 177.709 176.300 0.276 0.000 0.997 295 D CA 1.356 55.350 54.000 -0.009 0.000 0.880 295 D CB -0.094 40.737 40.800 0.051 0.000 0.980 295 D HN 0.634 nan 8.370 nan 0.000 0.509 296 G N 0.532 109.406 108.800 0.123 0.000 2.421 296 G HA2 -0.194 3.766 3.960 0.000 0.000 0.188 296 G HA3 -0.194 3.766 3.960 0.000 0.000 0.188 296 G C 0.345 175.305 174.900 0.100 0.000 1.001 296 G CA 0.236 45.456 45.100 0.199 0.000 0.693 296 G HN 0.650 nan 8.290 nan 0.000 0.479 297 S N 0.339 116.078 115.700 0.066 0.000 2.585 297 S HA 0.652 5.122 4.470 0.000 0.000 0.273 297 S C 0.291 174.898 174.600 0.011 0.000 1.339 297 S CA -0.273 57.949 58.200 0.038 0.000 1.028 297 S CB 1.447 64.665 63.200 0.029 0.000 0.906 297 S HN 0.513 nan 8.310 nan 0.000 0.528 298 I N 1.824 122.397 120.570 0.005 0.000 2.361 298 I HA 0.343 4.513 4.170 0.000 0.000 0.282 298 I C 0.308 176.415 176.117 -0.017 0.000 1.075 298 I CA -0.309 60.986 61.300 -0.008 0.000 1.205 298 I CB 0.616 38.611 38.000 -0.008 0.000 1.406 298 I HN 0.677 nan 8.210 nan 0.000 0.481 299 E N 3.204 123.388 120.200 -0.028 0.000 2.561 299 E HA 0.450 4.800 4.350 0.000 0.000 0.254 299 E C -0.779 175.795 176.600 -0.043 0.000 1.213 299 E CA -0.179 56.199 56.400 -0.036 0.000 0.995 299 E CB 1.224 30.897 29.700 -0.044 0.000 1.233 299 E HN 0.487 nan 8.360 nan 0.000 0.556 300 C N 0.516 119.783 119.300 -0.054 0.000 2.349 300 C HA 0.295 4.755 4.460 0.000 0.000 0.361 300 C C 1.901 176.845 174.990 -0.078 0.000 1.189 300 C CA -0.471 58.509 59.018 -0.065 0.000 2.155 300 C CB 0.441 28.132 27.740 -0.082 0.000 2.336 300 C HN 0.824 nan 8.230 nan 0.000 0.540 301 I N 1.845 122.374 120.570 -0.067 0.000 2.394 301 I HA -0.134 4.036 4.170 0.000 0.000 0.251 301 I C 2.408 178.465 176.117 -0.100 0.000 1.136 301 I CA 1.814 63.100 61.300 -0.024 0.000 1.425 301 I CB -0.376 37.701 38.000 0.128 0.000 1.079 301 I HN 0.840 nan 8.210 nan 0.000 0.425 302 E N -0.027 120.012 120.200 -0.269 0.000 2.051 302 E HA -0.199 4.152 4.350 0.000 0.000 0.189 302 E C 1.514 178.023 176.600 -0.152 0.000 0.979 302 E CA 1.622 57.804 56.400 -0.364 0.000 0.803 302 E CB -1.148 28.172 29.700 -0.633 0.000 0.761 302 E HN 0.637 nan 8.360 nan 0.000 0.451 303 N N 1.010 119.637 118.700 -0.123 0.000 2.520 303 N HA 0.057 4.797 4.740 0.000 0.000 0.185 303 N C 0.530 176.005 175.510 -0.058 0.000 1.068 303 N CA -0.006 53.000 53.050 -0.073 0.000 0.911 303 N CB -0.060 38.390 38.487 -0.062 0.000 0.961 303 N HN 0.181 nan 8.380 nan 0.000 0.446 304 I N 1.924 122.456 120.570 -0.065 0.000 2.648 304 I HA -0.015 4.155 4.170 0.000 0.000 0.284 304 I C 0.253 176.343 176.117 -0.045 0.000 1.153 304 I CA 0.411 61.673 61.300 -0.063 0.000 1.426 304 I CB 0.536 38.483 38.000 -0.089 0.000 1.381 304 I HN 0.073 nan 8.210 nan 0.000 0.571 305 E N 4.297 124.472 120.200 -0.042 0.000 2.232 305 E HA 0.439 4.789 4.350 0.000 0.000 0.264 305 E C -0.873 175.708 176.600 -0.032 0.000 0.973 305 E CA -0.953 55.430 56.400 -0.028 0.000 0.849 305 E CB 1.921 31.607 29.700 -0.023 0.000 1.198 305 E HN 0.259 nan 8.360 nan 0.000 0.407 306 V N 1.385 121.287 119.914 -0.021 0.000 2.843 306 V HA 0.246 4.366 4.120 0.000 0.000 0.305 306 V C 1.343 177.421 176.094 -0.025 0.000 1.065 306 V CA 1.480 63.767 62.300 -0.022 0.000 1.116 306 V CB 0.593 32.411 31.823 -0.010 0.000 0.968 306 V HN 1.042 nan 8.190 nan 0.000 0.487 307 G N 3.281 112.063 108.800 -0.030 0.000 2.157 307 G HA2 -0.250 3.711 3.960 0.000 0.000 0.248 307 G HA3 -0.250 3.711 3.960 0.000 0.000 0.248 307 G C 0.082 174.958 174.900 -0.039 0.000 0.979 307 G CA 0.286 45.368 45.100 -0.029 0.000 0.650 307 G HN 0.704 nan 8.290 nan 0.000 0.529 308 N N 0.152 118.822 118.700 -0.051 0.000 2.463 308 N HA 0.524 5.264 4.740 0.000 0.000 0.270 308 N C -0.243 175.219 175.510 -0.080 0.000 1.205 308 N CA -0.429 52.583 53.050 -0.063 0.000 0.974 308 N CB 0.465 38.908 38.487 -0.073 0.000 1.197 308 N HN -0.057 nan 8.380 nan 0.000 0.504 309 K N 1.421 121.769 120.400 -0.087 0.000 2.292 309 K HA 0.391 4.712 4.320 0.000 0.000 0.257 309 K C -0.845 175.681 176.600 -0.124 0.000 0.940 309 K CA -0.607 55.620 56.287 -0.101 0.000 0.811 309 K CB 1.713 34.157 32.500 -0.093 0.000 1.120 309 K HN 0.354 nan 8.250 nan 0.000 0.428 310 V N -0.825 119.005 119.914 -0.139 0.000 2.881 310 V HA 0.518 4.639 4.120 0.000 0.000 0.316 310 V C 0.103 176.144 176.094 -0.088 0.000 1.070 310 V CA -1.363 60.853 62.300 -0.140 0.000 0.976 310 V CB 1.699 33.366 31.823 -0.259 0.000 1.038 310 V HN 0.741 nan 8.190 nan 0.000 0.446 311 M N 3.841 123.409 119.600 -0.053 0.000 2.350 311 M HA 0.516 4.996 4.480 0.000 0.000 0.338 311 M C 0.517 176.821 176.300 0.005 0.000 1.559 311 M CA 0.262 55.526 55.300 -0.060 0.000 1.217 311 M CB -0.487 32.080 32.600 -0.054 0.000 1.808 311 M HN 1.100 nan 8.290 nan 0.000 0.458 312 G N 4.648 113.435 108.800 -0.023 0.000 2.442 312 G HA2 0.195 4.155 3.960 0.000 0.000 0.249 312 G HA3 0.195 4.155 3.960 0.000 0.000 0.249 312 G C 0.222 175.119 174.900 -0.005 0.000 1.263 312 G CA -0.759 44.341 45.100 -0.001 0.000 0.846 312 G HN 0.947 nan 8.290 nan 0.000 0.555 313 K N 0.587 120.984 120.400 -0.005 0.000 2.720 313 K HA -0.041 4.279 4.320 0.000 0.000 0.206 313 K C 0.139 176.738 176.600 -0.002 0.000 1.000 313 K CA 1.092 57.374 56.287 -0.007 0.000 1.067 313 K CB 0.132 32.622 32.500 -0.016 0.000 0.861 313 K HN 0.534 nan 8.250 nan 0.000 0.492 314 D N -1.801 118.599 120.400 -0.001 0.000 2.538 314 D HA 0.077 4.717 4.640 0.000 0.000 0.241 314 D C 0.998 177.308 176.300 0.016 0.000 1.297 314 D CA 0.413 54.416 54.000 0.004 0.000 0.804 314 D CB 0.461 41.260 40.800 -0.002 0.000 1.122 314 D HN 0.288 nan 8.370 nan 0.000 0.519 315 G N 1.184 109.997 108.800 0.020 0.000 2.611 315 G HA2 -0.267 3.694 3.960 0.000 0.000 0.208 315 G HA3 -0.267 3.694 3.960 0.000 0.000 0.208 315 G C 0.421 175.313 174.900 -0.013 0.000 1.201 315 G CA -0.136 44.999 45.100 0.058 0.000 0.739 315 G HN 0.430 nan 8.290 nan 0.000 0.528 316 R N 2.486 122.975 120.500 -0.019 0.000 2.774 316 R HA 0.469 4.809 4.340 0.000 0.000 0.269 316 R C -1.928 174.316 176.300 -0.093 0.000 1.068 316 R CA -0.483 55.588 56.100 -0.049 0.000 1.180 316 R CB 0.266 30.551 30.300 -0.026 0.000 1.077 316 R HN 0.350 nan 8.270 nan 0.000 0.513 317 P HA 0.256 nan 4.420 nan 0.000 0.280 317 P C -1.092 176.163 177.300 -0.075 0.000 1.272 317 P CA -0.439 62.596 63.100 -0.107 0.000 0.819 317 P CB 1.041 32.672 31.700 -0.115 0.000 1.122 318 R N 0.634 121.089 120.500 -0.076 0.000 2.575 318 R HA 0.372 4.712 4.340 0.000 0.000 0.293 318 R C -0.097 176.155 176.300 -0.080 0.000 0.983 318 R CA -0.672 55.388 56.100 -0.067 0.000 0.887 318 R CB 1.331 31.606 30.300 -0.041 0.000 1.184 318 R HN 0.526 nan 8.270 nan 0.000 0.445 319 E N 2.152 122.311 120.200 -0.067 0.000 2.223 319 E HA 0.175 4.525 4.350 0.000 0.000 0.282 319 E C -0.223 176.340 176.600 -0.062 0.000 1.046 319 E CA -0.417 55.946 56.400 -0.062 0.000 0.857 319 E CB 1.797 31.470 29.700 -0.044 0.000 1.055 319 E HN 0.147 nan 8.360 nan 0.000 0.409 320 V N 5.675 125.544 119.914 -0.075 0.000 2.583 320 V HA 0.101 4.222 4.120 0.000 0.000 0.287 320 V C 1.248 177.321 176.094 -0.035 0.000 1.051 320 V CA 0.325 62.583 62.300 -0.070 0.000 1.010 320 V CB 0.927 32.694 31.823 -0.094 0.000 0.988 320 V HN 0.671 nan 8.190 nan 0.000 0.478 321 I N 0.643 121.204 120.570 -0.015 0.000 4.193 321 I HA 0.412 4.582 4.170 0.000 0.000 0.287 321 I C 0.809 176.932 176.117 0.009 0.000 1.175 321 I CA -0.092 61.208 61.300 -0.001 0.000 1.320 321 I CB 0.454 38.459 38.000 0.009 0.000 1.523 321 I HN 0.386 nan 8.210 nan 0.000 0.450 322 K N 1.430 121.843 120.400 0.020 0.000 2.416 322 K HA 0.735 5.055 4.320 0.000 0.000 0.244 322 K C -0.734 175.889 176.600 0.039 0.000 1.044 322 K CA -0.683 55.623 56.287 0.032 0.000 0.972 322 K CB 2.147 34.674 32.500 0.045 0.000 1.286 322 K HN 0.118 nan 8.250 nan 0.000 0.500 323 L N 1.889 123.145 121.223 0.055 0.000 2.481 323 L HA 0.225 4.565 4.340 0.000 0.000 0.263 323 L C -2.522 174.406 176.870 0.097 0.000 1.537 323 L CA -1.506 53.381 54.840 0.079 0.000 0.741 323 L CB 1.452 43.551 42.059 0.067 0.000 0.974 323 L HN 0.265 nan 8.230 nan 0.000 0.519 324 P HA -0.016 nan 4.420 nan 0.000 0.253 324 P C -0.397 176.973 177.300 0.116 0.000 1.159 324 P CA 0.627 63.804 63.100 0.128 0.000 0.779 324 P CB 0.291 32.089 31.700 0.163 0.000 0.745 325 R N 2.207 122.688 120.500 -0.032 0.000 2.902 325 R HA 0.885 5.225 4.340 0.000 0.000 0.258 325 R C 0.592 176.543 176.300 -0.582 0.000 1.071 325 R CA -0.555 55.370 56.100 -0.293 0.000 1.024 325 R CB 1.945 32.130 30.300 -0.192 0.000 1.184 325 R HN 0.644 nan 8.270 nan 0.000 0.492 326 G N 0.172 108.388 108.800 -0.973 0.000 2.332 326 G HA2 0.133 4.094 3.960 0.000 0.000 0.265 326 G HA3 0.133 4.094 3.960 0.000 0.000 0.265 326 G C -1.487 172.773 174.900 -1.067 0.000 1.329 326 G CA -0.882 43.690 45.100 -0.880 0.000 0.949 326 G HN 0.421 nan 8.290 nan 0.000 0.476 327 R N -0.576 119.676 120.500 -0.413 0.000 2.734 327 R HA 0.797 5.137 4.340 0.000 0.000 0.271 327 R C -0.600 175.856 176.300 0.261 0.000 1.021 327 R CA -0.578 55.509 56.100 -0.021 0.000 0.893 327 R CB 2.557 32.810 30.300 -0.078 0.000 1.244 327 R HN 0.908 nan 8.270 nan 0.000 0.464 328 E N -0.659 119.653 120.200 0.188 0.000 1.975 328 E HA 0.074 4.424 4.350 0.000 0.000 0.240 328 E C -1.419 175.188 176.600 0.012 0.000 1.652 328 E CA -0.476 55.978 56.400 0.090 0.000 0.996 328 E CB 1.219 30.971 29.700 0.086 0.000 1.487 328 E HN 0.430 nan 8.360 nan 0.000 0.533 329 T N 1.481 116.005 114.554 -0.051 0.000 2.918 329 T HA 0.395 4.745 4.350 0.000 0.000 0.302 329 T C -0.341 174.257 174.700 -0.170 0.000 1.045 329 T CA -0.001 62.010 62.100 -0.148 0.000 1.114 329 T CB 0.324 69.047 68.868 -0.242 0.000 0.965 329 T HN 0.195 nan 8.240 nan 0.000 0.540 330 M N 2.808 122.288 119.600 -0.200 0.000 2.383 330 M HA 0.405 4.885 4.480 0.000 0.000 0.325 330 M C -1.223 174.958 176.300 -0.199 0.000 1.092 330 M CA -0.739 54.496 55.300 -0.109 0.000 0.961 330 M CB 1.664 34.262 32.600 -0.002 0.000 1.672 330 M HN 0.598 nan 8.290 nan 0.000 0.438 331 Y N 0.430 120.735 120.300 0.008 0.000 2.377 331 Y HA 0.380 4.931 4.550 0.000 0.000 0.339 331 Y C 0.694 176.589 175.900 -0.009 0.000 1.011 331 Y CA -0.627 57.472 58.100 -0.001 0.000 1.093 331 Y CB 1.740 40.192 38.460 -0.014 0.000 1.201 331 Y HN 0.656 nan 8.280 nan 0.000 0.455 332 S N 2.587 118.373 115.700 0.143 0.000 2.404 332 S HA 0.512 4.983 4.470 0.000 0.000 0.309 332 S C -0.700 173.874 174.600 -0.043 0.000 1.076 332 S CA -0.754 57.473 58.200 0.045 0.000 1.095 332 S CB -0.037 63.195 63.200 0.053 0.000 0.972 332 S HN 0.387 nan 8.310 nan 0.000 0.484 333 V N 4.323 124.064 119.914 -0.288 0.000 2.530 333 V HA 0.530 4.651 4.120 0.000 0.000 0.282 333 V C 0.188 176.151 176.094 -0.219 0.000 1.048 333 V CA -0.418 61.625 62.300 -0.429 0.000 0.997 333 V CB 1.132 32.188 31.823 -1.278 0.000 0.987 333 V HN 0.825 nan 8.190 nan 0.000 0.477 334 V N 5.744 125.667 119.914 0.015 0.000 2.655 334 V HA 0.391 4.512 4.120 0.000 0.000 0.301 334 V C -0.175 176.067 176.094 0.247 0.000 1.082 334 V CA -0.651 61.714 62.300 0.107 0.000 0.899 334 V CB 1.752 33.624 31.823 0.081 0.000 1.014 334 V HN 1.037 nan 8.190 nan 0.000 0.429 335 Q N 5.104 125.097 119.800 0.321 0.000 2.308 335 Q HA -0.021 4.319 4.340 0.000 0.000 0.313 335 Q C -0.069 176.101 176.000 0.284 0.000 1.075 335 Q CA 0.743 56.805 55.803 0.432 0.000 0.995 335 Q CB 0.425 29.350 28.738 0.312 0.000 1.107 335 Q HN 0.730 nan 8.270 nan 0.000 0.380 336 K N 3.004 123.582 120.400 0.297 0.000 2.276 336 K HA 0.211 4.531 4.320 0.000 0.000 0.285 336 K C -1.064 175.628 176.600 0.153 0.000 1.062 336 K CA 0.011 56.406 56.287 0.180 0.000 0.918 336 K CB 0.566 33.145 32.500 0.131 0.000 1.055 336 K HN 0.780 nan 8.250 nan 0.000 0.477 352 E N 1.352 121.571 120.200 0.031 0.000 2.528 352 E HA 0.097 4.447 4.350 0.000 0.000 0.237 352 E C 0.297 176.871 176.600 -0.043 0.000 1.408 352 E CA 0.266 56.662 56.400 -0.007 0.000 1.571 352 E CB -0.139 29.554 29.700 -0.012 0.000 1.395 352 E HN 0.538 nan 8.360 nan 0.000 0.438 353 L N 0.512 121.722 121.223 -0.021 0.000 2.439 353 L HA 0.146 4.486 4.340 0.000 0.000 0.269 353 L C 0.724 177.547 176.870 -0.078 0.000 1.179 353 L CA -0.330 54.490 54.840 -0.033 0.000 0.828 353 L CB 0.296 42.372 42.059 0.028 0.000 1.106 353 L HN -0.002 nan 8.230 nan 0.000 0.467 354 L N 4.155 125.278 121.223 -0.166 0.000 2.313 354 L HA 0.368 4.708 4.340 0.000 0.000 0.282 354 L C 0.123 176.991 176.870 -0.004 0.000 1.092 354 L CA -0.148 54.557 54.840 -0.225 0.000 0.831 354 L CB 0.290 41.936 42.059 -0.689 0.000 1.159 354 L HN 0.684 nan 8.230 nan 0.000 0.442 355 K N 3.552 123.990 120.400 0.064 0.000 2.509 355 K HA 0.835 5.156 4.320 0.000 0.000 0.266 355 K C -1.246 175.489 176.600 0.226 0.000 0.987 355 K CA -0.809 55.541 56.287 0.106 0.000 0.868 355 K CB 2.731 35.270 32.500 0.064 0.000 1.421 355 K HN 0.384 nan 8.250 nan 0.000 0.444 356 F N -2.053 117.941 119.950 0.072 0.000 2.680 356 F HA 0.337 4.864 4.527 0.000 0.000 0.315 356 F C -1.831 174.044 175.800 0.124 0.000 1.099 356 F CA -0.739 57.306 58.000 0.076 0.000 1.033 356 F CB 1.214 40.237 39.000 0.040 0.000 1.285 356 F HN 0.488 nan 8.300 nan 0.000 0.457 357 T N 2.166 116.937 114.554 0.362 0.000 2.767 357 T HA 0.672 5.023 4.350 0.000 0.000 0.284 357 T C 0.015 174.971 174.700 0.426 0.000 0.973 357 T CA -0.430 61.840 62.100 0.283 0.000 0.996 357 T CB 0.917 69.907 68.868 0.204 0.000 0.927 357 T HN 1.190 nan 8.240 nan 0.000 0.456 358 C N 1.676 121.180 119.300 0.340 0.000 3.235 358 C HA 0.803 5.264 4.460 0.000 0.000 0.351 358 C C -0.465 174.576 174.990 0.086 0.000 1.520 358 C CA -1.397 57.777 59.018 0.262 0.000 1.474 358 C CB 0.990 28.939 27.740 0.349 0.000 2.019 358 C HN 0.880 nan 8.230 nan 0.000 0.446 359 N N 0.915 119.552 118.700 -0.105 0.000 2.514 359 N HA 0.358 5.098 4.740 0.000 0.000 0.277 359 N C 0.781 176.271 175.510 -0.034 0.000 1.126 359 N CA 0.095 53.017 53.050 -0.214 0.000 0.978 359 N CB 1.185 39.291 38.487 -0.635 0.000 1.106 359 N HN 1.119 nan 8.380 nan 0.000 0.461 360 A N 1.482 124.352 122.820 0.083 0.000 2.194 360 A HA -0.179 4.141 4.320 0.000 0.000 0.220 360 A C 1.722 179.354 177.584 0.081 