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 2xo7_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWA LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGEE LAEQLRTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKSKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQARLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK 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 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.587 177.584 0.005 0.000 1.274 297 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 297 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 298 K N -0.073 120.334 120.400 0.011 0.000 2.188 298 K HA 0.444 2.767 4.320 -3.327 0.000 0.246 298 K C 0.019 176.648 176.600 0.049 0.000 1.026 298 K CA 0.391 56.701 56.287 0.038 0.000 0.871 298 K CB 0.366 32.887 32.500 0.036 0.000 1.042 298 K HN 0.476 nan 8.250 nan 0.000 0.509 299 M N 0.764 120.425 119.600 0.101 0.000 2.364 299 M HA 0.329 2.813 4.480 -3.327 0.000 0.334 299 M C -1.167 175.239 176.300 0.177 0.000 1.107 299 M CA -0.507 54.860 55.300 0.111 0.000 0.988 299 M CB 1.740 34.404 32.600 0.107 0.000 1.673 299 M HN 0.748 nan 8.290 nan 0.000 0.441 300 A N 5.004 127.876 122.820 0.086 0.000 2.450 300 A HA 0.563 2.886 4.320 -3.327 0.000 0.255 300 A C -1.025 176.630 177.584 0.119 0.000 1.096 300 A CA -0.088 51.961 52.037 0.021 0.000 0.778 300 A CB -0.465 18.513 19.000 -0.037 0.000 1.031 300 A HN 0.826 nan 8.150 nan 0.000 0.494 301 F N -0.672 119.214 119.950 -0.107 0.000 2.628 301 F HA 0.568 3.099 4.527 -3.327 0.000 0.309 301 F C -0.292 175.436 175.800 -0.120 0.000 1.108 301 F CA -0.847 57.064 58.000 -0.149 0.000 0.971 301 F CB 0.853 39.797 39.000 -0.094 0.000 1.279 301 F HN 0.271 nan 8.300 nan 0.000 0.441 302 T N 3.921 118.427 114.554 -0.080 0.000 2.779 302 T HA 0.243 2.597 4.350 -3.327 0.000 0.296 302 T C -0.155 174.674 174.700 0.215 0.000 0.938 302 T CA -0.108 61.976 62.100 -0.026 0.000 1.119 302 T CB 0.685 69.564 68.868 0.019 0.000 0.891 302 T HN 0.710 nan 8.240 nan 0.000 0.526 303 L N 4.261 125.566 121.223 0.136 0.000 2.401 303 L HA 0.462 2.806 4.340 -3.327 0.000 0.283 303 L C 0.593 177.597 176.870 0.223 0.000 1.151 303 L CA -0.433 54.594 54.840 0.313 0.000 0.942 303 L CB -0.407 41.765 42.059 0.189 0.000 1.283 303 L HN 0.726 nan 8.230 nan 0.000 0.442 304 A N 2.698 125.660 122.820 0.237 0.000 2.401 304 A HA 0.152 2.476 4.320 -3.327 0.000 0.259 304 A C 0.460 178.078 177.584 0.057 0.000 1.103 304 A CA -0.367 51.744 52.037 0.123 0.000 0.789 304 A CB 0.455 19.512 19.000 0.095 0.000 1.035 304 A HN 0.730 nan 8.150 nan 0.000 0.491 305 D N 0.424 120.840 120.400 0.027 0.000 2.395 305 D HA 0.134 2.778 4.640 -3.327 0.000 0.213 305 D C 0.391 176.671 176.300 -0.035 0.000 1.110 305 D CA 0.219 54.220 54.000 0.001 0.000 0.835 305 D CB 0.041 40.850 40.800 0.015 0.000 0.965 305 D HN 0.716 nan 8.370 nan 0.000 0.505 306 R N -1.724 118.743 120.500 -0.056 0.000 2.634 306 R HA 0.369 2.713 4.340 -3.327 0.000 0.263 306 R C -1.933 174.295 176.300 -0.120 0.000 1.060 306 R CA -0.799 55.254 56.100 -0.079 0.000 0.898 306 R CB 0.600 30.869 30.300 -0.052 0.000 1.253 306 R HN -0.234 nan 8.270 nan 0.000 0.461 307 V N 3.094 122.922 119.914 -0.143 0.000 2.372 307 V HA 0.229 2.352 4.120 -3.327 0.000 0.261 307 V C 0.603 176.603 176.094 -0.157 0.000 1.055 307 V CA 0.106 62.292 62.300 -0.190 0.000 0.930 307 V CB 0.773 32.491 31.823 -0.176 0.000 1.031 307 V HN 0.882 nan 8.190 nan 0.000 0.479 308 T N 1.137 115.571 114.554 -0.201 0.000 2.918 308 T HA 0.338 2.692 4.350 -3.327 0.000 0.283 308 T C 0.967 175.539 174.700 -0.214 0.000 1.001 308 T CA -0.641 61.354 62.100 -0.176 0.000 1.041 308 T CB 1.505 70.277 68.868 -0.160 0.000 1.028 308 T HN 0.562 nan 8.240 nan 0.000 0.511 309 E N 0.390 120.495 120.200 -0.159 0.000 2.267 309 E HA -0.152 2.202 4.350 -3.327 0.000 0.197 309 E C 1.815 178.301 176.600 -0.191 0.000 0.998 309 E CA 1.528 57.843 56.400 -0.143 0.000 0.830 309 E CB -0.230 29.411 29.700 -0.098 0.000 0.751 309 E HN 0.946 nan 8.360 nan 0.000 0.491 310 E N 0.162 120.205 120.200 -0.262 0.000 2.478 310 E HA -0.027 2.326 4.350 -3.327 0.000 0.194 310 E C 1.397 177.811 176.600 -0.310 0.000 1.045 310 E CA 0.152 56.367 56.400 -0.309 0.000 0.868 310 E CB -0.067 29.373 29.700 -0.434 0.000 0.885 310 E HN 0.267 nan 8.360 nan 0.000 0.505 311 M N 0.792 120.072 119.600 -0.533 0.000 2.561 311 M HA 0.168 2.651 4.480 -3.327 0.000 0.238 311 M C 0.654 176.550 176.300 -0.672 0.000 1.131 311 M CA 0.518 55.365 55.300 -0.755 0.000 1.046 311 M CB 0.419 32.505 32.600 -0.856 0.000 1.532 311 M HN 0.111 nan 8.290 nan 0.000 0.497 312 L N -0.061 120.867 121.223 -0.493 0.000 3.154 312 L HA 0.465 2.809 4.340 -3.327 0.000 0.266 312 L C 0.631 177.417 176.870 -0.140 0.000 1.300 312 L CA -0.790 53.677 54.840 -0.622 0.000 1.028 312 L CB -0.329 41.538 42.059 -0.319 0.000 1.412 312 L HN 0.049 nan 8.230 nan 0.000 0.564 313 A N -0.227 122.584 122.820 -0.016 0.000 2.386 313 A HA 0.117 2.441 4.320 -3.327 0.000 0.246 313 A C 0.763 178.558 177.584 0.351 0.000 1.089 313 A CA -0.119 52.026 52.037 0.180 0.000 0.790 313 A CB 0.336 19.414 19.000 0.130 0.000 1.042 313 A HN 0.362 nan 8.150 nan 0.000 0.497 314 D N -0.439 120.110 120.400 0.248 0.000 2.178 314 D HA 0.022 2.666 4.640 -3.327 0.000 0.202 314 D C 0.458 176.890 176.300 0.221 0.000 0.974 314 D CA 1.564 55.694 54.000 0.216 0.000 0.841 314 D CB 0.051 40.931 40.800 0.134 0.000 0.953 314 D HN 0.383 nan 8.370 nan 0.000 0.478 315 K N 0.147 120.700 120.400 0.256 0.000 2.345 315 K HA 0.687 3.010 4.320 -3.327 0.000 0.255 315 K C -1.472 175.383 176.600 0.426 0.000 0.934 315 K CA -0.802 55.668 56.287 0.304 0.000 0.801 315 K CB 1.884 34.552 32.500 0.281 0.000 1.137 315 K HN -0.048 nan 8.250 nan 0.000 0.424 316 A N 2.018 125.120 122.820 0.471 0.000 2.612 316 A HA 0.807 3.131 4.320 -3.327 0.000 0.293 316 A C -1.651 176.213 177.584 0.466 0.000 1.075 316 A CA -0.493 51.812 52.037 0.447 0.000 0.680 316 A CB 1.321 20.598 19.000 0.461 0.000 1.279 316 A HN 0.780 nan 8.150 nan 0.000 0.411 317 A N 0.487 123.549 122.820 0.403 0.000 2.288 317 A HA 0.701 3.025 4.320 -3.327 0.000 0.320 317 A C -0.831 176.911 177.584 0.263 0.000 1.217 317 A CA -0.344 51.907 52.037 0.357 0.000 0.840 317 A CB 0.531 19.772 19.000 0.402 0.000 1.179 317 A HN 1.943 nan 8.150 nan 0.000 0.504 318 L N 3.233 124.608 121.223 0.254 0.000 2.362 318 L HA 0.828 3.171 4.340 -3.327 0.000 0.271 318 L C -1.242 175.736 176.870 0.180 0.000 1.002 318 L CA -0.444 54.547 54.840 0.251 0.000 0.818 318 L CB 2.267 44.523 42.059 0.328 0.000 1.298 318 L HN 0.393 nan 8.230 nan 0.000 0.420 319 V N 5.087 125.097 119.914 0.161 0.000 2.525 319 V HA 0.507 2.631 4.120 -3.327 0.000 0.299 319 V C -0.912 175.254 176.094 0.121 0.000 1.034 319 V CA -0.544 61.828 62.300 0.121 0.000 0.863 319 V CB 2.074 33.947 31.823 0.084 0.000 0.999 319 V HN 0.541 nan 8.190 nan 0.000 0.423 320 V N 4.384 124.361 119.914 0.105 0.000 2.326 320 V HA 0.434 2.557 4.120 -3.327 0.000 0.281 320 V C -0.168 175.969 176.094 0.071 0.000 1.015 320 V CA -0.632 61.723 62.300 0.092 0.000 0.823 320 V CB 1.575 33.446 31.823 0.081 0.000 1.009 320 V HN 0.912 nan 8.190 nan 0.000 0.436 321 E N 4.013 124.262 120.200 0.081 0.000 2.174 321 E HA 0.572 2.926 4.350 -3.327 0.000 0.282 321 E C -1.091 175.538 176.600 0.048 0.000 0.992 321 E CA -0.264 56.186 56.400 0.083 0.000 0.803 321 E CB 1.685 31.469 29.700 0.141 0.000 1.090 321 E HN 0.430 nan 8.360 nan 0.000 0.396 322 V N 6.301 126.227 119.914 0.019 0.000 2.357 322 V HA 0.124 2.247 4.120 -3.327 0.000 0.281 322 V C 0.801 176.865 176.094 -0.050 0.000 1.015 322 V CA -0.565 61.733 62.300 -0.003 0.000 0.827 322 V CB 1.182 33.012 31.823 0.013 0.000 1.018 322 V HN 0.713 nan 8.190 nan 0.000 0.432 323 V N 1.961 121.800 119.914 -0.125 0.000 2.379 323 V HA -0.025 2.099 4.120 -3.327 0.000 0.245 323 V C 1.342 177.338 176.094 -0.164 0.000 1.044 323 V CA 1.049 63.181 62.300 -0.280 0.000 1.036 323 V CB -0.251 31.317 31.823 -0.426 0.000 0.664 323 V HN 0.828 nan 8.190 nan 0.000 0.453 324 E N 0.856 121.000 120.200 -0.093 0.000 2.653 324 E HA -0.121 2.233 4.350 -3.327 0.000 0.264 324 E C 1.234 177.817 176.600 -0.029 0.000 0.949 324 E CA 0.377 56.742 56.400 -0.058 0.000 0.953 324 E CB 0.487 30.159 29.700 -0.047 0.000 0.925 324 E HN 0.529 nan 8.360 nan 0.000 0.475 325 E N 1.823 122.003 120.200 -0.033 0.000 2.047 325 E HA -0.153 2.200 4.350 -3.327 0.000 0.191 325 E C 0.669 177.242 176.600 -0.044 0.000 0.987 325 E CA 0.587 56.978 56.400 -0.015 0.000 0.799 325 E CB 0.110 29.798 29.700 -0.020 0.000 0.752 325 E HN 0.266 nan 8.360 nan 0.000 0.449 326 N N 0.629 119.271 118.700 -0.097 0.000 2.415 326 N HA -0.043 2.701 4.740 -3.327 0.000 0.246 326 N C -0.107 175.286 175.510 -0.194 0.000 1.078 326 N CA -0.045 52.882 53.050 -0.206 0.000 0.942 326 N CB 0.344 38.741 38.487 -0.150 0.000 1.140 326 N HN 0.107 nan 8.380 nan 0.000 0.501 327 Y N 1.133 121.343 120.300 -0.151 0.000 2.529 327 Y HA 0.269 2.823 4.550 -3.328 0.000 0.290 327 Y C 0.247 176.009 175.900 -0.231 0.000 1.177 327 Y CA -0.400 57.599 58.100 -0.170 0.000 1.305 327 Y CB -0.728 37.647 38.460 -0.142 0.000 1.047 327 Y HN 0.366 nan 8.280 nan 0.000 0.522 328 H N 2.913 121.852 119.070 -0.219 0.000 3.017 328 H HA 0.064 2.624 4.556 -3.327 0.000 0.276 328 H C 0.188 174.974 175.328 -0.904 0.000 1.062 328 H CA 0.750 56.531 56.048 -0.445 0.000 1.486 328 H CB 0.346 29.901 29.762 -0.345 0.000 1.507 328 H HN 0.372 nan 8.280 nan 0.000 0.508 329 D N 1.285 120.940 120.400 -1.242 0.000 2.800 329 D HA -0.168 2.476 4.640 -3.327 0.000 0.232 329 D C -0.445 175.639 176.300 -0.361 0.000 1.137 329 D CA 0.786 54.228 54.000 -0.930 0.000 0.718 329 D CB -0.847 39.206 40.800 -1.245 0.000 1.084 329 D HN 0.733 nan 8.370 nan 0.000 0.432 330 A N 0.274 122.970 122.820 -0.206 0.000 2.303 330 A HA 0.721 3.045 4.320 -3.327 0.000 0.317 330 A C -2.232 175.334 177.584 -0.030 0.000 1.149 330 A CA -1.127 50.854 52.037 -0.092 0.000 0.822 330 A CB 0.906 19.880 19.000 -0.043 0.000 1.131 330 A HN 0.100 nan 8.150 nan 0.000 0.493 331 P HA 0.315 nan 4.420 nan 0.000 0.271 331 P C -0.831 176.479 177.300 0.018 0.000 1.218 331 P CA 0.081 63.185 63.100 0.006 0.000 0.780 331 P CB 0.424 32.126 31.700 0.004 0.000 0.901 332 I N 2.595 123.185 120.570 0.033 0.000 2.304 332 I HA 0.053 2.226 4.170 -3.327 0.000 0.291 332 I C 1.613 177.758 176.117 0.046 0.000 1.018 332 I CA -0.542 60.782 61.300 0.040 0.000 1.260 332 I CB 1.504 39.533 38.000 0.048 0.000 1.390 332 I HN 0.207 nan 8.210 nan 0.000 0.475 333 V N 3.231 123.181 119.914 0.060 0.000 2.788 333 V HA 0.418 2.542 4.120 -3.327 0.000 0.251 333 V C 0.779 176.953 176.094 0.134 0.000 1.068 333 V CA 0.916 63.272 62.300 0.094 0.000 1.090 333 V CB -0.376 31.514 31.823 0.112 0.000 0.710 333 V HN 0.815 nan 8.190 nan 0.000 0.467 334 G N -0.745 108.126 108.800 0.119 0.000 2.559 334 G HA2 0.683 2.647 3.960 -3.327 0.000 0.291 334 G HA3 0.683 2.647 3.960 -3.327 0.000 0.291 334 G C -1.760 173.134 174.900 -0.011 0.000 1.424 334 G CA -0.706 44.449 45.100 0.092 0.000 0.786 334 G HN 0.230 nan 8.290 nan 0.000 0.485 335 I N -0.252 120.187 120.570 -0.218 0.000 2.752 335 I HA 0.687 2.861 4.170 -3.327 0.000 0.295 335 I C -0.278 175.757 176.117 -0.138 0.000 1.219 335 I CA -1.066 60.157 61.300 -0.128 0.000 1.030 335 I CB 2.389 40.306 38.000 -0.139 0.000 1.259 335 I HN 0.866 nan 8.210 nan 0.000 0.423 336 A N 4.868 127.706 122.820 0.031 0.000 2.455 336 A HA 0.886 3.210 4.320 -3.327 0.000 0.300 336 A C -1.455 176.198 177.584 0.114 0.000 1.040 336 A CA -0.538 51.545 52.037 0.077 0.000 0.697 336 A CB 1.936 20.989 19.000 0.087 0.000 1.265 336 A HN 0.379 nan 8.150 nan 0.000 0.407 337 V N 1.562 121.560 119.914 0.140 0.000 2.735 337 V HA 0.701 2.825 4.120 -3.327 0.000 0.310 337 V C -0.665 175.522 176.094 0.154 0.000 1.061 337 V CA -0.602 61.790 62.300 0.153 0.000 0.913 337 V CB 1.858 33.730 31.823 0.081 0.000 1.005 337 V HN 0.754 nan 8.190 nan 0.000 0.428 338 V N 4.403 124.336 119.914 0.030 0.000 2.638 338 V HA 0.697 2.821 4.120 -3.327 0.000 0.306 338 V C -0.662 175.124 176.094 -0.515 0.000 1.052 338 V CA -0.459 61.731 62.300 -0.184 0.000 0.885 338 V CB 2.009 33.686 31.823 -0.244 0.000 0.999 338 V HN 1.174 nan 8.190 nan 0.000 0.424 339 N N 1.876 120.224 118.700 -0.586 0.000 3.243 339 N HA 0.231 2.974 4.740 -3.327 0.000 0.280 339 N C 0.709 175.884 175.510 -0.560 0.000 1.545 339 N CA -0.365 52.219 53.050 -0.778 0.000 0.854 339 N CB 0.571 38.916 38.487 -0.237 0.000 1.612 339 N HN 0.536 nan 8.380 nan 0.000 0.577 340 E N -1.016 118.980 120.200 -0.339 0.000 2.273 340 E HA -0.281 2.073 4.350 -3.327 0.000 0.198 340 E C 0.009 176.493 176.600 -0.194 0.000 1.002 340 E CA 1.352 57.641 56.400 -0.185 0.000 0.828 340 E CB -0.428 29.174 29.700 -0.164 0.000 0.747 340 E HN 0.580 nan 8.360 nan 0.000 0.491 341 H N 0.180 119.263 119.070 0.023 0.000 2.562 341 H HA 0.354 2.913 4.556 -3.327 0.000 0.267 341 H C 1.195 176.563 175.328 0.065 0.000 0.959 341 H CA 0.951 57.051 56.048 0.087 0.000 1.204 341 H CB 1.259 31.114 29.762 0.155 0.000 1.430 341 H HN 0.393 nan 8.280 nan 0.000 0.545 342 G N 0.200 109.029 108.800 0.048 0.000 2.332 342 G HA2 0.110 2.074 3.960 -3.327 0.000 0.265 342 G HA3 0.110 2.074 3.960 -3.327 0.000 0.265 342 G C -1.404 173.203 174.900 -0.487 0.000 1.329 342 G CA -1.121 43.811 45.100 -0.279 0.000 0.949 342 G HN 0.096 nan 8.290 nan 0.000 0.476 343 R N -0.533 119.504 120.500 -0.773 0.000 2.513 343 R HA 0.660 3.003 4.340 -3.327 0.000 0.301 343 R C -1.604 174.286 176.300 -0.683 0.000 0.968 343 R CA -0.463 55.339 56.100 -0.497 0.000 0.872 343 R CB 1.659 31.853 30.300 -0.176 0.000 1.177 343 R HN 0.312 nan 8.270 nan 0.000 0.444 344 F N 2.206 122.193 119.950 0.062 0.000 2.556 344 F HA 0.443 2.973 4.527 -3.327 0.000 0.314 344 F C -0.549 175.322 175.800 0.119 0.000 1.106 344 F CA -1.054 57.003 58.000 0.095 0.000 0.911 344 F CB 1.658 40.648 39.000 -0.017 0.000 1.190 344 F HN 0.359 nan 8.300 nan 0.000 0.448 345 F N 4.425 124.504 119.950 0.214 0.000 2.449 345 F HA 0.767 3.298 4.527 -3.327 0.000 0.342 345 F C -1.747 174.097 175.800 0.073 0.000 1.127 345 F CA -0.814 57.238 58.000 0.086 0.000 0.975 345 F CB 0.811 39.843 39.000 0.053 0.000 1.146 345 F HN 0.342 nan 8.300 nan 0.000 0.444 346 L N 6.628 127.377 121.223 -0.789 0.000 2.346 346 L HA 0.562 2.906 4.340 -3.327 0.000 0.276 346 L C -0.275 176.071 176.870 -0.872 0.000 1.006 346 L CA -0.973 53.479 54.840 -0.647 0.000 0.817 346 L CB 1.931 43.674 42.059 -0.527 0.000 1.272 346 L HN 0.576 nan 8.230 nan 0.000 0.421 347 R N 3.204 123.393 120.500 -0.519 0.000 2.491 347 R HA 0.149 2.493 4.340 -3.327 0.000 0.283 347 R C -1.761 174.403 176.300 -0.227 0.000 1.072 347 R CA -1.575 54.344 56.100 -0.302 0.000 1.048 347 R CB 0.381 30.631 30.300 -0.083 0.000 0.983 347 R HN 0.337 nan 