0.000 1.162 360 A CA 1.861 54.085 52.037 0.311 0.000 0.674 360 A CB -0.733 18.462 19.000 0.326 0.000 0.789 360 A HN 0.840 nan 8.150 nan 0.000 0.470 361 T N -1.585 112.940 114.554 -0.049 0.000 3.105 361 T HA 0.100 4.451 4.350 0.000 0.000 0.253 361 T C 0.428 175.055 174.700 -0.122 0.000 1.047 361 T CA -0.324 61.726 62.100 -0.084 0.000 0.944 361 T CB -0.868 67.942 68.868 -0.098 0.000 1.016 361 T HN 0.539 nan 8.240 nan 0.000 0.544 362 N N 2.088 120.714 118.700 -0.124 0.000 2.483 362 N HA 0.006 4.746 4.740 0.000 0.000 0.264 362 N C -0.579 174.862 175.510 -0.115 0.000 1.197 362 N CA 0.037 53.011 53.050 -0.127 0.000 0.927 362 N CB 0.482 38.918 38.487 -0.085 0.000 1.065 362 N HN 0.476 nan 8.380 nan 0.000 0.461 363 E N 4.111 124.219 120.200 -0.154 0.000 2.052 363 E HA 0.103 4.453 4.350 0.000 0.000 0.283 363 E C -0.329 176.188 176.600 -0.138 0.000 1.071 363 E CA -0.233 56.031 56.400 -0.226 0.000 0.851 363 E CB 0.931 30.346 29.700 -0.474 0.000 1.066 363 E HN 0.443 nan 8.360 nan 0.000 0.396 364 L N 2.919 124.063 121.223 -0.132 0.000 2.416 364 L HA 0.108 4.448 4.340 0.000 0.000 0.272 364 L C 0.141 176.906 176.870 -0.176 0.000 1.161 364 L CA -0.481 54.303 54.840 -0.092 0.000 0.845 364 L CB 0.538 42.517 42.059 -0.133 0.000 1.119 364 L HN 0.227 nan 8.230 nan 0.000 0.464 365 V N 4.335 124.176 119.914 -0.121 0.000 2.498 365 V HA 0.484 4.604 4.120 0.000 0.000 0.279 365 V C 0.254 176.222 176.094 -0.210 0.000 1.048 365 V CA -0.308 61.914 62.300 -0.129 0.000 0.967 365 V CB 1.438 33.235 31.823 -0.042 0.000 0.988 365 V HN 0.614 nan 8.190 nan 0.000 0.473 366 V N 3.015 122.749 119.914 -0.299 0.000 3.202 366 V HA 0.781 4.902 4.120 0.000 0.000 0.306 366 V C -0.933 175.007 176.094 -0.257 0.000 1.283 366 V CA -1.190 60.900 62.300 -0.349 0.000 1.065 366 V CB 2.606 34.152 31.823 -0.461 0.000 1.079 366 V HN 0.784 nan 8.190 nan 0.000 0.448 367 R N -0.320 119.962 120.500 -0.364 0.000 2.771 367 R HA 0.851 5.191 4.340 0.000 0.000 0.274 367 R C -1.474 174.803 176.300 -0.038 0.000 0.987 367 R CA -0.651 55.364 56.100 -0.142 0.000 0.908 367 R CB 2.526 32.553 30.300 -0.454 0.000 1.213 367 R HN 0.919 nan 8.270 nan 0.000 0.468 368 T N 2.767 117.575 114.554 0.423 0.000 3.109 368 T HA 0.296 4.646 4.350 0.000 0.000 0.311 368 T C -2.766 172.276 174.700 0.570 0.000 1.011 368 T CA -1.262 61.159 62.100 0.535 0.000 1.026 368 T CB 2.097 71.338 68.868 0.622 0.000 1.047 368 T HN 0.359 nan 8.240 nan 0.000 0.448 369 P HA 0.104 nan 4.420 nan 0.000 0.265 369 P C -0.003 177.437 177.300 0.232 0.000 1.187 369 P CA -0.169 63.118 63.100 0.313 0.000 0.766 369 P CB 0.906 32.738 31.700 0.220 0.000 0.820 370 R N 1.102 121.621 120.500 0.031 0.000 2.738 370 R HA 0.552 4.893 4.340 0.000 0.000 0.275 370 R C 0.366 176.705 176.300 0.066 0.000 1.121 370 R CA -0.076 56.054 56.100 0.051 0.000 1.207 370 R CB 0.315 30.512 30.300 -0.170 0.000 1.141 370 R HN 0.534 nan 8.270 nan 0.000 0.571 371 S N -0.308 115.491 115.700 0.165 0.000 2.604 371 S HA 0.365 4.836 4.470 0.000 0.000 0.296 371 S C -2.022 172.446 174.600 -0.220 0.000 1.097 371 S CA -0.800 57.323 58.200 -0.129 0.000 0.883 371 S CB 1.461 64.303 63.200 -0.597 0.000 1.081 371 S HN 0.354 nan 8.310 nan 0.000 0.448 372 V N 5.966 125.769 119.914 -0.184 0.000 2.789 372 V HA 0.842 4.962 4.120 0.000 0.000 0.300 372 V C -1.579 174.440 176.094 -0.125 0.000 1.184 372 V CA -0.443 61.700 62.300 -0.262 0.000 0.930 372 V CB 1.709 33.326 31.823 -0.343 0.000 1.041 372 V HN 1.122 nan 8.190 nan 0.000 0.430 373 R N 4.913 125.347 120.500 -0.110 0.000 2.673 373 R HA 0.689 5.029 4.340 0.000 0.000 0.281 373 R C -0.986 175.280 176.300 -0.057 0.000 0.991 373 R CA -1.003 55.058 56.100 -0.065 0.000 0.896 373 R CB 2.141 32.411 30.300 -0.051 0.000 1.201 373 R HN 0.631 nan 8.270 nan 0.000 0.457 374 R N 3.881 124.355 120.500 -0.043 0.000 2.332 374 R HA 0.191 4.532 4.340 0.000 0.000 0.306 374 R C -0.357 175.948 176.300 0.008 0.000 1.117 374 R CA -0.494 55.583 56.100 -0.039 0.000 1.108 374 R CB 0.464 30.718 30.300 -0.076 0.000 1.126 374 R HN 0.697 nan 8.270 nan 0.000 0.548 375 L N 0.192 121.438 121.223 0.039 0.000 2.985 375 L HA 0.666 5.006 4.340 0.000 0.000 0.201 375 L C -0.274 176.707 176.870 0.185 0.000 1.291 375 L CA -0.367 54.522 54.840 0.081 0.000 1.141 375 L CB 0.554 42.642 42.059 0.049 0.000 2.131 375 L HN 0.168 nan 8.230 nan 0.000 0.538 376 S N -0.584 115.206 115.700 0.150 0.000 2.446 376 S HA 0.445 4.915 4.470 0.000 0.000 0.230 376 S C -0.838 173.786 174.600 0.041 0.000 1.051 376 S CA -0.747 57.537 58.200 0.141 0.000 1.113 376 S CB 0.656 63.970 63.200 0.191 0.000 1.184 376 S HN 0.707 nan 8.310 nan 0.000 0.435 377 R N 1.300 121.826 120.500 0.043 0.000 2.758 377 R HA 0.703 5.043 4.340 0.000 0.000 0.265 377 R C -1.127 175.211 176.300 0.064 0.000 1.016 377 R CA -0.364 55.760 56.100 0.039 0.000 1.040 377 R CB 1.075 31.397 30.300 0.036 0.000 1.152 377 R HN 0.452 nan 8.270 nan 0.000 0.503 378 T N 3.812 118.403 114.554 0.062 0.000 2.815 378 T HA 0.359 4.709 4.350 0.000 0.000 0.289 378 T C -0.055 174.716 174.700 0.118 0.000 1.000 378 T CA -0.579 61.576 62.100 0.092 0.000 0.958 378 T CB 0.887 69.770 68.868 0.024 0.000 0.944 378 T HN 0.365 nan 8.240 nan 0.000 0.442 379 I N 4.393 125.103 120.570 0.233 0.000 2.204 379 I HA 0.148 4.318 4.170 0.000 0.000 0.291 379 I C 0.216 176.399 176.117 0.110 0.000 1.153 379 I CA -0.470 60.905 61.300 0.125 0.000 1.546 379 I CB -1.398 36.613 38.000 0.019 0.000 1.490 379 I HN 0.819 nan 8.210 nan 0.000 0.697 380 K N 3.155 123.591 120.400 0.060 0.000 5.728 380 K HA -0.196 4.124 4.320 0.000 0.000 0.427 380 K C 0.973 177.601 176.600 0.046 0.000 1.056 380 K CA 0.480 56.790 56.287 0.039 0.000 1.274 380 K CB -1.883 30.634 32.500 0.028 0.000 1.831 380 K HN 0.861 nan 8.250 nan 0.000 0.384 381 G N -0.607 108.211 108.800 0.029 0.000 2.363 381 G HA2 -0.320 3.640 3.960 0.000 0.000 0.238 381 G HA3 -0.320 3.640 3.960 0.000 0.000 0.238 381 G C 0.123 175.022 174.900 -0.000 0.000 1.062 381 G CA -0.065 45.043 45.100 0.013 0.000 0.629 381 G HN 0.699 nan 8.290 nan 0.000 0.514 382 V N 1.898 121.834 119.914 0.035 0.000 2.378 382 V HA 0.488 4.609 4.120 0.000 0.000 0.288 382 V C -0.088 175.960 176.094 -0.078 0.000 1.016 382 V CA -0.774 61.489 62.300 -0.061 0.000 0.840 382 V CB 1.555 33.336 31.823 -0.070 0.000 0.994 382 V HN 0.404 nan 8.190 nan 0.000 0.431 383 E N 4.549 124.626 120.200 -0.206 0.000 2.152 383 E HA 0.398 4.748 4.350 0.000 0.000 0.285 383 E C -1.406 174.981 176.600 -0.355 0.000 1.043 383 E CA -0.206 56.086 56.400 -0.181 0.000 0.839 383 E CB 0.797 30.372 29.700 -0.207 0.000 1.069 383 E HN 0.595 nan 8.360 nan 0.000 0.399 384 Y N 1.155 121.365 120.300 -0.150 0.000 2.457 384 Y HA 0.305 4.855 4.550 0.000 0.000 0.333 384 Y C -0.105 175.714 175.900 -0.136 0.000 1.119 384 Y CA -1.156 56.873 58.100 -0.118 0.000 1.143 384 Y CB 0.790 39.227 38.460 -0.038 0.000 1.230 384 Y HN 0.449 nan 8.280 nan 0.000 0.469 385 F N 1.546 121.553 119.950 0.096 0.000 2.425 385 F HA 0.210 4.737 4.527 0.000 0.000 0.354 385 F C 0.554 176.270 175.800 -0.138 0.000 1.162 385 F CA -1.203 56.794 58.000 -0.005 0.000 1.250 385 F CB -0.004 39.009 39.000 0.022 0.000 1.579 385 F HN 0.455 nan 8.300 nan 0.000 0.589 386 E N 1.750 122.005 120.200 0.092 0.000 2.360 386 E HA 0.345 4.695 4.350 0.000 0.000 0.269 386 E C -1.136 175.421 176.600 -0.072 0.000 1.022 386 E CA -0.150 56.221 56.400 -0.049 0.000 0.887 386 E CB 0.909 30.598 29.700 -0.017 0.000 0.990 386 E HN 0.231 nan 8.360 nan 0.000 0.426 387 V N 7.069 126.896 119.914 -0.144 0.000 2.349 387 V HA 0.290 4.410 4.120 0.000 0.000 0.284 387 V C -0.125 175.911 176.094 -0.095 0.000 1.014 387 V CA -0.569 61.660 62.300 -0.118 0.000 0.826 387 V CB 0.825 32.565 31.823 -0.139 0.000 1.009 387 V HN 0.608 nan 8.190 nan 0.000 0.431 388 I N 5.020 125.547 120.570 -0.072 0.000 2.353 388 I HA 0.668 4.838 4.170 0.000 0.000 0.293 388 I C 0.480 176.546 176.117 -0.084 0.000 0.992 388 I CA -0.011 61.264 61.300 -0.042 0.000 1.268 388 I CB 1.852 39.855 38.000 0.006 0.000 1.387 388 I HN 0.706 nan 8.210 nan 0.000 0.478 389 T N 1.630 116.155 114.554 -0.049 0.000 2.864 389 T HA 0.562 4.912 4.350 0.000 0.000 0.299 389 T C -0.857 173.985 174.700 0.236 0.000 1.166 389 T CA -0.697 61.331 62.100 -0.120 0.000 1.007 389 T CB 1.824 70.476 68.868 -0.359 0.000 1.219 389 T HN 0.087 nan 8.240 nan 0.000 0.506 390 F N 2.090 122.034 119.950 -0.010 0.000 2.404 390 F HA 0.601 5.129 4.527 0.001 0.000 0.354 390 F C 0.624 176.574 175.800 0.251 0.000 1.122 390 F CA -1.111 56.973 58.000 0.140 0.000 1.080 390 F CB 1.217 40.390 39.000 0.289 0.000 1.131 390 F HN 0.840 nan 8.300 nan 0.000 0.471 391 E N 2.533 122.795 120.200 0.104 0.000 2.433 391 E HA 0.433 4.783 4.350 0.000 0.000 0.278 391 E C -1.280 175.095 176.600 -0.374 0.000 0.976 391 E CA -1.226 55.146 56.400 -0.046 0.000 0.793 391 E CB 1.700 31.461 29.700 0.102 0.000 1.311 391 E HN 0.146 nan 8.360 nan 0.000 0.460 392 M N 1.668 120.996 119.600 -0.453 0.000 2.268 392 M HA 0.388 4.868 4.480 0.000 0.000 0.349 392 M C 0.176 176.330 176.300 -0.244 0.000 1.485 392 M CA 0.487 55.521 55.300 -0.444 0.000 1.094 392 M CB 0.031 32.410 32.600 -0.369 0.000 1.843 392 M HN 0.815 nan 8.290 nan 0.000 0.460 393 G N 3.530 112.188 108.800 -0.236 0.000 2.682 393 G HA2 0.664 4.624 3.960 0.000 0.000 0.290 393 G HA3 0.664 4.624 3.960 0.000 0.000 0.290 393 G C -1.526 173.302 174.900 -0.120 0.000 1.425 393 G CA -0.613 44.400 45.100 -0.145 0.000 0.807 393 G HN 0.581 nan 8.290 nan 0.000 0.482 394 Q N -0.717 119.035 119.800 -0.079 0.000 2.306 394 Q HA 0.722 5.062 4.340 0.000 0.000 0.269 394 Q C -0.700 175.271 176.000 -0.049 0.000 1.053 394 Q CA -0.887 54.883 55.803 -0.056 0.000 0.879 394 Q CB 2.701 31.415 28.738 -0.039 0.000 1.344 394 Q HN 0.546 nan 8.270 nan 0.000 0.464 395 K N 0.673 121.052 120.400 -0.035 0.000 2.570 395 K HA 0.218 4.538 4.320 0.000 0.000 0.256 395 K C -1.858 174.730 176.600 -0.020 0.000 0.939 395 K CA -0.707 55.562 56.287 -0.030 0.000 0.833 395 K CB 1.510 33.990 32.500 -0.033 0.000 1.318 395 K HN 0.507 nan 8.250 nan 0.000 0.433 396 K N 3.180 123.569 120.400 -0.019 0.000 2.174 396 K HA 0.596 4.916 4.320 0.000 0.000 0.275 396 K C -0.627 175.965 176.600 -0.012 0.000 1.015 396 K CA -0.379 55.900 56.287 -0.014 0.000 0.933 396 K CB 1.515 34.007 32.500 -0.013 0.000 1.025 396 K HN 0.605 nan 8.250 nan 0.000 0.463 397 A N 3.892 126.707 122.820 -0.009 0.000 2.378 397 A HA 0.461 4.781 4.320 0.000 0.000 0.293 397 A C -1.982 175.599 177.584 -0.005 0.000 1.250 397 A CA -1.432 50.601 52.037 -0.007 0.000 0.915 397 A CB 0.061 19.057 19.000 -0.006 0.000 1.402 397 A HN 0.761 nan 8.150 nan 0.000 0.502 398 P HA 0.034 nan 4.420 nan 0.000 0.251 398 P C 0.580 177.881 177.300 0.001 0.000 1.223 398 P CA 0.751 63.851 63.100 -0.001 0.000 0.796 398 P CB 0.139 31.840 31.700 0.002 0.000 1.068 399 D N -0.247 120.153 120.400 0.001 0.000 2.117 399 D HA -0.099 4.541 4.640 0.000 0.000 0.198 399 D C 1.394 177.693 176.300 -0.001 0.000 0.982 399 D CA 2.217 56.218 54.000 0.002 0.000 0.828 399 D CB -0.245 40.556 40.800 0.002 0.000 0.967 399 D HN 0.215 nan 8.370 nan 0.000 0.464 400 G N 0.211 109.010 108.800 -0.003 0.000 4.278 400 G HA2 -0.110 3.851 3.960 0.000 0.000 0.160 400 G HA3 -0.110 3.851 3.960 0.000 0.000 0.160 400 G C -0.132 174.765 174.900 -0.006 0.000 2.002 400 G CA -0.087 45.011 45.100 -0.004 0.000 1.013 400 G HN 0.360 nan 8.290 nan 0.000 0.315 401 R N 0.754 121.251 120.500 -0.006 0.000 2.715 401 R HA 0.177 4.518 4.340 0.000 0.000 0.266 401 R C -0.157 176.138 176.300 -0.008 0.000 0.981 401 R CA 0.592 56.688 56.100 -0.007 0.000 1.105 401 R CB 0.289 30.584 30.300 -0.009 0.000 0.953 401 R HN 0.213 nan 8.270 nan 0.000 0.432 402 I N 2.526 123.090 120.570 -0.009 0.000 2.307 402 I HA 0.132 4.303 4.170 0.000 0.000 0.287 402 I C 0.117 176.229 176.117 -0.008 0.000 1.054 402 I CA -0.486 60.808 61.300 -0.010 0.000 1.218 402 I CB 0.920 38.913 38.000 -0.011 0.000 1.398 402 I HN 0.307 nan 8.210 nan 0.000 0.475 403 V N 6.375 126.286 119.914 -0.006 0.000 2.649 403 V HA 0.116 4.236 4.120 0.000 0.000 0.292 403 V C 0.681 176.780 176.094 0.008 0.000 1.055 403 V CA -0.484 61.818 62.300 0.004 0.000 1.023 403 V CB 1.649 33.478 31.823 0.010 0.000 0.992 403 V HN 0.734 nan 8.190 nan 0.000 0.480 404 E N 5.111 125.326 120.200 0.025 0.000 2.081 404 E HA 0.544 4.894 4.350 0.000 0.000 0.276 404 E C -1.129 175.519 176.600 0.081 0.000 0.950 404 E CA -0.596 55.815 56.400 0.019 0.000 0.776 404 E CB 0.765 30.477 29.700 0.019 0.000 1.094 404 E HN 0.519 nan 8.360 nan 0.000 0.402 405 L N 1.882 123.104 121.223 -0.002 0.000 2.485 405 L HA 0.614 4.955 4.340 0.000 0.000 0.245 405 L C -1.033 175.564 176.870 -0.454 0.000 1.137 405 L CA -1.182 53.647 54.840 -0.018 0.000 0.954 405 L CB 0.140 42.334 42.059 0.224 0.000 1.560 405 L HN 0.150 nan 8.230 nan 0.000 0.403 406 V N 0.138 119.591 119.914 -0.769 0.000 2.617 406 V HA 0.708 4.828 4.120 0.000 0.000 0.298 406 V C -0.200 175.631 176.094 -0.439 0.000 1.048 406 V CA -0.381 61.461 62.300 -0.763 0.000 0.964 406 V CB 1.372 32.593 31.823 -1.004 0.000 1.004 406 V HN 0.797 nan 8.190 nan 0.000 0.466 407 K N 2.174 122.328 120.400 -0.409 0.000 2.508 407 K HA 0.457 4.777 4.320 0.000 0.000 0.260 407 K C -1.011 175.387 176.600 -0.336 0.000 0.949 407 K CA -0.769 55.325 56.287 -0.322 0.000 0.834 407 K CB 2.434 34.813 32.500 -0.201 0.000 1.365 407 K HN 0.679 nan 8.250 nan 0.000 0.437 408 E N 2.110 122.131 120.200 -0.298 0.000 2.105 408 E HA 0.214 4.565 4.350 0.000 0.000 0.285 408 E C -1.048 175.527 176.600 -0.043 0.000 1.055 408 E CA -0.504 55.819 56.400 -0.128 0.000 0.843 408 E CB 0.784 30.469 29.700 -0.026 0.000 1.067 408 E HN 0.236 nan 8.360 nan 0.000 0.398 409 V N 3.345 123.259 119.914 -0.001 0.000 2.612 409 V HA 0.385 4.505 4.120 0.000 0.000 0.301 409 V C -0.099 175.988 176.094 -0.011 0.000 1.046 409 V CA -0.562 61.728 62.300 -0.016 0.000 0.946 409 V CB 1.836 33.650 31.823 -0.015 0.000 1.003 409 V HN 0.635 nan 8.190 nan 0.000 0.459 410 S N 3.491 119.175 115.700 -0.027 0.000 2.557 410 S HA 0.650 5.120 4.470 0.000 0.000 0.291 410 S C -0.997 173.571 174.600 -0.053 0.000 1.116 410 S CA -0.786 57.388 58.200 -0.043 0.000 0.992 410 S CB 0.935 64.108 63.200 -0.045 0.000 1.028 410 S HN 0.722 nan 8.310 nan 0.000 0.484 411 K N 3.082 123.430 120.400 -0.087 0.000 2.664 411 K HA 0.351 4.672 4.320 0.000 0.000 0.234 411 K C -1.089 175.332 176.600 -0.299 0.000 0.980 411 K CA -0.491 55.739 56.287 -0.093 0.000 0.996 411 K CB 1.644 34.140 32.500 -0.006 0.000 1.190 411 K HN 0.619 nan 8.250 nan 0.000 0.479 412 S N 1.908 117.491 115.700 -0.196 0.000 2.489 412 S HA 0.583 5.053 4.470 0.000 0.000 0.291 412 S C -0.674 174.025 174.600 0.164 0.000 1.151 412 S CA -0.800 57.296 58.200 -0.173 0.000 1.082 412 S CB 0.491 63.594 63.200 -0.161 0.000 1.019 412 S HN 0.312 nan 8.310 nan 0.000 0.492 413 Y N -0.335 120.211 120.300 0.409 0.000 2.499 413 Y HA 0.600 5.150 4.550 0.000 0.000 0.347 413 Y C -2.925 173.087 175.900 0.186 0.000 0.987 413 Y CA -3.259 55.070 58.100 0.381 0.000 1.044 413 Y CB 0.294 38.883 38.460 0.214 0.000 1.245 413 Y HN 0.396 nan 8.280 nan 0.000 0.461 414 P HA 0.087 nan 4.420 nan 0.000 0.269 414 P C 0.873 178.044 177.300 -0.215 0.000 1.215 414 P CA -0.122 62.638 63.100 -0.567 0.000 0.780 414 P CB 0.957 32.399 31.700 -0.430 0.000 0.898 415 I N 1.425 121.784 120.570 -0.352 0.000 2.036 415 I HA -0.289 3.881 4.170 0.000 0.000 0.231 415 I C 2.234 178.320 176.117 -0.052 0.000 1.044 415 I CA 2.444 63.551 61.300 -0.322 0.000 1.315 415 I CB -2.002 35.742 38.000 -0.428 0.000 1.051 415 I HN 0.432 nan 8.210 nan 0.000 0.391 416 S N 0.980 116.633 115.700 -0.079 0.000 2.508 416 S HA -0.317 4.153 4.470 0.000 0.000 0.276 416 S C 1.378 175.991 174.600 0.023 0.000 1.154 416 S CA 2.053 60.240 58.200 -0.023 0.000 1.079 416 S CB -1.301 61.868 63.200 -0.050 0.000 0.922 416 S HN 0.578 nan 8.310 nan 0.000 0.469 417 E N 1.893 122.114 120.200 0.035 0.000 2.533 417 E HA 0.279 4.629 4.350 0.000 0.000 0.201 417 E C 0.979 177.635 176.600 0.092 0.000 1.097 417 E CA 0.106 56.536 56.400 0.050 0.000 0.887 417 E CB -0.847 28.878 29.700 0.040 0.000 0.855 417 E HN 0.780 nan 8.360 nan 0.000 0.540 418 G N 3.089 111.976 108.800 0.146 0.000 3.276 418 G HA2 -0.172 3.788 3.960 0.000 0.000 0.679 418 G HA3 -0.172 3.788 3.960 0.000 0.000 0.679 418 G C -1.646 173.368 174.900 0.190 0.000 0.911 418 G CA -0.482 44.715 45.100 0.162 0.000 0.797 418 G HN 0.022 nan 8.290 nan 0.000 0.503 419 P HA -0.045 nan 4.420 nan 0.000 0.242 419 P C 1.218 178.491 177.300 -0.044 0.000 1.198 419 P CA 0.770 63.811 63.100 -0.097 0.000 0.756 419 P CB 0.244 31.446 31.700 -0.831 0.000 0.911 420 E N 0.135 120.343 120.200 0.013 0.000 2.233 420 E HA -0.223 4.128 4.350 0.000 0.000 0.199 420 E C 2.136 178.748 176.600 0.020 0.000 1.004 420 E CA 1.092 57.495 56.400 0.005 0.000 0.819 420 E CB -0.074 29.632 29.700 0.011 0.000 0.738 420 E HN 0.354 nan 8.360 nan 0.000 0.478 421 R N 0.054 120.587 120.500 0.056 0.000 2.074 421 R HA 0.067 4.408 4.340 0.000 0.000 0.218 421 R C 2.363 178.792 176.300 0.216 0.000 1.137 421 R CA 0.928 57.076 56.100 0.079 0.000 0.998 421 R CB -0.183 30.087 30.300 -0.050 0.000 0.895 421 R HN 0.070 nan 8.270 nan 0.000 0.442 422 A N 1.805 124.853 122.820 0.380 0.000 1.985 422 A HA -0.291 4.029 4.320 0.000 0.000 0.223 422 A C 1.631 179.253 177.584 0.063 0.000 1.189 422 A CA 2.175 54.366 52.037 0.257 0.000 0.658 422 A CB -0.779 18.248 19.000 0.045 0.000 0.820 422 A HN 0.456 nan 8.150 nan 0.000 0.464 423 N N -0.362 118.343 118.700 0.008 0.000 2.092 423 N HA -0.098 4.642 4.740 0.000 0.000 0.189 423 N C 1.622 177.147 175.510 0.024 0.000 1.040 423 N CA 1.488 54.527 53.050 -0.019 0.000 0.845 423 N CB -0.718 37.739 38.487 -0.049 0.000 1.017 423 N HN 0.658 nan 8.380 nan 0.000 0.426 424 E N 0.515 120.737 120.200 0.037 0.000 2.208 424 E HA -0.220 4.130 4.350 0.000 0.000 0.202 424 E C 1.788 178.428 176.600 0.066 0.000 1.014 424 E CA 0.734 57.160 56.400 0.044 0.000 0.819 424 E CB -0.157 29.566 29.700 0.038 0.000 0.735 424 E HN 0.148 nan 8.360 nan 0.000 0.469 425 L N 0.538 121.816 121.223 0.092 0.000 1.961 425 L HA -0.166 4.174 4.340 0.000 0.000 0.210 425 L C 2.268 179.198 176.870 0.099 0.000 1.072 425 L CA 1.571 56.476 54.840 0.108 0.000 0.749 425 L CB -0.770 41.368 42.059 0.132 0.000 0.889 425 L HN -0.059 nan 8.230 nan 0.000 0.432 426 V N 0.176 120.127 119.914 0.063 0.000 2.370 426 V HA -0.287 3.833 4.120 0.000 0.000 0.252 426 V C 2.708 178.863 176.094 0.103 0.000 1.068 426 V CA 2.026 64.363 62.300 0.061 0.000 1.061 426 V CB -0.915 30.914 31.823 0.011 0.000 0.656 426 V HN 0.521 nan 8.190 nan 0.000 0.455 427 E N 0.083 120.326 120.200 0.072 0.000 2.158 427 E HA -0.080 4.271 4.350 0.000 0.000 0.191 427 E C 2.468 179.108 176.600 0.067 0.000 0.982 427 E CA 1.223 57.659 56.400 0.059 0.000 0.823 427 E CB -0.016 29.703 29.700 0.032 0.000 0.766 427 E HN 0.669 nan 8.360 nan 0.000 0.468 428 S N 0.411 116.162 115.700 0.086 0.000 2.371 428 S HA -0.133 4.337 4.470 0.000 0.000 0.224 428 S C 1.811 176.466 174.600 0.091 0.000 1.029 428 S CA 0.679 58.924 58.200 0.075 0.000 0.978 428 S CB -0.418 62.832 63.200 0.083 0.000 0.833 428 S HN 0.335 nan 8.310 nan 0.000 0.466 429 Y N 2.667 122.980 120.300 0.022 0.000 2.145 429 Y HA -0.084 4.466 4.550 0.000 0.000 0.286 429 Y C 2.299 178.200 175.900 0.002 0.000 1.145 429 Y CA 1.448 59.562 58.100 0.025 0.000 1.148 429 Y CB -0.226 38.254 38.460 0.033 0.000 0.981 429 Y HN 0.045 nan 8.280 nan 0.000 0.507 430 R N 0.491 121.051 120.500 0.101 0.000 2.241 430 R HA -0.103 4.237 4.340 0.000 0.000 0.224 430 R C 1.385 177.646 176.300 -0.065 0.000 1.101 430 R CA 1.562 57.666 56.100 0.007 0.000 0.995 430 R CB -0.176 30.164 30.300 0.067 0.000 0.870 430 R HN 0.445 nan 8.270 nan 0.000 0.463 431 K N -1.477 118.887 120.400 -0.060 0.000 2.506 431 K HA 0.306 4.627 4.320 0.000 0.000 0.204 431 K C 1.061 177.613 176.600 -0.079 0.000 1.045 431 K CA 0.283 56.532 56.287 -0.063 0.000 1.074 431 K CB 1.034 33.517 32.500 -0.029 0.000 0.842 431 K HN -0.061 nan 8.250 nan 0.000 0.514 432 A N 1.166 123.915 122.820 -0.118 0.000 1.898 432 A HA 0.030 4.350 4.320 0.000 0.000 0.214 432 A C 1.228 178.737 177.584 -0.124 0.000 1.183 432 A CA 1.053 53.026 52.037 -0.107 0.000 0.622 432 A CB -0.016 18.919 19.000 -0.109 0.000 0.824 432 A HN 0.401 nan 8.150 nan 0.000 0.444 433 S N -0.388 115.199 115.700 -0.189 0.000 2.578 433 S HA 0.337 4.807 4.470 0.000 0.000 0.301 433 S C 0.612 175.109 174.600 -0.171 0.000 1.091 433 S CA -0.178 57.909 58.200 -0.187 0.000 1.032 433 S CB 0.894 63.930 63.200 -0.274 0.000 1.064 433 S HN 0.505 nan 8.310 nan 0.000 0.508 434 N N 1.396 120.007 118.700 -0.149 0.000 2.336 434 N HA 0.094 4.834 4.740 0.000 0.000 0.189 434 N C -0.695 174.730 175.510 -0.142 0.000 1.113 434 N CA -0.104 52.874 53.050 -0.120 0.000 0.858 434 N CB -0.091 38.346 38.487 -0.083 0.000 0.970 434 N HN 0.393 nan 8.380 nan 0.000 0.471 435 K N -0.234 120.029 120.400 -0.228 0.000 2.350 435 K HA 0.663 4.983 4.320 0.000 0.000 0.241 435 K C -0.392 176.043 176.600 -0.274 0.000 0.994 435 K CA -0.812 55.305 56.287 -0.283 0.000 0.839 435 K CB 1.420 33.565 32.500 -0.592 0.000 1.244 435 K HN -0.031 nan 8.250 nan 0.000 0.443 436 A N 1.006 123.767 122.820 -0.097 0.000 2.640 436 A HA 0.344 4.664 4.320 0.000 0.000 0.282 436 A C -0.895 176.727 177.584 0.063 0.000 1.357 436 A CA 0.066 52.086 52.037 -0.029 0.000 0.946 436 A CB -0.989 18.051 19.000 0.067 0.000 1.065 436 A HN 0.666 nan 8.150 nan 0.000 0.541 437 Y N -5.450 114.724 120.300 -0.210 0.000 2.750 437 Y HA 0.726 5.276 4.550 0.000 0.000 0.335 437 Y C -1.501 174.231 175.900 -0.280 0.000 1.252 437 Y CA -2.494 55.493 58.100 -0.187 0.000 1.064 437 Y CB 0.622 39.113 38.460 0.053 0.000 1.321 437 Y HN -0.109 nan 8.280 nan 0.000 0.451 438 F N 1.293 121.398 119.950 0.258 0.000 2.426 438 F HA 0.452 4.979 4.527 0.001 0.000 0.348 438 F C -0.031 176.000 175.800 0.384 0.000 1.124 438 F CA -0.750 57.327 58.000 0.129 0.000 1.008 438 F CB 1.975 40.932 39.000 -0.071 0.000 1.139 438 F HN 0.553 nan 8.300 nan 0.000 0.452 439 E N 5.354 125.842 120.200 0.481 0.000 2.134 439 E HA 0.370 4.720 4.350 0.000 0.000 0.278 439 E C -1.320 175.590 176.600 0.517 0.000 0.959 439 E CA -0.495 56.187 56.400 0.470 0.000 0.783 439 E CB 1.218 31.104 29.700 0.310 0.000 1.095 439 E HN 0.631 nan 8.360 nan 0.000 0.399 440 W N 1.918 123.277 121.300 0.097 0.000 2.937 440 W HA 0.426 5.086 4.660 0.000 0.000 0.360 440 W C -1.792 174.738 176.519 0.017 0.000 1.215 440 W CA -0.875 56.500 57.345 0.049 0.000 1.183 440 W CB 0.081 29.555 29.460 0.023 0.000 1.458 440 W HN 0.418 nan 8.180 nan 0.000 0.574 441 T N -0.016 114.476 114.554 -0.105 0.000 2.893 441 T HA 0.788 5.139 4.350 0.000 0.000 0.293 441 T C -1.236 173.250 174.700 -0.357 0.000 1.027 441 T CA -0.575 61.327 62.100 -0.330 0.000 0.988 441 T CB 2.465 71.207 68.868 -0.211 0.000 1.043 441 T HN 0.593 nan 8.240 nan 0.000 0.461 442 I N 1.399 121.699 120.570 -0.450 0.000 2.619 442 I HA 0.336 4.506 4.170 0.000 0.000 0.292 442 I C -0.286 175.688 176.117 -0.238 0.000 1.100 442 I CA -0.927 60.183 61.300 -0.317 0.000 1.043 442 I CB 2.383 40.137 38.000 -0.409 0.000 1.239 442 I HN 0.778 nan 8.210 nan 0.000 0.420 443 E N 4.609 124.706 120.200 -0.172 0.000 2.392 443 E HA 0.144 4.494 4.350 0.000 0.000 0.264 443 E C 0.941 177.436 176.600 -0.176 0.000 1.024 443 E CA 0.187 56.495 56.400 -0.153 0.000 0.903 443 E CB 1.137 30.767 29.700 -0.116 0.000 0.963 443 E HN 0.749 nan 8.360 nan 0.000 0.432 444 A N 4.543 127.251 122.820 -0.186 0.000 1.985 444 A HA -0.336 3.985 4.320 0.000 0.000 0.223 444 A C 2.026 179.233 177.584 -0.628 0.000 1.189 444 A CA 2.411 54.242 52.037 -0.343 0.000 0.658 444 A CB -0.659 18.186 19.000 -0.258 0.000 0.820 444 A HN 0.795 nan 8.150 nan 0.000 0.464 445 R N -1.267 118.981 120.500 -0.419 0.000 2.153 445 R HA -0.016 4.324 4.340 0.000 0.000 0.218 445 R C 0.442 176.637 176.300 -0.175 0.000 1.072 445 R CA 1.257 57.172 56.100 -0.309 0.000 0.990 445 R CB -0.570 29.756 30.300 0.044 0.000 0.889 445 R HN 0.272 nan 8.270 nan 0.000 0.452 446 D N 1.095 121.410 120.400 -0.140 0.000 2.378 446 D HA -0.050 4.590 4.640 0.000 0.000 0.227 446 D C 1.498 177.748 176.300 -0.083 0.000 1.012 446 D CA 0.265 54.214 54.000 -0.085 0.000 0.905 446 D CB 0.161 40.923 40.800 -0.063 0.000 0.895 446 D HN 0.137 nan 8.370 nan 0.000 0.532 447 L N 1.160 122.305 121.223 -0.129 0.000 2.056 447 L HA -0.146 4.194 4.340 0.000 0.000 0.207 447 L C 2.129 178.962 176.870 -0.062 0.000 1.078 447 L CA 1.441 56.226 54.840 -0.091 0.000 0.749 447 L CB -0.802 41.196 42.059 -0.103 0.000 0.901 447 L HN -0.007 nan 8.230 nan 0.000 0.433 448 S N -1.184 114.475 115.700 -0.068 0.000 2.465 448 S HA -0.171 4.299 4.470 0.000 0.000 0.241 448 S C 1.922 176.506 174.600 -0.027 0.000 1.000 448 S CA 1.245 59.422 58.200 -0.039 0.000 0.964 448 S CB -0.872 62.314 63.200 -0.024 0.000 0.763 448 S HN 0.516 nan 8.310 nan 0.000 0.512 449 L N 0.451 121.659 121.223 -0.024 0.000 2.376 449 L HA 0.207 4.547 4.340 0.000 0.000 0.219 449 L C 0.868 177.730 176.870 -0.013 0.000 1.133 449 L CA 0.234 55.064 54.840 -0.016 0.000 0.816 449 L CB -0.538 41.515 42.059 -0.010 0.000 0.933 449 L HN 0.290 nan 8.230 nan 0.000 0.449 450 L N 0.583 121.804 121.223 -0.004 0.000 2.453 450 L HA 0.150 4.491 4.340 0.000 0.000 0.272 450 L C 0.884 177.739 176.870 -0.026 0.000 1.182 450 L CA -0.247 54.594 54.840 0.003 0.000 0.858 450 L CB 0.471 42.553 42.059 0.037 0.000 1.120 450 L HN 0.008 nan 8.230 nan 0.000 0.474 451 G N 1.297 110.066 108.800 -0.050 0.000 2.353 451 G HA2 0.312 4.273 3.960 0.000 0.000 0.284 451 G HA3 0.312 4.273 3.960 0.000 0.000 0.284 451 G C 0.909 175.782 174.900 -0.046 0.000 1.172 451 G CA 0.195 45.257 45.100 -0.064 0.000 0.854 451 G HN 0.893 nan 8.290 nan 0.000 0.485 452 S N 2.795 118.473 115.700 -0.036 0.000 2.068 452 S HA -0.479 3.991 4.470 0.000 0.000 0.498 452 S C 1.625 176.293 174.600 0.113 0.000 0.963 452 S CA 2.217 60.422 58.200 0.009 0.000 3.049 452 S CB -1.508 61.673 63.200 -0.032 0.000 2.163 452 S HN 0.807 nan 8.310 nan 0.000 0.541 453 H N 1.043 120.123 119.070 0.018 0.000 2.260 453 H HA -0.136 4.420 4.556 0.000 0.000 0.288 453 H C 2.336 177.735 175.328 0.118 0.000 1.094 453 H CA 1.664 57.767 56.048 0.091 0.000 1.197 453 H CB -0.550 29.301 29.762 0.148 0.000 1.346 453 H HN 0.292 nan 8.280 nan 0.000 0.486 454 V N 0.753 120.722 119.914 0.091 0.000 2.469 454 V HA -0.271 3.849 4.120 0.000 0.000 0.251 454 V C 2.455 178.618 176.094 0.115 0.000 1.064 454 V CA 2.064 64.326 62.300 -0.064 0.000 1.066 454 V CB -0.486 31.133 31.823 -0.340 0.000 0.667 454 V HN 0.300 nan 8.190 nan 0.000 0.461 455 R N 1.130 121.679 120.500 0.081 0.000 2.062 455 R HA -0.092 4.248 4.340 0.000 0.000 0.229 455 R C 2.154 178.493 176.300 0.063 0.000 1.128 455 R CA 1.684 57.821 56.100 0.061 0.000 0.960 455 R CB -0.493 29.808 30.300 0.001 0.000 0.855 455 R HN 0.437 nan 8.270 nan 0.000 0.432 456 K N -0.181 120.256 120.400 0.062 0.000 2.211 456 K HA 0.029 4.349 4.320 0.000 0.000 0.203 456 K C 1.615 178.263 176.600 0.080 0.000 1.050 456 K CA 1.132 57.423 56.287 0.007 0.000 0.945 456 K CB 0.008 32.489 32.500 -0.032 0.000 0.732 456 K HN 0.272 nan 8.250 nan 0.000 0.451 457 A N 1.123 124.085 122.820 0.237 0.000 2.251 457 A HA 0.036 4.357 4.320 0.000 0.000 0.209 457 A C 0.507 178.471 177.584 0.633 0.000 1.187 457 A CA 0.342 52.632 52.037 0.421 0.000 0.823 457 A CB 0.074 19.367 19.000 0.489 0.000 0.846 457 A HN 0.047 nan 8.150 nan 0.000 0.486 458 T N 0.588 115.437 114.554 0.491 0.000 2.829 458 T HA 0.571 4.921 4.350 0.000 0.000 0.282 458 T C -0.770 174.132 174.700 0.336 0.000 0.990 458 T CA -0.074 62.251 62.100 0.374 0.000 1.028 458 T CB 0.638 69.677 68.868 0.284 0.000 0.951 458 T HN 0.401 nan 8.240 nan 0.000 0.460 459 Y N -0.068 120.298 120.300 0.110 0.000 2.588 459 Y HA 0.697 5.247 4.550 0.000 0.000 0.343 459 Y C -0.322 175.541 175.900 -0.062 0.000 1.065 459 Y CA -1.487 56.586 58.100 -0.045 0.000 1.038 459 Y CB 0.987 39.084 38.460 -0.606 0.000 1.297 459 Y HN 0.425 nan 8.280 nan 0.000 0.467 460 Q N 0.675 120.355 119.800 -0.201 0.000 2.185 460 Q HA 0.666 5.006 4.340 0.000 0.000 0.225 460 Q C -0.757 175.196 176.000 -0.079 0.000 0.983 460 Q CA -0.643 54.925 55.803 -0.392 0.000 0.950 460 Q CB 1.763 30.025 28.738 -0.792 0.000 1.176 460 Q HN 0.894 nan 8.270 nan 0.000 0.510 461 T N -1.569 113.085 114.554 0.167 0.000 2.912 461 T HA 0.548 4.899 4.350 0.000 0.000 0.299 461 T C -1.142 173.781 174.700 0.371 0.000 1.052 461 T CA -0.823 61.483 62.100 0.343 0.000 0.996 461 T CB 0.617 69.562 68.868 0.129 0.000 1.070 461 T HN 0.545 nan 8.240 nan 0.000 0.465 462 Y N 1.268 121.705 120.300 0.228 0.000 2.457 462 Y HA 0.894 5.444 4.550 0.000 0.000 0.333 462 Y C -0.303 175.621 175.900 0.039 0.000 1.119 462 Y CA -1.510 56.632 58.100 0.069 0.000 1.143 462 Y CB 1.098 39.526 38.460 -0.053 0.000 1.230 462 Y HN 0.979 nan 8.280 nan 0.000 0.469 463 A N 3.853 126.664 122.820 -0.014 0.000 2.337 463 A HA 0.758 5.078 4.320 0.000 0.000 0.331 463 A C -2.691 174.886 177.584 -0.012 0.000 1.137 463 A CA -2.278 49.708 52.037 -0.086 0.000 0.807 463 A CB 0.809 19.791 19.000 -0.031 0.000 1.250 463 A HN 0.670 nan 8.150 nan 0.000 0.468 464 P HA 0.253 nan 4.420 nan 0.000 0.274 464 P C -0.708 176.618 177.300 0.043 0.000 1.260 464 P CA -0.019 63.096 63.100 0.024 0.000 0.793 464 P CB 0.671 32.373 31.700 0.003 0.000 1.048 465 I N 1.498 122.102 120.570 0.056 0.000 2.442 465 I HA 0.136 4.307 4.170 0.000 0.000 0.279 465 I C 1.668 177.828 176.117 0.072 0.000 1.081 465 I CA -0.385 60.959 61.300 0.073 0.000 1.197 465 I CB 0.210 38.257 38.000 0.077 0.000 1.394 465 I HN 0.169 nan 8.210 nan 0.000 0.488 466 L N 4.116 125.380 121.223 0.069 0.000 2.450 466 L HA -0.120 4.220 4.340 0.000 0.000 0.224 466 L C 0.833 177.761 176.870 0.096 0.000 1.149 466 L CA 0.847 55.719 54.840 0.054 0.000 0.816 466 L CB -0.510 41.572 42.059 0.039 0.000 0.932 466 L HN 0.480 nan 8.230 nan 0.000 0.449 467 Y N 2.308 122.605 120.300 -0.005 0.000 2.442 467 Y HA 0.110 4.660 4.550 0.000 0.000 0.330 467 Y C 0.204 176.108 175.900 0.006 0.000 1.129 467 Y CA -0.577 57.523 58.100 0.000 0.000 1.365 467 Y CB 0.317 38.781 38.460 0.005 0.000 1.233 467 Y HN 0.048 nan 8.280 nan 0.000 0.529 468 E N 5.561 125.417 120.200 -0.572 0.000 2.165 468 E HA 0.227 4.578 4.350 0.000 0.000 0.266 468 E C -0.405 175.843 176.600 -0.587 0.000 0.889 468 E CA -0.768 55.351 56.400 -0.469 0.000 0.756 468 E CB 0.958 30.529 29.700 -0.216 0.000 1.131 468 E HN 0.720 nan 8.360 nan 0.000 0.411 469 N N 1.323 119.806 118.700 -0.361 0.000 2.483 469 N HA 0.207 4.947 4.740 0.000 0.000 0.271 469 N C 0.089 175.591 175.510 -0.013 0.000 1.350 469 N CA -0.044 52.910 53.050 -0.161 0.000 0.886 469 N CB 0.346 38.849 38.487 0.026 0.000 1.106 469 N HN 0.460 nan 8.380 nan 0.000 0.441 470 D N -2.672 117.813 120.400 0.142 0.000 3.809 470 D HA -0.063 4.577 4.640 0.000 0.000 0.318 470 D C 0.395 176.913 176.300 0.364 0.000 0.800 470 D CA -0.006 54.138 54.000 0.239 0.000 0.820 470 D CB -0.934 39.956 40.800 0.151 0.000 1.740 470 D HN 0.495 nan 8.370 nan 0.000 0.225 471 H N -0.771 118.443 119.070 0.240 0.000 2.538 471 H HA -0.147 4.409 4.556 0.000 0.000 0.294 471 H C 1.700 177.160 175.328 0.220 0.000 1.083 471 H CA 1.383 57.522 56.048 0.152 0.000 1.233 471 H CB 0.142 29.924 29.762 0.034 0.000 1.360 471 H HN 0.119 nan 8.280 nan 0.000 0.571 472 F N -0.954 119.246 119.950 0.417 0.000 2.317 472 F HA -0.011 4.517 4.527 0.000 0.000 0.290 472 F C 1.824 177.806 175.800 0.304 0.000 1.075 472 F CA 0.459 58.684 58.000 0.376 0.000 1.380 472 F CB -0.316 38.904 39.000 0.366 0.000 1.093 472 F HN 0.158 nan 8.300 nan 0.000 0.524 473 F N 0.753 120.895 119.950 0.319 0.000 2.408 473 F HA -0.167 4.360 4.527 0.000 0.000 0.300 473 F C 1.728 177.572 175.800 0.074 0.000 1.090 473 F CA 1.405 59.512 58.000 0.177 0.000 1.427 473 F CB -0.265 38.815 39.000 0.132 0.000 1.070 473 F HN -0.044 nan 8.300 nan 0.000 0.549 474 D N -0.754 119.725 120.400 0.132 0.000 2.232 474 D HA -0.170 4.470 4.640 0.000 0.000 0.220 474 D C 1.848 178.089 176.300 -0.097 0.000 0.982 474 D CA 1.035 55.029 54.000 -0.010 0.000 0.892 474 D CB -1.161 39.659 40.800 0.033 0.000 1.040 474 D HN 0.338 nan 8.370 nan 0.000 0.463 475 Y N 1.294 121.505 120.300 -0.149 0.000 2.321 475 Y HA -0.272 4.278 4.550 0.000 0.000 0.281 475 Y C 2.202 177.973 175.900 -0.215 0.000 1.200 475 Y CA 1.500 59.490 58.100 -0.184 0.000 1.269 475 Y CB -0.164 38.175 38.460 -0.202 0.000 0.972 475 Y HN -0.063 nan 8.280 nan 0.000 0.550 476 M N -0.915 118.563 119.600 -0.203 0.000 2.325 476 M HA -0.124 4.356 4.480 0.000 0.000 0.265 476 M C 1.060 177.191 176.300 -0.282 0.000 1.094 476 M CA 0.950 56.104 55.300 -0.243 0.000 1.161 476 M CB -0.036 32.432 32.600 -0.220 0.000 1.358 476 M HN 0.064 nan 8.290 nan 0.000 0.446 477 Q N 1.471 121.079 119.800 -0.320 0.000 2.383 477 Q HA -0.033 4.307 4.340 0.000 0.000 0.210 477 Q C 0.093 175.976 176.000 -0.195 0.000 0.891 477 Q CA 0.631 56.270 55.803 -0.272 0.000 0.985 477 Q CB -0.231 28.332 28.738 -0.291 0.000 1.409 477 Q HN 0.431 nan 8.270 nan 0.000 0.391 478 K N -1.676 118.597 120.400 -0.212 0.000 2.603 478 K HA 0.080 4.400 4.320 0.000 0.000 0.202 478 K C 0.913 177.415 176.600 -0.163 0.000 1.279 478 K CA 0.102 56.275 56.287 -0.190 0.000 1.056 478 K CB 0.869 33.208 32.500 -0.269 0.000 1.062 478 K HN -0.016 nan 8.250 nan 0.000 0.606 479 S N -0.219 115.399 115.700 -0.137 0.000 2.769 479 S HA 0.198 4.668 4.470 0.000 0.000 0.258 479 S C 0.060 174.650 174.600 -0.018 0.000 1.080 479 S CA -0.092 58.059 58.200 -0.081 0.000 0.943 479 S CB 0.458 63.604 63.200 -0.089 0.000 0.893 479 S HN -0.051 nan 8.310 nan 0.000 0.490 480 K N -0.010 120.379 120.400 -0.019 0.000 2.380 480 K HA 0.521 4.841 4.320 0.000 0.000 0.243 480 K C -1.032 175.549 176.600 -0.031 0.000 1.071 480 K CA -0.600 55.697 56.287 0.017 0.000 0.942 480 K CB 0.235 32.803 32.500 0.112 0.000 1.324 480 K HN 0.233 nan 8.250 nan 0.000 0.517 481 F N 0.304 120.001 119.950 -0.422 0.000 2.965 481 F HA 0.045 4.572 4.527 0.000 0.000 0.321 481 F C -0.974 174.625 175.800 -0.336 0.000 1.274 481 F CA -0.265 57.512 58.000 -0.372 0.000 0.929 481 F CB 0.331 39.098 39.000 -0.388 0.000 1.528 481 F HN 0.710 nan 8.300 nan 0.000 0.494 482 H N 0.199 119.299 119.070 0.050 0.000 3.068 482 H HA 0.455 5.011 4.556 0.000 0.000 0.231 482 H C -1.870 173.456 175.328 -0.003 0.000 1.339 482 H CA -1.027 55.037 56.048 0.026 0.000 1.433 482 H CB -0.962 28.839 29.762 0.064 0.000 2.168 482 H HN 0.026 nan 8.280 nan 0.000 0.623 483 L N 2.497 123.803 121.223 0.139 0.000 2.406 483 L HA 0.500 4.840 4.340 0.000 0.000 0.272 483 L C 0.111 176.992 176.870 0.019 0.000 0.980 483 L CA -0.021 54.858 54.840 0.065 0.000 0.831 483 L CB 1.744 43.824 42.059 0.035 0.000 1.253 483 L HN 0.713 nan 8.230 nan 0.000 0.406 484 T N 1.946 116.509 114.554 0.014 0.000 2.856 484 T HA -0.129 4.221 4.350 0.000 0.000 0.327 484 T C 1.408 176.123 174.700 0.025 0.000 1.061 484 T CA -0.048 62.058 62.100 0.010 0.000 1.131 484 T CB 0.570 69.432 68.868 -0.011 0.000 1.083 484 T HN 0.520 nan 8.240 nan 0.000 0.518 485 I N 0.591 121.184 120.570 0.038 0.000 3.241 485 I HA -0.036 4.135 4.170 0.000 0.000 0.280 485 I C 1.637 177.797 176.117 0.070 0.000 1.320 485 I CA 0.935 62.278 61.300 0.072 0.000 1.413 485 I CB -0.888 37.149 38.000 0.061 0.000 1.060 485 I HN 0.695 nan 8.210 nan 0.000 0.500 486 E N -0.281 119.935 120.200 0.027 0.000 2.465 486 E HA 0.133 4.483 4.350 0.000 0.000 0.191 486 E C 2.070 178.673 176.600 0.005 0.000 1.053 486 E CA 0.428 56.825 56.400 -0.005 0.000 0.869 486 E CB -0.101 29.550 29.700 -0.081 0.000 0.977 486 E HN 0.590 nan 8.360 nan 0.000 0.483 487 G N 3.282 112.106 108.800 0.040 0.000 2.764 487 G HA2 -0.286 3.674 3.960 0.000 0.000 0.219 487 G HA3 -0.286 3.674 3.960 0.000 0.000 0.219 487 G C -0.840 174.137 174.900 0.128 0.000 1.259 487 G CA 0.963 46.092 45.100 0.049 0.000 0.793 487 G HN 0.238 nan 8.290 nan 0.000 0.633 488 P HA -0.108 nan 4.420 nan 0.000 0.215 488 P C 1.804 179.293 177.300 0.315 0.000 1.157 488 P CA 1.872 65.228 63.100 0.427 0.000 0.874 488 P CB -0.120 31.843 31.700 0.438 0.000 0.790 489 K N 0.063 120.568 120.400 0.174 0.000 1.988 489 K HA -0.188 4.132 4.320 0.000 0.000 0.221 489 K C 1.836 178.529 176.600 0.154 0.000 1.053 489 K CA 2.473 58.837 56.287 0.129 0.000 0.959 489 K CB -1.031 31.502 32.500 0.055 0.000 0.728 489 K HN -0.144 nan 8.250 nan 0.000 0.447 490 V N 1.465 121.367 119.914 -0.019 0.000 2.324 490 V HA -0.261 3.859 4.120 0.000 0.000 0.250 490 V C 2.389 178.604 176.094 0.202 0.000 1.060 490 V CA 1.844 64.090 62.300 -0.090 0.000 1.042 490 V CB -0.649 30.982 31.823 -0.319 0.000 0.650 490 V HN 0.450 nan 8.190 nan 0.000 0.450 491 L N 0.616 121.969 121.223 0.216 0.000 2.156 491 L HA 0.109 4.449 4.340 0.000 0.000 0.208 491 L C 2.347 179.417 176.870 0.333 0.000 1.095 491 L CA 2.052 57.048 54.840 0.261 0.000 0.770 491 L CB -0.988 41.228 42.059 0.263 0.000 0.914 491 L HN 0.196 nan 8.230 nan 0.000 0.439 492 A N -1.297 121.740 122.820 0.362 0.000 1.872 492 A HA -0.243 4.077 4.320 0.000 0.000 0.214 492 A C 2.277 180.042 177.584 0.301 0.000 1.187 492 A CA 1.518 53.718 52.037 0.272 0.000 0.614 492 A CB -1.146 17.903 19.000 0.081 0.000 0.826 492 A HN 0.557 nan 8.150 nan 0.000 0.442 493 Y N 0.675 121.080 120.300 0.175 0.000 2.224 493 Y HA -0.143 4.407 4.550 0.000 0.000 0.289 493 Y C 1.937 177.874 175.900 0.061 0.000 1.146 493 Y CA 1.695 59.869 58.100 0.124 0.000 1.182 493 Y CB -0.184 38.442 38.460 0.277 0.000 0.983 493 Y HN 0.205 nan 8.280 nan 0.000 0.524 494 L N -0.930 120.378 121.223 0.141 0.000 2.109 494 L HA -0.195 4.145 4.340 0.000 0.000 0.207 494 L C 2.429 179.219 176.870 -0.134 0.000 1.086 494 L CA 0.934 55.752 54.840 -0.037 0.000 0.760 494 L CB -0.629 41.502 42.059 0.120 0.000 0.910 494 L HN 0.285 nan 8.230 nan 0.000 0.437 495 L N -0.284 120.918 121.223 -0.035 0.000 2.017 495 L HA -0.145 4.195 4.340 0.000 0.000 0.208 495 L C 2.639 179.532 176.870 0.038 0.000 1.073 495 L CA 1.480 56.267 54.840 -0.088 0.000 0.745 495 L CB -0.941 40.953 42.059 -0.275 0.000 0.894 495 L HN 0.301 nan 8.230 nan 0.000 0.432 496 G N -0.144 108.591 108.800 -0.109 0.000 2.480 496 G HA2 -0.270 3.690 3.960 0.000 0.000 0.216 496 G HA3 -0.270 3.690 3.960 0.000 0.000 0.216 496 G C 1.596 176.200 174.900 -0.493 0.000 1.200 496 G CA 0.578 45.234 45.100 -0.739 0.000 0.782 496 G HN 0.240 nan 8.290 nan 0.000 0.554 497 L N -1.129 119.764 121.223 -0.551 0.000 2.137 497 L HA -0.162 4.178 4.340 0.000 0.000 0.213 497 L C 2.557 179.085 176.870 -0.570 0.000 1.085 497 L CA 1.366 55.841 54.840 -0.608 0.000 0.760 497 L CB -0.183 41.433 42.059 -0.738 0.000 0.893 497 L HN 0.525 nan 8.230 nan 0.000 0.434 498 W N 0.195 121.140 121.300 -0.590 0.000 2.518 498 W HA -0.108 4.552 4.660 0.000 0.000 0.273 498 W C 2.151 178.561 176.519 -0.182 0.000 1.247 498 W CA 0.660 57.736 57.345 -0.449 0.000 1.288 498 W CB 0.179 29.456 29.460 -0.305 0.000 1.107 498 W HN 0.002 nan 8.180 nan 0.000 0.586 499 I N 0.112 120.521 120.570 -0.268 0.000 2.439 499 I HA 0.007 4.178 4.170 0.000 0.000 0.251 499 I C 2.272 178.202 176.117 -0.311 0.000 1.139 499 I CA 1.296 62.421 61.300 -0.291 0.000 1.438 499 I CB -2.204 35.803 38.000 0.010 0.000 1.085 499 I HN 0.018 nan 8.210 nan 0.000 0.427 500 G N 2.582 111.214 108.800 -0.280 0.000 2.632 500 G HA2 -0.150 3.810 3.960 0.000 0.000 0.183 500 G HA3 -0.150 3.810 3.960 0.000 0.000 0.183 500 G C -0.306 174.484 174.900 -0.184 0.000 1.592 500 G CA 0.475 45.453 45.100 -0.203 0.000 0.880 500 G HN 0.499 nan 8.290 nan 0.000 0.399 501 D N 0.633 120.960 120.400 -0.122 0.000 2.522 501 D HA 0.510 5.150 4.640 0.000 0.000 0.218 501 D C 0.431 176.719 176.300 -0.019 0.000 1.149 501 D CA -0.119 53.850 54.000 -0.051 0.000 0.981 501 D CB 0.713 41.525 40.800 0.020 0.000 1.041 501 D HN 0.418 nan 8.370 nan 0.000 0.518 502 G N 0.464 109.149 108.800 -0.191 0.000 3.016 502 G HA2 0.792 4.752 3.960 0.000 0.000 0.270 502 G HA3 0.792 4.752 3.960 0.000 0.000 0.270 502 G C -1.031 173.867 174.900 -0.003 0.000 1.352 502 G CA -1.031 43.941 45.100 -0.214 0.000 1.060 502 G HN 0.360 nan 8.290 nan 0.000 0.538 503 L N -0.087 121.326 121.223 0.316 0.000 2.445 503 L HA 0.409 4.749 4.340 0.000 0.000 0.262 503 L C -0.469 176.852 176.870 0.751 0.000 0.974 503 L CA -0.917 54.157 54.840 0.390 0.000 0.822 503 L CB 2.775 45.031 42.059 0.328 0.000 1.339 503 L HN 0.548 nan 8.230 nan 0.000 0.409 504 S N 0.071 116.122 115.700 0.584 0.000 2.512 504 S HA 0.572 5.043 4.470 0.000 0.000 0.291 504 S C -0.327 174.585 174.600 0.520 0.000 1.151 504 S CA -0.389 58.288 58.200 0.794 0.000 1.120 504 S CB 0.396 63.944 63.200 0.579 0.000 1.029 504 S HN 0.848 nan 8.310 nan 0.000 0.485 505 D N 0.422 120.978 120.400 0.260 0.000 4.213 505 D HA -0.083 4.557 4.640 0.000 0.000 0.267 505 D C -0.047 175.735 176.300 -0.864 0.000 0.455 505 D CA -0.216 53.590 54.000 -0.325 0.000 0.695 505 D CB -0.625 40.137 40.800 -0.063 0.000 1.627 505 D HN 0.690 nan 8.370 nan 0.000 0.123 506 R N -0.301 119.760 120.500 -0.731 0.000 2.634 506 R HA 0.796 5.137 4.340 0.000 0.000 0.263 506 R C -0.853 175.470 176.300 0.038 0.000 1.060 506 R CA -0.609 55.209 56.100 -0.469 0.000 0.898 506 R CB 0.948 31.156 30.300 -0.153 0.000 1.253 506 R HN 0.066 nan 8.270 nan 0.000 0.461 507 A N 1.552 124.450 122.820 0.129 0.000 2.305 507 A HA 0.159 4.479 4.320 0.000 0.000 0.236 507 A C -0.202 177.575 177.584 0.323 0.000 1.392 507 A CA 0.186 52.392 52.037 0.282 0.000 1.205 507 A CB -0.660 18.466 19.000 0.211 0.000 0.881 507 A HN 0.603 nan 8.150 nan 0.000 0.558 508 T N 1.022 115.756 114.554 0.300 0.000 2.837 508 T HA 0.580 4.930 4.350 0.000 0.000 0.285 508 T C -0.618 174.336 174.700 0.423 0.000 0.984 508 T CA -0.025 62.179 62.100 0.173 0.000 1.049 508 T CB 0.442 69.355 68.868 0.076 0.000 0.947 508 T HN 0.521 nan 8.240 nan 0.000 0.472 509 F N -0.051 120.006 119.950 0.179 0.000 2.730 509 F HA 0.536 5.063 4.527 0.000 0.000 0.335 509 F C 0.169 176.015 175.800 0.076 0.000 1.212 509 F CA -1.269 56.826 58.000 0.157 0.000 1.016 509 F CB 0.744 39.871 39.000 0.212 0.000 1.290 509 F HN 0.440 nan 8.300 nan 0.000 0.495 510 S N 3.410 119.202 115.700 0.154 0.000 2.945 510 S HA 0.213 4.684 4.470 0.000 0.000 0.344 510 S C -0.090 174.565 174.600 0.093 0.000 1.066 510 S CA -0.159 58.084 58.200 0.071 0.000 1.721 510 S CB -0.839 