8.270 nan 0.000 0.450 348 P HA -0.279 nan 4.420 nan 0.000 0.215 348 P C 1.056 178.323 177.300 -0.054 0.000 1.157 348 P CA 1.400 64.453 63.100 -0.078 0.000 0.874 348 P CB 0.083 31.774 31.700 -0.016 0.000 0.790 349 E N -0.504 119.675 120.200 -0.035 0.000 2.033 349 E HA -0.202 2.152 4.350 -3.327 0.000 0.199 349 E C 1.722 178.298 176.600 -0.040 0.000 1.011 349 E CA 1.979 58.367 56.400 -0.019 0.000 0.815 349 E CB -2.124 27.573 29.700 -0.005 0.000 0.755 349 E HN 0.155 nan 8.360 nan 0.000 0.451 350 T N 1.983 116.495 114.554 -0.069 0.000 2.570 350 T HA -0.189 2.165 4.350 -3.327 0.000 0.266 350 T C 2.120 176.743 174.700 -0.129 0.000 1.071 350 T CA 2.594 64.637 62.100 -0.094 0.000 1.172 350 T CB -0.645 68.149 68.868 -0.123 0.000 0.864 350 T HN 0.496 nan 8.240 nan 0.000 0.421 351 A N 0.765 123.447 122.820 -0.231 0.000 1.877 351 A HA 0.012 2.336 4.320 -3.327 0.000 0.216 351 A C 2.220 179.770 177.584 -0.057 0.000 1.186 351 A CA 1.357 53.162 52.037 -0.386 0.000 0.620 351 A CB -0.854 17.662 19.000 -0.806 0.000 0.822 351 A HN 0.380 nan 8.150 nan 0.000 0.443 352 L N -0.615 120.625 121.223 0.029 0.000 2.376 352 L HA 0.018 2.362 4.340 -3.327 0.000 0.219 352 L C 2.634 179.562 176.870 0.096 0.000 1.133 352 L CA 1.333 56.257 54.840 0.140 0.000 0.816 352 L CB -0.402 41.721 42.059 0.106 0.000 0.933 352 L HN 0.390 nan 8.230 nan 0.000 0.449 353 A N -2.077 120.771 122.820 0.047 0.000 2.208 353 A HA -0.048 2.276 4.320 -3.327 0.000 0.209 353 A C 0.926 178.537 177.584 0.045 0.000 1.161 353 A CA 0.184 52.244 52.037 0.038 0.000 0.782 353 A CB -0.323 18.686 19.000 0.015 0.000 0.816 353 A HN 0.241 nan 8.150 nan 0.000 0.477 354 D N -0.008 120.430 120.400 0.064 0.000 2.380 354 D HA 0.264 2.908 4.640 -3.327 0.000 0.230 354 D C -1.819 174.548 176.300 0.113 0.000 1.154 354 D CA -1.996 52.046 54.000 0.069 0.000 0.859 354 D CB 1.338 42.165 40.800 0.044 0.000 1.045 354 D HN -0.009 nan 8.370 nan 0.000 0.495 355 P HA -0.192 nan 4.420 nan 0.000 0.217 355 P C 1.181 178.530 177.300 0.083 0.000 1.148 355 P CA 1.167 64.307 63.100 0.067 0.000 0.834 355 P CB 0.416 32.141 31.700 0.041 0.000 0.783 356 Q N -1.873 117.982 119.800 0.092 0.000 2.083 356 Q HA -0.101 2.242 4.340 -3.327 0.000 0.198 356 Q C 2.097 178.199 176.000 0.169 0.000 0.969 356 Q CA 1.129 56.992 55.803 0.099 0.000 0.838 356 Q CB -1.384 27.392 28.738 0.063 0.000 0.900 356 Q HN 0.292 nan 8.270 nan 0.000 0.436 357 F N 1.394 121.362 119.950 0.030 0.000 2.051 357 F HA -0.176 2.355 4.527 -3.327 0.000 0.296 357 F C 2.200 178.102 175.800 0.171 0.000 1.122 357 F CA 0.978 59.024 58.000 0.076 0.000 1.201 357 F CB -0.391 38.615 39.000 0.010 0.000 0.978 357 F HN -0.179 nan 8.300 nan 0.000 0.472 358 V N 0.468 120.460 119.914 0.129 0.000 2.568 358 V HA -0.313 1.811 4.120 -3.327 0.000 0.253 358 V C 2.622 178.700 176.094 -0.028 0.000 1.072 358 V CA 1.652 63.960 62.300 0.013 0.000 1.084 358 V CB -1.628 30.235 31.823 0.068 0.000 0.676 358 V HN 0.490 nan 8.190 nan 0.000 0.469 359 A N -1.124 121.711 122.820 0.024 0.000 1.968 359 A HA -0.230 2.094 4.320 -3.327 0.000 0.217 359 A C 1.923 179.513 177.584 0.010 0.000 1.169 359 A CA 1.517 53.562 52.037 0.014 0.000 0.638 359 A CB -0.713 18.312 19.000 0.042 0.000 0.812 359 A HN 0.742 nan 8.150 nan 0.000 0.446 360 W N 0.733 121.934 121.300 -0.165 0.000 2.381 360 W HA -0.088 2.576 4.660 -3.327 0.000 0.301 360 W C 1.615 177.987 176.519 -0.244 0.000 1.205 360 W CA 1.627 58.859 57.345 -0.188 0.000 1.285 360 W CB -0.314 29.024 29.460 -0.203 0.000 1.133 360 W HN 0.232 nan 8.180 nan 0.000 0.521 361 L N 0.579 121.594 121.223 -0.346 0.000 2.043 361 L HA -0.178 2.166 4.340 -3.327 0.000 0.212 361 L C 2.608 179.251 176.870 -0.378 0.000 1.075 361 L CA 1.738 56.289 54.840 -0.481 0.000 0.752 361 L CB -1.458 40.401 42.059 -0.333 0.000 0.891 361 L HN 0.263 nan 8.230 nan 0.000 0.432 362 G N -1.769 106.883 108.800 -0.247 0.000 2.623 362 G HA2 -0.155 1.809 3.960 -3.327 0.000 0.214 362 G HA3 -0.155 1.809 3.960 -3.327 0.000 0.214 362 G C 0.455 175.246 174.900 -0.182 0.000 1.138 362 G CA -0.128 44.862 45.100 -0.184 0.000 0.794 362 G HN 0.230 nan 8.290 nan 0.000 0.535 363 D N 0.591 120.862 120.400 -0.215 0.000 2.338 363 D HA 0.095 2.739 4.640 -3.327 0.000 0.255 363 D C 1.131 177.307 176.300 -0.207 0.000 1.237 363 D CA -0.234 53.662 54.000 -0.174 0.000 0.883 363 D CB 1.302 42.023 40.800 -0.133 0.000 1.087 363 D HN 0.162 nan 8.370 nan 0.000 0.485 364 E N 1.788 121.901 120.200 -0.144 0.000 2.204 364 E HA -0.146 2.207 4.350 -3.327 0.000 0.194 364 E C 1.653 178.188 176.600 -0.108 0.000 0.989 364 E CA 1.449 57.772 56.400 -0.129 0.000 0.824 364 E CB 0.159 29.805 29.700 -0.091 0.000 0.756 364 E HN 0.615 nan 8.360 nan 0.000 0.477 365 T N -1.204 113.298 114.554 -0.087 0.000 2.962 365 T HA -0.036 2.318 4.350 -3.327 0.000 0.270 365 T C 0.615 175.283 174.700 -0.054 0.000 1.088 365 T CA 0.469 62.537 62.100 -0.053 0.000 1.127 365 T CB -0.024 68.828 68.868 -0.027 0.000 0.883 365 T HN -0.152 nan 8.240 nan 0.000 0.493 366 K N 2.644 122.972 120.400 -0.121 0.000 2.273 366 K HA 0.339 2.663 4.320 -3.327 0.000 0.287 366 K C -0.252 176.232 176.600 -0.193 0.000 1.089 366 K CA -0.298 55.904 56.287 -0.142 0.000 0.909 366 K CB 0.841 33.137 32.500 -0.340 0.000 1.123 366 K HN 0.182 nan 8.250 nan 0.000 0.473 367 K N 2.963 123.334 120.400 -0.049 0.000 2.234 367 K HA 0.271 2.595 4.320 -3.327 0.000 0.282 367 K C -0.062 176.555 176.600 0.028 0.000 1.039 367 K CA -0.349 55.923 56.287 -0.025 0.000 0.928 367 K CB 1.051 33.566 32.500 0.025 0.000 1.039 367 K HN 0.371 nan 8.250 nan 0.000 0.470 368 K N 1.060 121.456 120.400 -0.006 0.000 2.397 368 K HA 0.368 2.692 4.320 -3.327 0.000 0.253 368 K C -0.704 175.967 176.600 0.119 0.000 0.932 368 K CA -0.582 55.742 56.287 0.062 0.000 0.795 368 K CB 1.940 34.395 32.500 -0.076 0.000 1.159 368 K HN 0.361 nan 8.250 nan 0.000 0.424 369 S N 3.096 118.921 115.700 0.207 0.000 2.489 369 S HA 0.587 3.061 4.470 -3.327 0.000 0.291 369 S C -0.405 174.340 174.600 0.242 0.000 1.151 369 S CA -0.736 57.628 58.200 0.273 0.000 1.082 369 S CB 0.676 64.033 63.200 0.262 0.000 1.019 369 S HN 0.488 nan 8.310 nan 0.000 0.492 370 M N 2.067 121.796 119.600 0.216 0.000 2.644 370 M HA 0.464 2.947 4.480 -3.327 0.000 0.273 370 M C -1.907 174.467 176.300 0.124 0.000 1.253 370 M CA -0.581 54.806 55.300 0.145 0.000 0.852 370 M CB 2.439 35.077 32.600 0.062 0.000 1.708 370 M HN 0.688 nan 8.290 nan 0.000 0.471 371 F N 2.268 122.208 119.950 -0.017 0.000 2.402 371 F HA 0.362 2.893 4.527 -3.327 0.000 0.355 371 F C -0.116 175.647 175.800 -0.062 0.000 1.123 371 F CA -0.158 57.808 58.000 -0.056 0.000 1.021 371 F CB 0.652 39.628 39.000 -0.040 0.000 1.160 371 F HN 0.674 nan 8.300 nan 0.000 0.451 372 D N 3.640 123.758 120.400 -0.469 0.000 3.133 372 D HA -0.210 2.433 4.640 -3.327 0.000 0.239 372 D C 0.651 176.851 176.300 -0.166 0.000 1.136 372 D CA 0.950 54.758 54.000 -0.320 0.000 0.898 372 D CB -0.621 40.057 40.800 -0.204 0.000 0.959 372 D HN 0.614 nan 8.370 nan 0.000 0.415 373 S N 1.627 117.224 115.700 -0.172 0.000 2.453 373 S HA -0.131 2.343 4.470 -3.327 0.000 0.231 373 S C 1.808 176.309 174.600 -0.165 0.000 1.005 373 S CA 1.019 59.139 58.200 -0.133 0.000 0.949 373 S CB 0.205 63.334 63.200 -0.118 0.000 0.774 373 S HN 0.541 nan 8.310 nan 0.000 0.510 374 K N 1.892 122.180 120.400 -0.187 0.000 2.057 374 K HA -0.082 2.241 4.320 -3.327 0.000 0.207 374 K C 2.509 178.864 176.600 -0.409 0.000 1.049 374 K CA 1.142 57.310 56.287 -0.198 0.000 0.931 374 K CB -0.196 32.234 32.500 -0.117 0.000 0.714 374 K HN 0.387 nan 8.250 nan 0.000 0.440 375 R N 0.256 120.412 120.500 -0.573 0.000 2.083 375 R HA -0.173 2.170 4.340 -3.327 0.000 0.237 375 R C 2.080 178.042 176.300 -0.565 0.000 1.137 375 R CA 1.632 57.117 56.100 -1.025 0.000 0.951 375 R CB -0.381 29.597 30.300 -0.538 0.000 0.851 375 R HN 0.270 nan 8.270 nan 0.000 0.434 376 A N 0.726 123.378 122.820 -0.281 0.000 1.858 376 A HA -0.073 2.250 4.320 -3.327 0.000 0.216 376 A C 2.421 179.932 177.584 -0.121 0.000 1.190 376 A CA 1.690 53.643 52.037 -0.139 0.000 0.617 376 A CB -0.947 18.008 19.000 -0.075 0.000 0.827 376 A HN 0.572 nan 8.150 nan 0.000 0.443 377 A N -0.579 122.156 122.820 -0.143 0.000 1.877 377 A HA -0.020 2.304 4.320 -3.327 0.000 0.216 377 A C 2.263 179.792 177.584 -0.090 0.000 1.186 377 A CA 1.920 53.887 52.037 -0.116 0.000 0.620 377 A CB -1.080 17.850 19.000 -0.116 0.000 0.822 377 A HN 0.406 nan 8.150 nan 0.000 0.443 378 V N -0.048 119.826 119.914 -0.067 0.000 2.261 378 V HA -0.271 1.852 4.120 -3.327 0.000 0.246 378 V C 3.088 179.334 176.094 0.252 0.000 1.047 378 V CA 2.041 64.421 62.300 0.134 0.000 1.015 378 V CB -1.362 30.658 31.823 0.328 0.000 0.642 378 V HN 0.631 nan 8.190 nan 0.000 0.446 379 A N -0.373 122.524 122.820 0.129 0.000 1.948 379 A HA -0.216 2.108 4.320 -3.327 0.000 0.220 379 A C 2.204 179.888 177.584 0.167 0.000 1.177 379 A CA 2.109 54.246 52.037 0.167 0.000 0.636 379 A CB -0.568 18.463 19.000 0.052 0.000 0.815 379 A HN 0.541 nan 8.150 nan 0.000 0.449 380 L N -1.244 120.021 121.223 0.070 0.000 2.179 380 L HA -0.105 2.238 4.340 -3.327 0.000 0.208 380 L C 2.499 179.359 176.870 -0.017 0.000 1.096 380 L CA 1.161 56.022 54.840 0.034 0.000 0.779 380 L CB -0.363 41.687 42.059 -0.015 0.000 0.922 380 L HN 0.314 nan 8.230 nan 0.000 0.443 381 K N -0.380 119.942 120.400 -0.130 0.000 2.074 381 K HA -0.225 2.098 4.320 -3.327 0.000 0.209 381 K C 1.880 178.301 176.600 -0.299 0.000 1.048 381 K CA 1.879 57.882 56.287 -0.474 0.000 0.926 381 K CB -0.286 31.578 32.500 -1.059 0.000 0.713 381 K HN 0.278 nan 8.250 nan 0.000 0.444 382 W N 1.308 122.617 121.300 0.015 0.000 2.525 382 W HA -0.083 2.580 4.660 -3.328 0.000 0.259 382 W C 1.197 177.791 176.519 0.125 0.000 1.253 382 W CA 0.731 58.224 57.345 0.246 0.000 1.262 382 W CB 0.208 29.811 29.460 0.239 0.000 1.122 382 W HN -0.043 nan 8.180 nan 0.000 0.607 383 K N -0.290 120.252 120.400 0.238 0.000 2.440 383 K HA 0.284 2.607 4.320 -3.327 0.000 0.206 383 K C 1.195 177.841 176.600 0.077 0.000 1.025 383 K CA 0.472 56.849 56.287 0.150 0.000 1.135 383 K CB 0.447 33.022 32.500 0.124 0.000 0.856 383 K HN 0.018 nan 8.250 nan 0.000 0.502 384 G N 1.974 110.797 108.800 0.039 0.000 2.203 384 G HA2 -0.267 1.696 3.960 -3.327 0.000 0.263 384 G HA3 -0.267 1.696 3.960 -3.327 0.000 0.263 384 G C -0.101 174.782 174.900 -0.028 0.000 1.012 384 G CA 0.192 45.289 45.100 -0.004 0.000 0.749 384 G HN 0.246 nan 8.290 nan 0.000 0.512 385 I N 0.553 121.098 120.570 -0.042 0.000 2.441 385 I HA 0.446 2.620 4.170 -3.327 0.000 0.295 385 I C -0.192 175.865 176.117 -0.099 0.000 0.994 385 I CA -0.934 60.337 61.300 -0.049 0.000 1.144 385 I CB 1.669 39.662 38.000 -0.013 0.000 1.314 385 I HN -0.025 nan 8.210 nan 0.000 0.445 386 E N 5.703 125.840 120.200 -0.104 0.000 2.197 386 E HA 0.400 2.753 4.350 -3.327 0.000 0.281 386 E C -1.022 175.496 176.600 -0.136 0.000 0.995 386 E CA -0.892 55.431 56.400 -0.128 0.000 0.808 386 E CB 2.179 31.809 29.700 -0.116 0.000 1.093 386 E HN 0.275 nan 8.360 nan 0.000 0.394 387 L N 3.611 124.748 121.223 -0.144 0.000 2.287 387 L HA 0.367 2.711 4.340 -3.327 0.000 0.287 387 L C -1.093 175.676 176.870 -0.169 0.000 1.022 387 L CA -0.283 54.457 54.840 -0.166 0.000 0.814 387 L CB 0.520 42.494 42.059 -0.141 0.000 1.217 387 L HN 0.595 nan 8.230 nan 0.000 0.420 388 C N 2.039 121.216 119.300 -0.206 0.000 3.108 388 C HA 0.876 3.339 4.460 -3.327 0.000 0.321 388 C C 1.201 176.055 174.990 -0.226 0.000 1.357 388 C CA -0.138 58.770 59.018 -0.183 0.000 1.562 388 C CB 1.181 28.826 27.740 -0.157 0.000 2.003 388 C HN 1.106 nan 8.230 nan 0.000 0.460 389 G N -0.267 108.429 108.800 -0.173 0.000 2.176 389 G HA2 -0.191 1.773 3.960 -3.327 0.000 0.253 389 G HA3 -0.191 1.773 3.960 -3.327 0.000 0.253 389 G C -0.083 174.742 174.900 -0.126 0.000 0.979 389 G CA 0.226 45.225 45.100 -0.167 0.000 0.641 389 G HN 1.058 nan 8.290 nan 0.000 0.530 390 V N 2.405 122.251 119.914 -0.113 0.000 2.400 390 V HA 0.369 2.493 4.120 -3.327 0.000 0.263 390 V C 1.604 177.682 176.094 -0.028 0.000 1.026 390 V CA 1.172 63.432 62.300 -0.065 0.000 1.077 390 V CB 0.749 32.526 31.823 -0.076 0.000 1.054 390 V HN 0.862 nan 8.190 nan 0.000 0.477 391 S N 3.747 119.460 115.700 0.022 0.000 2.524 391 S HA 0.262 2.735 4.470 -3.327 0.000 0.215 391 S C -0.077 174.608 174.600 0.143 0.000 0.986 391 S CA -0.159 58.073 58.200 0.054 0.000 0.911 391 S CB 0.069 63.301 63.200 0.054 0.000 0.805 391 S HN 0.593 nan 8.310 nan 0.000 0.501 392 F N 1.822 121.753 119.950 -0.032 0.000 2.607 392 F HA 0.519 3.049 4.527 -3.327 0.000 0.322 392 F C -2.003 173.771 175.800 -0.043 0.000 1.176 392 F CA -0.806 57.175 58.000 -0.032 0.000 0.977 392 F CB 1.675 40.659 39.000 -0.026 0.000 1.242 392 F HN -0.028 nan 8.300 nan 0.000 0.465 393 D N 6.332 126.330 120.400 -0.670 0.000 2.453 393 D HA 0.151 2.794 4.640 -3.327 0.000 0.238 393 D C 0.563 176.344 176.300 -0.867 0.000 1.088 393 D CA -0.358 53.307 54.000 -0.559 0.000 0.854 393 D CB 1.638 42.224 40.800 -0.357 0.000 1.076 393 D HN 0.651 nan 8.370 nan 0.000 0.533 394 L N 5.394 126.216 121.223 -0.669 0.000 2.083 394 L HA -0.078 2.266 4.340 -3.327 0.000 0.209 394 L C 1.829 178.456 176.870 -0.404 0.000 1.083 394 L CA 1.560 56.112 54.840 -0.481 0.000 0.752 394 L CB -0.824 41.240 42.059 0.009 0.000 0.899 394 L HN 0.552 nan 8.230 nan 0.000 0.433 395 L N -0.643 120.177 121.223 -0.671 0.000 2.013 395 L HA -0.224 2.119 4.340 -3.327 0.000 0.212 395 L C 2.283 178.944 176.870 -0.348 0.000 1.073 395 L CA 2.041 56.396 54.840 -0.808 0.000 0.753 395 L CB -0.698 40.577 42.059 -1.306 0.000 0.890 395 L HN 0.325 nan 8.230 nan 0.000 0.432 396 L N -0.791 120.229 121.223 -0.338 0.000 2.156 396 L HA -0.090 2.253 4.340 -3.327 0.000 0.208 396 L C 2.625 179.474 176.870 -0.036 0.000 1.095 396 L CA 0.885 55.633 54.840 -0.154 0.000 0.770 396 L CB -0.845 41.103 42.059 -0.185 0.000 0.914 396 L HN 0.400 nan 8.230 nan 0.000 0.439 397 A N 0.104 122.827 122.820 -0.162 0.000 1.897 397 A HA -0.077 2.246 4.320 -3.327 0.000 0.215 397 A C 2.548 180.279 177.584 0.246 0.000 1.181 397 A CA 1.448 53.485 52.037 0.001 0.000 0.620 397 A CB -0.559 18.369 19.000 -0.120 0.000 0.821 397 A HN 0.357 nan 8.150 nan 0.000 0.443 398 A N -1.274 121.687 122.820 0.234 0.000 1.902 398 A HA -0.131 2.193 4.320 -3.327 0.000 0.217 398 A C 2.137 179.881 177.584 0.266 0.000 1.181 398 A CA 1.676 53.958 52.037 0.408 0.000 0.623 398 A CB -0.870 18.332 19.000 0.336 0.000 0.818 398 A HN 0.760 nan 8.150 nan 0.000 0.443 399 Y N 0.514 120.858 120.300 0.074 0.000 2.224 399 Y HA -0.155 2.398 4.550 -3.328 0.000 0.289 399 Y C 1.870 177.802 175.900 0.052 0.000 1.146 399 Y CA 1.807 59.936 58.100 0.048 0.000 1.182 399 Y CB -0.242 38.215 38.460 -0.004 0.000 0.983 399 Y HN 0.215 nan 8.280 nan 0.000 0.524 400 L N -0.668 120.555 121.223 0.000 0.000 