62.394 63.200 0.057 0.000 1.330 510 S HN 0.529 nan 8.310 nan 0.000 0.623 511 V N 4.711 124.661 119.914 0.059 0.000 2.837 511 V HA 0.337 4.457 4.120 0.000 0.000 0.310 511 V C 0.629 176.736 176.094 0.022 0.000 1.059 511 V CA -1.035 61.316 62.300 0.085 0.000 1.004 511 V CB 1.714 33.604 31.823 0.111 0.000 1.045 511 V HN 0.765 nan 8.190 nan 0.000 0.465 512 D N 1.250 121.668 120.400 0.029 0.000 2.350 512 D HA 0.083 4.723 4.640 0.000 0.000 0.249 512 D C 1.022 177.313 176.300 -0.014 0.000 1.119 512 D CA 0.390 54.392 54.000 0.003 0.000 0.886 512 D CB 1.845 42.653 40.800 0.012 0.000 1.195 512 D HN 0.626 nan 8.370 nan 0.000 0.437 513 S N 4.062 119.737 115.700 -0.042 0.000 2.388 513 S HA -0.074 4.397 4.470 0.000 0.000 0.223 513 S C 1.872 176.451 174.600 -0.034 0.000 1.034 513 S CA 0.082 58.243 58.200 -0.065 0.000 0.963 513 S CB -0.035 63.109 63.200 -0.093 0.000 0.827 513 S HN 0.549 nan 8.310 nan 0.000 0.481 514 R N 1.506 121.992 120.500 -0.024 0.000 2.170 514 R HA -0.032 4.308 4.340 0.000 0.000 0.242 514 R C -0.077 176.222 176.300 -0.002 0.000 1.145 514 R CA 1.383 57.475 56.100 -0.013 0.000 0.984 514 R CB -0.310 29.984 30.300 -0.011 0.000 0.869 514 R HN 0.340 nan 8.270 nan 0.000 0.455 515 D N 0.257 120.661 120.400 0.007 0.000 2.483 515 D HA -0.022 4.618 4.640 0.000 0.000 0.220 515 D C -0.061 176.252 176.300 0.020 0.000 1.173 515 D CA 0.209 54.219 54.000 0.018 0.000 0.964 515 D CB 1.018 41.836 40.800 0.031 0.000 1.046 515 D HN 0.156 nan 8.370 nan 0.000 0.517 516 T N -0.503 114.059 114.554 0.012 0.000 3.609 516 T HA 0.071 4.421 4.350 0.000 0.000 0.245 516 T C 0.979 175.683 174.700 0.007 0.000 0.980 516 T CA 0.142 62.251 62.100 0.015 0.000 0.940 516 T CB -0.204 68.669 68.868 0.009 0.000 1.105 516 T HN 0.163 nan 8.240 nan 0.000 0.627 517 S N -0.720 114.984 115.700 0.007 0.000 2.918 517 S HA 0.170 4.640 4.470 0.000 0.000 0.264 517 S C 1.252 175.850 174.600 -0.003 0.000 1.078 517 S CA -0.193 57.997 58.200 -0.017 0.000 0.918 517 S CB -0.411 62.767 63.200 -0.036 0.000 0.882 517 S HN 0.275 nan 8.310 nan 0.000 0.466 518 L N 2.443 123.684 121.223 0.031 0.000 2.005 518 L HA 0.159 4.500 4.340 0.000 0.000 0.207 518 L C 2.359 179.281 176.870 0.086 0.000 1.072 518 L CA 1.904 56.788 54.840 0.072 0.000 0.744 518 L CB -0.982 41.126 42.059 0.081 0.000 0.895 518 L HN 0.194 nan 8.230 nan 0.000 0.433 519 M N -0.344 119.305 119.600 0.082 0.000 2.088 519 M HA -0.258 4.222 4.480 0.000 0.000 0.256 519 M C 2.150 178.507 176.300 0.095 0.000 1.071 519 M CA 1.838 57.205 55.300 0.112 0.000 1.097 519 M CB -1.441 31.224 32.600 0.108 0.000 1.315 519 M HN 0.376 nan 8.290 nan 0.000 0.406 520 E N -0.660 119.572 120.200 0.054 0.000 2.031 520 E HA -0.232 4.119 4.350 0.000 0.000 0.193 520 E C 2.109 178.722 176.600 0.021 0.000 0.994 520 E CA 1.236 57.656 56.400 0.034 0.000 0.800 520 E CB -0.410 29.294 29.700 0.006 0.000 0.752 520 E HN 0.288 nan 8.360 nan 0.000 0.447 521 R N 1.680 122.160 120.500 -0.033 0.000 2.112 521 R HA -0.178 4.162 4.340 0.000 0.000 0.242 521 R C 2.229 178.501 176.300 -0.046 0.000 1.137 521 R CA 1.666 57.664 56.100 -0.170 0.000 0.944 521 R CB -1.104 29.058 30.300 -0.231 0.000 0.857 521 R HN 0.062 nan 8.270 nan 0.000 0.435 522 V N 0.074 120.065 119.914 0.129 0.000 2.255 522 V HA -0.304 3.816 4.120 0.000 0.000 0.247 522 V C 2.256 178.481 176.094 0.218 0.000 1.051 522 V CA 2.491 64.939 62.300 0.247 0.000 1.018 522 V CB -0.840 31.128 31.823 0.243 0.000 0.641 522 V HN 0.517 nan 8.190 nan 0.000 0.445 523 T N -0.692 113.945 114.554 0.137 0.000 2.588 523 T HA -0.227 4.124 4.350 0.000 0.000 0.261 523 T C 1.958 176.738 174.700 0.133 0.000 1.069 523 T CA 1.718 63.872 62.100 0.089 0.000 1.172 523 T CB -0.372 68.516 68.868 0.033 0.000 0.863 523 T HN 0.646 nan 8.240 nan 0.000 0.408 524 E N -0.499 119.782 120.200 0.136 0.000 2.253 524 E HA -0.234 4.116 4.350 0.000 0.000 0.202 524 E C 1.668 178.452 176.600 0.307 0.000 1.014 524 E CA 1.383 57.890 56.400 0.178 0.000 0.823 524 E CB -0.152 29.645 29.700 0.163 0.000 0.736 524 E HN 0.577 nan 8.360 nan 0.000 0.478 525 Y N -0.420 119.929 120.300 0.082 0.000 2.436 525 Y HA 0.216 4.766 4.550 0.000 0.000 0.288 525 Y C 2.351 178.320 175.900 0.115 0.000 1.112 525 Y CA 0.458 58.623 58.100 0.108 0.000 1.220 525 Y CB -0.633 37.933 38.460 0.178 0.000 1.073 525 Y HN 0.129 nan 8.280 nan 0.000 0.552 526 A N 0.018 123.002 122.820 0.272 0.000 1.940 526 A HA -0.216 4.104 4.320 0.000 0.000 0.219 526 A C 2.222 179.871 177.584 0.108 0.000 1.176 526 A CA 1.966 54.110 52.037 0.178 0.000 0.631 526 A CB -0.527 18.552 19.000 0.132 0.000 0.814 526 A HN 0.462 nan 8.150 nan 0.000 0.446 527 E N -0.234 120.020 120.200 0.090 0.000 2.158 527 E HA -0.159 4.191 4.350 0.000 0.000 0.191 527 E C 1.458 178.077 176.600 0.031 0.000 0.982 527 E CA 0.708 57.138 56.400 0.050 0.000 0.823 527 E CB -0.128 29.595 29.700 0.039 0.000 0.766 527 E HN 0.332 nan 8.360 nan 0.000 0.468 528 K N 0.640 121.057 120.400 0.029 0.000 2.160 528 K HA -0.142 4.179 4.320 0.000 0.000 0.206 528 K C 2.205 178.792 176.600 -0.021 0.000 1.047 528 K CA 0.863 57.133 56.287 -0.028 0.000 0.930 528 K CB -0.211 32.208 32.500 -0.135 0.000 0.720 528 K HN 0.312 nan 8.250 nan 0.000 0.450 529 L N -0.793 120.436 121.223 0.010 0.000 2.130 529 L HA -0.050 4.290 4.340 0.000 0.000 0.200 529 L C 0.280 177.160 176.870 0.015 0.000 1.075 529 L CA 0.543 55.396 54.840 0.021 0.000 0.768 529 L CB -0.050 42.039 42.059 0.050 0.000 0.933 529 L HN 0.254 nan 8.230 nan 0.000 0.451 530 N N -0.544 118.170 118.700 0.023 0.000 4.849 530 N HA 0.100 4.841 4.740 0.000 0.000 0.151 530 N C -1.998 173.534 175.510 0.036 0.000 0.980 530 N CA -0.006 53.051 53.050 0.012 0.000 2.084 530 N CB -0.889 37.594 38.487 -0.006 0.000 1.566 530 N HN 0.025 nan 8.380 nan 0.000 0.853 531 L N 0.764 122.012 121.223 0.043 0.000 2.703 531 L HA 0.439 4.780 4.340 0.000 0.000 0.257 531 L C -0.478 176.417 176.870 0.041 0.000 0.923 531 L CA -0.735 54.139 54.840 0.057 0.000 0.936 531 L CB 0.924 43.027 42.059 0.073 0.000 1.482 531 L HN 0.406 nan 8.230 nan 0.000 0.432 532 C N 1.730 121.052 119.300 0.037 0.000 2.405 532 C HA 0.839 5.299 4.460 0.000 0.000 0.365 532 C C 0.973 175.936 174.990 -0.044 0.000 1.233 532 C CA -0.138 58.879 59.018 -0.002 0.000 2.230 532 C CB 0.876 28.617 27.740 0.003 0.000 2.443 532 C HN 0.941 nan 8.230 nan 0.000 0.556 533 A N 4.621 127.373 122.820 -0.113 0.000 3.095 533 A HA 0.317 4.637 4.320 0.000 0.000 0.301 533 A C 0.384 177.746 177.584 -0.371 0.000 1.432 533 A CA -0.066 51.853 52.037 -0.197 0.000 1.140 533 A CB -0.332 18.585 19.000 -0.138 0.000 1.174 533 A HN 0.906 nan 8.150 nan 0.000 0.546 534 E N 1.071 121.111 120.200 -0.266 0.000 2.409 534 E HA 0.309 4.659 4.350 0.000 0.000 0.257 534 E C -0.469 176.020 176.600 -0.185 0.000 1.150 534 E CA 0.413 56.670 56.400 -0.237 0.000 0.942 534 E CB 0.505 30.222 29.700 0.028 0.000 0.979 534 E HN 0.652 nan 8.360 nan 0.000 0.447 535 Y N -0.208 120.064 120.300 -0.046 0.000 2.801 535 Y HA 0.379 4.929 4.550 0.000 0.000 0.307 535 Y C -0.492 175.390 175.900 -0.030 0.000 1.627 535 Y CA -1.006 57.052 58.100 -0.069 0.000 1.089 535 Y CB -0.564 37.837 38.460 -0.099 0.000 3.076 535 Y HN 0.297 nan 8.280 nan 0.000 0.342 536 K N 0.443 120.909 120.400 0.110 0.000 3.861 536 K HA 0.480 4.800 4.320 0.000 0.000 0.225 536 K C -1.081 175.399 176.600 -0.200 0.000 1.097 536 K CA 0.547 56.815 56.287 -0.033 0.000 1.792 536 K CB -0.247 32.198 32.500 -0.091 0.000 2.642 536 K HN 0.812 nan 8.250 nan 0.000 0.702 537 D N -1.769 118.464 120.400 -0.278 0.000 10.667 537 D HA -0.118 4.522 4.640 0.000 0.000 0.323 537 D C -1.286 174.958 176.300 -0.093 0.000 3.148 537 D CA 0.184 54.022 54.000 -0.270 0.000 2.769 537 D CB 0.091 40.634 40.800 -0.428 0.000 1.233 537 D HN 0.496 nan 8.370 nan 0.000 0.949 538 R N 0.267 120.724 120.500 -0.071 0.000 3.314 538 R HA -0.214 4.126 4.340 0.000 0.000 0.243 538 R C -0.688 175.600 176.300 -0.019 0.000 0.954 538 R CA 2.165 58.248 56.100 -0.030 0.000 0.645 538 R CB -1.555 28.742 30.300 -0.005 0.000 1.022 538 R HN 0.655 nan 8.270 nan 0.000 0.468 539 K N -2.007 118.374 120.400 -0.032 0.000 2.362 539 K HA 0.195 4.516 4.320 0.000 0.000 0.355 539 K C -1.098 175.482 176.600 -0.035 0.000 1.434 539 K CA -0.479 55.795 56.287 -0.021 0.000 1.207 539 K CB 0.647 33.145 32.500 -0.004 0.000 1.428 539 K HN 0.136 nan 8.250 nan 0.000 0.457 540 E N 2.105 122.286 120.200 -0.033 0.000 5.309 540 E HA -0.033 4.318 4.350 0.000 0.000 0.231 540 E C -2.529 174.046 176.600 -0.041 0.000 1.088 540 E CA -0.521 55.857 56.400 -0.036 0.000 1.293 540 E CB -0.281 29.391 29.700 -0.047 0.000 1.008 540 E HN 0.556 nan 8.360 nan 0.000 0.391 541 P HA 0.131 nan 4.420 nan 0.000 0.265 541 P C -0.561 176.722 177.300 -0.029 0.000 1.222 541 P CA 0.632 63.714 63.100 -0.029 0.000 0.767 541 P CB 0.756 32.444 31.700 -0.021 0.000 0.801 542 Q N 1.095 120.875 119.800 -0.034 0.000 3.112 542 Q HA 0.025 4.365 4.340 0.000 0.000 0.320 542 Q C -0.600 175.378 176.000 -0.037 0.000 0.871 542 Q CA -0.394 55.390 55.803 -0.030 0.000 0.857 542 Q CB 0.726 29.448 28.738 -0.027 0.000 1.577 542 Q HN 0.157 nan 8.270 nan 0.000 0.521 543 V N -0.192 119.703 119.914 -0.032 0.000 3.125 543 V HA 0.391 4.512 4.120 0.000 0.000 0.249 543 V C 0.487 176.560 176.094 -0.035 0.000 1.113 543 V CA 1.684 63.964 62.300 -0.034 0.000 1.106 543 V CB 0.533 32.342 31.823 -0.025 0.000 0.768 543 V HN 0.658 nan 8.190 nan 0.000 0.468 544 A N 1.521 124.323 122.820 -0.029 0.000 3.004 544 A HA 0.332 4.652 4.320 0.000 0.000 0.286 544 A C 0.354 177.915 177.584 -0.038 0.000 1.632 544 A CA -0.226 51.796 52.037 -0.024 0.000 1.339 544 A CB -0.807 18.187 19.000 -0.011 0.000 1.136 544 A HN 0.537 nan 8.150 nan 0.000 0.577 545 K N 1.834 122.195 120.400 -0.065 0.000 2.363 545 K HA 0.146 4.466 4.320 0.000 0.000 0.289 545 K C 0.039 176.586 176.600 -0.089 0.000 1.063 545 K CA 0.147 56.372 56.287 -0.103 0.000 0.967 545 K CB 0.297 32.683 32.500 -0.190 0.000 0.987 545 K HN 0.567 nan 8.250 nan 0.000 0.473 546 T N 2.173 116.688 114.554 -0.066 0.000 2.946 546 T HA 0.072 4.422 4.350 0.000 0.000 0.311 546 T C 0.057 174.707 174.700 -0.082 0.000 1.063 546 T CA -0.204 61.863 62.100 -0.055 0.000 1.139 546 T CB 0.530 69.383 68.868 -0.025 0.000 0.994 546 T HN 0.152 nan 8.240 nan 0.000 0.547 547 V N 4.665 124.483 119.914 -0.161 0.000 2.709 547 V HA 0.447 4.567 4.120 0.000 0.000 0.308 547 V C -0.244 175.653 176.094 -0.327 0.000 1.062 547 V CA -1.085 61.092 62.300 -0.205 0.000 0.901 547 V CB 2.140 33.751 31.823 -0.355 0.000 1.003 547 V HN 0.816 nan 8.190 nan 0.000 0.425 548 N N 3.500 122.023 118.700 -0.296 0.000 2.321 548 N HA 0.644 5.384 4.740 0.000 0.000 0.299 548 N C -1.589 173.559 175.510 -0.602 0.000 1.048 548 N CA -0.534 52.241 53.050 -0.457 0.000 0.836 548 N CB 2.747 40.930 38.487 -0.506 0.000 1.269 548 N HN 0.335 nan 8.380 nan 0.000 0.486 549 L N 3.249 124.172 121.223 -0.500 0.000 2.316 549 L HA 0.424 4.764 4.340 0.000 0.000 0.280 549 L C -0.705 176.011 176.870 -0.257 0.000 1.006 549 L CA -0.501 54.158 54.840 -0.302 0.000 0.836 549 L CB 0.179 42.234 42.059 -0.007 0.000 1.221 549 L HN 0.417 nan 8.230 nan 0.000 0.418 550 Y N 0.136 120.447 120.300 0.019 0.000 2.545 550 Y HA 0.358 4.908 4.550 0.000 0.000 0.324 550 Y C 1.412 177.323 175.900 0.018 0.000 1.220 550 Y CA -1.023 57.085 58.100 0.012 0.000 1.290 550 Y CB 1.167 39.624 38.460 -0.006 0.000 1.355 550 Y HN 0.464 nan 8.280 nan 0.000 0.516 551 S N -0.072 115.752 115.700 0.206 0.000 2.605 551 S HA 0.091 4.561 4.470 0.000 0.000 0.217 551 S C 0.656 175.299 174.600 0.071 0.000 0.958 551 S CA -0.214 58.050 58.200 0.107 0.000 0.919 551 S CB -0.582 62.665 63.200 0.079 0.000 0.780 551 S HN 0.573 nan 8.310 nan 0.000 0.507 567 N N 4.195 122.958 118.700 0.105 0.000 2.386 567 N HA -0.012 4.729 4.740 0.000 0.000 0.273 567 N C -1.440 174.150 175.510 0.134 0.000 1.331 567 N CA -0.122 52.998 53.050 0.117 0.000 0.891 567 N CB 0.361 38.928 38.487 0.134 0.000 1.139 567 N HN 0.240 nan 8.380 nan 0.000 0.487 568 P HA -0.257 nan 4.420 nan 0.000 0.220 568 P C 1.316 178.671 177.300 0.090 0.000 1.146 568 P CA 0.758 63.912 63.100 0.090 0.000 0.816 568 P CB 0.349 32.088 31.700 0.065 0.000 0.764 569 L N -1.178 120.102 121.223 0.095 0.000 2.049 569 L HA 0.042 4.382 4.340 0.000 0.000 0.203 569 L C 2.389 179.260 176.870 0.001 0.000 1.074 569 L CA 1.544 56.414 54.840 0.050 0.000 0.749 569 L CB -1.535 40.573 42.059 0.081 0.000 0.907 569 L HN -0.015 nan 8.230 nan 0.000 0.439 570 W N 0.326 121.559 121.300 -0.112 0.000 2.525 570 W HA -0.146 4.514 4.660 0.000 0.000 0.259 570 W C 1.476 177.943 176.519 -0.087 0.000 1.253 570 W CA 1.098 58.344 57.345 -0.165 0.000 1.262 570 W CB 0.057 29.445 29.460 -0.120 0.000 1.122 570 W HN 0.311 nan 8.180 nan 0.000 0.607 571 D N 0.161 120.624 120.400 0.105 0.000 2.149 571 D HA -0.077 4.563 4.640 0.000 0.000 0.201 571 D C 2.330 178.679 176.300 0.082 0.000 0.972 571 D CA 1.599 55.667 54.000 0.114 0.000 0.835 571 D CB -0.341 40.548 40.800 0.149 0.000 0.966 571 D HN 0.120 nan 8.370 nan 0.000 0.476 572 A N 0.751 123.574 122.820 0.005 0.000 1.872 572 A HA -0.052 4.268 4.320 0.000 0.000 0.214 572 A C 2.299 179.713 177.584 -0.284 0.000 1.187 572 A CA 0.517 52.458 52.037 -0.160 0.000 0.614 572 A CB -0.692 18.238 19.000 -0.118 0.000 0.826 572 A HN 0.184 nan 8.150 nan 0.000 0.442 573 I N -0.077 120.256 120.570 -0.395 0.000 2.479 573 I HA -0.253 3.918 4.170 0.000 0.000 0.258 573 I C 1.859 177.745 176.117 -0.385 0.000 1.165 573 I CA 1.179 62.180 61.300 -0.499 0.000 1.422 573 I CB -0.216 37.090 38.000 -1.157 0.000 1.087 573 I HN 0.188 nan 8.210 nan 0.000 0.441 574 V N -0.205 119.470 119.914 -0.399 0.000 2.806 574 V HA 0.133 4.254 4.120 0.000 0.000 0.239 574 V C 2.475 178.474 176.094 -0.158 0.000 1.113 574 V CA 1.202 63.343 62.300 -0.266 0.000 1.137 574 V CB -0.717 30.966 31.823 -0.232 0.000 0.865 574 V HN 0.418 nan 8.190 nan 0.000 0.482 575 G N 1.005 109.721 108.800 -0.141 0.000 2.545 575 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 575 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 575 G C 1.435 176.148 174.900 -0.312 0.000 1.218 575 G CA 1.266 46.314 45.100 -0.087 0.000 0.787 575 G HN 0.464 nan 8.290 nan 0.000 0.571 576 L N 1.075 121.942 121.223 -0.594 0.000 2.552 576 L HA 0.248 4.588 4.340 0.000 0.000 0.227 576 L C 1.745 178.454 176.870 -0.268 0.000 1.146 576 L CA 0.278 54.852 54.840 -0.443 0.000 0.858 576 L CB -0.527 41.373 42.059 -0.265 0.000 0.969 576 L HN 0.405 nan 8.230 nan 0.000 0.451 577 G N 0.259 108.963 108.800 -0.161 0.000 2.351 577 G HA2 -0.298 3.662 3.960 0.000 0.000 0.297 577 G HA3 -0.298 3.662 3.960 0.000 0.000 0.297 577 G C 0.034 174.855 174.900 -0.133 0.000 1.054 577 G CA -0.217 44.804 45.100 -0.132 0.000 1.123 577 G HN 0.290 nan 8.290 nan 0.000 0.512 578 F N -0.552 119.351 119.950 -0.079 0.000 2.663 578 F HA 0.467 4.995 4.527 0.000 0.000 0.299 578 F C 1.164 177.056 175.800 0.153 0.000 1.143 578 F CA -0.141 57.892 58.000 0.055 0.000 1.387 578 F CB 0.770 39.852 39.000 0.136 0.000 1.019 578 F HN 0.292 nan 8.300 nan 0.000 0.523 579 L N 0.856 122.163 121.223 0.141 0.000 2.508 579 L HA 0.231 4.571 4.340 0.000 0.000 0.276 579 L C -0.218 176.668 176.870 0.026 0.000 1.456 579 L CA -0.386 54.526 54.840 0.119 0.000 0.693 579 L CB 0.050 42.128 42.059 0.030 0.000 0.965 579 L HN -0.106 nan 8.230 nan 0.000 0.517 580 K N 2.286 122.689 120.400 0.005 0.000 2.382 580 K HA 0.108 4.428 4.320 0.000 0.000 0.286 580 K C -0.629 175.970 176.600 -0.001 0.000 1.062 580 K CA 0.099 56.377 56.287 -0.015 0.000 1.000 580 K CB 0.177 32.656 32.500 -0.034 0.000 0.954 580 K HN 0.474 nan 8.250 nan 0.000 0.470 581 D N 4.211 124.617 120.400 0.010 0.000 3.478 581 D HA -0.218 4.422 4.640 0.000 0.000 0.219 581 D C 0.876 177.191 176.300 0.025 0.000 1.143 581 D CA 1.499 55.511 54.000 0.021 0.000 1.047 581 D CB -0.876 39.931 40.800 0.012 0.000 0.820 581 D HN 1.028 nan 8.370 nan 0.000 0.393 582 G N -0.269 108.561 108.800 0.049 0.000 4.039 582 G HA2 -0.349 3.611 3.960 0.000 0.000 0.220 582 G HA3 -0.349 3.611 3.960 0.000 0.000 0.220 582 G C 0.465 175.379 174.900 0.024 0.000 1.391 582 G CA 1.139 46.268 45.100 0.050 0.000 0.920 582 G HN 1.374 nan 8.290 nan 0.000 0.599 583 V N -0.681 119.207 119.914 -0.042 0.000 2.716 583 V HA 0.764 4.885 4.120 0.000 0.000 0.304 583 V C 0.838 176.848 176.094 -0.140 0.000 1.053 583 V CA -0.745 61.447 62.300 -0.180 0.000 0.984 583 V CB 1.383 33.051 31.823 -0.258 0.000 1.021 583 V HN 0.599 nan 8.190 nan 0.000 0.467 584 K N 2.155 122.410 120.400 -0.241 0.000 2.229 584 K HA 0.225 4.545 4.320 0.000 0.000 0.250 584 K C -0.104 176.482 176.600 -0.023 0.000 1.016 584 K CA 0.509 56.758 56.287 -0.062 0.000 0.866 584 K CB 0.055 32.461 32.500 -0.156 0.000 1.028 584 K HN 1.003 nan 8.250 nan 0.000 0.514 585 N N -0.461 118.278 118.700 0.065 0.000 2.815 585 N HA 0.164 4.905 4.740 0.000 0.000 0.253 585 N C -1.834 173.675 175.510 -0.003 0.000 1.202 585 N CA -0.535 52.524 53.050 0.015 0.000 0.925 585 N CB 0.911 39.384 38.487 -0.024 0.000 1.622 585 N HN 0.290 nan 8.380 nan 0.000 0.497 586 I N 2.959 123.495 120.570 -0.057 0.000 2.315 586 I HA 0.391 4.561 4.170 0.000 0.000 0.291 586 I C -2.045 173.918 176.117 -0.257 0.000 1.006 586 I CA -1.929 59.281 61.300 -0.149 0.000 1.265 586 I CB 0.964 38.912 38.000 -0.086 0.000 1.387 586 I HN 0.526 nan 8.210 nan 0.000 0.475 587 P HA 0.107 nan 4.420 nan 0.000 0.275 587 P C 0.679 177.775 177.300 -0.341 0.000 1.227 587 P CA -0.129 62.765 63.100 -0.344 0.000 0.781 587 P CB 0.710 32.178 31.700 -0.386 0.000 0.906 588 S N 2.104 117.698 115.700 -0.177 0.000 2.496 588 S HA -0.104 4.366 4.470 0.000 0.000 0.224 588 S C 1.575 176.070 174.600 -0.176 0.000 0.996 588 S CA 0.140 58.239 58.200 -0.168 0.000 0.927 588 S CB -1.250 61.900 63.200 -0.083 0.000 0.774 588 S HN 0.509 nan 8.310 nan 0.000 0.524 589 F N 1.245 121.071 119.950 -0.206 0.000 2.333 589 F HA 0.208 4.735 4.527 0.000 0.000 0.300 589 F C 1.633 177.338 175.800 -0.157 0.000 1.083 589 F CA 0.206 58.100 58.000 -0.177 0.000 1.395 589 F CB -0.521 38.304 39.000 -0.292 0.000 1.056 589 F HN 0.238 nan 8.300 nan 0.000 0.529 590 L N 0.657 121.092 121.223 -1.313 0.000 2.201 590 L HA -0.065 4.275 4.340 0.000 0.000 0.212 590 L C 2.356 178.938 176.870 -0.481 0.000 1.105 590 L CA 1.425 55.601 54.840 -1.107 0.000 0.775 590 L CB -1.183 40.195 42.059 -1.136 0.000 0.913 590 L HN 0.217 nan 8.230 nan 0.000 0.440 591 S N -0.963 114.539 115.700 -0.331 0.000 2.370 591 S HA -0.179 4.291 4.470 0.000 0.000 0.226 591 S C 1.605 176.150 174.600 -0.092 0.000 1.033 591 S CA 1.800 59.902 58.200 -0.163 0.000 1.011 591 S CB -0.543 62.592 63.200 -0.109 0.000 0.852 591 S HN 0.754 nan 8.310 nan 0.000 0.457 592 T N -1.177 113.336 114.554 -0.069 0.000 3.134 592 T HA 0.212 4.563 4.350 0.000 0.000 0.260 592 T C 0.151 174.818 174.700 -0.054 0.000 1.027 592 T CA -0.437 61.662 62.100 -0.002 0.000 0.913 592 T CB 0.068 68.998 68.868 0.103 0.000 1.046 592 T HN 0.021 nan 8.240 nan 0.000 0.553 593 D N 2.367 122.717 120.400 -0.084 0.000 2.414 593 D HA 0.069 4.709 4.640 0.000 0.000 0.251 593 D C 0.185 176.447 176.300 -0.064 0.000 1.252 593 D CA -0.422 53.553 54.000 -0.042 0.000 0.999 593 D CB 0.578 41.347 40.800 -0.050 0.000 1.093 593 D HN 0.261 nan 8.370 nan 0.000 0.515 594 N N 1.457 120.147 118.700 -0.017 0.000 2.414 594 N HA -0.088 4.652 4.740 0.000 0.000 0.268 594 N C 1.585 177.073 175.510 -0.037 0.000 1.286 594 N CA -0.059 52.974 53.050 -0.027 0.000 0.896 594 N CB 0.294 38.795 38.487 0.024 0.000 1.093 594 N HN 0.421 nan 8.380 nan 0.000 0.480 595 I N 3.902 124.451 120.570 -0.035 0.000 2.195 595 I HA -0.405 3.765 4.170 0.000 0.000 0.232 595 I C 2.375 178.493 176.117 0.002 0.000 0.986 595 I CA 2.155 63.446 61.300 -0.015 0.000 1.283 595 I CB -0.784 37.213 38.000 -0.005 0.000 0.990 595 I HN 0.764 nan 8.210 nan 0.000 0.390 596 G N -0.603 108.208 108.800 0.018 0.000 2.596 596 G HA2 -0.337 3.623 3.960 0.000 0.000 0.223 596 G HA3 -0.337 3.623 3.960 0.000 0.000 0.223 596 G C 1.504 176.420 174.900 0.026 0.000 1.120 596 G CA 1.846 46.968 45.100 0.038 0.000 0.752 596 G HN 0.439 nan 8.290 nan 0.000 0.596 597 T N -0.064 114.478 114.554 -0.020 0.000 2.821 597 T HA -0.015 4.335 4.350 0.000 0.000 0.267 597 T C 2.421 177.073 174.700 -0.080 0.000 1.046 597 T CA 1.013 63.048 62.100 -0.109 0.000 1.139 597 T CB -0.084 68.621 68.868 -0.273 0.000 0.871 597 T HN 0.282 nan 8.240 nan 0.000 0.454 598 R N 0.980 121.444 120.500 -0.060 0.000 2.070 598 R HA -0.096 4.244 4.340 0.000 0.000 0.232 598 R C 2.601 178.947 176.300 0.075 0.000 1.138 598 R CA 1.698 57.788 56.100 -0.016 0.000 0.936 598 R CB -0.188 30.093 30.300 -0.032 0.000 0.839 598 R HN 0.566 nan 8.270 nan 0.000 0.429 599 E N -0.581 119.655 120.200 0.061 0.000 2.051 599 E HA -0.163 4.187 4.350 0.000 0.000 0.192 599 E C 2.012 178.667 176.600 0.090 0.000 0.991 599 E CA 1.653 58.097 56.400 0.072 0.000 0.799 599 E CB -0.232 29.510 29.700 0.069 0.000 0.748 599 E HN 0.274 nan 8.360 nan 0.000 0.449 600 T N 1.185 115.801 114.554 0.104 0.000 2.720 600 T HA -0.176 4.174 4.350 0.000 0.000 0.268 600 T C 1.494 176.308 174.700 0.189 0.000 1.037 600 T CA 1.292 63.481 62.100 0.150 0.000 1.144 600 T CB -0.387 68.573 68.868 0.153 0.000 0.864 600 T HN 0.199 nan 8.240 nan 0.000 0.444 601 F N 1.380 121.342 119.950 0.019 0.000 2.134 601 F HA 0.008 4.535 4.527 0.000 0.000 0.299 601 F C 1.959 177.769 175.800 0.017 0.000 1.097 601 F CA 0.939 58.941 58.000 0.004 0.000 1.264 601 F CB -0.515 38.454 39.000 -0.051 0.000 1.001 601 F HN 0.050 nan 8.300 nan 0.000 0.479 602 L N 0.119 121.341 121.223 -0.002 0.000 2.012 602 L HA -0.263 4.077 4.340 0.000 0.000 0.210 602 L C 2.845 179.624 176.870 -0.152 0.000 1.073 602 L CA 1.449 56.225 54.840 -0.108 0.000 0.748 602 L CB -1.094 40.981 42.059 0.027 0.000 0.891 602 L HN 0.332 nan 8.230 nan 0.000 0.431 603 A N 0.036 122.844 122.820 -0.019 0.000 1.884 603 A HA -0.244 4.076 4.320 0.000 0.000 0.219 603 A C 2.314 179.924 177.584 0.044 0.000 1.197 603 A CA 2.128 54.201 52.037 0.060 0.000 0.637 603 A CB -1.482 17.613 19.000 0.159 0.000 0.827 603 A HN 0.516 nan 8.150 nan 0.000 0.450 604 G N -0.211 108.568 108.800 -0.035 0.000 2.480 604 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 604 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 604 G C 1.477 176.124 174.900 -0.422 0.000 1.200 604 G CA 1.337 46.169 45.100 -0.447 0.000 0.782 604 G HN 0.658 nan 8.290 nan 0.000 0.554 605 L N 0.848 121.765 121.223 -0.511 0.000 2.089 605 L HA -0.071 4.269 4.340 0.000 0.000 0.213 605 L C 2.612 179.341 176.870 -0.236 0.000 1.079 605 L CA 1.441 56.036 54.840 -0.409 0.000 0.758 605 L CB -0.508 41.270 42.059 -0.468 0.000 0.891 605 L HN 0.342 nan 8.230 nan 0.000 0.433 606 I N -0.835 119.628 120.570 -0.178 0.000 2.162 606 I HA -0.243 3.927 4.170 0.000 0.000 0.238 606 I C 2.213 178.291 176.117 -0.066 0.000 1.076 606 I CA 1.391 62.628 61.300 -0.105 0.000 1.353 606 I CB -0.536 37.419 38.000 -0.076 0.000 1.063 606 I HN 0.220 nan 8.210 nan 0.000 0.408 607 D N 0.691 121.066 120.400 -0.041 0.000 2.172 607 D HA -0.188 4.452 4.640 0.000 0.000 0.196 607 D C 2.312 178.588 176.300 -0.040 0.000 0.999 607 D CA 1.922 55.923 54.000 0.002 0.000 0.856 607 D CB -0.030 40.814 40.800 0.074 0.000 0.934 607 D HN 0.416 nan 8.370 nan 0.000 0.453 608 S N 0.679 116.310 115.700 -0.116 0.000 2.336 608 S HA -0.153 4.317 4.470 0.000 0.000 0.214 608 S C 1.219 175.786 174.600 -0.054 0.000 1.032 608 S CA 1.522 59.658 58.200 -0.107 0.000 1.001 608 S CB -0.090 62.995 63.200 -0.191 0.000 0.953 608 S HN 0.275 nan 8.310 nan 0.000 0.430 609 D N 0.611 120.974 120.400 -0.062 0.000 2.636 609 D HA 0.316 4.956 4.640 0.000 0.000 0.270 609 D C 0.463 176.774 176.300 0.018 0.000 1.430 609 D CA -0.089 53.899 54.000 -0.019 0.000 0.796 609 D CB -0.166 40.612 40.800 -0.037 0.000 1.117 609 D HN 0.488 nan 8.370 nan 0.000 0.480 610 G N 0.069 108.868 108.800 -0.001 0.000 2.531 610 G HA2 0.583 4.543 3.960 0.000 0.000 0.313 610 G HA3 0.583 4.543 3.960 0.000 0.000 0.313 610 G C -1.126 173.837 174.900 0.104 0.000 1.238 610 G CA -0.912 44.181 45.100 -0.011 0.000 0.994 610 G HN 0.270 nan 8.290 nan 0.000 0.493 611 Y N -2.683 117.596 120.300 -0.036 0.000 2.519 611 Y HA 0.641 5.191 4.550 0.000 0.000 0.336 611 Y C -1.128 174.770 175.900 -0.004 0.000 1.089 611 Y CA -1.559 56.532 58.100 -0.015 0.000 1.025 611 Y CB 1.350 39.805 38.460 -0.009 0.000 1.318 611 Y HN 0.397 nan 8.280 nan 0.000 0.452 612 V N 2.907 122.869 119.914 0.080 0.000 2.417 612 V HA 0.690 4.810 4.120 0.000 0.000 0.291 612 V C -0.214 175.933 176.094 0.087 0.000 1.024 612 V CA -0.245 62.062 62.300 0.011 0.000 0.861 612 V CB 1.523 33.343 31.823 -0.006 0.000 0.985 612 V HN 0.990 nan 8.190 nan 0.000 0.436 613 T N -0.371 114.225 114.554 0.070 0.000 2.863 613 T HA 0.607 4.957 4.350 0.000 0.000 0.285 613 T C -0.307 174.416 174.700 0.039 0.000 1.009 613 T CA -0.698 61.458 62.100 0.092 0.000 0.989 613 T CB 1.913 70.869 68.868 0.148 0.000 1.004 613 T HN 0.694 nan 8.240 nan 0.000 0.455 614 D N 0.110 120.522 120.400 0.019 0.000 2.501 614 D HA 0.158 4.799 4.640 0.000 0.000 0.224 614 D C 1.164 177.434 176.300 -0.049 0.000 1.202 614 D CA -0.512 53.480 54.000 -0.014 0.000 0.829 614 D CB 0.204 40.989 40.800 -0.026 0.000 1.023 614 D HN 0.674 nan 8.370 nan 0.000 0.499 615 E N 0.661 120.833 120.200 -0.046 0.000 2.026 615 E HA -0.205 4.145 4.350 0.000 0.000 0.206 615 E C 0.518 176.872 176.600 -0.411 0.000 1.028 615 E CA 1.157 57.455 56.400 -0.170 0.000 0.845 615 E CB -0.142 29.547 29.700 -0.018 0.000 0.772 615 E HN 0.515 nan 8.360 nan 0.000 0.462 616 H N -0.630 118.436 119.070 -0.007 0.000 2.490 616 H HA 0.405 4.961 4.556 0.000 0.000 0.285 616 H C 0.256 175.575 175.328 -0.015 0.000 1.127 616 H CA 0.513 56.554 56.048 -0.012 0.000 0.993 616 H CB 0.670 30.422 29.762 -0.016 0.000 1.653 616 H HN 0.286 nan 8.280 nan 0.000 0.557 617 G N 0.779 109.577 108.800 -0.003 0.000 2.406 617 G HA2 -0.132 3.828 3.960 0.000 0.000 0.680 617 G HA3 -0.132 3.828 3.960 0.000 0.000 0.680 617 G C -1.029 173.866 174.900 -0.009 0.000 1.338 617 G CA -1.026 44.071 45.100 -0.005 0.000 0.941 617 G HN 0.174 nan 8.290 nan 0.000 0.633 618 I N 0.774 121.328 120.570 -0.027 0.000 2.754 618 I HA 0.632 4.802 4.170 0.000 0.000 0.285 618 I C 0.477 176.581 176.117 -0.022 0.000 1.166 618 I CA 0.406 61.685 61.300 -0.034 0.000 1.417 618 I CB 0.657 38.620 38.000 -0.062 0.000 1.382 618 I HN 0.975 nan 8.210 nan 0.000 0.588 619 K N 5.725 126.112 120.400 -0.021 0.000 2.600 619 K HA 0.758 5.078 4.320 0.000 0.000 0.262 619 K C -2.188 174.384 176.600 -0.047 0.000 0.935 619 K CA -0.793 55.486 56.287 -0.014 0.000 0.866 619 K CB 0.579 33.094 32.500 0.025 0.000 1.354 619 K HN 0.613 nan 8.250 nan 0.000 0.419 620 A N 2.103 124.876 122.820 -0.079 0.000 2.331 620 A HA 0.709 5.030 4.320 0.000 0.000 0.320 620 A C -0.765 176.666 177.584 -0.255 0.000 1.138 620 A CA -0.655 51.280 52.037 -0.170 0.000 0.790 620 A CB 1.479 20.398 19.000 -0.135 0.000 1.206 620 A HN 0.643 nan 8.150 nan 0.000 0.470 621 T N 2.603 116.842 114.554 -0.524 0.000 2.859 621 T HA 0.669 5.019 4.350 0.000 0.000 0.281 621 T C -0.196 174.191 174.700 -0.523 0.000 1.005 621 T CA -0.047 61.660 62.100 -0.655 0.000 1.025 621 T CB 0.795 69.032 68.868 -1.052 0.000 0.977 621 T HN 0.475 nan 8.240 nan 0.000 0.458 622 I N 1.815 122.178 120.570 -0.344 0.000 2.892 622 I HA 0.536 4.706 4.170 0.000 0.000 0.306 622 I C -0.477 175.556 176.117 -0.139 0.000 1.078 622 I CA -1.253 59.933 61.300 -0.190 0.000 1.032 622 I CB 2.139 40.049 38.000 -0.151 0.000 1.229 622 I HN 0.233 nan 8.210 nan 0.000 0.435 623 K N 1.767 122.125 120.400 -0.071 0.000 2.385 623 K HA 0.773 5.094 4.320 0.000 0.000 0.248 623 K C -0.881 175.684 176.600 -0.058 0.000 0.955 623 K CA -0.641 55.618 56.287 -0.045 0.000 0.816 623 K CB 2.429 34.925 32.500 -0.007 0.000 1.250 623 K HN 0.687 nan 8.250 nan 0.000 0.434 624 T N 0.302 114.828 114.554 -0.047 0.000 2.786 624 T HA 0.476 4.826 4.350 0.000 0.000 0.316 624 T C -0.322 174.315 174.700 -0.105 0.000 1.503 624 T CA -0.386 61.646 62.100 -0.113 0.000 1.019 624 T CB 0.863 69.670 68.868 -0.103 0.000 1.415 624 T HN 0.340 nan 8.240 nan 0.000 0.496 625 I N 0.555 120.928 120.570 -0.329 0.000 3.812 625 I HA 0.271 4.442 4.170 0.000 