2.109 400 L HA -0.197 2.146 4.340 -3.327 0.000 0.207 400 L C 2.379 179.196 176.870 -0.088 0.000 1.086 400 L CA 0.883 55.661 54.840 -0.104 0.000 0.760 400 L CB -0.470 41.604 42.059 0.025 0.000 0.910 400 L HN 0.301 nan 8.230 nan 0.000 0.437 401 L N -0.859 120.371 121.223 0.011 0.000 2.109 401 L HA -0.073 2.270 4.340 -3.327 0.000 0.207 401 L C 0.250 177.169 176.870 0.081 0.000 1.086 401 L CA 0.894 55.751 54.840 0.029 0.000 0.760 401 L CB 0.010 42.087 42.059 0.030 0.000 0.910 401 L HN 0.244 nan 8.230 nan 0.000 0.437 402 D N -1.996 118.434 120.400 0.050 0.000 2.362 402 D HA 0.140 2.783 4.640 -3.327 0.000 0.232 402 D C -2.124 174.184 176.300 0.013 0.000 1.329 402 D CA -1.214 52.842 54.000 0.092 0.000 0.944 402 D CB 1.180 42.043 40.800 0.104 0.000 1.471 402 D HN -0.237 nan 8.370 nan 0.000 0.533 403 P HA -0.020 nan 4.420 nan 0.000 0.225 403 P C 1.128 178.456 177.300 0.048 0.000 1.148 403 P CA 0.838 63.875 63.100 -0.104 0.000 0.779 403 P CB 0.315 31.867 31.700 -0.246 0.000 0.780 404 A N -0.008 122.844 122.820 0.053 0.000 1.898 404 A HA -0.203 2.120 4.320 -3.327 0.000 0.216 404 A C 2.175 179.803 177.584 0.073 0.000 1.181 404 A CA 1.229 53.304 52.037 0.062 0.000 0.620 404 A CB -1.237 17.798 19.000 0.059 0.000 0.819 404 A HN 0.054 nan 8.150 nan 0.000 0.442 405 Q N -0.870 118.976 119.800 0.076 0.000 2.449 405 Q HA -0.103 2.240 4.340 -3.327 0.000 0.214 405 Q C 1.339 177.403 176.000 0.106 0.000 0.986 405 Q CA 0.983 56.836 55.803 0.083 0.000 0.893 405 Q CB -0.984 27.808 28.738 0.090 0.000 0.940 405 Q HN 1.050 nan 8.270 nan 0.000 0.477 406 G N 0.574 109.449 108.800 0.125 0.000 2.273 406 G HA2 -0.282 1.681 3.960 -3.327 0.000 0.280 406 G HA3 -0.282 1.681 3.960 -3.327 0.000 0.280 406 G C 0.150 175.143 174.900 0.155 0.000 1.047 406 G CA 0.333 45.515 45.100 0.136 0.000 0.869 406 G HN 0.237 nan 8.290 nan 0.000 0.502 407 V N 1.273 121.298 119.914 0.186 0.000 2.539 407 V HA 0.212 2.335 4.120 -3.327 0.000 0.300 407 V C 1.196 177.433 176.094 0.238 0.000 1.019 407 V CA 1.269 63.701 62.300 0.220 0.000 1.160 407 V CB 0.865 32.846 31.823 0.263 0.000 0.901 407 V HN 0.664 nan 8.190 nan 0.000 0.481 408 D N 1.912 122.459 120.400 0.245 0.000 2.539 408 D HA 0.149 2.793 4.640 -3.327 0.000 0.232 408 D C -0.141 176.351 176.300 0.319 0.000 1.256 408 D CA -0.129 54.030 54.000 0.264 0.000 0.810 408 D CB 0.665 41.566 40.800 0.169 0.000 1.090 408 D HN 0.672 nan 8.370 nan 0.000 0.519 409 D N -1.372 119.174 120.400 0.243 0.000 2.653 409 D HA 0.050 2.694 4.640 -3.327 0.000 0.258 409 D C 0.891 176.865 176.300 -0.544 0.000 1.252 409 D CA -0.777 53.120 54.000 -0.171 0.000 0.777 409 D CB 1.448 42.217 40.800 -0.053 0.000 1.339 409 D HN -0.250 nan 8.370 nan 0.000 0.422 410 V N 0.758 120.063 119.914 -1.016 0.000 2.332 410 V HA -0.229 1.895 4.120 -3.327 0.000 0.248 410 V C 2.632 178.597 176.094 -0.216 0.000 1.055 410 V CA 2.938 64.827 62.300 -0.685 0.000 1.038 410 V CB -1.086 30.402 31.823 -0.557 0.000 0.651 410 V HN 0.796 nan 8.190 nan 0.000 0.450 411 A N -0.072 122.681 122.820 -0.112 0.000 1.883 411 A HA -0.207 2.116 4.320 -3.327 0.000 0.217 411 A C 2.447 180.065 177.584 0.056 0.000 1.186 411 A CA 2.445 54.493 52.037 0.017 0.000 0.624 411 A CB -0.896 18.133 19.000 0.048 0.000 0.822 411 A HN 0.603 nan 8.150 nan 0.000 0.444 412 A N -0.249 122.604 122.820 0.055 0.000 1.858 412 A HA 0.139 2.463 4.320 -3.327 0.000 0.216 412 A C 2.558 180.230 177.584 0.148 0.000 1.190 412 A CA 2.353 54.452 52.037 0.103 0.000 0.617 412 A CB -1.189 17.882 19.000 0.119 0.000 0.827 412 A HN 1.181 nan 8.150 nan 0.000 0.443 413 A N -0.197 122.723 122.820 0.167 0.000 1.940 413 A HA 0.103 2.427 4.320 -3.327 0.000 0.219 413 A C 2.500 180.241 177.584 0.261 0.000 1.176 413 A CA 2.298 54.484 52.037 0.249 0.000 0.631 413 A CB -1.026 18.109 19.000 0.225 0.000 0.814 413 A HN 1.105 nan 8.150 nan 0.000 0.446 414 A N -0.461 122.446 122.820 0.144 0.000 1.902 414 A HA -0.166 2.157 4.320 -3.327 0.000 0.217 414 A C 2.115 179.837 177.584 0.230 0.000 1.181 414 A CA 1.916 54.049 52.037 0.161 0.000 0.623 414 A CB -0.455 18.620 19.000 0.125 0.000 0.818 414 A HN 0.520 nan 8.150 nan 0.000 0.443 415 K N -1.067 119.443 120.400 0.183 0.000 2.103 415 K HA -0.105 2.218 4.320 -3.327 0.000 0.207 415 K C 2.024 178.703 176.600 0.131 0.000 1.048 415 K CA 1.616 57.992 56.287 0.148 0.000 0.930 415 K CB -0.282 32.283 32.500 0.108 0.000 0.716 415 K HN 0.508 nan 8.250 nan 0.000 0.444 416 M N 0.483 120.173 119.600 0.151 0.000 2.192 416 M HA -0.240 2.243 4.480 -3.327 0.000 0.256 416 M C 0.905 177.229 176.300 0.039 0.000 1.076 416 M CA 1.607 56.964 55.300 0.095 0.000 1.075 416 M CB 0.095 32.782 32.600 0.144 0.000 1.368 416 M HN -0.070 nan 8.290 nan 0.000 0.406 417 K N 0.203 120.663 120.400 0.101 0.000 2.514 417 K HA 0.124 2.448 4.320 -3.327 0.000 0.207 417 K C -0.196 176.474 176.600 0.117 0.000 1.035 417 K CA 0.105 56.433 56.287 0.069 0.000 1.113 417 K CB 0.866 33.422 32.500 0.094 0.000 0.846 417 K HN 0.277 nan 8.250 nan 0.000 0.491 418 Q N -0.667 119.203 119.800 0.117 0.000 2.481 418 Q HA -0.248 2.095 4.340 -3.327 0.000 0.283 418 Q C -0.871 175.221 176.000 0.153 0.000 1.292 418 Q CA 0.901 56.767 55.803 0.103 0.000 0.819 418 Q CB -3.027 25.745 28.738 0.057 0.000 1.202 418 Q HN 0.463 nan 8.270 nan 0.000 0.446 419 Y N 0.075 120.411 120.300 0.061 0.000 2.350 419 Y HA 0.436 2.990 4.550 -3.327 0.000 0.338 419 Y C 0.438 176.369 175.900 0.051 0.000 0.961 419 Y CA -0.892 57.244 58.100 0.059 0.000 1.100 419 Y CB 1.157 39.665 38.460 0.080 0.000 1.179 419 Y HN 0.092 nan 8.280 nan 0.000 0.454 420 E N 3.768 123.961 120.200 -0.011 0.000 2.876 420 E HA 0.265 2.619 4.350 -3.327 0.000 0.208 420 E C 0.081 176.659 176.600 -0.035 0.000 0.981 420 E CA -0.069 56.362 56.400 0.053 0.000 1.174 420 E CB 0.858 30.568 29.700 0.016 0.000 1.047 420 E HN 0.623 nan 8.360 nan 0.000 0.477 421 A N 1.354 124.034 122.820 -0.233 0.000 2.543 421 A HA 0.314 2.638 4.320 -3.327 0.000 0.258 421 A C 0.083 177.768 177.584 0.168 0.000 1.391 421 A CA 0.057 52.015 52.037 -0.131 0.000 1.066 421 A CB -0.005 18.750 19.000 -0.409 0.000 0.972 421 A HN 0.114 nan 8.150 nan 0.000 0.560 422 V N -0.641 119.381 119.914 0.179 0.000 3.098 422 V HA 0.458 2.582 4.120 -3.327 0.000 0.294 422 V C -1.271 174.902 176.094 0.130 0.000 1.351 422 V CA -1.030 61.367 62.300 0.162 0.000 0.999 422 V CB 2.072 33.992 31.823 0.163 0.000 1.104 422 V HN 0.648 nan 8.190 nan 0.000 0.438 423 R N 4.443 125.039 120.500 0.161 0.000 2.598 423 R HA 0.600 2.944 4.340 -3.327 0.000 0.279 423 R C -2.664 173.709 176.300 0.122 0.000 0.984 423 R CA -1.870 54.291 56.100 0.101 0.000 0.999 423 R CB 1.171 31.473 30.300 0.003 0.000 1.114 423 R HN 0.483 nan 8.270 nan 0.000 0.493 424 P HA 0.004 nan 4.420 nan 0.000 0.267 424 P C -0.397 176.917 177.300 0.022 0.000 1.205 424 P CA 0.078 63.207 63.100 0.048 0.000 0.765 424 P CB 0.585 32.305 31.700 0.032 0.000 0.828 425 D N 2.103 122.566 120.400 0.104 0.000 2.133 425 D HA -0.237 2.407 4.640 -3.327 0.000 0.192 425 D C 1.605 177.971 176.300 0.110 0.000 1.001 425 D CA 1.504 55.610 54.000 0.176 0.000 0.844 425 D CB -0.361 40.642 40.800 0.339 0.000 0.944 425 D HN 0.596 nan 8.370 nan 0.000 0.447 426 E N 0.126 120.389 120.200 0.105 0.000 2.130 426 E HA -0.254 2.099 4.350 -3.327 0.000 0.196 426 E C 1.922 178.524 176.600 0.003 0.000 0.998 426 E CA 1.252 57.698 56.400 0.076 0.000 0.806 426 E CB -0.072 29.664 29.700 0.060 0.000 0.738 426 E HN 0.249 nan 8.360 nan 0.000 0.459 427 A N 0.229 123.021 122.820 -0.047 0.000 1.902 427 A HA -0.129 2.195 4.320 -3.327 0.000 0.217 427 A C 2.357 179.829 177.584 -0.186 0.000 1.181 427 A CA 1.467 53.449 52.037 -0.093 0.000 0.623 427 A CB -0.438 18.510 19.000 -0.086 0.000 0.818 427 A HN 0.241 nan 8.150 nan 0.000 0.443 428 V N -1.993 117.707 119.914 -0.357 0.000 2.379 428 V HA -0.144 1.980 4.120 -3.327 0.000 0.243 428 V C 2.173 178.007 176.094 -0.432 0.000 1.035 428 V CA 1.534 63.492 62.300 -0.569 0.000 1.035 428 V CB -0.739 30.384 31.823 -1.168 0.000 0.673 428 V HN 0.658 nan 8.190 nan 0.000 0.457 429 Y N 0.394 120.628 120.300 -0.110 0.000 2.510 429 Y HA 0.481 3.034 4.550 -3.327 0.000 0.273 429 Y C 1.467 177.347 175.900 -0.034 0.000 1.119 429 Y CA 0.400 58.467 58.100 -0.055 0.000 1.286 429 Y CB -0.225 38.219 38.460 -0.025 0.000 1.061 429 Y HN 0.353 nan 8.280 nan 0.000 0.542 430 G N 1.126 109.975 108.800 0.083 0.000 2.627 430 G HA2 -0.165 1.799 3.960 -3.327 0.000 0.214 430 G HA3 -0.165 1.799 3.960 -3.327 0.000 0.214 430 G C -0.806 174.136 174.900 0.069 0.000 1.331 430 G CA -0.392 44.741 45.100 0.054 0.000 0.891 430 G HN 0.373 nan 8.290 nan 0.000 0.539 431 K N -0.818 119.610 120.400 0.047 0.000 2.523 431 K HA 0.707 3.031 4.320 -3.327 0.000 0.257 431 K C 0.905 177.523 176.600 0.030 0.000 0.932 431 K CA 0.328 56.640 56.287 0.042 0.000 0.812 431 K CB 1.731 34.253 32.500 0.037 0.000 1.326 431 K HN 2.629 nan 8.250 nan 0.000 0.433 432 G N 2.028 110.843 108.800 0.025 0.000 2.591 432 G HA2 -0.457 1.507 3.960 -3.327 0.000 0.298 432 G HA3 -0.457 1.507 3.960 -3.327 0.000 0.298 432 G C 0.995 175.904 174.900 0.015 0.000 1.195 432 G CA 0.992 46.102 45.100 0.017 0.000 0.989 432 G HN 1.278 nan 8.290 nan 0.000 0.551 433 A N -0.593 122.235 122.820 0.013 0.000 2.178 433 A HA 0.123 2.446 4.320 -3.327 0.000 0.218 433 A C 2.113 179.705 177.584 0.014 0.000 1.157 433 A CA 2.433 54.476 52.037 0.011 0.000 0.689 433 A CB -0.289 18.716 19.000 0.009 0.000 0.787 433 A HN 0.491 nan 8.150 nan 0.000 0.465 434 K N -0.441 119.970 120.400 0.018 0.000 2.367 434 K HA 0.107 2.430 4.320 -3.327 0.000 0.194 434 K C 0.670 177.291 176.600 0.034 0.000 1.027 434 K CA -0.125 56.175 56.287 0.022 0.000 1.075 434 K CB -0.094 32.418 32.500 0.019 0.000 0.845 434 K HN 0.453 nan 8.250 nan 0.000 0.529 435 R N 1.321 121.844 120.500 0.038 0.000 2.538 435 R HA 0.166 2.509 4.340 -3.327 0.000 0.282 435 R C -0.716 175.617 176.300 0.055 0.000 1.009 435 R CA 0.442 56.575 56.100 0.055 0.000 1.063 435 R CB 0.199 30.518 30.300 0.032 0.000 0.945 435 R HN 0.151 nan 8.270 nan 0.000 0.414 436 A N 3.211 126.087 122.820 0.094 0.000 2.560 436 A HA 0.240 2.564 4.320 -3.327 0.000 0.300 436 A C -1.180 176.501 177.584 0.162 0.000 1.062 436 A CA -0.838 51.253 52.037 0.089 0.000 0.767 436 A CB 0.982 20.017 19.000 0.058 0.000 1.288 436 A HN 0.449 nan 8.150 nan 0.000 0.396 437 V N 4.433 124.437 119.914 0.149 0.000 2.585 437 V HA 0.298 2.422 4.120 -3.327 0.000 0.296 437 V C -1.017 175.152 176.094 0.125 0.000 1.035 437 V CA -0.171 62.254 62.300 0.208 0.000 1.084 437 V CB 0.269 32.184 31.823 0.153 0.000 0.953 437 V HN 0.897 nan 8.190 nan 0.000 0.483 438 P HA 0.313 nan 4.420 nan 0.000 0.302 438 P C -0.603 176.713 177.300 0.027 0.000 1.307 438 P CA -0.675 62.440 63.100 0.025 0.000 0.754 438 P CB 0.740 32.417 31.700 -0.039 0.000 1.298 439 D N -0.352 120.050 120.400 0.003 0.000 2.360 439 D HA 0.007 2.650 4.640 -3.327 0.000 0.242 439 D C 1.275 177.566 176.300 -0.015 0.000 1.184 439 D CA -0.125 53.877 54.000 0.004 0.000 0.930 439 D CB 0.745 41.543 40.800 -0.004 0.000 1.161 439 D HN 0.461 nan 8.370 nan 0.000 0.447 440 E N 0.366 120.559 120.200 -0.012 0.000 2.130 440 E HA -0.165 2.189 4.350 -3.327 0.000 0.196 440 E C -0.921 175.596 176.600 -0.137 0.000 0.998 440 E CA 1.056 57.420 56.400 -0.059 0.000 0.806 440 E CB -0.329 29.368 29.700 -0.005 0.000 0.738 440 E HN 0.274 nan 8.360 nan 0.000 0.459 441 P HA -0.112 nan 4.420 nan 0.000 0.216 441 P C 1.468 178.734 177.300 -0.056 0.000 1.153 441 P CA 0.868 63.941 63.100 -0.046 0.000 0.844 441 P CB 0.052 31.739 31.700 -0.021 0.000 0.787 442 V N -0.102 119.771 119.914 -0.068 0.000 2.244 442 V HA -0.198 1.926 4.120 -3.327 0.000 0.244 442 V C 2.454 178.485 176.094 -0.105 0.000 1.042 442 V CA 1.426 63.679 62.300 -0.078 0.000 1.006 442 V CB -1.365 30.408 31.823 -0.084 0.000 0.641 442 V HN 0.014 nan 8.190 nan 0.000 0.446 443 L N 1.233 122.391 121.223 -0.107 0.000 1.976 443 L HA -0.252 2.091 4.340 -3.327 0.000 0.223 443 L C 2.506 179.261 176.870 -0.192 0.000 1.081 443 L CA 2.768 57.564 54.840 -0.074 0.000 0.784 443 L CB -1.235 40.823 42.059 -0.002 0.000 0.896 443 L HN 0.269 nan 8.230 nan 0.000 0.438 444 A N -1.347 121.153 122.820 -0.534 0.000 1.948 444 A HA -0.287 2.037 4.320 -3.327 0.000 0.220 444 A C 2.332 179.480 177.584 -0.727 0.000 1.177 444 A CA 2.061 53.499 52.037 -0.998 0.000 0.636 444 A CB -0.762 17.384 19.000 -1.423 0.000 0.815 444 A HN 0.688 nan 8.150 nan 0.000 0.449 445 E N -1.151 118.791 120.200 -0.430 0.000 2.046 445 E HA -0.237 2.117 4.350 -3.327 0.000 0.190 445 E C 1.938 178.420 176.600 -0.197 0.000 0.982 445 E CA 1.367 57.569 56.400 -0.329 0.000 0.800 445 E CB -0.307 29.371 29.700 -0.036 0.000 0.756 445 E HN 0.792 nan 8.360 nan 0.000 0.449 446 H N 0.477 119.427 119.070 -0.200 0.000 2.289 446 H HA -0.148 2.412 4.556 -3.327 0.000 0.296 446 H C 2.043 177.307 175.328 -0.105 0.000 1.091 446 H CA 1.863 57.825 56.048 -0.144 0.000 1.274 446 H CB -0.317 29.340 29.762 -0.176 0.000 1.364 446 H HN 0.097 nan 8.280 nan 0.000 0.490 447 L N -0.442 120.680 121.223 -0.168 0.000 2.083 447 L HA -0.136 2.208 4.340 -3.327 0.000 0.209 447 L C 2.722 179.504 176.870 -0.147 0.000 1.083 447 L CA 1.059 55.817 54.840 -0.136 0.000 0.752 447 L CB -0.670 41.442 42.059 0.088 0.000 0.899 447 L HN 0.216 nan 8.230 nan 0.000 0.433 448 V N -1.040 118.741 119.914 -0.221 0.000 2.548 448 V HA -0.208 1.915 4.120 -3.327 0.000 0.249 448 V C 2.607 178.622 176.094 -0.131 0.000 1.055 448 V CA 1.290 63.463 62.300 -0.213 0.000 1.065 448 V CB -0.509 31.050 31.823 -0.440 0.000 0.681 448 V HN 0.391 nan 8.190 nan 0.000 0.462 449 R N -0.023 120.394 120.500 -0.139 0.000 2.066 449 R HA -0.094 2.249 4.340 -3.327 0.000 0.232 449 R C 2.460 178.726 176.300 -0.058 0.000 1.131 449 R CA 1.209 57.279 56.100 -0.049 0.000 0.955 449 R CB -0.259 30.033 30.300 -0.014 0.000 0.851 449 R HN 0.461 nan 8.270 nan 0.000 0.432 450 K N 0.468 120.761 120.400 -0.179 0.000 2.020 450 K HA -0.163 2.161 4.320 -3.327 0.000 0.212 450 K C 2.204 178.757 176.600 -0.078 0.000 1.050 450 K CA 1.592 57.771 56.287 -0.180 0.000 0.929 450 K CB -0.312 32.025 32.500 -0.272 0.000 0.714 450 K HN 0.141 nan 8.250 nan 0.000 0.443 451 A N 1.700 124.496 122.820 -0.041 0.000 1.892 451 A HA -0.214 2.110 4.320 -3.327 0.000 0.218 451 A C 2.449 180.074 177.584 0.068 0.000 1.188 451 A CA 2.311 54.368 52.037 0.033 0.000 0.631 451 A CB -0.866 18.153 19.000 0.033 0.000 0.822 451 A HN 0.395 nan 8.150 nan 0.000 0.447 452 A N -0.217 122.630 122.820 0.045 0.000 1.883 452 A HA 0.075 2.399 4.320 -3.327 0.000 0.217 452 A C 2.571 180.222 177.584 0.112 0.000 1.186 452 A CA 2.648 54.750 52.037 0.107 0.000 0.624 452 A CB -1.290 17.778 19.000 0.114 0.000 0.822 452 A HN 1.256 nan 8.150 nan 0.000 0.444 453 A N 0.134 122.941 122.820 -0.021 0.000 1.869 453 A HA -0.224 2.100 4.320 -3.327 0.000 0.218 453 A C 2.145 179.602 177.584 -0.212 0.000 1.203 453 A CA 1.907 53.729 52.037 -0.359 0.000 0.638 453 A CB -0.887 17.890 19.000 -0.372 0.000 0.831 453 A HN 0.544 nan 8.150 nan 0.000 0.450 454 I N -1.907 118.632 120.570 -0.051 0.000 2.118 454 I HA -0.338 1.836 4.170 -3.327 0.000 0.241 454 I C 2.563 178.726 176.117 0.076 0.000 1.070 454 I CA 1.953 63.279 61.300 0.043 0.000 1.327 454 I CB -0.486 37.600 38.000 0.143 0.000 1.034 454 I HN 0.740 nan 8.210 nan 0.000 0.405 455 W N 2.057 123.329 121.300 -0.047 0.000 2.321 455 W HA -0.328 2.336 4.660 -3.327 0.000 0.306 455 W C 2.573 179.054 176.519 -0.063 0.000 1.217 455 W CA 2.044 59.365 57.345 -0.039 0.000 1.257 455 W CB -0.074 29.388 29.460 0.003 0.000 1.145 455 W HN 0.208 nan 8.180 nan 0.000 0.509 456 A N 0.501 123.365 122.820 0.074 0.000 1.898 456 A HA -0.152 2.172 4.320 -3.327 0.000 0.216 456 A C 2.072 179.606 177.584 -0.083 0.000 1.181 456 A CA 1.616 53.653 52.037 -0.000 0.000 0.620 456 A CB -1.109 17.943 19.000 0.087 0.000 0.819 456 A HN 0.347 nan 8.150 nan 0.000 0.442 457 L N -0.786 120.373 121.223 -0.106 0.000 2.558 457 L HA 0.021 2.364 4.340 -3.327 0.000 0.225 457 L C 2.247 179.098 176.870 -0.032 0.000 1.128 457 L CA 0.510 55.345 54.840 -0.008 0.000 0.868 457 L CB -0.216 41.828 42.059 -0.025 0.000 1.006 457 L HN 0.579 nan 8.230 nan 0.000 0.454 458 E N 1.018 121.038 120.200 -0.300 0.000 2.017 458 E HA -0.305 2.049 4.350 -3.327 0.000 0.193 458 E C 2.239 178.601 176.600 -0.397 0.000 0.997 458 E CA 1.448 57.426 56.400 -0.704 0.000 0.804 458 E CB 0.135 29.302 29.700 -0.889 0.000 0.757 458 E HN 0.203 nan 8.360 nan 0.000 0.448 459 R N 0.637 120.965 120.500 -0.286 0.000 2.083 459 R HA -0.101 2.243 4.340 -3.327 0.000 0.237 459 R C -0.888 175.380 176.300 -0.054 0.000 1.137 459 R CA 2.158 58.156 56.100 -0.171 0.000 0.951 459 R CB -1.305 28.895 30.300 -0.167 0.000 0.851 459 R HN 0.286 nan 8.270 nan 0.000 0.434 460 P HA -0.126 nan 4.420 nan 0.000 0.216 460 P C 1.072 178.405 177.300 0.055 0.000 1.153 460 P CA 1.316 64.433 63.100 0.027 0.000 0.848 460 P CB -0.188 31.543 31.700 0.051 0.000 0.787 461 F N -0.376 119.581 119.950 0.013 0.000 2.113 461 F HA -0.082 2.449 4.527 -3.328 0.000 0.297 461 F C 2.608 178.471 175.800 0.104 0.000 1.103 461 F CA 1.219 59.280 58.000 0.101 0.000 1.248 461 F CB -1.216 37.936 39.000 0.253 0.000 0.999 461 F HN -0.248 nan 8.300 nan 0.000 0.475 462 L N -0.438 120.940 121.223 0.259 0.000 2.083 462 L HA -0.233 2.110 4.340 -3.327 0.000 0.209 462 L C 2.023 178.940 176.870 0.079 0.000 1.083 462 L CA 1.200 56.146 54.840 0.176 0.000 0.752 462 L CB -0.596 41.510 42.059 0.078 0.000 0.899 462 L HN 0.102 nan 8.230 nan 0.000 0.433 463 D N -0.283 120.137 120.400 0.032 0.000 2.097 463 D HA -0.239 2.405 4.640 -3.327 0.000 0.195 463 D C 1.928 178.223 176.300 -0.008 0.000 0.989 463 D CA 1.310 55.310 54.000 0.001 0.000 0.827 463 D CB -0.017 40.773 40.800 -0.018 0.000 0.966 463 D HN 0.365 nan 8.370 nan 0.000 0.456 464 E N 0.555 120.740 120.200 -0.025 0.000 2.023 464 E HA -0.177 2.177 4.350 -3.327 0.000 0.196 464 E C 2.391 178.974 176.600 -0.028 0.000 1.003 464 E CA 0.738 57.106 56.400 -0.054 0.000 0.809 464 E CB -0.268 29.358 29.700 -0.122 0.000 0.755 464 E HN 0.144 nan 8.360 nan 0.000 0.449 465 L N 0.432 121.661 121.223 0.011 0.000 2.030 465 L HA -0.325 2.019 4.340 -3.327 0.000 0.222 465 L C 2.976 179.850 176.870 0.007 0.000 1.082 465 L CA 2.202 57.059 54.840 0.029 0.000 0.785 465 L CB -0.553 41.560 42.059 0.090 0.000 0.895 465 L HN 0.217 nan 8.230 nan 0.000 0.439 466 R N -0.115 120.394 120.500 0.014 0.000 2.083 466 R HA -0.181 2.163 4.340 -3.327 0.000 0.237 466 R C 2.470 178.758 176.300 -0.021 0.000 1.137 466 R CA 1.528 57.629 56.100 0.001 0.000 0.951 466 R CB -0.151 30.153 30.300 0.006 0.000 0.851 466 R HN 0.231 nan 8.270 nan 0.000 0.434 467 R N 0.002 120.487 120.500 -0.026 0.000 2.094 467 R HA -0.118 2.225 4.340 -3.327 0.000 0.239 467 R C 1.709 177.977 176.300 -0.054 0.000 1.137 467 R CA 1.803 57.882 56.100 -0.035 0.000 0.943 467 R CB -0.489 29.790 30.300 -0.035 0.000 0.850 467 R HN 0.305 nan 8.270 nan 0.000 0.433 468 N N 0.877 119.536 118.700 -0.069 0.000 2.609 468 N HA -0.085 2.659 4.740 -3.327 0.000 0.190 468 N C -0.459 174.968 175.510 -0.138 0.000 1.157 468 N CA 0.599 53.584 53.050 -0.109 0.000 0.918 468 N CB 0.019 38.435 38.487 -0.118 0.000 0.978 468 N HN 0.232 nan 8.380 nan 0.000 0.448 469 E N -1.123 119.013 120.200 -0.107 0.000 2.553 469 E HA -0.257 2.097 4.350 -3.327 0.000 0.264 469 E C -0.130 176.428 176.600 -0.069 0.000 1.068 469 E CA 0.308 56.630 56.400 -0.129 0.000 0.774 469 E CB -1.510 28.022 29.700 -0.279 0.000 1.349 469 E HN 0.487 nan 8.360 nan 0.000 0.404 470 Q N -0.685 119.107 119.800 -0.013 0.000 2.171 470 Q HA -0.006 2.337 4.340 -3.327 0.000 0.218 470 Q C 1.224 177.255 176.000 0.053 0.000 0.822 470 Q CA 0.301 56.127 55.803 0.039 0.000 0.987 470 Q CB 0.551 29.297 28.738 0.015 0.000 1.144 470 Q HN 0.404 nan 8.270 nan 0.000 0.494 471 D N 1.149 121.578 120.400 0.047 0.000 2.117 471 D HA -0.218 2.426 4.640 -3.327 0.000 0.197 471 D C 1.527 177.861 176.300 0.056 0.000 0.987 471 D CA 1.033 55.068 54.000 0.057 0.000 0.829 471 D CB -0.071 40.758 40.800 0.048 0.000 0.961 471 D HN 0.198 nan 8.370 nan 0.000 0.460 472 R N -0.063 120.470 120.500 0.055 0.000 2.073 472 R HA 0.012 2.356 4.340 -3.327 0.000 0.229 472 R C 2.605 178.930 176.300 0.042 0.000 1.120 472 R CA 0.469 56.597 56.100 0.047 0.000 0.967 472 R CB -0.597 29.734 30.300 0.051 0.000 0.862 472 R HN 0.147 nan 8.270 nan 0.000 0.436 473 L N 1.432 122.688 121.223 0.057 0.000 2.089 473 L HA -0.194 2.150 4.340 -3.327 0.000 0.213 473 L C 2.044 178.933 176.870 0.032 0.000 1.079 473 L CA 1.545 56.412 54.840 0.046 0.000 0.758 473 L CB -0.434 41.664 42.059 0.065 0.000 0.891 473 L HN 0.149 nan 8.230 nan 0.000 0.433 474 L N -1.738 119.505 121.223 0.035 0.000 2.034 474 L HA -0.055 2.288 4.340 -3.327 0.000 0.203 474 L C 2.282 179.153 176.870 0.001 0.000 1.074 474 L CA 1.653 56.502 54.840 0.015 0.000 0.748 474 L CB -0.592 41.481 42.059 0.023 0.000 0.905 474 L HN 0.030 nan 8.230 nan 0.000 0.439 475 V N -0.648 119.277 119.914 0.018 0.000 2.871 475 V HA -0.134 1.990 4.120 -3.327 0.000 0.256 475 V C 2.079 178.174 176.094 0.002 0.000 1.082 475 V CA 1.626 63.934 62.300 0.013 0.000 1.105 475 V CB -0.317 31.525 31.823 0.031 0.000 0.713 475 V HN 0.512 nan 8.190 nan 0.000 0.473 476 E N -1.413 118.790 120.200 0.005 0.000 2.413 476 E HA 0.096 2.450 4.350 -3.327 0.000 0.203 476 E C 1.516 178.111 176.600 -0.008 0.000 0.957 476 E CA 0.128 56.526 56.400 -0.002 0.000 0.950 476 E CB 0.605 30.307 29.700 0.003 0.000 0.957 476 E HN 0.385 nan 8.360 nan 0.000 0.497 477 L N 0.500 121.720 121.223 -0.005 0.000 2.630 477 L HA 0.136 2.479 4.340 -3.327 0.000 0.180 477 L C 1.790 178.651 176.870 -0.015 0.000 1.221 477 L CA 1.023 55.858 54.840 -0.009 0.000 0.853 477 L CB 0.065 42.122 42.059 -0.003 0.000 1.172 477 L HN -0.186 nan 8.230 nan 0.000 0.508 478 E N -0.055 120.140 120.200 -0.008 0.000 2.110 478 E HA -0.220 2.133 4.350 -3.327 0.000 0.193 478 E C 2.032 178.603 176.600 -0.049 0.000 0.988 478 E CA 1.335 57.723 56.400 -0.020 0.000 0.804 478 E CB -0.108 29.595 29.700 0.005 0.000 0.745 478 E HN 0.617 nan 8.360 nan 0.000 0.458 479 Q N -0.274 119.494 119.800 -0.054 0.000 2.020 479 Q HA -0.075 2.269 4.340 -3.327 0.000 0.198 479 Q C -0.544 175.421 176.000 -0.058 0.000 0.974 479 Q CA 1.179 56.939 55.803 -0.071 0.000 0.829 479 Q CB -0.892 27.802 28.738 -0.074 0.000 0.894 479 Q HN 0.196 nan 8.270 nan 0.000 0.433 480 P HA -0.187 nan 4.420 nan 0.000 0.216 480 P C 1.277 178.552 177.300 -0.042 0.000 1.150 480 P CA 0.994 64.070 63.100 -0.040 0.000 0.843 480 P CB -0.037 31.645 31.700 -0.031 0.000 0.787 481 L N -0.926 120.272 121.223 -0.043 0.000 2.201 481 L HA -0.053 2.291 4.340 -3.327 0.000 0.212 481 L C 2.323 179.162 176.870 -0.050 0.000 1.105 481 L CA 1.719 56.530 54.840 -0.047 0.000 0.775 481 L CB -1.502 40.528 42.059 -0.049 0.000 0.913 481 L HN -0.120 nan 8.230 nan 0.000 0.440 482 S N -1.232 114.435 115.700 -0.055 0.000 2.383 482 S HA -0.192 2.282 4.470 -3.327 0.000 0.229 482 S C 2.055 176.634 174.600 -0.035 0.000 1.030 482 S CA 1.642 59.809 58.200 -0.055 0.000 1.002 482 S CB -0.257 62.894 63.200 -0.082 0.000 0.829 482 S HN 0.712 nan 8.310 nan 0.000 0.467 483 S N 1.397 117.073 115.700 -0.039 0.000 2.355 483 S HA 0.016 2.489 4.470 -3.327 0.000 0.222 483 S C 1.776 176.372 174.600 -0.006 0.000 1.031 483 S CA 1.388 59.570 58.200 -0.030 0.000 0.993 483 S CB -0.487 62.688 63.200 -0.041 0.000 0.859 483 S HN 0.527 nan 8.310 nan 0.000 0.453 484 I N 1.544 122.106 120.570 -0.013 0.000 2.208 484 I HA -0.217 1.957 4.170 -3.327 0.000 0.245 484 I C 2.152 178.281 176.117 0.021 0.000 1.097 484 I CA 1.195 62.492 61.300 -0.005 0.000 1.363 484 I CB -0.452 37.531 38.000 -0.029 0.000 1.051 484 I HN 0.210 nan 8.210 nan 0.000 0.413 485 L N 0.347 121.578 121.223 0.013 0.000 2.046 485 L HA -0.201 2.143 4.340 -3.327 0.000 0.208 485 L C 2.872 179.855 176.870 0.188 0.000 1.077 485 L CA 1.274 56.156 54.840 0.070 0.000 0.747 485 L CB -0.713 41.376 42.059 0.049 0.000 0.896 485 L HN 0.249 nan 8.230 nan 0.000 0.432 486 A N 0.062 122.964 122.820 0.137 0.000 1.873 486 A HA -0.299 2.025 4.320 -3.327 0.000 0.218 486 A C 2.182 179.903 177.584 0.230 0.000 1.193 486 A CA 2.220 54.358 52.037 0.168 0.000 0.629 486 A CB -0.602 18.433 19.000 0.058 0.000 0.826 486 A HN 0.447 nan 8.150 nan 0.000 0.447 487 E N -0.992 119.303 120.200 0.158 0.000 2.077 487 E HA -0.154 2.200 4.350 -3.327 0.000 0.193 487 E C 2.140 178.875 176.600 0.224 0.000 0.989 487 E CA 1.412 57.922 56.400 0.184 0.000 0.800 487 E CB -0.229 29.532 29.700 0.102 0.000 0.746 487 E HN 0.659 nan 8.360 nan 0.000 0.452 488 M N 0.275 119.990 119.600 0.192 0.000 2.108 488 M HA -0.224 2.260 4.480 -3.327 0.000 0.261 488 M C 2.007 178.474 176.300 0.278 0.000 1.066 488 M CA 1.584 57.004 55.300 0.200 0.000 1.107 488 M CB -0.148 32.562 32.600 0.184 0.000 1.356 488 M HN 0.093 nan 8.290 nan 0.000 0.406 489 E N -0.440 119.994 120.200 0.390 0.000 2.046 489 E HA -0.173 2.180 4.350 -3.327 0.000 0.190 489 E C 1.806 178.718 176.600 0.521 0.000 0.982 489 E CA 1.103 57.788 56.400 0.476 0.000 0.800 489 E CB -0.211 29.864 29.700 0.625 0.000 0.756 489 E HN 0.370 nan 8.360 nan 0.000 0.449 490 F N 1.906 122.078 119.950 0.369 0.000 2.095 490 F HA -0.221 2.309 4.527 -3.328 0.000 0.298 490 F C 2.192 178.078 175.800 0.143 0.000 1.104 490 F CA 1.409 59.546 58.000 0.229 0.000 1.232 490 F CB -0.580 38.453 39.000 0.056 0.000 0.987 490 F HN -0.049 nan 8.300 nan 0.000 0.475 491 A N 0.202 123.059 122.820 0.061 0.000 1.849 491 A HA 0.197 2.520 4.320 -3.327 0.000 0.217 491 A C 1.763 179.215 177.584 -0.220 0.000 1.202 491 A CA 1.910 53.886 52.037 -0.101 0.000 0.629 491 A CB -1.608 17.396 19.000 0.007 0.000 0.834 491 A HN 1.233 nan 8.150 nan 0.000 0.447 492 G N -3.149 105.535 108.800 -0.193 0.000 2.828 492 G HA2 0.098 2.061 3.960 -3.327 0.000 0.463 492 G HA3 0.098 2.061 3.960 -3.327 0.000 0.463 492 G C -0.542 174.196 174.900 -0.269 0.000 1.394 492 G CA -0.378 44.453 45.100 -0.449 0.000 0.862 492 G HN 1.369 nan 8.290 nan 0.000 0.540 493 V N 0.714 120.484 119.914 -0.239 0.000 2.588 493 V HA 0.554 2.677 4.120 -3.327 0.000 0.304 493 V C 0.543 176.585 176.094 -0.087 0.000 1.042 493 V CA -1.087 61.158 62.300 -0.092 0.000 0.877 493 V CB 1.851 33.690 31.823 0.027 0.000 0.996 493 V HN 0.813 nan 8.190 nan 0.000 0.425 494 K N 2.175 122.536 120.400 -0.065 0.000 2.270 494 K HA 0.546 2.870 4.320 -3.327 0.000 0.276 494 K C -0.977 175.574 176.600 -0.081 0.000 1.023 494 K CA -0.221 56.017 56.287 -0.081 0.000 0.955 494 K CB 1.595 34.048 32.500 -0.077 0.000 0.975 494 K HN 0.492 nan 8.250 nan 0.000 0.471 495 V N 3.186 123.017 119.914 -0.138 0.000 2.409 495 V HA 0.019 2.143 4.120 -3.327 0.000 0.291 495 V C -0.233 175.771 176.094 -0.151 0.000 1.020 495 V CA -0.992 61.170 62.300 -0.231 0.000 0.848 495 V CB 1.516 33.172 31.823 -0.278 0.000 0.990 495 V HN 0.698 nan 8.190 nan 0.000 0.430 496 D N 3.909 124.227 120.400 -0.137 0.000 2.348 496 D HA 0.043 2.686 4.640 -3.327 0.000 0.259 496 D C 1.447 177.687 176.300 -0.100 0.000 1.296 496 D CA 0.515 54.461 54.000 -0.090 0.000 0.931 496 D CB 1.505 42.269 40.800 -0.060 0.000 1.067 496 D HN 0.746 nan 8.370 nan 0.000 0.503 497 T N 1.841 116.346 114.554 -0.082 0.000 2.770 497 T HA -0.146 2.208 4.350 -3.327 0.000 0.263 497 T C 1.706 176.373 174.700 -0.056 0.000 1.039 497 T CA 0.681 62.737 62.100 -0.072 0.000 1.142 497 T CB -0.095 68.739 68.868 -0.057 0.000 0.868 497 T HN 0.331 nan 8.240 nan 0.000 0.435 498 K N 0.811 121.184 120.400 -0.045 0.000 2.074 498 K HA -0.148 2.176 4.320 -3.327 0.000 0.209 498 K C 2.623 179.200 176.600 -0.039 0.000 1.048 498 K CA 1.523 57.788 56.287 -0.036 0.000 0.926 498 K CB -0.300 32.182 32.500 -0.030 0.000 0.713 498 K HN 0.162 nan 8.250 nan 0.000 0.444 499 R N 1.828 122.302 120.500 -0.044 0.000 2.080 499 R HA -0.040 2.304 4.340 -3.327 0.000 0.236 499 R C 2.163 178.434 176.300 -0.047 0.000 1.137 499 R CA 1.331 57.403 56.100 -0.046 0.000 0.943 499 R CB -0.959 29.313 30.300 -0.048 0.000 0.846 499 R HN 0.210 nan 8.270 nan 0.000 0.431 500 L N 0.250 121.438 121.223 -0.058 0.000 1.989 500 L HA -0.206 2.138 4.340 -3.327 0.000 0.211 500 L C 2.324 179.173 176.870 -0.035 0.000 1.071 500 L CA 2.053 56.862 54.840 -0.050 0.000 0.749 500 L CB -0.465 41.553 42.059 -0.069 0.000 0.890 500 L HN 0.352 nan 8.230 nan 0.000 0.431 501 E N -0.680 119.498 120.200 -0.036 0.000 2.160 501 E HA -0.282 2.072 4.350 -3.327 0.000 0.195 501 E C 2.194 178.779 176.600 -0.025 0.000 0.991 501 E CA 1.291 57.674 56.400 -0.028 0.000 0.810 501 E CB 0.085 29.768 29.700 -0.027 0.000 0.742 501 E HN 0.515 nan 8.360 nan 0.000 0.466 502 Q N -0.399 119.385 119.800 -0.028 0.000 2.049 502 Q HA -0.108 2.236 4.340 -3.327 0.000 0.198 502 Q C 2.176 178.161 176.000 -0.026 0.000 0.971 502 Q CA 1.329 57.117 55.803 -0.026 0.000 0.833 502 Q CB -0.042 28.679 28.738 -0.028 0.000 0.896 502 Q HN 0.315 nan 8.270 nan 0.000 0.434 503 M N -0.070 119.513 119.600 -0.028 0.000 2.106 503 M HA -0.157 2.327 4.480 -3.327 0.000 0.259 503 M C 2.211 178.498 176.300 -0.022 0.000 1.068 503 M CA 1.620 56.905 55.300 -0.025 0.000 1.100 503 M CB -0.622 31.965 32.600 -0.022 0.000 1.351 503 M HN 0.388 nan 8.290 nan 0.000 0.404 504 G N -0.070 108.719 108.800 -0.020 0.000 2.462 504 G HA2 -0.210 1.754 3.960 -3.327 0.000 0.220 504 G HA3 -0.210 1.754 3.960 -3.327 0.000 0.220 504 G C 1.343 176.229 174.900 -0.024 0.000 1.121 504 G CA 0.973 46.060 45.100 -0.021 0.000 0.758 504 G HN 0.524 nan 8.290 nan 0.000 0.559 505 E N 0.077 120.264 120.200 -0.022 0.000 2.033 505 E HA -0.034 2.320 4.350 -3.327 0.000 0.189 505 E C 2.401 178.988 176.600 -0.021 0.000 