0.000 0.292 625 I C 0.373 176.339 176.117 -0.251 0.000 1.206 625 I CA -0.078 61.087 61.300 -0.226 0.000 1.370 625 I CB -0.076 37.705 38.000 -0.365 0.000 1.328 625 I HN 0.602 nan 8.210 nan 0.000 0.453 626 H N 2.378 121.401 119.070 -0.078 0.000 3.145 626 H HA 0.128 4.684 4.556 0.000 0.000 0.263 626 H C 1.466 176.652 175.328 -0.235 0.000 1.057 626 H CA 0.670 56.647 56.048 -0.118 0.000 1.477 626 H CB -0.007 29.709 29.762 -0.076 0.000 1.529 626 H HN 0.264 nan 8.280 nan 0.000 0.508 627 T N -0.309 114.101 114.554 -0.239 0.000 2.881 627 T HA -0.205 4.146 4.350 0.000 0.000 0.270 627 T C 1.975 176.568 174.700 -0.179 0.000 1.068 627 T CA 1.061 62.930 62.100 -0.384 0.000 1.131 627 T CB -0.266 68.389 68.868 -0.355 0.000 0.871 627 T HN 0.526 nan 8.240 nan 0.000 0.479 628 S N 0.848 116.500 115.700 -0.079 0.000 2.493 628 S HA -0.027 4.443 4.470 0.000 0.000 0.243 628 S C 1.723 176.296 174.600 -0.045 0.000 0.991 628 S CA 0.760 58.929 58.200 -0.051 0.000 0.957 628 S CB -0.668 62.515 63.200 -0.029 0.000 0.756 628 S HN 0.504 nan 8.310 nan 0.000 0.521 629 V N 1.050 120.941 119.914 -0.039 0.000 2.806 629 V HA 0.163 4.283 4.120 0.000 0.000 0.239 629 V C 2.531 178.589 176.094 -0.061 0.000 1.113 629 V CA 0.601 62.890 62.300 -0.019 0.000 1.137 629 V CB -0.696 31.146 31.823 0.033 0.000 0.865 629 V HN 0.411 nan 8.190 nan 0.000 0.482 630 R N 1.282 121.705 120.500 -0.128 0.000 2.148 630 R HA -0.276 4.064 4.340 0.000 0.000 0.230 630 R C 1.931 178.171 176.300 -0.100 0.000 1.120 630 R CA 2.767 58.782 56.100 -0.142 0.000 0.902 630 R CB -0.818 29.307 30.300 -0.293 0.000 0.839 630 R HN 0.468 nan 8.270 nan 0.000 0.431 631 D N -0.593 119.736 120.400 -0.117 0.000 2.239 631 D HA -0.156 4.484 4.640 0.000 0.000 0.202 631 D C 1.724 177.979 176.300 -0.076 0.000 0.993 631 D CA 1.577 55.525 54.000 -0.086 0.000 0.874 631 D CB -0.558 40.192 40.800 -0.083 0.000 0.922 631 D HN 0.649 nan 8.370 nan 0.000 0.464 632 G N 0.890 109.646 108.800 -0.074 0.000 2.404 632 G HA2 -0.180 3.780 3.960 0.000 0.000 0.215 632 G HA3 -0.180 3.780 3.960 0.000 0.000 0.215 632 G C 1.616 176.481 174.900 -0.057 0.000 1.174 632 G CA 0.713 45.768 45.100 -0.076 0.000 0.780 632 G HN 0.310 nan 8.290 nan 0.000 0.537 633 L N 1.108 122.316 121.223 -0.025 0.000 2.056 633 L HA 0.069 4.409 4.340 0.000 0.000 0.207 633 L C 2.644 179.501 176.870 -0.023 0.000 1.078 633 L CA 1.438 56.279 54.840 0.002 0.000 0.749 633 L CB -0.716 41.346 42.059 0.005 0.000 0.901 633 L HN 0.033 nan 8.230 nan 0.000 0.433 634 V N -0.482 119.407 119.914 -0.041 0.000 2.794 634 V HA -0.237 3.883 4.120 0.000 0.000 0.260 634 V C 2.612 178.667 176.094 -0.066 0.000 1.103 634 V CA 1.775 64.044 62.300 -0.052 0.000 1.125 634 V CB -0.967 30.821 31.823 -0.058 0.000 0.702 634 V HN 0.677 nan 8.190 nan 0.000 0.494 635 S N -1.067 114.595 115.700 -0.063 0.000 2.545 635 S HA 0.098 4.568 4.470 0.000 0.000 0.232 635 S C 1.604 176.173 174.600 -0.051 0.000 1.070 635 S CA 0.277 58.436 58.200 -0.067 0.000 0.923 635 S CB 0.080 63.234 63.200 -0.077 0.000 0.806 635 S HN 0.431 nan 8.310 nan 0.000 0.506 636 L N 2.282 123.472 121.223 -0.054 0.000 2.191 636 L HA 0.214 4.554 4.340 0.000 0.000 0.212 636 L C 2.156 179.023 176.870 -0.004 0.000 1.103 636 L CA 1.891 56.702 54.840 -0.049 0.000 0.769 636 L CB -0.861 41.175 42.059 -0.038 0.000 0.908 636 L HN 0.306 nan 8.230 nan 0.000 0.438 637 A N 0.035 122.857 122.820 0.003 0.000 1.825 637 A HA -0.181 4.139 4.320 0.000 0.000 0.214 637 A C 2.390 179.999 177.584 0.042 0.000 1.206 637 A CA 1.708 53.757 52.037 0.019 0.000 0.609 637 A CB -0.633 18.371 19.000 0.006 0.000 0.851 637 A HN 0.458 nan 8.150 nan 0.000 0.445 638 R N 0.424 120.946 120.500 0.036 0.000 2.103 638 R HA -0.168 4.172 4.340 0.000 0.000 0.242 638 R C 2.542 178.918 176.300 0.127 0.000 1.142 638 R CA 1.794 57.964 56.100 0.116 0.000 0.960 638 R CB -0.713 29.598 30.300 0.019 0.000 0.858 638 R HN 0.755 nan 8.270 nan 0.000 0.439 639 S N 1.120 116.854 115.700 0.057 0.000 2.413 639 S HA -0.197 4.273 4.470 0.000 0.000 0.237 639 S C 1.976 176.608 174.600 0.054 0.000 1.044 639 S CA 1.353 59.580 58.200 0.045 0.000 1.024 639 S CB -0.494 62.706 63.200 -0.000 0.000 0.829 639 S HN 0.290 nan 8.310 nan 0.000 0.475 640 L N 0.369 121.627 121.223 0.059 0.000 2.162 640 L HA 0.289 4.629 4.340 0.000 0.000 0.205 640 L C 2.249 179.168 176.870 0.081 0.000 1.086 640 L CA 0.799 55.679 54.840 0.066 0.000 0.778 640 L CB -0.372 41.727 42.059 0.068 0.000 0.928 640 L HN 0.658 nan 8.230 nan 0.000 0.446 641 G N -1.050 107.806 108.800 0.093 0.000 2.273 641 G HA2 -0.139 3.821 3.960 0.000 0.000 0.162 641 G HA3 -0.139 3.821 3.960 0.000 0.000 0.162 641 G C 0.191 175.142 174.900 0.086 0.000 1.006 641 G CA -0.590 44.553 45.100 0.072 0.000 0.704 641 G HN 0.055 nan 8.290 nan 0.000 0.487 642 L N 1.075 122.359 121.223 0.101 0.000 2.476 642 L HA 0.487 4.827 4.340 0.000 0.000 0.264 642 L C 0.858 177.814 176.870 0.144 0.000 1.224 642 L CA -0.492 54.401 54.840 0.087 0.000 0.821 642 L CB 0.771 42.865 42.059 0.059 0.000 1.101 642 L HN -0.069 nan 8.230 nan 0.000 0.488 643 V N 2.072 122.055 119.914 0.115 0.000 2.472 643 V HA 0.487 4.607 4.120 0.000 0.000 0.290 643 V C 0.075 176.223 176.094 0.090 0.000 1.037 643 V CA -0.452 61.935 62.300 0.146 0.000 0.908 643 V CB 1.804 33.689 31.823 0.104 0.000 0.985 643 V HN 0.463 nan 8.190 nan 0.000 0.454 644 V N 3.035 122.985 119.914 0.060 0.000 3.007 644 V HA 0.889 5.009 4.120 0.000 0.000 0.311 644 V C -0.340 175.777 176.094 0.038 0.000 1.120 644 V CA -0.521 61.801 62.300 0.037 0.000 0.980 644 V CB 2.286 34.107 31.823 -0.003 0.000 1.033 644 V HN 1.003 nan 8.190 nan 0.000 0.429 645 S N 1.356 117.111 115.700 0.091 0.000 2.537 645 S HA 0.877 5.347 4.470 0.000 0.000 0.270 645 S C -1.481 173.228 174.600 0.182 0.000 1.142 645 S CA -0.653 57.618 58.200 0.118 0.000 0.870 645 S CB 1.961 65.236 63.200 0.125 0.000 1.112 645 S HN 0.672 nan 8.310 nan 0.000 0.466 646 V N 2.186 122.189 119.914 0.149 0.000 2.735 646 V HA 0.626 4.746 4.120 0.000 0.000 0.310 646 V C -0.357 175.837 176.094 0.168 0.000 1.061 646 V CA -0.744 61.646 62.300 0.150 0.000 0.913 646 V CB 1.785 33.681 31.823 0.121 0.000 1.005 646 V HN 1.013 nan 8.190 nan 0.000 0.428 647 N N 1.299 120.100 118.700 0.168 0.000 2.295 647 N HA 0.716 5.457 4.740 0.000 0.000 0.293 647 N C -0.846 174.657 175.510 -0.010 0.000 1.040 647 N CA -0.434 52.694 53.050 0.129 0.000 0.840 647 N CB 1.982 40.648 38.487 0.298 0.000 1.468 647 N HN 0.891 nan 8.380 nan 0.000 0.478 648 A N 2.484 125.231 122.820 -0.121 0.000 2.274 648 A HA 0.409 4.729 4.320 0.000 0.000 0.309 648 A C -0.184 177.287 177.584 -0.190 0.000 1.226 648 A CA -0.336 51.505 52.037 -0.326 0.000 0.853 648 A CB 0.654 19.366 19.000 -0.480 0.000 1.146 648 A HN 0.731 nan 8.150 nan 0.000 0.518 649 E N 1.992 122.087 120.200 -0.175 0.000 2.568 649 E HA 0.444 4.794 4.350 0.000 0.000 0.242 649 E C -2.241 174.302 176.600 -0.094 0.000 0.945 649 E CA -1.827 54.518 56.400 -0.091 0.000 0.918 649 E CB 0.211 29.886 29.700 -0.042 0.000 1.386 649 E HN 0.491 nan 8.360 nan 0.000 0.426 663 S N 0.575 116.246 115.700 -0.049 0.000 2.472 663 S HA 0.701 5.171 4.470 0.000 0.000 0.303 663 S C -1.228 173.325 174.600 -0.078 0.000 1.099 663 S CA -0.143 58.055 58.200 -0.003 0.000 1.077 663 S CB 0.859 64.042 63.200 -0.028 0.000 1.031 663 S HN 0.134 nan 8.310 nan 0.000 0.487 664 Y N 1.541 121.800 120.300 -0.069 0.000 2.528 664 Y HA 0.712 5.262 4.550 0.000 0.000 0.335 664 Y C 0.385 176.229 175.900 -0.093 0.000 1.093 664 Y CA -0.844 57.217 58.100 -0.064 0.000 1.134 664 Y CB 2.116 40.538 38.460 -0.063 0.000 1.253 664 Y HN 0.837 nan 8.280 nan 0.000 0.478 665 A N 2.433 125.270 122.820 0.027 0.000 2.359 665 A HA 0.737 5.058 4.320 0.000 0.000 0.303 665 A C -1.751 175.680 177.584 -0.256 0.000 1.066 665 A CA -0.541 51.389 52.037 -0.178 0.000 0.730 665 A CB 0.510 19.346 19.000 -0.273 0.000 1.211 665 A HN 0.545 nan 8.150 nan 0.000 0.439 666 I N 2.942 123.319 120.570 -0.321 0.000 2.359 666 I HA 0.298 4.468 4.170 0.000 0.000 0.284 666 I C -1.035 174.887 176.117 -0.326 0.000 1.018 666 I CA -0.406 60.758 61.300 -0.227 0.000 1.173 666 I CB 0.375 38.304 38.000 -0.119 0.000 1.326 666 I HN 0.518 nan 8.210 nan 0.000 0.462 667 Y N 6.560 126.835 120.300 -0.042 0.000 2.336 667 Y HA 0.609 5.159 4.550 0.000 0.000 0.335 667 Y C 0.365 176.236 175.900 -0.049 0.000 1.046 667 Y CA -0.341 57.722 58.100 -0.062 0.000 1.198 667 Y CB 0.821 39.258 38.460 -0.038 0.000 1.182 667 Y HN 0.384 nan 8.280 nan 0.000 0.502 668 M N 3.163 122.796 119.600 0.055 0.000 2.602 668 M HA 0.710 5.190 4.480 0.000 0.000 0.312 668 M C -0.655 175.661 176.300 0.027 0.000 1.181 668 M CA -0.630 54.687 55.300 0.029 0.000 0.910 668 M CB 2.498 35.090 32.600 -0.013 0.000 1.723 668 M HN 0.688 nan 8.290 nan 0.000 0.459 669 S N -0.286 115.430 115.700 0.027 0.000 2.636 669 S HA 0.907 5.377 4.470 0.000 0.000 0.268 669 S C -0.180 174.426 174.600 0.010 0.000 1.159 669 S CA -0.049 58.159 58.200 0.013 0.000 0.815 669 S CB 1.852 65.065 63.200 0.023 0.000 1.130 669 S HN 1.182 nan 8.310 nan 0.000 0.471 670 G N -0.985 107.810 108.800 -0.009 0.000 3.800 670 G HA2 0.510 4.470 3.960 0.000 0.000 0.221 670 G HA3 0.510 4.470 3.960 0.000 0.000 0.221 670 G C 1.179 176.052 174.900 -0.044 0.000 0.893 670 G CA 0.858 45.950 45.100 -0.012 0.000 0.986 670 G HN 2.284 nan 8.290 nan 0.000 0.719 671 G N 1.009 109.770 108.800 -0.064 0.000 2.561 671 G HA2 -0.367 3.593 3.960 0.000 0.000 0.289 671 G HA3 -0.367 3.593 3.960 0.000 0.000 0.289 671 G C 0.871 175.661 174.900 -0.184 0.000 1.169 671 G CA 1.086 46.127 45.100 -0.098 0.000 0.980 671 G HN 0.382 nan 8.290 nan 0.000 0.550 672 D N 0.212 120.458 120.400 -0.256 0.000 2.104 672 D HA -0.059 4.581 4.640 0.000 0.000 0.194 672 D C 2.755 178.607 176.300 -0.748 0.000 0.994 672 D CA 1.689 55.347 54.000 -0.569 0.000 0.830 672 D CB -0.665 39.697 40.800 -0.731 0.000 0.959 672 D HN 0.294 nan 8.370 nan 0.000 0.452 673 V N 1.116 120.783 119.914 -0.412 0.000 2.324 673 V HA -0.248 3.872 4.120 0.000 0.000 0.250 673 V C 2.464 178.472 176.094 -0.144 0.000 1.060 673 V CA 1.303 63.522 62.300 -0.136 0.000 1.042 673 V CB -0.426 31.452 31.823 0.092 0.000 0.650 673 V HN 0.151 nan 8.190 nan 0.000 0.450 674 L N -0.914 120.224 121.223 -0.141 0.000 2.156 674 L HA -0.046 4.294 4.340 0.000 0.000 0.208 674 L C 2.101 178.878 176.870 -0.154 0.000 1.095 674 L CA 1.598 56.372 54.840 -0.110 0.000 0.770 674 L CB -0.464 41.543 42.059 -0.086 0.000 0.914 674 L HN 0.192 nan 8.230 nan 0.000 0.439 675 L N -0.545 120.542 121.223 -0.228 0.000 1.970 675 L HA -0.272 4.068 4.340 0.000 0.000 0.212 675 L C 2.299 179.041 176.870 -0.215 0.000 1.071 675 L CA 1.754 56.448 54.840 -0.244 0.000 0.751 675 L CB -0.847 41.041 42.059 -0.286 0.000 0.889 675 L HN 0.328 nan 8.230 nan 0.000 0.432 676 N N -0.511 118.038 118.700 -0.253 0.000 2.182 676 N HA -0.193 4.547 4.740 0.000 0.000 0.192 676 N C 1.489 176.982 175.510 -0.027 0.000 1.007 676 N CA 1.207 54.201 53.050 -0.094 0.000 0.873 676 N CB -0.103 38.406 38.487 0.038 0.000 0.998 676 N HN 0.086 nan 8.380 nan 0.000 0.436 677 V N -0.365 119.520 119.914 -0.048 0.000 2.878 677 V HA 0.031 4.151 4.120 0.000 0.000 0.250 677 V C 1.689 177.762 176.094 -0.035 0.000 1.075 677 V CA 0.818 63.108 62.300 -0.016 0.000 1.096 677 V CB -0.067 31.749 31.823 -0.012 0.000 0.724 677 V HN 0.290 nan 8.190 nan 0.000 0.467 678 L N 0.313 121.481 121.223 -0.091 0.000 2.585 678 L HA 0.082 4.423 4.340 0.000 0.000 0.226 678 L C 2.099 178.858 176.870 -0.184 0.000 1.113 678 L CA 0.732 55.503 54.840 -0.116 0.000 0.876 678 L CB -0.068 41.895 42.059 -0.161 0.000 1.072 678 L HN 0.431 nan 8.230 nan 0.000 0.468 679 S N -1.457 114.135 115.700 -0.180 0.000 2.593 679 S HA 0.043 4.513 4.470 0.000 0.000 0.217 679 S C 1.420 176.087 174.600 0.113 0.000 0.966 679 S CA -0.039 58.044 58.200 -0.196 0.000 0.914 679 S CB -0.019 63.092 63.200 -0.149 0.000 0.776 679 S HN 0.368 nan 8.310 nan 0.000 0.523 680 K N -0.133 120.309 120.400 0.070 0.000 2.360 680 K HA 0.298 4.618 4.320 0.000 0.000 0.196 680 K C 0.258 176.880 176.600 0.036 0.000 1.049 680 K CA -0.176 56.152 56.287 0.069 0.000 1.049 680 K CB 0.222 32.757 32.500 0.058 0.000 0.881 680 K HN 0.307 nan 8.250 nan 0.000 0.542 681 C N 0.500 119.864 119.300 0.106 0.000 2.639 681 C HA 0.338 4.798 4.460 0.000 0.000 0.360 681 C C 1.613 176.684 174.990 0.135 0.000 1.351 681 C CA -0.129 58.971 59.018 0.136 0.000 2.408 681 C CB 0.946 28.765 27.740 0.131 0.000 2.517 681 C HN 0.552 nan 8.230 nan 0.000 0.696 682 A N 0.129 123.007 122.820 0.097 0.000 2.548 682 A HA 0.437 4.757 4.320 0.000 0.000 0.236 682 A C 0.934 178.545 177.584 0.045 0.000 1.246 682 A CA 0.560 52.605 52.037 0.014 0.000 0.993 682 A CB -0.433 18.499 19.000 -0.113 0.000 1.209 682 A HN 1.046 nan 8.150 nan 0.000 0.570 683 G N 0.300 109.157 108.800 0.095 0.000 2.356 683 G HA2 0.365 4.325 3.960 0.000 0.000 0.273 683 G HA3 0.365 4.325 3.960 0.000 0.000 0.273 683 G C 0.905 175.851 174.900 0.077 0.000 1.213 683 G CA 0.726 45.873 45.100 0.077 0.000 0.955 683 G HN 0.432 nan 8.290 nan 0.000 0.454 684 S N 2.303 118.032 115.700 0.049 0.000 2.456 684 S HA -0.304 4.166 4.470 0.000 0.000 0.359 684 S C 2.122 176.768 174.600 0.077 0.000 1.227 684 S CA 2.226 60.454 58.200 0.047 0.000 1.598 684 S CB -0.173 63.046 63.200 0.032 0.000 1.444 684 S HN 0.568 nan 8.310 nan 0.000 0.483 685 K N 1.044 121.487 120.400 0.072 0.000 2.437 685 K HA 0.234 4.555 4.320 0.000 0.000 0.198 685 K C 1.244 177.894 176.600 0.083 0.000 1.024 685 K CA 0.245 56.577 56.287 0.075 0.000 1.148 685 K CB 0.070 32.606 32.500 0.061 0.000 0.860 685 K HN 0.574 nan 8.250 nan 0.000 0.515 686 K N -0.527 119.932 120.400 0.099 0.000 2.399 686 K HA 0.122 4.442 4.320 0.000 0.000 0.196 686 K C 0.738 177.392 176.600 0.089 0.000 1.103 686 K CA -0.379 55.955 56.287 0.079 0.000 0.986 686 K CB 0.216 32.760 32.500 0.074 0.000 0.952 686 K HN -0.002 nan 8.250 nan 0.000 0.541 687 F N 2.794 122.742 119.950 -0.003 0.000 2.587 687 F HA 0.058 4.585 4.527 0.000 0.000 0.319 687 F C 0.079 175.870 175.800 -0.016 0.000 1.253 687 F CA 0.357 58.349 58.000 -0.013 0.000 1.345 687 F CB 