0.979 505 E CA 0.781 57.169 56.400 -0.020 0.000 0.802 505 E CB -0.062 29.627 29.700 -0.018 0.000 0.763 505 E HN 0.489 nan 8.360 nan 0.000 0.449 506 E N 0.963 121.151 120.200 -0.021 0.000 2.049 506 E HA -0.209 2.144 4.350 -3.327 0.000 0.198 506 E C 2.175 178.759 176.600 -0.027 0.000 1.007 506 E CA 0.999 57.387 56.400 -0.021 0.000 0.809 506 E CB -0.101 29.587 29.700 -0.020 0.000 0.749 506 E HN 0.153 nan 8.360 nan 0.000 0.450 507 L N 0.271 121.473 121.223 -0.035 0.000 2.043 507 L HA -0.278 2.066 4.340 -3.327 0.000 0.212 507 L C 2.518 179.351 176.870 -0.061 0.000 1.075 507 L CA 1.187 55.994 54.840 -0.055 0.000 0.752 507 L CB -0.485 41.539 42.059 -0.057 0.000 0.891 507 L HN 0.216 nan 8.230 nan 0.000 0.432 508 A N -0.608 122.185 122.820 -0.045 0.000 1.940 508 A HA -0.256 2.067 4.320 -3.327 0.000 0.219 508 A C 2.143 179.709 177.584 -0.029 0.000 1.176 508 A CA 1.938 53.952 52.037 -0.039 0.000 0.631 508 A CB -0.411 18.574 19.000 -0.026 0.000 0.814 508 A HN 0.356 nan 8.150 nan 0.000 0.446 509 E N -0.061 120.125 120.200 -0.023 0.000 2.072 509 E HA -0.138 2.216 4.350 -3.327 0.000 0.190 509 E C 2.284 178.875 176.600 -0.015 0.000 0.982 509 E CA 1.477 57.869 56.400 -0.013 0.000 0.803 509 E CB -0.268 29.427 29.700 -0.008 0.000 0.755 509 E HN 0.727 nan 8.360 nan 0.000 0.453 510 Q N -0.240 119.545 119.800 -0.026 0.000 2.084 510 Q HA -0.113 2.231 4.340 -3.327 0.000 0.202 510 Q C 2.348 178.315 176.000 -0.056 0.000 0.978 510 Q CA 1.122 56.907 55.803 -0.029 0.000 0.844 510 Q CB -0.138 28.576 28.738 -0.041 0.000 0.898 510 Q HN 0.312 nan 8.270 nan 0.000 0.426 511 L N 0.163 121.334 121.223 -0.087 0.000 2.046 511 L HA -0.193 2.151 4.340 -3.327 0.000 0.208 511 L C 2.558 179.427 176.870 -0.002 0.000 1.077 511 L CA 1.147 55.932 54.840 -0.091 0.000 0.747 511 L CB -0.312 41.651 42.059 -0.159 0.000 0.896 511 L HN 0.172 nan 8.230 nan 0.000 0.432 512 R N -0.763 119.734 120.500 -0.006 0.000 2.105 512 R HA -0.148 2.196 4.340 -3.327 0.000 0.239 512 R C 2.286 178.588 176.300 0.002 0.000 1.135 512 R CA 1.977 58.083 56.100 0.009 0.000 0.967 512 R CB -0.383 29.923 30.300 0.011 0.000 0.861 512 R HN 0.353 nan 8.270 nan 0.000 0.442 513 T N 0.124 114.680 114.554 0.004 0.000 2.643 513 T HA -0.112 2.242 4.350 -3.327 0.000 0.264 513 T C 1.912 176.613 174.700 0.002 0.000 1.045 513 T CA 1.537 63.643 62.100 0.010 0.000 1.155 513 T CB -0.249 68.633 68.868 0.025 0.000 0.863 513 T HN -0.010 nan 8.240 nan 0.000 0.420 514 V N 1.601 121.526 119.914 0.018 0.000 2.332 514 V HA -0.191 1.932 4.120 -3.327 0.000 0.248 514 V C 2.564 178.609 176.094 -0.082 0.000 1.055 514 V CA 1.818 64.137 62.300 0.032 0.000 1.038 514 V CB -0.669 31.206 31.823 0.087 0.000 0.651 514 V HN 0.536 nan 8.190 nan 0.000 0.450 515 E N -0.186 119.952 120.200 -0.103 0.000 2.048 515 E HA -0.315 2.038 4.350 -3.327 0.000 0.202 515 E C 2.375 178.602 176.600 -0.621 0.000 1.021 515 E CA 1.871 58.011 56.400 -0.432 0.000 0.825 515 E CB -0.083 29.476 29.700 -0.234 0.000 0.756 515 E HN 0.533 nan 8.360 nan 0.000 0.454 516 Q N 0.357 120.003 119.800 -0.257 0.000 2.045 516 Q HA -0.215 2.128 4.340 -3.327 0.000 0.206 516 Q C 2.219 178.175 176.000 -0.073 0.000 0.991 516 Q CA 1.531 57.280 55.803 -0.092 0.000 0.851 516 Q CB -0.739 28.007 28.738 0.014 0.000 0.911 516 Q HN 0.117 nan 8.270 nan 0.000 0.418 517 R N 0.925 121.387 120.500 -0.063 0.000 2.115 517 R HA -0.133 2.211 4.340 -3.327 0.000 0.239 517 R C 2.271 178.549 176.300 -0.036 0.000 1.133 517 R CA 1.726 57.814 56.100 -0.020 0.000 0.935 517 R CB -1.047 29.253 30.300 0.001 0.000 0.853 517 R HN 0.365 nan 8.270 nan 0.000 0.433 518 I N -0.366 120.116 120.570 -0.146 0.000 2.151 518 I HA -0.364 1.810 4.170 -3.327 0.000 0.243 518 I C 1.962 178.098 176.117 0.032 0.000 1.080 518 I CA 1.681 62.904 61.300 -0.129 0.000 1.339 518 I CB -0.458 37.341 38.000 -0.334 0.000 1.039 518 I HN 0.208 nan 8.210 nan 0.000 0.409 519 Y N 0.641 120.954 120.300 0.023 0.000 2.224 519 Y HA -0.226 2.328 4.550 -3.327 0.000 0.289 519 Y C 2.847 178.789 175.900 0.071 0.000 1.146 519 Y CA 1.251 59.397 58.100 0.075 0.000 1.182 519 Y CB -1.402 37.070 38.460 0.020 0.000 0.983 519 Y HN 0.163 nan 8.280 nan 0.000 0.524 520 E N 0.505 120.821 120.200 0.193 0.000 2.028 520 E HA -0.143 2.211 4.350 -3.327 0.000 0.191 520 E C 2.214 178.882 176.600 0.113 0.000 0.988 520 E CA 1.250 57.726 56.400 0.126 0.000 0.799 520 E CB -0.772 28.980 29.700 0.088 0.000 0.755 520 E HN 0.608 nan 8.360 nan 0.000 0.447 521 L N -0.174 121.115 121.223 0.110 0.000 2.201 521 L HA 0.053 2.397 4.340 -3.327 0.000 0.212 521 L C 2.787 179.724 176.870 0.113 0.000 1.105 521 L CA 1.170 56.091 54.840 0.134 0.000 0.775 521 L CB -0.418 41.725 42.059 0.139 0.000 0.913 521 L HN 0.424 nan 8.230 nan 0.000 0.440 522 A N -0.601 122.280 122.820 0.101 0.000 2.072 522 A HA 0.214 2.538 4.320 -3.327 0.000 0.216 522 A C 1.764 179.373 177.584 0.042 0.000 1.156 522 A CA 0.779 52.842 52.037 0.044 0.000 0.701 522 A CB -0.369 18.730 19.000 0.164 0.000 0.816 522 A HN 0.464 nan 8.150 nan 0.000 0.458 523 G N -1.299 107.554 108.800 0.089 0.000 2.198 523 G HA2 -0.217 1.747 3.960 -3.327 0.000 0.257 523 G HA3 -0.217 1.747 3.960 -3.327 0.000 0.257 523 G C -0.094 174.841 174.900 0.058 0.000 1.042 523 G CA 0.831 45.970 45.100 0.065 0.000 0.791 523 G HN 1.094 nan 8.290 nan 0.000 0.502 524 Q N -2.175 117.691 119.800 0.110 0.000 2.900 524 Q HA 0.576 2.920 4.340 -3.327 0.000 0.297 524 Q C -0.880 175.200 176.000 0.133 0.000 0.889 524 Q CA 0.182 56.035 55.803 0.084 0.000 0.777 524 Q CB 0.195 28.950 28.738 0.029 0.000 1.518 524 Q HN 1.074 nan 8.270 nan 0.000 0.430 525 E N 0.981 121.149 120.200 -0.053 0.000 2.195 525 E HA 0.771 3.124 4.350 -3.327 0.000 0.271 525 E C -1.242 175.392 176.600 0.057 0.000 0.923 525 E CA -0.002 56.157 56.400 -0.402 0.000 0.790 525 E CB 1.189 30.485 29.700 -0.673 0.000 1.155 525 E HN 0.528 nan 8.360 nan 0.000 0.402 526 F N -1.235 118.581 119.950 -0.222 0.000 2.817 526 F HA 0.525 3.055 4.527 -3.328 0.000 0.317 526 F C -0.585 175.224 175.800 0.014 0.000 1.168 526 F CA -1.522 56.438 58.000 -0.066 0.000 0.911 526 F CB 1.435 40.420 39.000 -0.025 0.000 1.337 526 F HN 0.325 nan 8.300 nan 0.000 0.464 527 N N 1.964 120.683 118.700 0.032 0.000 2.402 527 N HA 0.286 3.030 4.740 -3.327 0.000 0.252 527 N C 0.766 176.220 175.510 -0.094 0.000 1.118 527 N CA -0.199 52.820 53.050 -0.052 0.000 0.945 527 N CB 0.522 39.026 38.487 0.028 0.000 1.147 527 N HN 0.776 nan 8.380 nan 0.000 0.495 528 I N 2.347 122.707 120.570 -0.349 0.000 2.454 528 I HA -0.246 1.927 4.170 -3.327 0.000 0.254 528 I C 0.861 176.955 176.117 -0.038 0.000 1.156 528 I CA 0.939 62.028 61.300 -0.352 0.000 1.433 528 I CB -0.161 37.407 38.000 -0.720 0.000 1.082 528 I HN 0.525 nan 8.210 nan 0.000 0.432 529 N N 0.107 118.827 118.700 0.034 0.000 2.461 529 N HA -0.034 2.709 4.740 -3.327 0.000 0.188 529 N C 0.543 176.103 175.510 0.084 0.000 1.134 529 N CA -0.129 52.978 53.050 0.096 0.000 0.878 529 N CB 0.227 38.776 38.487 0.103 0.000 0.972 529 N HN 0.060 nan 8.380 nan 0.000 0.456 530 S N 1.548 117.302 115.700 0.089 0.000 2.411 530 S HA 0.209 2.683 4.470 -3.327 0.000 0.294 530 S C -1.405 173.263 174.600 0.114 0.000 1.115 530 S CA -1.938 56.320 58.200 0.097 0.000 1.071 530 S CB 0.835 64.096 63.200 0.101 0.000 0.967 530 S HN 0.053 nan 8.310 nan 0.000 0.488 531 P HA -0.139 nan 4.420 nan 0.000 0.218 531 P C 1.070 178.448 177.300 0.130 0.000 1.148 531 P CA 1.015 64.184 63.100 0.115 0.000 0.822 531 P CB 0.228 31.986 31.700 0.096 0.000 0.784 532 K N 0.278 120.740 120.400 0.104 0.000 2.044 532 K HA -0.080 2.244 4.320 -3.327 0.000 0.204 532 K C 2.465 179.134 176.600 0.115 0.000 1.049 532 K CA 1.223 57.568 56.287 0.096 0.000 0.945 532 K CB -0.564 31.971 32.500 0.057 0.000 0.724 532 K HN -0.025 nan 8.250 nan 0.000 0.440 533 Q N 0.052 119.924 119.800 0.121 0.000 2.079 533 Q HA -0.140 2.204 4.340 -3.327 0.000 0.200 533 Q C 2.120 178.185 176.000 0.109 0.000 0.974 533 Q CA 1.395 57.279 55.803 0.134 0.000 0.840 533 Q CB -0.148 28.719 28.738 0.215 0.000 0.898 533 Q HN 0.286 nan 8.270 nan 0.000 0.430 534 L N 0.357 121.685 121.223 0.174 0.000 2.027 534 L HA -0.007 2.337 4.340 -3.327 0.000 0.206 534 L C 2.137 178.959 176.870 -0.080 0.000 1.074 534 L CA 2.106 57.012 54.840 0.109 0.000 0.745 534 L CB -0.970 41.199 42.059 0.183 0.000 0.898 534 L HN 0.157 nan 8.230 nan 0.000 0.433 535 G N -1.201 107.631 108.800 0.053 0.000 2.499 535 G HA2 -0.190 1.773 3.960 -3.327 0.000 0.221 535 G HA3 -0.190 1.773 3.960 -3.327 0.000 0.221 535 G C 1.418 176.396 174.900 0.130 0.000 1.109 535 G CA 1.107 46.306 45.100 0.165 0.000 0.749 535 G HN 0.369 nan 8.290 nan 0.000 0.568 536 V N 1.027 120.976 119.914 0.058 0.000 2.446 536 V HA -0.022 2.101 4.120 -3.327 0.000 0.244 536 V C 2.699 178.689 176.094 -0.173 0.000 1.039 536 V CA 0.688 62.991 62.300 0.006 0.000 1.045 536 V CB -0.178 31.645 31.823 0.001 0.000 0.681 536 V HN 0.242 nan 8.190 nan 0.000 0.459 537 I N -0.043 120.328 120.570 -0.331 0.000 2.202 537 I HA -0.190 1.984 4.170 -3.327 0.000 0.242 537 I C 2.354 178.231 176.117 -0.401 0.000 1.091 537 I CA 1.823 62.855 61.300 -0.447 0.000 1.368 537 I CB -0.981 36.545 38.000 -0.789 0.000 1.058 537 I HN 0.260 nan 8.210 nan 0.000 0.410 538 L N -0.410 120.512 121.223 -0.502 0.000 1.988 538 L HA -0.184 2.159 4.340 -3.327 0.000 0.207 538 L C 2.431 178.970 176.870 -0.552 0.000 1.071 538 L CA 1.513 55.962 54.840 -0.650 0.000 0.744 538 L CB -0.719 40.689 42.059 -1.086 0.000 0.893 538 L HN 0.083 nan 8.230 nan 0.000 0.433 539 F N -0.652 119.110 119.950 -0.314 0.000 2.743 539 F HA 0.039 2.570 4.527 -3.328 0.000 0.297 539 F C 2.237 177.843 175.800 -0.323 0.000 1.131 539 F CA 0.317 58.059 58.000 -0.431 0.000 1.426 539 F CB -0.304 38.171 39.000 -0.876 0.000 1.116 539 F HN 0.094 nan 8.300 nan 0.000 0.583 540 E N -0.035 120.107 120.200 -0.097 0.000 2.280 540 E HA -0.021 2.333 4.350 -3.327 0.000 0.197 540 E C 1.962 178.522 176.600 -0.067 0.000 0.913 540 E CA 0.067 56.438 56.400 -0.048 0.000 0.995 540 E CB 0.116 29.817 29.700 0.001 0.000 0.991 540 E HN 0.149 nan 8.360 nan 0.000 0.484 541 K N 1.094 121.430 120.400 -0.107 0.000 2.057 541 K HA -0.045 2.278 4.320 -3.327 0.000 0.206 541 K C 1.702 178.250 176.600 -0.087 0.000 1.050 541 K CA 1.014 57.241 56.287 -0.100 0.000 0.935 541 K CB 0.123 32.540 32.500 -0.139 0.000 0.715 541 K HN 0.042 nan 8.250 nan 0.000 0.439 542 L N 0.752 121.901 121.223 -0.123 0.000 2.607 542 L HA 0.128 2.471 4.340 -3.327 0.000 0.228 542 L C 0.031 176.879 176.870 -0.036 0.000 1.123 542 L CA -0.193 54.601 54.840 -0.076 0.000 0.890 542 L CB 0.317 42.274 42.059 -0.170 0.000 1.103 542 L HN 0.207 nan 8.230 nan 0.000 0.468 543 Q N 0.548 120.316 119.800 -0.053 0.000 2.475 543 Q HA -0.182 2.162 4.340 -3.327 0.000 0.280 543 Q C -0.130 175.846 176.000 -0.040 0.000 1.234 543 Q CA 0.819 56.602 55.803 -0.033 0.000 0.873 543 Q CB -2.050 26.679 28.738 -0.016 0.000 1.256 543 Q HN 0.496 nan 8.270 nan 0.000 0.475 544 L N 0.869 122.073 121.223 -0.032 0.000 2.461 544 L HA 0.145 2.488 4.340 -3.327 0.000 0.272 544 L C -1.507 175.363 176.870 0.001 0.000 1.197 544 L CA -1.519 53.295 54.840 -0.044 0.000 0.836 544 L CB -0.153 41.890 42.059 -0.026 0.000 1.105 544 L HN -0.145 nan 8.230 nan 0.000 0.477 545 P HA 0.004 nan 4.420 nan 0.000 0.267 545 P C -0.553 176.609 177.300 -0.230 0.000 1.209 545 P CA -0.125 62.855 63.100 -0.200 0.000 0.763 545 P CB 0.522 32.053 31.700 -0.280 0.000 0.816 546 V N 6.016 125.714 119.914 -0.360 0.000 2.405 546 V HA 0.027 2.151 4.120 -3.327 0.000 0.264 546 V C 1.499 177.414 176.094 -0.298 0.000 1.048 546 V CA 0.489 62.441 62.300 -0.580 0.000 0.966 546 V CB -0.096 31.421 31.823 -0.510 0.000 1.015 546 V HN 0.503 nan 8.190 nan 0.000 0.477 547 L N 3.826 124.904 121.223 -0.242 0.000 2.554 547 L HA 0.394 2.738 4.340 -3.327 0.000 0.225 547 L C 0.773 177.593 176.870 -0.084 0.000 1.104 547 L CA 0.348 55.123 54.840 -0.108 0.000 0.866 547 L CB -0.031 42.004 42.059 -0.040 0.000 1.047 547 L HN 0.521 nan 8.230 nan 0.000 0.468 548 K N 1.233 121.562 120.400 -0.118 0.000 2.572 548 K HA 0.314 2.637 4.320 -3.327 0.000 0.263 548 K C -1.476 175.095 176.600 -0.049 0.000 0.932 548 K CA -0.690 55.563 56.287 -0.056 0.000 0.838 548 K CB 2.037 34.532 32.500 -0.008 0.000 1.366 548 K HN -0.074 nan 8.250 nan 0.000 0.425 549 K N 1.001 121.390 120.400 -0.019 0.000 2.207 549 K HA 0.539 2.863 4.320 -3.327 0.000 0.255 549 K C -0.545 176.059 176.600 0.006 0.000 0.941 549 K CA -0.770 55.515 56.287 -0.003 0.000 0.825 549 K CB 1.827 34.316 32.500 -0.017 0.000 1.119 549 K HN 0.514 nan 8.250 nan 0.000 0.430 550 S N 1.003 116.710 115.700 0.011 0.000 2.713 550 S HA 0.175 2.649 4.470 -3.327 0.000 0.283 550 S C 0.982 175.577 174.600 -0.008 0.000 1.161 550 S CA -0.863 57.344 58.200 0.012 0.000 0.999 550 S CB 1.622 64.840 63.200 0.030 0.000 1.039 550 S HN 0.874 nan 8.310 nan 0.000 0.548 551 K N -0.229 120.169 120.400 -0.004 0.000 2.127 551 K HA -0.178 2.146 4.320 -3.327 0.000 0.208 551 K C 1.624 178.209 176.600 -0.025 0.000 1.047 551 K CA 1.974 58.255 56.287 -0.011 0.000 0.927 551 K CB -0.460 32.038 32.500 -0.002 0.000 0.716 551 K HN 0.722 nan 8.250 nan 0.000 0.450 552 T N -1.378 113.158 114.554 -0.029 0.000 3.044 552 T HA 0.323 2.677 4.350 -3.327 0.000 0.260 552 T C -0.058 174.588 174.700 -0.090 0.000 1.019 552 T CA 0.349 62.422 62.100 -0.045 0.000 0.921 552 T CB 0.650 69.504 68.868 -0.024 0.000 1.053 552 T HN 0.501 nan 8.240 nan 0.000 0.533 553 G N 0.075 108.807 108.800 -0.113 0.000 2.335 553 G HA2 0.402 2.366 3.960 -3.327 0.000 0.291 553 G HA3 0.402 2.366 3.960 -3.327 0.000 0.291 553 G C -1.874 172.919 174.900 -0.179 0.000 1.261 553 G CA -0.893 44.055 45.100 -0.253 0.000 0.871 553 G HN 0.247 nan 8.290 nan 0.000 0.491 554 Y N 0.359 120.679 120.300 0.033 0.000 2.309 554 Y HA 0.636 3.190 4.550 -3.328 0.000 0.327 554 Y C 1.071 177.030 175.900 0.099 0.000 1.172 554 Y CA -0.381 57.712 58.100 -0.013 0.000 1.280 554 Y CB 1.245 39.617 38.460 -0.147 0.000 1.234 554 Y HN 0.403 nan 8.280 nan 0.000 0.512 555 S N 1.068 116.897 115.700 0.215 0.000 2.523 555 S HA 0.211 2.685 4.470 -3.327 0.000 0.275 555 S C 0.596 175.383 174.600 0.313 0.000 1.281 555 S CA -0.271 58.050 58.200 0.202 0.000 1.050 555 S CB 0.035 63.301 63.200 0.111 0.000 0.937 555 S HN 0.851 nan 8.310 nan 0.000 0.492 556 T N 1.036 115.747 114.554 0.261 0.000 3.293 556 T HA 0.308 2.661 4.350 -3.327 0.000 0.276 556 T C 0.510 175.301 174.700 0.152 0.000 1.003 556 T CA -0.354 61.882 62.100 0.227 0.000 0.916 556 T CB -0.582 68.389 68.868 0.172 0.000 1.134 556 T HN 0.589 nan 8.240 nan 0.000 0.530 557 S N 0.682 116.464 115.700 0.137 0.000 2.587 557 S HA 0.572 3.046 4.470 -3.327 0.000 0.260 557 S C 1.885 176.548 174.600 0.104 0.000 1.353 557 S CA -0.301 57.963 58.200 0.107 0.000 0.995 557 S CB 0.571 63.825 63.200 