0.539 39.529 39.000 -0.016 0.000 1.172 687 F HN -0.160 nan 8.300 nan 0.000 0.588 688 R N 1.898 121.602 120.500 -1.327 0.000 2.979 688 R HA 0.208 4.548 4.340 0.000 0.000 0.245 688 R C -2.938 172.645 176.300 -1.195 0.000 1.104 688 R CA -1.681 53.897 56.100 -0.871 0.000 1.056 688 R CB 1.126 31.176 30.300 -0.418 0.000 1.265 688 R HN 0.308 nan 8.270 nan 0.000 0.470 689 P HA 0.058 nan 4.420 nan 0.000 0.267 689 P C -0.233 176.914 177.300 -0.256 0.000 1.200 689 P CA 0.147 63.059 63.100 -0.314 0.000 0.772 689 P CB 0.578 32.246 31.700 -0.054 0.000 0.855 690 A N 4.825 127.565 122.820 -0.134 0.000 2.387 690 A HA 0.320 4.640 4.320 0.000 0.000 0.251 690 A C -1.899 175.622 177.584 -0.104 0.000 1.113 690 A CA -0.766 51.206 52.037 -0.108 0.000 0.794 690 A CB -1.608 17.381 19.000 -0.018 0.000 1.069 690 A HN 0.439 nan 8.150 nan 0.000 0.506 691 P HA 0.130 nan 4.420 nan 0.000 0.270 691 P C 0.439 177.723 177.300 -0.026 0.000 1.221 691 P CA 0.933 63.964 63.100 -0.115 0.000 0.788 691 P CB 0.486 32.090 31.700 -0.161 0.000 0.904 692 A N 0.379 123.190 122.820 -0.015 0.000 2.195 692 A HA 0.504 4.824 4.320 0.000 0.000 0.210 692 A C 0.851 178.455 177.584 0.032 0.000 1.165 692 A CA 1.471 53.512 52.037 0.007 0.000 0.806 692 A CB -0.381 18.618 19.000 -0.002 0.000 0.847 692 A HN 0.607 nan 8.150 nan 0.000 0.482 693 A N -1.472 121.382 122.820 0.058 0.000 2.791 693 A HA 0.766 5.086 4.320 0.000 0.000 0.309 693 A C -0.211 177.454 177.584 0.135 0.000 1.200 693 A CA -0.047 52.035 52.037 0.075 0.000 0.635 693 A CB -0.369 18.666 19.000 0.059 0.000 1.393 693 A HN 1.287 nan 8.150 nan 0.000 0.557 694 A N -0.327 122.563 122.820 0.117 0.000 2.340 694 A HA 0.711 5.031 4.320 0.000 0.000 0.268 694 A C -0.536 177.168 177.584 0.200 0.000 1.100 694 A CA 0.069 52.181 52.037 0.125 0.000 0.803 694 A CB -0.390 18.628 19.000 0.030 0.000 1.043 694 A HN 1.857 nan 8.150 nan 0.000 0.488 695 F N -0.005 119.944 119.950 -0.001 0.000 2.569 695 F HA 0.772 5.300 4.527 0.000 0.000 0.312 695 F C -0.109 175.690 175.800 -0.001 0.000 1.109 695 F CA -1.040 56.959 58.000 -0.002 0.000 0.919 695 F CB 1.023 40.019 39.000 -0.006 0.000 1.211 695 F HN 0.701 nan 8.300 nan 0.000 0.446 696 A N 3.589 126.390 122.820 -0.031 0.000 2.293 696 A HA 0.693 5.014 4.320 0.000 0.000 0.302 696 A C -0.057 177.535 177.584 0.012 0.000 1.119 696 A CA -1.087 50.893 52.037 -0.096 0.000 0.823 696 A CB 0.613 19.598 19.000 -0.024 0.000 1.097 696 A HN 0.887 nan 8.150 nan 0.000 0.491 697 R N 1.835 122.315 120.500 -0.033 0.000 3.570 697 R HA 0.163 4.504 4.340 0.000 0.000 0.233 697 R C -0.567 175.735 176.300 0.004 0.000 1.492 697 R CA -0.098 56.023 56.100 0.035 0.000 1.504 697 R CB 0.130 30.441 30.300 0.017 0.000 1.314 697 R HN 0.785 nan 8.270 nan 0.000 0.687 698 E N 0.684 120.892 120.200 0.014 0.000 2.458 698 E HA -0.084 4.266 4.350 0.000 0.000 0.264 698 E C 0.010 176.565 176.600 -0.075 0.000 1.097 698 E CA 0.114 56.507 56.400 -0.011 0.000 0.973 698 E CB 0.581 30.283 29.700 0.005 0.000 0.963 698 E HN 0.432 nan 8.360 nan 0.000 0.451 699 C N 2.115 121.362 119.300 -0.088 0.000 2.657 699 C HA 0.229 4.689 4.460 0.000 0.000 0.404 699 C C 0.488 175.341 174.990 -0.229 0.000 1.291 699 C CA -0.613 58.297 59.018 -0.180 0.000 2.218 699 C CB -0.274 27.406 27.740 -0.101 0.000 2.687 699 C HN 0.505 nan 8.230 nan 0.000 0.634 700 R N 1.212 121.437 120.500 -0.457 0.000 2.460 700 R HA 0.551 4.891 4.340 0.000 0.000 0.303 700 R C 0.391 176.657 176.300 -0.057 0.000 0.968 700 R CA -0.125 55.784 56.100 -0.320 0.000 0.889 700 R CB 1.152 31.199 30.300 -0.423 0.000 1.123 700 R HN 0.984 nan 8.270 nan 0.000 0.455 701 G N 1.227 110.029 108.800 0.003 0.000 2.528 701 G HA2 0.551 4.512 3.960 0.000 0.000 0.289 701 G HA3 0.551 4.512 3.960 0.000 0.000 0.289 701 G C -0.926 174.128 174.900 0.256 0.000 1.192 701 G CA -0.336 44.834 45.100 0.117 0.000 0.921 701 G HN 0.486 nan 8.290 nan 0.000 0.512 702 F N -1.258 118.714 119.950 0.036 0.000 2.881 702 F HA 0.496 5.024 4.527 0.000 0.000 0.348 702 F C -1.449 174.463 175.800 0.187 0.000 1.240 702 F CA -2.135 55.903 58.000 0.063 0.000 1.130 702 F CB 0.018 39.122 39.000 0.174 0.000 1.417 702 F HN 0.442 nan 8.300 nan 0.000 0.585 703 Y N 3.979 124.446 120.300 0.278 0.000 2.426 703 Y HA 0.509 5.059 4.550 0.000 0.000 0.344 703 Y C 0.318 176.361 175.900 0.239 0.000 1.256 703 Y CA 0.084 58.290 58.100 0.176 0.000 1.451 703 Y CB 0.479 38.981 38.460 0.069 0.000 1.342 703 Y HN 0.673 nan 8.280 nan 0.000 0.600 704 F N -2.309 117.714 119.950 0.123 0.000 2.789 704 F HA 0.691 5.218 4.527 0.000 0.000 0.319 704 F C -1.330 174.496 175.800 0.043 0.000 1.168 704 F CA -1.501 56.542 58.000 0.073 0.000 0.934 704 F CB 1.262 40.234 39.000 -0.046 0.000 1.375 704 F HN 0.142 nan 8.300 nan 0.000 0.480 705 E N 1.412 121.756 120.200 0.240 0.000 2.187 705 E HA 0.544 4.894 4.350 0.000 0.000 0.268 705 E C -1.776 174.940 176.600 0.193 0.000 0.896 705 E CA -0.637 55.836 56.400 0.122 0.000 0.766 705 E CB 2.655 32.413 29.700 0.096 0.000 1.142 705 E HN 0.695 nan 8.360 nan 0.000 0.408 706 L N 3.003 124.303 121.223 0.129 0.000 2.349 706 L HA 0.294 4.634 4.340 0.000 0.000 0.278 706 L C -0.993 175.957 176.870 0.133 0.000 0.996 706 L CA -0.507 54.411 54.840 0.129 0.000 0.825 706 L CB 1.564 43.673 42.059 0.084 0.000 1.243 706 L HN 0.292 nan 8.230 nan 0.000 0.412 707 Q N 3.161 123.063 119.800 0.170 0.000 2.333 707 Q HA 0.317 4.657 4.340 0.000 0.000 0.268 707 Q C -0.898 175.224 176.000 0.204 0.000 1.007 707 Q CA -0.450 55.447 55.803 0.157 0.000 0.810 707 Q CB 1.519 30.311 28.738 0.090 0.000 1.264 707 Q HN 0.593 nan 8.270 nan 0.000 0.452 708 E N 3.888 124.198 120.200 0.182 0.000 2.376 708 E HA 0.262 4.613 4.350 0.000 0.000 0.266 708 E C -1.084 175.438 176.600 -0.129 0.000 1.009 708 E CA 0.051 56.411 56.400 -0.067 0.000 0.902 708 E CB 0.451 30.143 29.700 -0.013 0.000 0.972 708 E HN 0.660 nan 8.360 nan 0.000 0.439 709 L N 4.843 125.916 121.223 -0.250 0.000 2.354 709 L HA 0.330 4.670 4.340 0.000 0.000 0.269 709 L C 0.966 177.749 176.870 -0.145 0.000 1.005 709 L CA -1.065 53.694 54.840 -0.137 0.000 0.819 709 L CB 1.728 43.741 42.059 -0.076 0.000 1.311 709 L HN 0.766 nan 8.230 nan 0.000 0.423 710 K N 1.641 121.994 120.400 -0.079 0.000 2.605 710 K HA -0.190 4.131 4.320 0.000 0.000 0.218 710 K C 0.077 176.637 176.600 -0.066 0.000 0.667 710 K CA 0.948 57.199 56.287 -0.060 0.000 0.845 710 K CB -0.103 32.379 32.500 -0.029 0.000 0.262 710 K HN 0.601 nan 8.250 nan 0.000 1.062 711 E N 0.034 120.213 120.200 -0.035 0.000 2.408 711 E HA 0.300 4.650 4.350 0.000 0.000 0.275 711 E C -1.864 174.736 176.600 -0.000 0.000 0.935 711 E CA -0.569 55.818 56.400 -0.021 0.000 0.775 711 E CB 2.209 31.898 29.700 -0.018 0.000 1.277 711 E HN 0.619 nan 8.360 nan 0.000 0.455 712 D N 0.154 120.564 120.400 0.017 0.000 2.890 712 D HA 0.073 4.713 4.640 0.000 0.000 0.306 712 D C -1.587 174.719 176.300 0.010 0.000 1.280 712 D CA -0.434 53.576 54.000 0.017 0.000 0.742 712 D CB 0.587 41.411 40.800 0.039 0.000 1.266 712 D HN 0.361 nan 8.370 nan 0.000 0.433 713 D N -0.243 120.122 120.400 -0.058 0.000 2.371 713 D HA 0.406 5.047 4.640 0.000 0.000 0.242 713 D C -0.231 175.944 176.300 -0.207 0.000 1.218 713 D CA 0.325 54.180 54.000 -0.242 0.000 0.945 713 D CB 0.604 41.219 40.800 -0.309 0.000 1.137 713 D HN 0.481 nan 8.370 nan 0.000 0.464 714 Y N -3.216 116.734 120.300 -0.582 0.000 2.677 714 Y HA 0.541 5.091 4.550 0.000 0.000 0.334 714 Y C -2.176 173.343 175.900 -0.634 0.000 1.196 714 Y CA -1.562 56.261 58.100 -0.462 0.000 1.059 714 Y CB 0.820 39.187 38.460 -0.156 0.000 1.315 714 Y HN 0.280 nan 8.280 nan 0.000 0.455 715 Y N 0.804 121.317 120.300 0.355 0.000 2.315 715 Y HA 0.733 5.283 4.550 0.000 0.000 0.324 715 Y C 0.300 176.347 175.900 0.246 0.000 1.062 715 Y CA -1.426 56.821 58.100 0.244 0.000 1.159 715 Y CB 1.618 40.171 38.460 0.155 0.000 1.145 715 Y HN 1.072 nan 8.280 nan 0.000 0.442 716 G N 1.067 110.067 108.800 0.334 0.000 2.557 716 G HA2 0.529 4.490 3.960 0.000 0.000 0.292 716 G HA3 0.529 4.490 3.960 0.000 0.000 0.292 716 G C -0.500 174.537 174.900 0.228 0.000 1.237 716 G CA -0.509 44.720 45.100 0.214 0.000 0.978 716 G HN 0.525 nan 8.290 nan 0.000 0.498 717 I N -0.032 120.663 120.570 0.208 0.000 3.376 717 I HA 0.154 4.324 4.170 0.000 0.000 0.326 717 I C 0.758 176.905 176.117 0.050 0.000 1.538 717 I CA -0.408 60.936 61.300 0.074 0.000 0.989 717 I CB 0.374 38.319 38.000 -0.092 0.000 1.413 717 I HN 0.365 nan 8.210 nan 0.000 0.547 718 T N 2.948 117.566 114.554 0.107 0.000 2.427 718 T HA -0.124 4.226 4.350 0.000 0.000 0.200 718 T C 0.779 175.524 174.700 0.075 0.000 1.034 718 T CA 0.932 63.097 62.100 0.108 0.000 1.177 718 T CB -0.199 68.724 68.868 0.090 0.000 0.993 718 T HN 0.149 nan 8.240 nan 0.000 0.447 719 L N 2.419 123.707 121.223 0.109 0.000 2.744 719 L HA 0.410 4.750 4.340 0.000 0.000 0.218 719 L C 1.736 178.652 176.870 0.077 0.000 1.190 719 L CA -1.032 53.844 54.840 0.059 0.000 0.869 719 L CB 0.149 42.235 42.059 0.046 0.000 1.652 719 L HN 0.816 nan 8.230 nan 0.000 0.519 720 S N -1.028 114.685 115.700 0.022 0.000 2.534 720 S HA -0.095 4.375 4.470 0.000 0.000 0.241 720 S C 0.384 175.046 174.600 0.104 0.000 1.334 720 S CA 0.666 58.884 58.200 0.029 0.000 0.978 720 S CB 0.320 63.509 63.200 -0.018 0.000 0.925 720 S HN 0.733 nan 8.310 nan 0.000 0.522 721 D N -1.132 119.318 120.400 0.084 0.000 2.498 721 D HA 0.149 4.789 4.640 0.000 0.000 0.223 721 D C 0.304 176.657 176.300 0.088 0.000 1.125 721 D CA 0.340 54.441 54.000 0.168 0.000 0.835 721 D CB 0.185 41.053 40.800 0.114 0.000 1.086 721 D HN 0.652 nan 8.370 nan 0.000 0.510 722 D N -0.109 120.288 120.400 -0.005 0.000 2.463 722 D HA 0.045 4.685 4.640 0.000 0.000 0.224 722 D C 0.196 176.435 176.300 -0.102 0.000 1.174 722 D CA -0.102 53.881 54.000 -0.028 0.000 0.829 722 D CB 0.165 40.958 40.800 -0.012 0.000 0.993 722 D HN 0.093 nan 8.370 nan 0.000 0.497 723 S N 0.189 115.744 115.700 -0.241 0.000 2.726 723 S HA 0.210 4.680 4.470 0.000 0.000 0.308 723 S C 0.971 175.259 174.600 -0.520 0.000 1.115 723 S CA -0.417 57.601 58.200 -0.304 0.000 0.965 723 S CB 2.269 65.314 63.200 -0.258 0.000 1.145 723 S HN -0.002 nan 8.310 nan 0.000 0.532 724 D N -0.141 120.075 120.400 -0.307 0.000 2.218 724 D HA -0.222 4.418 4.640 0.000 0.000 0.204 724 D C 0.376 176.546 176.300 -0.215 0.000 0.976 724 D CA 1.810 55.691 54.000 -0.198 0.000 0.853 724 D CB -0.742 40.013 40.800 -0.075 0.000 0.939 724 D HN 0.795 nan 8.370 nan 0.000 0.481 725 H N -0.919 118.102 119.070 -0.082 0.000 3.433 725 H HA -0.132 4.424 4.556 0.000 0.000 0.197 725 H C -0.483 174.672 175.328 -0.288 0.000 1.059 725 H CA 1.029 56.958 56.048 -0.197 0.000 1.185 725 H CB -1.987 27.574 29.762 -0.334 0.000 1.106 725 H HN 0.472 nan 8.280 nan 0.000 0.329 726 Q N -0.148 119.609 119.800 -0.073 0.000 2.345 726 Q HA 0.661 5.002 4.340 0.000 0.000 0.268 726 Q C -0.170 175.854 176.000 0.040 0.000 1.054 726 Q CA -0.851 54.899 55.803 -0.088 0.000 0.835 726 Q CB 2.634 31.321 28.738 -0.085 0.000 1.339 726 Q HN 0.202 nan 8.270 nan 0.000 0.447 727 F N -1.510 118.393 119.950 -0.078 0.000 2.686 727 F HA 0.602 5.129 4.527 0.000 0.000 0.311 727 F C -1.895 173.839 175.800 -0.109 0.000 1.128 727 F CA -1.416 56.531 58.000 -0.088 0.000 0.946 727 F CB 0.986 39.937 39.000 -0.082 0.000 1.336 727 F HN 0.282 nan 8.300 nan 0.000 0.457 728 L N 3.633 124.878 121.223 0.037 0.000 2.292 728 L HA 0.429 4.769 4.340 0.000 0.000 0.284 728 L C 0.175 177.008 176.870 -0.062 0.000 1.065 728 L CA -0.741 54.050 54.840 -0.081 0.000 0.806 728 L CB 1.252 43.303 42.059 -0.013 0.000 1.175 728 L HN 0.638 nan 8.230 nan 0.000 0.431 729 L N 1.925 123.014 121.223 -0.224 0.000 2.464 729 L HA 0.137 4.477 4.340 0.000 0.000 0.224 729 L C 1.720 178.541 176.870 -0.081 0.000 1.219 729 L CA 0.103 54.828 54.840 -0.191 0.000 0.831 729 L CB 0.401 42.271 42.059 -0.315 0.000 1.284 729 L HN 0.804 nan 8.230 nan 0.000 0.522 730 A N 0.746 123.526 122.820 -0.068 0.000 1.930 730 A HA -0.161 4.159 4.320 0.000 0.000 0.217 730 A C 1.371 178.926 177.584 -0.047 0.000 1.175 730 A CA 1.664 53.676 52.037 -0.041 0.000 0.627 730 A CB -0.803 18.176 19.000 -0.035 0.000 0.815 730 A HN 0.887 nan 8.150 nan 0.000 0.443 731 N N -0.805 117.856 118.700 -0.065 0.000 2.362 731 N HA 0.068 4.808 4.740 0.000 0.000 0.211 731 N C 0.364 175.823 175.510 -0.086 0.000 1.170 731 N CA 0.602 53.600 53.050 -0.086 0.000 0.828 731 N CB -0.183 38.244 38.487 -0.100 0.000 1.034 731 N HN 0.593 nan 8.380 nan 0.000 0.475 732 Q N -2.349 117.430 119.800 -0.035 0.000 2.282 732 Q HA -0.166 4.174 4.340 0.000 0.000 0.182 732 Q C -0.758 175.284 176.000 0.070 0.000 0.609 732 Q CA 1.017 56.844 55.803 0.040 0.000 1.397 732 Q CB -1.741 27.075 28.738 0.130 0.000 1.458 732 Q HN 0.368 nan 8.270 nan 0.000 0.852 733 V N 1.729 121.643 119.914 -0.000 0.000 2.673 733 V HA 0.016 4.136 4.120 0.000 0.000 0.303 733 V C 0.712 176.747 176.094 -0.099 0.000 1.046 733 V CA 0.435 62.756 62.300 0.035 0.000 1.126 733 V CB 1.393 33.231 31.823 0.024 0.000 0.934 733 V HN 0.061 nan 8.190 nan 0.000 0.487 734 V N 7.011 126.897 119.914 -0.047 0.000 2.339 734 V HA 0.220 4.340 4.120 0.000 0.000 0.261 734 V C 0.186 176.125 176.094 -0.258 0.000 1.058 734 V CA -0.185 62.017 62.300 -0.163 0.000 0.897 734 V CB 1.074 32.853 31.823 -0.072 0.000 1.052 734 V HN 0.734 nan 8.190 nan 0.000 0.480 735 V N 2.164 121.781 119.914 -0.495 0.000 2.973 735 V HA 0.574 4.694 4.120 0.000 0.000 0.314 735 V C 0.089 175.990 176.094 -0.323 0.000 1.066 735 V CA -0.806 61.216 62.300 -0.464 0.000 1.021 735 V CB 1.619 33.035 31.823 -0.679 0.000 1.076 735 V HN 0.773 nan 8.190 nan 0.000 0.462 736 H N 2.428 121.407 119.070 -0.151 0.000 2.467 736 H HA 0.386 4.942 4.556 0.000 0.000 0.331 736 H C 0.263 175.665 175.328 0.123 0.000 1.120 736 H CA 0.090 56.124 56.048 -0.024 0.000 1.270 736 H CB 1.517 31.271 29.762 -0.015 0.000 1.466 736 H HN 1.081 nan 8.280 nan 0.000 0.504 737 N N 0.000 118.741 118.700 0.068 0.000 1.763 737 N HA 0.000 4.740 4.740 0.000 0.000 0.220 737 N CA 0.000 53.264 53.050 0.357 0.000 0.885 737 N CB 0.000 38.648 38.487 0.269 0.000 1.341 737 N HN 0.000 nan 8.380 nan 0.000 0.667