0.090 0.000 0.912 557 S HN 0.488 nan 8.310 nan 0.000 0.568 558 A N 0.975 123.850 122.820 0.091 0.000 1.902 558 A HA 0.020 2.343 4.320 -3.327 0.000 0.217 558 A C 2.102 179.738 177.584 0.086 0.000 1.181 558 A CA 2.034 54.123 52.037 0.088 0.000 0.623 558 A CB -2.111 16.937 19.000 0.080 0.000 0.818 558 A HN 1.073 nan 8.150 nan 0.000 0.443 559 D N -0.781 119.668 120.400 0.080 0.000 2.123 559 D HA -0.045 2.599 4.640 -3.327 0.000 0.196 559 D C 1.930 178.281 176.300 0.084 0.000 0.992 559 D CA 1.911 55.956 54.000 0.075 0.000 0.833 559 D CB -0.724 40.115 40.800 0.066 0.000 0.954 559 D HN 0.226 nan 8.370 nan 0.000 0.455 560 V N 0.490 120.463 119.914 0.098 0.000 2.307 560 V HA -0.117 2.007 4.120 -3.327 0.000 0.245 560 V C 2.884 179.057 176.094 0.133 0.000 1.045 560 V CA 1.232 63.601 62.300 0.116 0.000 1.024 560 V CB -0.412 31.499 31.823 0.146 0.000 0.651 560 V HN 0.545 nan 8.190 nan 0.000 0.449 561 L N -0.258 121.041 121.223 0.127 0.000 2.141 561 L HA -0.147 2.196 4.340 -3.327 0.000 0.209 561 L C 2.623 179.559 176.870 0.110 0.000 1.094 561 L CA 1.459 56.369 54.840 0.116 0.000 0.763 561 L CB -0.815 41.301 42.059 0.095 0.000 0.908 561 L HN 0.448 nan 8.230 nan 0.000 0.437 562 E N 0.756 121.015 120.200 0.098 0.000 2.118 562 E HA -0.245 2.109 4.350 -3.327 0.000 0.195 562 E C 2.022 178.681 176.600 0.098 0.000 0.992 562 E CA 1.247 57.699 56.400 0.087 0.000 0.804 562 E CB -0.089 29.654 29.700 0.072 0.000 0.741 562 E HN 0.542 nan 8.360 nan 0.000 0.458 563 K N 0.364 120.833 120.400 0.114 0.000 2.296 563 K HA 0.026 2.350 4.320 -3.327 0.000 0.200 563 K C 1.960 178.695 176.600 0.225 0.000 1.048 563 K CA 0.455 56.825 56.287 0.139 0.000 0.966 563 K CB 0.129 32.703 32.500 0.123 0.000 0.754 563 K HN 0.110 nan 8.250 nan 0.000 0.466 564 L N 0.299 121.656 121.223 0.223 0.000 2.591 564 L HA 0.109 2.453 4.340 -3.327 0.000 0.228 564 L C 2.197 179.267 176.870 0.334 0.000 1.133 564 L CA -0.146 54.886 54.840 0.320 0.000 0.880 564 L CB -0.263 41.903 42.059 0.179 0.000 1.033 564 L HN 0.106 nan 8.230 nan 0.000 0.450 565 A N 1.308 124.248 122.820 0.200 0.000 1.902 565 A HA -0.080 2.244 4.320 -3.327 0.000 0.217 565 A C -0.072 177.574 177.584 0.103 0.000 1.181 565 A CA 1.321 53.439 52.037 0.135 0.000 0.623 565 A CB -1.549 17.501 19.000 0.084 0.000 0.818 565 A HN 0.266 nan 8.150 nan 0.000 0.443 566 P HA -0.132 nan 4.420 nan 0.000 0.221 566 P C 0.568 177.779 177.300 -0.148 0.000 1.145 566 P CA 1.014 64.044 63.100 -0.117 0.000 0.795 566 P CB -0.174 31.368 31.700 -0.265 0.000 0.775 567 Y N -2.965 117.365 120.300 0.050 0.000 2.365 567 Y HA 0.054 2.608 4.550 -3.328 0.000 0.293 567 Y C 1.518 177.469 175.900 0.085 0.000 1.119 567 Y CA 0.892 59.027 58.100 0.059 0.000 1.203 567 Y CB 0.019 38.525 38.460 0.076 0.000 1.026 567 Y HN 0.021 nan 8.280 nan 0.000 0.549 568 H N -0.798 118.358 119.070 0.144 0.000 3.038 568 H HA 0.126 2.686 4.556 -3.327 0.000 0.362 568 H C 0.018 175.376 175.328 0.050 0.000 1.167 568 H CA -0.640 55.454 56.048 0.077 0.000 1.197 568 H CB 1.859 31.658 29.762 0.062 0.000 1.840 568 H HN 0.178 nan 8.280 nan 0.000 0.540 569 E N 3.601 123.934 120.200 0.222 0.000 2.338 569 E HA -0.063 2.291 4.350 -3.327 0.000 0.197 569 E C 1.652 178.374 176.600 0.203 0.000 1.007 569 E CA 0.606 57.106 56.400 0.166 0.000 0.849 569 E CB 0.209 29.958 29.700 0.080 0.000 0.774 569 E HN 0.612 nan 8.360 nan 0.000 0.506 570 I N -0.094 120.658 120.570 0.303 0.000 2.394 570 I HA -0.233 1.940 4.170 -3.327 0.000 0.251 570 I C 1.718 177.868 176.117 0.055 0.000 1.136 570 I CA 0.582 61.938 61.300 0.094 0.000 1.425 570 I CB 0.164 38.094 38.000 -0.117 0.000 1.079 570 I HN 0.074 nan 8.210 nan 0.000 0.425 571 V N 1.995 121.954 119.914 0.075 0.000 2.261 571 V HA -0.314 1.810 4.120 -3.327 0.000 0.246 571 V C 2.422 178.562 176.094 0.077 0.000 1.047 571 V CA 2.371 64.708 62.300 0.063 0.000 1.015 571 V CB -1.219 30.658 31.823 0.089 0.000 0.642 571 V HN 0.612 nan 8.190 nan 0.000 0.446 572 E N 0.672 120.921 120.200 0.081 0.000 2.118 572 E HA -0.266 2.088 4.350 -3.327 0.000 0.195 572 E C 1.918 178.581 176.600 0.106 0.000 0.992 572 E CA 1.741 58.187 56.400 0.075 0.000 0.804 572 E CB -0.517 29.210 29.700 0.044 0.000 0.741 572 E HN 0.612 nan 8.360 nan 0.000 0.458 573 N N 0.536 119.297 118.700 0.103 0.000 2.188 573 N HA -0.091 2.653 4.740 -3.327 0.000 0.184 573 N C 1.850 177.443 175.510 0.138 0.000 1.018 573 N CA 1.064 54.193 53.050 0.132 0.000 0.858 573 N CB -0.080 38.455 38.487 0.080 0.000 0.989 573 N HN 0.198 nan 8.380 nan 0.000 0.426 574 I N 1.369 121.992 120.570 0.089 0.000 2.142 574 I HA -0.216 1.958 4.170 -3.327 0.000 0.240 574 I C 2.236 178.450 176.117 0.162 0.000 1.078 574 I CA 0.833 62.184 61.300 0.086 0.000 1.343 574 I CB -0.383 37.644 38.000 0.045 0.000 1.046 574 I HN 0.021 nan 8.210 nan 0.000 0.405 575 L N -0.742 120.567 121.223 0.144 0.000 2.046 575 L HA -0.271 2.073 4.340 -3.327 0.000 0.208 575 L C 2.650 179.630 176.870 0.182 0.000 1.077 575 L CA 1.535 56.463 54.840 0.145 0.000 0.747 575 L CB -0.897 41.234 42.059 0.120 0.000 0.896 575 L HN 0.315 nan 8.230 nan 0.000 0.432 576 H N -0.983 118.135 119.070 0.080 0.000 2.352 576 H HA -0.280 2.279 4.556 -3.327 0.000 0.299 576 H C 2.102 177.477 175.328 0.078 0.000 1.097 576 H CA 1.956 58.043 56.048 0.065 0.000 1.311 576 H CB -0.341 29.454 29.762 0.056 0.000 1.377 576 H HN 0.385 nan 8.280 nan 0.000 0.504 577 Y N 1.040 121.295 120.300 -0.075 0.000 2.181 577 Y HA -0.180 2.374 4.550 -3.327 0.000 0.288 577 Y C 2.468 178.313 175.900 -0.091 0.000 1.146 577 Y CA 1.739 59.752 58.100 -0.144 0.000 1.164 577 Y CB -0.027 38.368 38.460 -0.108 0.000 0.982 577 Y HN 0.074 nan 8.280 nan 0.000 0.515 578 R N 0.171 120.733 120.500 0.104 0.000 2.092 578 R HA -0.199 2.144 4.340 -3.327 0.000 0.231 578 R C 2.319 178.599 176.300 -0.032 0.000 1.119 578 R CA 1.645 57.772 56.100 0.045 0.000 0.970 578 R CB -0.592 29.778 30.300 0.116 0.000 0.864 578 R HN 0.556 nan 8.270 nan 0.000 0.440 579 Q N 0.996 120.789 119.800 -0.012 0.000 1.993 579 Q HA -0.112 2.231 4.340 -3.327 0.000 0.202 579 Q C 2.161 178.123 176.000 -0.063 0.000 0.984 579 Q CA 1.282 57.084 55.803 -0.002 0.000 0.837 579 Q CB -0.054 28.713 28.738 0.047 0.000 0.902 579 Q HN 0.296 nan 8.270 nan 0.000 0.423 580 L N 0.007 121.134 121.223 -0.161 0.000 2.265 580 L HA -0.086 2.257 4.340 -3.327 0.000 0.215 580 L C 2.321 179.051 176.870 -0.232 0.000 1.117 580 L CA 0.872 55.590 54.840 -0.203 0.000 0.782 580 L CB -0.600 41.272 42.059 -0.312 0.000 0.914 580 L HN 0.422 nan 8.230 nan 0.000 0.441 581 G N 0.106 108.720 108.800 -0.310 0.000 2.396 581 G HA2 -0.231 1.732 3.960 -3.327 0.000 0.214 581 G HA3 -0.231 1.732 3.960 -3.327 0.000 0.214 581 G C 1.658 176.476 174.900 -0.136 0.000 1.166 581 G CA 0.462 45.372 45.100 -0.316 0.000 0.793 581 G HN 0.181 nan 8.290 nan 0.000 0.533 582 K N 0.452 120.814 120.400 -0.062 0.000 2.032 582 K HA 0.050 2.373 4.320 -3.327 0.000 0.209 582 K C 2.447 179.088 176.600 0.068 0.000 1.048 582 K CA 0.964 57.258 56.287 0.011 0.000 0.927 582 K CB -0.540 32.007 32.500 0.079 0.000 0.712 582 K HN 0.305 nan 8.250 nan 0.000 0.441 583 L N 0.382 121.674 121.223 0.114 0.000 2.013 583 L HA -0.266 2.077 4.340 -3.327 0.000 0.212 583 L C 2.739 179.663 176.870 0.090 0.000 1.073 583 L CA 1.701 56.651 54.840 0.182 0.000 0.753 583 L CB -0.580 41.529 42.059 0.083 0.000 0.890 583 L HN 0.360 nan 8.230 nan 0.000 0.432 584 Q N 0.225 120.020 119.800 -0.008 0.000 2.050 584 Q HA -0.189 2.154 4.340 -3.327 0.000 0.202 584 Q C 2.374 178.352 176.000 -0.037 0.000 0.980 584 Q CA 2.458 58.240 55.803 -0.034 0.000 0.840 584 Q CB -0.143 28.545 28.738 -0.083 0.000 0.898 584 Q HN 0.588 nan 8.270 nan 0.000 0.424 585 S N -2.271 113.394 115.700 -0.059 0.000 2.377 585 S HA -0.029 2.445 4.470 -3.327 0.000 0.223 585 S C 1.883 176.419 174.600 -0.107 0.000 1.030 585 S CA 1.238 59.394 58.200 -0.072 0.000 0.970 585 S CB -0.397 62.760 63.200 -0.072 0.000 0.830 585 S HN 0.361 nan 8.310 nan 0.000 0.473 586 T N -0.143 114.300 114.554 -0.184 0.000 3.034 586 T HA 0.288 2.641 4.350 -3.327 0.000 0.248 586 T C 0.722 175.169 174.700 -0.421 0.000 1.040 586 T CA 0.412 62.281 62.100 -0.385 0.000 1.107 586 T CB -0.157 68.315 68.868 -0.661 0.000 0.932 586 T HN 0.468 nan 8.240 nan 0.000 0.474 587 Y N -0.189 120.124 120.300 0.021 0.000 2.430 587 Y HA 0.401 2.955 4.550 -3.327 0.000 0.248 587 Y C 1.591 177.509 175.900 0.030 0.000 1.108 587 Y CA -0.581 57.545 58.100 0.045 0.000 1.264 587 Y CB 0.401 38.890 38.460 0.048 0.000 1.172 587 Y HN 0.118 nan 8.280 nan 0.000 0.520 588 I N -0.951 119.687 120.570 0.113 0.000 3.345 588 I HA 0.034 2.208 4.170 -3.327 0.000 0.258 588 I C 1.995 178.121 176.117 0.015 0.000 1.134 588 I CA 0.596 61.927 61.300 0.053 0.000 1.457 588 I CB -0.924 37.093 38.000 0.029 0.000 1.425 588 I HN 0.052 nan 8.210 nan 0.000 0.461 589 E N 1.178 121.375 120.200 -0.004 0.000 2.072 589 E HA -0.095 2.258 4.350 -3.327 0.000 0.190 589 E C 2.236 178.822 176.600 -0.023 0.000 0.982 589 E CA 1.175 57.564 56.400 -0.018 0.000 0.803 589 E CB -0.197 29.486 29.700 -0.027 0.000 0.755 589 E HN 0.471 nan 8.360 nan 0.000 0.453 590 G N 0.634 109.412 108.800 -0.036 0.000 2.442 590 G HA2 -0.240 1.724 3.960 -3.327 0.000 0.219 590 G HA3 -0.240 1.724 3.960 -3.327 0.000 0.219 590 G C 1.429 176.320 174.900 -0.015 0.000 1.141 590 G CA 0.538 45.611 45.100 -0.045 0.000 0.763 590 G HN 0.117 nan 8.290 nan 0.000 0.554 591 L N 0.029 121.260 121.223 0.013 0.000 2.049 591 L HA 0.279 2.622 4.340 -3.327 0.000 0.203 591 L C 2.793 179.665 176.870 0.003 0.000 1.074 591 L CA 0.898 55.760 54.840 0.037 0.000 0.749 591 L CB -0.547 41.559 42.059 0.078 0.000 0.907 591 L HN 0.129 nan 8.230 nan 0.000 0.439 592 L N -0.275 120.942 121.223 -0.010 0.000 2.263 592 L HA -0.269 2.074 4.340 -3.327 0.000 0.216 592 L C 2.423 179.282 176.870 -0.018 0.000 1.111 592 L CA 1.399 56.226 54.840 -0.022 0.000 0.773 592 L CB -0.487 41.559 42.059 -0.023 0.000 0.906 592 L HN 0.330 nan 8.230 nan 0.000 0.439 593 K N 0.410 120.801 120.400 -0.015 0.000 2.296 593 K HA -0.077 2.246 4.320 -3.327 0.000 0.200 593 K C 1.522 178.114 176.600 -0.014 0.000 1.048 593 K CA 1.179 57.456 56.287 -0.016 0.000 0.966 593 K CB 0.275 32.764 32.500 -0.019 0.000 0.754 593 K HN 0.304 nan 8.250 nan 0.000 0.466 594 V N -1.089 118.820 119.914 -0.007 0.000 3.621 594 V HA 0.258 2.382 4.120 -3.327 0.000 0.285 594 V C 0.305 176.402 176.094 0.006 0.000 1.346 594 V CA -0.716 61.583 62.300 -0.002 0.000 1.104 594 V CB 0.255 32.081 31.823 0.004 0.000 0.913 594 V HN -0.103 nan 8.190 nan 0.000 0.432 595 V N 2.020 121.933 119.914 -0.003 0.000 2.521 595 V HA 0.290 2.414 4.120 -3.327 0.000 0.286 595 V C 0.840 176.938 176.094 0.008 0.000 1.034 595 V CA -0.273 62.024 62.300 -0.004 0.000 1.045 595 V CB 0.312 32.116 31.823 -0.031 0.000 0.974 595 V HN 0.507 nan 8.190 nan 0.000 0.480 596 R N 6.367 126.890 120.500 0.038 0.000 2.370 596 R HA 0.184 2.528 4.340 -3.327 0.000 0.309 596 R C -1.519 174.798 176.300 0.029 0.000 1.059 596 R CA -1.306 54.820 56.100 0.044 0.000 0.981 596 R CB 0.732 31.096 30.300 0.105 0.000 0.972 596 R HN 0.530 nan 8.270 nan 0.000 0.437 597 P HA -0.187 nan 4.420 nan 0.000 0.218 597 P C 0.319 177.625 177.300 0.011 0.000 1.149 597 P CA 1.124 64.227 63.100 0.004 0.000 0.817 597 P CB 0.178 31.877 31.700 -0.001 0.000 0.785 598 D N -0.103 120.313 120.400 0.027 0.000 2.097 598 D HA -0.134 2.510 4.640 -3.327 0.000 0.195 598 D C 1.393 177.709 176.300 0.027 0.000 0.989 598 D CA 2.319 56.339 54.000 0.033 0.000 0.827 598 D CB -1.565 39.270 40.800 0.059 0.000 0.966 598 D HN 0.268 nan 8.370 nan 0.000 0.456 599 T N -3.877 110.702 114.554 0.043 0.000 3.044 599 T HA 0.181 2.534 4.350 -3.327 0.000 0.260 599 T C 0.473 175.166 174.700 -0.012 0.000 1.019 599 T CA -0.543 61.566 62.100 0.014 0.000 0.921 599 T CB 0.200 69.086 68.868 0.030 0.000 1.053 599 T HN -0.031 nan 8.240 nan 0.000 0.533 600 K N 1.190 121.587 120.400 -0.005 0.000 3.071 600 K HA -0.128 2.195 4.320 -3.327 0.000 0.265 600 K C -0.511 176.057 176.600 -0.054 0.000 1.060 600 K CA 0.739 57.007 56.287 -0.032 0.000 0.767 600 K CB -1.516 30.956 32.500 -0.046 0.000 1.241 600 K HN 0.550 nan 8.250 nan 0.000 0.486 601 K N 0.298 120.680 120.400 -0.031 0.000 2.340 601 K HA 0.542 2.866 4.320 -3.327 0.000 0.244 601 K C 0.084 176.634 176.600 -0.082 0.000 0.973 601 K CA -0.848 55.371 56.287 -0.114 0.000 0.828 601 K CB 2.552 34.934 32.500 -0.197 0.000 1.226 601 K HN 0.041 nan 8.250 nan 0.000 0.437 602 V N -0.815 118.997 119.914 -0.170 0.000 2.459 602 V HA 0.473 2.597 4.120 -3.327 0.000 0.295 602 V C -0.576 175.354 176.094 -0.273 0.000 1.029 602 V CA -0.593 61.655 62.300 -0.087 0.000 0.874 602 V CB 1.395 33.223 31.823 0.009 0.000 0.985 602 V HN 0.697 nan 8.190 nan 0.000 0.438 603 H N 2.623 121.615 119.070 -0.130 0.000 2.725 603 H HA 0.364 2.924 4.556 -3.327 0.000 0.283 603 H C 0.184 175.441 175.328 -0.118 0.000 1.110 603 H CA -0.340 55.563 56.048 -0.241 0.000 1.289 603 H CB 1.725 31.074 29.762 -0.687 0.000 1.400 603 H HN 0.834 nan 8.280 nan 0.000 0.493 604 T N 2.790 117.338 114.554 -0.009 0.000 2.802 604 T HA 0.292 2.646 4.350 -3.327 0.000 0.305 604 T C 0.579 175.251 174.700 -0.046 0.000 1.053 604 T CA -0.267 61.768 62.100 -0.108 0.000 1.058 604 T CB 0.317 68.964 68.868 -0.368 0.000 0.988 604 T HN 0.385 nan 8.240 nan 0.000 0.539 605 I N 2.612 123.080 120.570 -0.170 0.000 2.404 605 I HA 0.369 2.543 4.170 -3.327 0.000 0.293 605 I C -0.918 175.079 176.117 -0.200 0.000 0.992 605 I CA -0.725 60.492 61.300 -0.138 0.000 1.149 605 I CB 1.458 39.320 38.000 -0.231 0.000 1.315 605 I HN 0.504 nan 8.210 nan 0.000 0.446 606 F N 4.701 124.705 119.950 0.089 0.000 2.361 606 F HA 0.305 2.836 4.527 -3.327 0.000 0.364 606 F C 0.565 176.387 175.800 0.038 0.000 1.120 606 F CA -0.633 57.402 58.000 0.058 0.000 1.102 606 F CB 0.624 39.656 39.000 0.054 0.000 1.183 606 F HN 0.374 nan 8.300 nan 0.000 0.476 607 N N 3.268 122.075 118.700 0.179 0.000 2.430 607 N HA 0.029 2.773 4.740 -3.327 0.000 0.265 607 N C 0.584 176.112 175.510 0.031 0.000 1.100 607 N CA 0.318 53.417 53.050 0.082 0.000 0.961 607 N CB 1.038 39.555 38.487 0.050 0.000 1.075 607 N HN 0.767 nan 8.380 nan 0.000 0.478 608 Q N 2.705 122.461 119.800 -0.072 0.000 2.378 608 Q HA 0.255 2.599 4.340 -3.327 0.000 0.216 608 Q C -0.298 175.380 176.000 -0.537 0.000 0.892 608 Q CA 0.132 55.824 55.803 -0.185 0.000 0.931 608 Q CB 0.410 29.059 28.738 -0.149 0.000 1.086 608 Q HN 0.622 nan 8.270 nan 0.000 0.528 609 A N 0.829 123.299 122.820 -0.584 0.000 3.113 609 A HA 0.357 2.681 4.320 -3.327 0.000 0.307 609 A C 0.070 177.399 177.584 -0.425 0.000 1.025 609 A CA -0.351 51.022 52.037 -1.107 0.000 1.012 609 A CB 0.086 18.711 19.000 -0.625 0.000 1.085 609 A HN 0.450 nan 8.150 nan 0.000 0.519 610 L N -0.382 120.726 121.223 -0.192 0.000 2.688 610 L HA 0.250 2.594 4.340 -3.327 0.000 0.216 610 L C 1.124 178.112 176.870 0.195 0.000 1.036 610 L CA 0.965 55.852 54.840 0.078 0.000 0.906 610 L CB 0.466 42.554 42.059 0.048 0.000 1.501 610 L HN 0.409 nan 8.230 nan 0.000 0.489 611 T N -1.494 113.172 114.554 0.187 0.000 2.901 611 T HA 0.057 2.411 4.350 -3.327 0.000 0.301 611 T C 0.816 175.647 174.700 0.218 0.000 1.012 611 T CA -0.483 61.725 62.100 0.179 0.000 1.135 611 T CB 1.091 70.044 68.868 0.142 0.000 0.936 611 T HN 0.229 nan 8.240 nan 0.000 0.539 612 Q N 2.134 122.007 119.800 0.122 0.000 2.437 612 Q HA -0.028 2.316 4.340 -3.327 0.000 0.210 612 Q C 2.168 178.187 176.000 0.031 0.000 0.972 612 Q CA 1.732 57.572 55.803 0.063 0.000 0.903 612 Q CB -0.571 28.183 28.738 0.027 0.000 0.967 612 Q HN 1.040 nan 8.270 nan 0.000 0.486 613 T N -5.306 109.282 114.554 0.056 0.000 2.990 613 T HA 0.411 2.765 4.350 -3.327 0.000 0.249 613 T C 1.319 176.051 174.700 0.054 0.000 1.039 613 T CA 0.610 62.730 62.100 0.033 0.000 1.036 613 T CB 0.828 69.708 68.868 0.020 0.000 0.994 613 T HN 0.293 nan 8.240 nan 0.000 0.489 614 G N 1.305 110.179 108.800 0.125 0.000 2.205 614 G HA2 -0.137 1.826 3.960 -3.327 0.000 0.180 614 G HA3 -0.137 1.826 3.960 -3.327 0.000 0.180 614 G C 0.191 175.175 174.900 0.141 0.000 1.004 614 G CA -0.565 44.633 45.100 0.163 0.000 0.670 614 G HN 0.530 nan 8.290 nan 0.000 0.496 615 R N -0.313 120.261 120.500 0.124 0.000 2.652 615 R HA 0.686 3.029 4.340 -3.327 0.000 0.271 615 R C 0.698 177.084 176.300 0.142 0.000 1.129 615 R CA -0.233 55.945 56.100 0.130 0.000 1.200 615 R CB 0.397 30.763 30.300 0.111 0.000 1.146 615 R HN 0.235 nan 8.270 nan 0.000 0.581 616 L N -0.183 121.144 121.223 0.173 0.000 2.416 616 L HA 0.427 2.771 4.340 -3.327 0.000 0.263 616 L C 0.257 177.274 176.870 0.246 0.000 1.065 616 L CA -0.476 54.461 54.840 0.162 0.000 0.798 616 L CB 1.514 43.639 42.059 0.111 0.000 1.267 616 L HN 0.715 nan 8.230 nan 0.000 0.467 617 S N -0.648 115.195 115.700 0.239 0.000 2.564 617 S HA 0.712 3.186 4.470 -3.327 0.000 0.274 617 S C -0.860 173.870 174.600 0.217 0.000 1.124 617 S CA -0.640 57.697 58.200 0.228 0.000 0.869 617 S CB 1.938 65.231 63.200 0.156 0.000 1.105 617 S HN 0.682 nan 8.310 nan 0.000 0.472 618 S N 0.906 116.675 115.700 0.114 0.000 2.568 618 S HA 0.863 3.337 4.470 -3.327 0.000 0.293 618 S C -0.758 173.795 174.600 -0.079 0.000 1.089 618 S CA -0.540 57.596 58.200 -0.106 0.000 0.945 618 S CB 1.798 64.787 63.200 -0.353 0.000 1.077 618 S HN 0.889 nan 8.310 nan 0.000 0.485 619 T N 1.386 115.862 114.554 -0.131 0.000 2.909 619 T HA 0.513 2.867 4.350 -3.327 0.000 0.299 619 T C -0.936 173.719 174.700 -0.075 0.000 1.073 619 T CA -0.301 61.757 62.100 -0.070 0.000 0.999 619 T CB 1.342 70.181 68.868 -0.048 0.000 1.098 619 T HN 0.953 nan 8.240 nan 0.000 0.477 620 E N 1.763 121.939 120.200 -0.041 0.000 2.240 620 E HA -0.138 2.216 4.350 -3.327 0.000 0.194 620 E C -2.555 174.034 176.600 -0.018 0.000 1.385 620 E CA -0.154 56.228 56.400 -0.030 0.000 0.686 620 E CB -0.310 29.365 29.700 -0.041 0.000 1.125 620 E HN 0.192 nan 8.360 nan 0.000 0.359 621 P HA 0.150 nan 4.420 nan 0.000 0.283 621 P C -0.680 176.621 177.300 0.002 0.000 1.271 621 P CA -0.638 62.472 63.100 0.018 0.000 0.841 621 P CB 0.749 32.496 31.700 0.078 0.000 1.122 622 N N 1.180 119.898 118.700 0.029 0.000 2.399 622 N HA 0.071 2.815 4.740 -3.327 0.000 0.259 622 N C 0.246 175.816 175.510 0.101 0.000 1.160 622 N CA 0.133 53.209 53.050 0.044 0.000 0.946 622 N CB -0.619 37.910 38.487 0.071 0.000 1.156 622 N HN 0.310 nan 8.380 nan 0.000 0.489 623 L N 2.659 123.915 121.223 0.056 0.000 2.685 623 L HA 0.179 2.523 4.340 -3.327 0.000 0.233 623 L C 1.236 178.195 176.870 0.148 0.000 1.173 623 L CA 0.140 55.041 54.840 0.101 0.000 0.961 623 L CB 0.033 42.096 42.059 0.006 0.000 1.217 623 L HN 0.562 nan 8.230 nan 0.000 0.478 624 Q N 0.178 120.058 119.800 0.134 0.000 2.247 624 Q HA 0.074 2.417 4.340 -3.327 0.000 0.211 624 Q C 0.679 176.778 176.000 0.165 0.000 0.861 624 Q CA 0.042 55.920 55.803 0.125 0.000 0.949 624 Q CB 0.457 29.228 28.738 0.056 0.000 1.115 624 Q HN 0.423 nan 8.270 nan 0.000 0.507 625 N N -0.063 118.745 118.700 0.181 0.000 2.338 625 N HA 0.057 2.801 4.740 -3.327 0.000 0.251 625 N C -0.446 175.156 175.510 0.152 0.000 1.199 625 N CA -0.183 52.976 53.050 0.182 0.000 0.879 625 N CB 0.370 38.987 38.487 0.216 0.000 1.159 625 N HN -0.052 nan 8.380 nan 0.000 0.514 626 I N 1.949 122.553 120.570 0.057 0.000 2.556 626 I HA 0.218 2.392 4.170 -3.327 0.000 0.284 626 I C -1.924 173.988 176.117 -0.341 0.000 1.114 626 I CA -2.135 59.062 61.300 -0.172 0.000 1.418 626 I CB 0.090 37.957 38.000 -0.223 0.000 1.394 626 I HN -0.018 nan 8.210 nan 0.000 0.552 627 P HA 0.188 nan 4.420 nan 0.000 0.268 627 P C 0.538 177.659 177.300 -0.298 0.000 1.204 627 P CA 0.194 63.072 63.100 -0.371 0.000 0.768 627 P CB 1.172 32.603 31.700 -0.448 0.000 0.842 628 I N 1.752 122.194 120.570 -0.213 0.000 4.916 628 I HA 0.147 2.320 4.170 -3.327 0.000 0.335 628 I C 1.877 177.912 176.117 -0.137 0.000 1.274 628 I CA -0.006 61.168 61.300 -0.210 0.000 1.365 628 I CB 0.437 38.302 38.000 -0.225 0.000 1.395 628 I HN 0.100 nan 8.210 nan 0.000 0.485 629 R N 0.618 121.064 120.500 -0.089 0.000 2.073 629 R HA 0.137 2.481 4.340 -3.327 0.000 0.229 629 R C 0.221 176.497 176.300 -0.040 0.000 1.120 629 R CA 0.931 57.002 56.100 -0.048 0.000 0.967 629 R CB 0.110 30.401 30.300 -0.015 0.000 0.862 629 R HN 0.221 nan 8.270 nan 0.000 0.436 630 L N 0.310 121.510 121.223 -0.038 0.000 2.325 630 L HA 0.189 2.532 4.340 -3.327 0.000 0.278 630 L C 1.049 177.908 176.870 -0.019 0.000 1.023 630 L CA -0.542 54.287 54.840 -0.019 0.000 0.811 630 L CB 1.772 43.831 42.059 -0.001 0.000 1.249 630 L HN -0.067 nan 8.230 nan 0.000 0.431 631 E N 1.541 121.741 120.200 -0.002 0.000 2.085 631 E HA -0.215 2.139 4.350 -3.327 0.000 0.194 631 E C 1.557 178.176 176.600 0.033 0.000 0.994 631 E CA 1.705 58.119 56.400 0.025 0.000 0.801 631 E CB 0.216 29.935 29.700 0.031 0.000 0.743 631 E HN 0.634 nan 8.360 nan 0.000 0.453 632 E N -0.882 119.329 120.200 0.019 0.000 2.049 632 E HA -0.192 2.162 4.350 -3.327 0.000 0.198 632 E C 2.047 178.645 176.600 -0.002 0.000 1.007 632 E CA 1.172 57.581 56.400 0.014 0.000 0.809 632 E CB -0.412 29.303 29.700 0.025 0.000 0.749 632 E HN 0.447 nan 8.360 nan 0.000 0.450 633 G N 0.780 109.565 108.800 -0.024 0.000 2.408 633 G HA2 -0.240 1.723 3.960 -3.327 0.000 0.215 633 G HA3 -0.240 1.723 3.960 -3.327 0.000 0.215 633 G C 1.485 176.334 174.900 -0.085 0.000 1.156 633 G CA 0.250 45.306 45.100 -0.073 0.000 0.793 633 G HN 0.066 nan 8.290 nan 0.000 0.535 634 R N 0.704 121.173 120.500 -0.051 0.000 2.139 634 R HA -0.094 2.250 4.340 -3.327 0.000 0.243 634 R C 2.189 178.579 176.300 0.151 0.000 1.145 634 R CA 1.382 57.464 56.100 -0.030 0.000 0.976 634 R CB -0.199 30.083 30.300 -0.029 0.000 0.866 634 R HN 0.258 nan 8.270 nan 0.000 0.449 635 K N 0.100 120.583 120.400 0.139 0.000 2.362 635 K HA -0.072 2.252 4.320 -3.327 0.000 0.200 635 K C 1.747 178.353 176.600 0.010 0.000 1.046 635 K CA 0.407 56.707 56.287 0.023 0.000 0.952 635 K CB 0.037 32.485 32.500 -0.087 0.000 0.753 635 K HN 0.171 nan 8.250 nan 0.000 0.466 636 I N 1.184 121.770 120.570 0.027 0.000 2.530 636 I HA -0.234 1.940 4.170 -3.327 0.000 0.257 636 I C 1.731 177.976 176.117 0.213 0.000 1.179 636 I CA 1.407 62.750 61.300 0.072 0.000 1.440 636 I CB -0.714 37.304 38.000 0.030 0.000 1.087 636 I HN 0.124 nan 8.210 nan 0.000 0.440 637 R N 0.106 120.718 120.500 0.186 0.000 2.276 637 R HA -0.059 2.285 4.340 -3.327 0.000 0.203 637 R C 1.926 178.474 176.300 0.414 0.000 1.017 637 R CA 0.276 56.567 56.100 0.318 0.000 1.010 637 R CB -0.149 30.062 30.300 -0.149 0.000 0.900 637 R HN 0.500 nan 8.270 nan 0.000 0.469 638 Q N 0.022 119.949 119.800 0.213 0.000 2.364 638 Q HA -0.037 2.307 4.340 -3.327 0.000 0.207 638 Q C 1.671 177.735 176.000 0.107 0.000 0.970 638 Q CA 1.245 57.109 55.803 0.101 0.000 0.888 638 Q CB 0.136 28.808 28.738 -0.111 0.000 0.951 638 Q HN 0.324 nan 8.270 nan 0.000 0.469 639 A N -0.143 122.734 122.820 0.095 0.000 2.251 639 A HA 0.095 2.419 4.320 -3.327 0.000 0.209 639 A C -0.085 177.384 177.584 -0.191 0.000 1.187 639 A CA 0.006 52.000 52.037 -0.072 0.000 0.823 639 A CB 0.116 19.013 19.000 -0.172 0.000 0.846 639 A HN 0.150 nan 8.150 nan 0.000 0.486 640 F N 0.346 120.408 119.950 0.185 0.000 2.385 640 F HA 0.490 3.021 4.527 -3.326 0.000 0.360 640 F C 0.213 176.111 175.800 0.163 0.000 1.122 640 F CA -0.672 57.447 58.000 0.198 0.000 1.090 640 F CB 1.782 41.007 39.000 0.374 0.000 1.150 640 F HN 0.046 nan 8.300 nan 0.000 0.472 641 V N 1.594 121.630 119.914 0.204 0.000 3.102 641 V HA 0.766 2.890 4.120 -3.327 0.000 0.312 641 V C -2.906 173.251 176.094 0.106 0.000 1.135 641 V CA -3.104 59.283 62.300 0.145 0.000 1.022 641 V CB 2.001 33.869 31.823 0.075 0.000 1.056 641 V HN 0.342 nan 8.190 nan 0.000 0.436 642 P HA 0.255 nan 4.420 nan 0.000 0.272 642 P C 0.709 177.996 177.300 -0.022 0.000 1.230 642 P CA 0.241 63.402 63.100 0.100 0.000 0.788 642 P CB 0.892 32.718 31.700 0.211 0.000 0.949 643 S N -0.667 114.950 115.700 -0.137 0.000 2.501 643 S HA 0.053 2.527 4.470 -3.327 0.000 0.220 643 S C 0.454 174.848 174.600 -0.344 0.000 0.997 643 S CA 0.195 58.254 58.200 -0.235 0.000 0.919 643 S CB -0.295 62.741 63.200 -0.274 0.000 0.778 643 S HN 0.439 nan 8.310 nan 0.000 0.523 644 E N 1.125 121.014 120.200 -0.518 0.000 2.334 644 E HA 0.526 2.880 4.350 -3.327 0.000 0.256 644 E C -1.013 175.441 176.600 -0.243 0.000 0.958 644 E CA -0.961 55.099 56.400 -0.567 0.000 0.821 644 E CB 1.414 30.383 29.700 -1.219 0.000 1.269 644 E HN 0.180 nan 8.360 nan 0.000 0.413 645 S N 0.981 116.615 115.700 -0.110 0.000 2.554 645 S HA 0.189 2.663 4.470 -3.327 0.000 0.278 645 S C -0.171 174.563 174.600 0.223 0.000 1.242 645 S CA -0.567 57.664 58.200 0.051 0.000 1.051 645 S CB 0.467 63.685 63.200 0.031 0.000 0.986 645 S HN 0.612 nan 8.310 nan 0.000 0.502 646 D N -0.718 119.815 120.400 0.221 0.000 3.090 646 D HA -0.120 2.523 4.640 -3.327 0.000 0.215 646 D C -0.967 175.525 176.300 0.320 0.000 1.140 646 D CA 1.048 55.188 54.000 0.234 0.000 0.937 646 D CB -1.091 39.817 40.800 0.181 0.000 1.108 646 D HN 0.565 nan 8.370 nan 0.000 0.420 647 W N 0.250 121.567 121.300 0.028 0.000 2.497 647 W HA 0.721 3.384 4.660 -3.327 0.000 0.359 647 W C 0.645 177.203 176.519 0.064 0.000 1.131 647 W CA -0.364 56.999 57.345 0.030 0.000 1.280 647 W CB 0.643 30.113 29.460 0.017 0.000 1.319 647 W HN -0.177 nan 8.180 nan 0.000 0.626 648 L N 2.846 124.225 121.223 0.259 0.000 2.393 648 L HA 0.442 2.785 4.340 -3.327 0.000 0.260 648 L C -0.528 176.501 176.870 0.266 0.000 1.002 648 L CA -1.314 53.677 54.840 0.251 0.000 0.818 648 L CB 1.675 43.885 42.059 0.253 0.000 1.369 648 L HN 0.017 nan 8.230 nan 0.000 0.412 649 I N 1.651 122.389 120.570 0.280 0.000 2.519 649 I HA 0.223 2.397 4.170 -3.327 0.000 0.287 649 I C -0.554 175.776 176.117 0.355 0.000 1.047 649 I CA 0.194 61.652 61.300 0.264 0.000 1.381 649 I CB 0.835 38.973 38.000 0.230 0.000 1.417 649 I HN 0.368 nan 8.210 nan 0.000 0.540 650 F N 5.346 125.379 119.950 0.138 0.000 2.536 650 F HA 0.678 3.209 4.527 -3.327 0.000 0.322 650 F C -0.552 175.326 175.800 0.129 0.000 1.144 650 F CA -0.580 57.516 58.000 0.160 0.000 0.924 650 F CB 1.436 40.466 39.000 0.049 0.000 1.181 650 F HN 0.474 nan 8.300 nan 0.000 0.438 651 A N 4.938 127.574 122.820 -0.308 0.000 2.291 651 A HA 0.858 3.181 4.320 -3.327 0.000 0.311 651 A C -1.182 176.217 177.584 -0.307 0.000 1.224 651 A CA -0.291 51.655 52.037 -0.151 0.000 0.821 651 A CB 0.600 19.650 19.000 0.084 0.000 1.172 651 A HN 1.147 nan 8.150 nan 0.000 0.494 652 A N 3.650 126.366 122.820 -0.172 0.000 2.304 652 A HA 0.687 3.011 4.320 -3.327 0.000 0.314 652 A C -0.541 176.992 177.584 -0.085 0.000 1.187 652 A CA -0.572 51.391 52.037 -0.123 0.000 0.810 652 A CB 0.537 19.522 19.000 -0.026 0.000 1.183 652 A HN 0.862 nan 8.150 nan 0.000 0.487 653 D N 1.420 121.773 120.400 -0.079 0.000 2.340 653 D HA 0.422 3.065 4.640 -3.327 0.000 0.240 653 D C -1.263 174.996 176.300 -0.070 0.000 1.001 653 D CA -0.379 53.604 54.000 -0.028 0.000 0.888 653 D CB 1.036 41.870 40.800 0.057 0.000 1.310 653 D HN 0.381 nan 8.370 nan 0.000 0.474 654 Y N 0.292 120.606 120.300 0.023 0.000 2.319 654 Y HA 0.188 2.742 4.550 -3.327 0.000 0.328 654 Y C 1.159 177.066 175.900 0.013 0.000 1.133 654 Y CA -0.150 57.955 58.100 0.008 0.000 1.265 654 Y CB 1.578 40.034 38.460 -0.006 0.000 1.218 654 Y HN 0.296 nan 8.280 nan 0.000 0.508 655 S N 4.649 120.454 115.700 0.174 0.000 2.416 655 S HA 0.106 2.580 4.470 -3.327 0.000 0.287 655 S C -0.343 174.312 174.600 0.092 0.000 1.139 655 S CA -0.663 57.606 58.200 0.115 0.000 1.058 655 S CB -0.062 63.188 63.200 0.083 0.000 0.967 655 S HN 0.715 nan 8.310 nan 0.000 0.495 656 Q N 3.139 122.998 119.800 0.098 0.000 2.431 656 Q HA -0.219 2.124 4.340 -3.327 0.000 0.344 656 Q C 0.708 176.683 176.000 -0.041 0.000 1.384 656 Q CA 0.582 56.433 55.803 0.080 0.000 0.984 656 Q CB -1.813 27.020 28.738 0.157 0.000 1.204 656 Q HN 0.899 nan 8.270 nan 0.000 0.392 657 I N -0.617 119.921 120.570 -0.053 0.000 2.252 657 I HA -0.274 1.900 4.170 -3.327 0.000 0.245 657 I C 2.129 178.136 176.117 -0.182 0.000 1.102 657 I CA 1.458 62.654 61.300 -0.174 0.000 1.385 657 I CB 0.234 38.072 38.000 -0.270 0.000 1.064 657 I HN 0.423 nan 8.210 nan 0.000 0.414 658 E N 0.565 120.701 120.200 -0.108 0.000 2.023 658 E HA -0.260 2.094 4.350 -3.327 0.000 0.196 658 E C 2.265 178.821 176.600 -0.072 0.000 1.003 658 E CA 1.511 57.860 56.400 -0.085 0.000 0.809 658 E CB -0.162 29.501 29.700 -0.061 0.000 0.755 658 E HN 0.483 nan 8.360 nan 0.000 0.449 659 L N 0.393 121.609 121.223 -0.012 0.000 2.191 659 L HA -0.190 2.153 4.340 -3.327 0.000 0.212 659 L C 2.544 179.363 176.870 -0.085 0.000 1.103 659 L CA 0.984 55.872 54.840 0.079 0.000 0.769 659 L CB -0.207 42.037 42.059 0.309 0.000 0.908 659 L HN 0.078 nan 8.230 nan 0.000 0.438 660 R N -0.977 119.248 120.500 -0.459 0.000 2.075 660 R HA -0.105 2.239 4.340 -3.327 0.000 0.232 660 R C 2.233 178.357 176.300 -0.293 0.000 1.126 660 R CA 1.016 56.685 56.100 -0.718 0.000 0.963 660 R CB -0.339 29.519 30.300 -0.737 0.000 0.858 660 R HN 0.148 nan 8.270 nan 0.000 0.435 661 V N 1.430 121.218 119.914 -0.210 0.000 2.332 661 V HA -0.252 1.872 4.120 -3.327 0.000 0.248 661 V C 2.183 178.236 176.094 -0.070 0.000 1.055 661 V CA 1.564 63.791 62.300 -0.122 0.000 1.038 661 V CB -0.493 31.254 31.823 -0.126 0.000 0.651 661 V HN 0.250 nan 8.190 nan 0.000 0.450 662 L N 0.926 122.096 121.223 -0.088 0.000 2.012 662 L HA -0.135 2.209 4.340 -3.327 0.000 0.210 662 L C 2.498 179.337 176.870 -0.051 0.000 1.073 662 L CA 2.413 57.183 54.840 -0.118 0.000 0.748 662 L CB -1.196 40.828 42.059 -0.059 0.000 0.891 662 L HN 0.242 nan 8.230 nan 0.000 0.431 663 A N -1.148 121.705 122.820 0.055 0.000 1.873 663 A HA -0.364 1.960 4.320 -3.327 0.000 0.218 663 A C 2.333 179.965 177.584 0.080 0.000 1.193 663 A CA 2.164 54.281 52.037 0.133 0.000 0.629 663 A CB -1.227 17.942 19.000 0.282 0.000 0.826 663 A HN 0.760 nan 8.150 nan 0.000 0.447 664 H N 0.716 119.764 119.070 -0.038 0.000 2.293 664 H HA -0.117 2.441 4.556 -3.329 0.000 0.300 664 H C 1.882 177.184 175.328 -0.043 0.000 1.082 664 H CA 2.345 58.369 56.048 -0.040 0.000 1.308 664 H CB -0.275 29.447 29.762 -0.068 0.000 1.375 664 H HN 0.547 nan 8.280 nan 0.000 0.495 665 I N -1.476 119.040 120.570 -0.090 0.000 2.202 665 I HA -0.034 2.140 4.170 -3.327 0.000 0.242 665 I C 2.498 178.537 176.117 -0.130 0.000 1.091 665 I CA 1.481 62.691 61.300 -0.150 0.000 1.368 665 I CB -1.060 36.872 38.000 -0.114 0.000 1.058 665 I HN 0.336 nan 8.210 nan 0.000 0.410 666 A N 0.478 123.203 122.820 -0.158 0.000 2.015 666 A HA -0.162 2.161 4.320 -3.327 0.000 0.219 666 A C 1.373 178.972 177.584 0.025 0.000 1.163 666 A CA 1.283 53.306 52.037 -0.024 0.000 0.646 666 A CB -0.745 18.246 19.000 -0.016 0.000 0.806 666 A HN 0.685 nan 8.150 nan 0.000 0.448 667 E N -0.730 119.460 120.200 -0.017 0.000 2.476 667 E HA -0.232 2.121 4.350 -3.327 0.000 0.251 667 E C -0.503 176.128 176.600 0.052 0.000 1.130 667 E CA 0.651 57.051 56.400 -0.001 0.000 0.736 667 E CB -1.607 28.079 29.700 -0.024 0.000 1.298 667 E HN 0.782 nan 8.360 nan 0.000 0.400 668 D N -0.356 120.099 120.400 0.090 0.000 2.383 668 D HA 0.029 2.673 4.640 -3.327 0.000 0.252 668 D C 0.834 177.204 176.300 0.117 0.000 1.166 668 D CA -0.094 53.986 54.000 0.133 0.000 0.879 668 D CB 0.825 41.753 40.800 0.213 0.000 1.164 668 D HN -0.018 nan 8.370 nan 0.000 0.462 669 D N 2.433 122.883 120.400 0.084 0.000 2.123 669 D HA -0.152 2.492 4.640 -3.327 0.000 0.200 669 D C 1.482 177.814 176.300 0.053 0.000 0.976 669 D CA 0.702 54.736 54.000 0.055 0.000 0.831 669 D CB -0.152 40.663 40.800 0.024 0.000 0.974 669 D HN 0.438 nan 8.370 nan 0.000 0.469 670 N N 0.346 119.073 118.700 0.045 0.000 2.084 670 N HA -0.124 2.620 4.740 -3.327 0.000 0.190 670 N C 1.674 177.247 175.510 0.104 0.000 1.030 670 N CA 0.652 53.703 53.050 0.002 0.000 0.849 670 N CB -0.354 38.028 38.487 -0.174 0.000 1.012 670 N HN 0.045 nan 8.380 nan 0.000 0.423 671 L N 0.256 121.621 121.223 0.236 0.000 2.056 671 L HA 0.075 2.419 4.340 -3.327 0.000 0.207 671 L C 2.367 179.319 176.870 0.136 0.000 1.078 671 L CA 1.290 56.230 54.840 0.166 0.000 0.749 671 L CB -0.442 41.724 42.059 0.177 0.000 0.901 671 L HN 0.266 nan 8.230 nan 0.000 0.433 672 M N -1.178 118.523 119.600 0.169 0.000 2.108 672 M HA -0.250 2.234 4.480 -3.327 0.000 0.261 672 M C 2.170 178.551 176.300 0.136 0.000 1.066 672 M CA 1.836 57.248 55.300 0.186 0.000 1.107 672 M CB -0.214 32.462 32.600 0.126 0.000 1.356 672 M HN 0.227 nan 8.290 nan 0.000 0.406 673 E N 0.504 120.745 120.200 0.068 0.000 2.031 673 E HA -0.162 2.192 4.350 -3.327 0.000 0.193 673 E C 1.824 178.422 176.600 -0.004 0.000 0.994 673 E CA 1.972 58.391 56.400 0.030 0.000 0.800 673 E CB -0.270 29.431 29.700 0.002 0.000 0.752 673 E HN 0.410 nan 8.360 nan 0.000 0.447 674 A N -0.342 122.431 122.820 -0.079 0.000 1.958 674 A HA -0.196 2.128 4.320 -3.327 0.000 0.221 674 A C 2.069 179.520 177.584 -0.222 0.000 1.178 674 A CA 1.799 53.714 52.037 -0.204 0.000 0.642 674 A CB -0.957 17.837 19.000 -0.344 0.000 0.816 674 A HN 0.384 nan 8.150 nan 0.000 0.453 675 F N -0.736 119.226 119.950 0.020 0.000 2.293 675 F HA 0.065 2.615 4.527 -3.295 0.000 0.297 675 F C 2.412 178.221 175.800 0.015 0.000 1.089 675 F CA 1.040 59.048 58.000 0.013 0.000 1.377 675 F CB -0.349 38.660 39.000 0.016 0.000 1.051 675 F HN 0.094 nan 8.300 nan 0.000 0.511 676 R N -0.164 120.442 120.500 0.177 0.000 2.189 676 R HA -0.028 2.315 4.340 -3.327 0.000 0.223 676 R C 1.830 178.172 176.300 0.070 0.000 1.092 676 R CA 0.728 56.893 56.100 0.109 0.000 0.989 676 R CB -0.176 30.172 30.300 0.081 0.000 0.876 676 R HN 0.202 nan 8.270 nan 0.000 0.457 677 R N 0.313 120.842 120.500 0.049 0.000 2.310 677 R HA -0.028 2.316 4.340 -3.327 0.000 0.202 677 R C -0.089 176.228 176.300 0.029 0.000 0.933 677 R CA 0.198 56.311 56.100 0.023 0.000 1.054 677 R CB 0.110 30.406 30.300 -0.007 0.000 0.985 677 R HN 0.041 nan 8.270 nan 0.000 0.489 678 D N 0.866 121.304 120.400 0.064 0.000 2.686 678 D HA -0.188 2.456 4.640 -3.327 0.000 0.235 678 D C -0.862 175.456 176.300 0.030 0.000 1.160 678 D CA 0.546 54.592 54.000 0.077 0.000 0.645 678 D CB -0.981 39.858 40.800 0.065 0.000 1.039 678 D HN 0.146 nan 8.370 nan 0.000 0.423 679 L N 0.227 121.439 121.223 -0.018 0.000 2.466 679 L HA 0.241 2.585 4.340 -3.327 0.000 0.257 679 L C 1.099 177.930 176.870 -0.065 0.000 1.189 679 L CA -0.279 54.527 54.840 -0.055 0.000 0.813 679 L CB 0.435 42.433 42.059 -0.103 0.000 1.118 679 L HN 0.119 nan 8.230 nan 0.000 0.471 680 D N 0.508 120.872 120.400 -0.061 0.000 2.371 680 D HA 0.037 2.681 4.640 -3.327 0.000 0.256 680 D C 0.669 176.886 176.300 -0.137 0.000 1.193 680 D CA -0.069 53.886 54.000 -0.076 0.000 0.881 680 D CB 0.861 41.639 40.800 -0.036 0.000 1.143 680 D HN 0.336 nan 8.370 nan 0.000 0.473 681 I N 4.175 124.601 120.570 -0.238 0.000 2.852 681 I HA -0.095 2.078 4.170 -3.327 0.000 0.264 681 I C 1.502 177.499 176.117 -0.200 0.000 1.179 681 I CA 1.057 62.183 61.300 -0.290 0.000 1.480 681 I CB -0.277 37.510 38.000 -0.355 0.000 1.111 681 I HN 0.580 nan 8.210 nan 0.000 0.441 682 H N -0.228 118.807 119.070 -0.057 0.000 2.326 682 H HA -0.027 2.527 4.556 -3.337 0.000 0.301 682 H C 2.142 177.436 175.328 -0.057 0.000 1.081 682 H CA 1.879 57.883 56.048 -0.073 0.000 1.334 682 H CB -1.104 28.607 29.762 -0.084 0.000 1.385 682 H HN 0.232 nan 8.280 nan 0.000 0.504 683 T N 1.385 115.980 114.554 0.067 0.000 2.684 683 T HA -0.186 2.168 4.350 -3.327 0.000 0.267 683 T C 2.099 176.798 174.700 -0.002 0.000 1.036 683 T CA 2.041 64.157 62.100 0.027 0.000 1.148 683 T CB -0.053 68.821 68.868 0.009 0.000 0.863 683 T HN 0.223 nan 8.240 nan 0.000 0.436 684 K N 1.045 121.426 120.400 -0.032 0.000 2.063 684 K HA -0.110 2.213 4.320 -3.327 0.000 0.208 684 K C 2.258 178.845 176.600 -0.021 0.000 1.048 684 K CA 1.917 58.176 56.287 -0.045 0.000 0.928 684 K CB -0.945 31.504 32.500 -0.086 0.000 0.713 684 K HN 0.238 nan 8.250 nan 0.000 0.442 685 T N 0.394 114.949 114.554 0.003 0.000 2.708 685 T HA -0.075 2.279 4.350 -3.327 0.000 0.266 685 T C 1.818 176.459 174.700 -0.099 0.000 1.037 685 T CA 1.462 63.575 62.100 0.021 0.000 1.146 685 T CB -0.613 68.278 68.868 0.039 0.000 0.865 685 T HN 0.429 nan 8.240 nan 0.000 0.435 686 A N 1.461 124.235 122.820 -0.078 0.000 1.917 686 A HA -0.185 2.138 4.320 -3.327 0.000 0.219 686 A C 2.334 179.896 177.584 -0.038 0.000 1.182 686 A CA 1.964 53.959 52.037 -0.069 0.000 0.633 686 A CB -0.809 18.244 19.000 0.088 0.000 0.819 686 A HN 0.484 nan 8.150 nan 0.000 0.448 687 M N -0.906 118.680 119.600 -0.024 0.000 2.108 687 M HA -0.207 2.276 4.480 -3.327 0.000 0.261 687 M C 1.615 177.871 176.300 -0.074 0.000 1.066 687 M CA 2.114 57.398 55.300 -0.025 0.000 1.107 687 M CB -0.501 32.078 32.600 -0.036 0.000 1.356 687 M HN 0.399 nan 8.290 nan 0.000 0.406 688 D N 0.261 120.581 120.400 -0.134 0.000 2.110 688 D HA -0.059 2.585 4.640 -3.327 0.000 0.202 688 D C 1.847 178.012 176.300 -0.224 0.000 0.975 688 D CA 1.258 55.141 54.000 -0.196 0.000 0.839 688 D CB -0.360 40.260 40.800 -0.300 0.000 0.996 688 D HN 0.485 nan 8.370 nan 0.000 0.464 689 I N -1.998 118.378 120.570 -0.324 0.000 2.394 689 I HA -0.127 2.046 4.170 -3.327 0.000 0.251 689 I C 0.856 176.707 176.117 -0.443 0.000 1.136 689 I CA 1.271 62.308 61.300 -0.439 0.000 1.425 689 I CB -0.305 37.327 38.000 -0.614 0.000 1.079 689 I HN -0.187 nan 8.210 nan 0.000 0.425 690 F N 1.767 121.649 119.950 -0.115 0.000 2.693 690 F HA 0.302 2.866 4.527 -3.273 0.000 0.303 690 F C 0.687 176.446 175.800 -0.068 0.000 1.097 690 F CA -0.824 57.116 58.000 -0.101 0.000 1.330 690 F CB -0.609 38.323 39.000 -0.114 0.000 1.067 690 F HN 0.100 nan 8.300 nan 0.000 0.565 691 Q N 0.768 120.600 119.800 0.052 0.000 2.439 691 Q HA -0.160 2.184 4.340 -3.327 0.000 0.325 691 Q C -0.278 175.741 176.000 0.030 0.000 1.372 691 Q CA 0.893 56.708 55.803 0.020 0.000 0.909 691 Q CB -1.950 26.802 28.738 0.023 0.000 1.167 691 Q HN 0.410 nan 8.270 nan 0.000 0.418 692 V N -3.510 116.423 119.914 0.033 0.000 3.158 692 V HA 0.881 3.004 4.120 -3.327 0.000 0.311 692 V C 0.417 176.514 176.094 0.005 0.000 1.181 692 V CA -0.350 61.964 62.300 0.024 0.000 1.054 692 V CB 2.307 34.155 31.823 0.041 0.000 1.085 692 V HN 0.335 nan 8.190 nan 0.000 0.446 693 S N -0.610 115.090 115.700 0.000 0.000 2.652 693 S HA 0.357 2.830 4.470 -3.327 0.000 0.270 693 S C 0.928 175.526 174.600 -0.003 0.000 1.243 693 S CA 0.388 58.584 58.200 -0.007 0.000 0.999 693 S CB 1.252 64.446 63.200 -0.009 0.000 0.973 693 S HN 1.067 nan 8.310 nan 0.000 0.544 694 E N 0.764 120.959 120.200 -0.008 0.000 2.114 694 E HA -0.280 2.074 4.350 -3.327 0.000 0.199 694 E C 0.802 177.401 176.600 -0.002 0.000 1.008 694 E CA 1.972 58.368 56.400 -0.006 0.000 0.810 694 E CB -0.271 29.423 29.700 -0.010 0.000 0.739 694 E HN 0.754 nan 8.360 nan 0.000 0.456 695 D N -0.284 120.114 120.400 -0.004 0.000 2.347 695 D HA -0.087 2.556 4.640 -3.327 0.000 0.215 695 D C 1.261 177.558 176.300 -0.004 0.000 0.976 695 D CA 0.565 54.563 54.000 -0.004 0.000 0.884 695 D CB 0.054 40.850 40.800 -0.006 0.000 0.915 695 D HN 0.380 nan 8.370 nan 0.000 0.526 696 E N 0.442 120.641 120.200 -0.002 0.000 2.371 696 E HA 0.010 2.364 4.350 -3.327 0.000 0.194 696 E C 0.372 176.972 176.600 0.001 0.000 1.012 696 E CA -0.073 56.325 56.400 -0.003 0.000 0.860 696 E CB 0.703 30.402 29.700 -0.001 0.000 0.811 696 E HN -0.031 nan 8.360 nan 0.000 0.502 697 V N 3.383 123.304 119.914 0.012 0.000 2.425 697 V HA -0.035 2.088 4.120 -3.327 0.000 0.276 697 V C 0.715 176.813 176.094 0.006 0.000 1.017 697 V CA 0.215 62.529 62.300 0.024 0.000 1.062 697 V CB 0.018 31.863 31.823 0.036 0.000 0.997 697 V HN 0.227 nan 8.190 nan 0.000 0.476 698 T N 4.024 118.573 114.554 -0.008 0.000 2.874 698 T HA 0.335 2.689 4.350 -3.327 0.000 0.281 698 T C -1.643 173.051 174.700 -0.010 0.000 0.994 698 T CA -1.837 60.251 62.100 -0.019 0.000 1.015 698 T CB 1.345 70.188 68.868 -0.042 0.000 1.028 698 T HN 0.369 nan 8.240 nan 0.000 0.523 699 P HA -0.056 nan 4.420 nan 0.000 0.216 699 P C 1.376 178.669 177.300 -0.011 0.000 1.150 699 P CA 0.898 63.992 63.100 -0.009 0.000 0.837 699 P CB -0.025 31.669 31.700 -0.011 0.000 0.786 700 N N -1.126 117.561 118.700 -0.021 0.000 2.171 700 N HA -0.076 2.668 4.740 -3.327 0.000 0.184 700 N C 1.669 177.172 175.510 -0.012 0.000 1.021 700 N CA 1.105 54.143 53.050 -0.021 0.000 0.854 700 N CB -0.610 37.857 38.487 -0.033 0.000 0.994 700 N HN -0.026 nan 8.380 nan 0.000 0.426 701 M N -0.348 119.235 119.600 -0.028 0.000 2.195 701 M HA -0.181 2.302 4.480 -3.327 0.000 0.260 701 M C 2.232 178.618 176.300 0.142 0.000 1.066 701 M CA 1.367 56.693 55.300 0.042 0.000 1.089 701 M CB -0.138 32.472 32.600 0.017 0.000 1.377 701 M HN 0.166 nan 8.290 nan 0.000 0.411 702 R N 0.186 120.720 120.500 0.057 0.000 2.093 702 R HA -0.066 2.278 4.340 -3.327 0.000 0.224 702 R C 2.283 178.558 176.300 -0.041 0.000 1.101 702 R CA 1.100 57.217 56.100 0.028 0.000 0.979 702 R CB -0.118 30.196 30.300 0.024 0.000 0.877 702 R HN 0.214 nan 8.270 nan 0.000 0.441 703 R N 0.164 120.640 120.500 -0.040 0.000 2.127 703 R HA -0.146 2.198 4.340 -3.327 0.000 0.238 703 R C 1.956 178.205 176.300 -0.086 0.000 1.134 703 R CA 1.870 57.923 56.100 -0.079 0.000 0.975 703 R CB 0.053 30.330 30.300 -0.038 0.000 0.865 703 R HN 0.422 nan 8.270 nan 0.000 0.447 704 Q N -0.929 118.867 119.800 -0.006 0.000 2.123 704 Q HA 0.015 2.359 4.340 -3.327 0.000 0.196 704 Q C 2.091 178.073 176.000 -0.031 0.000 0.958 704 Q CA 1.009 56.837 55.803 0.043 0.000 0.841 704 Q CB 0.068 28.908 28.738 0.169 0.000 0.915 704 Q HN 0.349 nan 8.270 nan 0.000 0.455 705 A N 1.784 124.576 122.820 -0.048 0.000 2.024 705 A HA -0.211 2.112 4.320 -3.327 0.000 0.220 705 A C 2.034 179.505 177.584 -0.188 0.000 1.164 705 A CA 1.383 53.345 52.037 -0.125 0.000 0.643 705 A CB -0.341 18.605 19.000 -0.089 0.000 0.806 705 A HN 0.162 nan 8.150 nan 0.000 0.451 706 K N -0.330 119.856 120.400 -0.357 0.000 1.967 706 K HA -0.071 2.253 4.320 -3.327 0.000 0.212 706 K C 2.285 178.505 176.600 -0.634 0.000 1.044 706 K CA 1.142 56.958 56.287 -0.785 0.000 0.942 706 K CB -0.447 31.488 32.500 -0.941 0.000 0.726 706 K HN 0.321 nan 8.250 nan 0.000 0.440 707 A N 0.957 123.547 122.820 -0.384 0.000 1.929 707 A HA -0.232 2.092 4.320 -3.327 0.000 0.221 707 A C 2.298 179.795 177.584 -0.146 0.000 1.211 707 A CA 2.417 54.333 52.037 -0.201 0.000 0.657 707 A CB -1.082 17.886 19.000 -0.053 0.000 0.827 707 A HN 0.249 nan 8.150 nan 0.000 0.462 708 V N 0.414 120.253 119.914 -0.125 0.000 2.307 708 V HA -0.259 1.864 4.120 -3.327 0.000 0.245 708 V C 2.380 178.359 176.094 -0.192 0.000 1.045 708 V CA 2.131 64.364 62.300 -0.113 0.000 1.024 708 V CB -0.982 30.792 31.823 -0.083 0.000 0.651 708 V HN 0.582 nan 8.190 nan 0.000 0.449 709 N N 0.202 118.784 118.700 -0.197 0.000 2.061 709 N HA -0.159 2.584 4.740 -3.327 0.000 0.193 709 N C 1.771 177.277 175.510 -0.006 0.000 1.030 709 N CA 1.855 54.840 53.050 -0.108 0.000 0.856 709 N CB -0.478 38.007 38.487 -0.003 0.000 1.023 709 N HN 0.565 nan 8.380 nan 0.000 0.424 710 F N 0.329 120.124 119.950 -0.259 0.000 2.325 710 F HA -0.010 2.521 4.527 -3.327 0.000 0.299 710 F C 2.469 177.916 175.800 -0.588 0.000 1.090 710 F CA 0.090 57.775 58.000 -0.526 0.000 1.392 710 F CB -0.280 38.421 39.000 -0.497 0.000 1.053 710 F HN 0.121 nan 8.300 nan 0.000 0.521 711 G N 1.215 109.949 108.800 -0.110 0.000 2.446 711 G HA2 -0.238 1.725 3.960 -3.327 0.000 0.217 711 G HA3 -0.238 1.725 3.960 -3.327 0.000 0.217 711 G C 1.580 176.428 174.900 -0.086 0.000 1.168 711 G CA 0.573 45.637 45.100 -0.060 0.000 0.771 711 G HN 0.143 nan 8.290 nan 0.000 0.551 712 I N 0.651 121.099 120.570 -0.203 0.000 2.208 712 I HA -0.119 2.055 4.170 -3.327 0.000 0.245 712 I C 2.961 179.049 176.117 -0.048 0.000 1.097 712 I CA 0.790 61.965 61.300 -0.210 0.000 1.363 712 I CB -0.934 36.779 38.000 -0.479 0.000 1.051 712 I HN 0.036 nan 8.210 nan 0.000 0.413 713 V N 0.203 120.063 119.914 -0.090 0.000 2.343 713 V HA -0.283 1.841 4.120 -3.327 0.000 0.247 713 V C 2.224 178.402 176.094 0.140 0.000 1.051 713 V CA 1.682 63.960 62.300 -0.038 0.000 1.036 713 V CB -0.623 31.094 31.823 -0.177 0.000 0.654 713 V HN 0.298 nan 8.190 nan 0.000 0.451 714 Y N 0.366 120.704 120.300 0.064 0.000 2.546 714 Y HA 0.331 2.890 4.550 -3.317 0.000 0.287 714 Y C 2.020 177.969 175.900 0.081 0.000 1.158 714 Y CA -0.014 58.125 58.100 0.065 0.000 1.307 714 Y CB -0.887 37.611 38.460 0.063 0.000 1.036 714 Y HN 0.363 nan 8.280 nan 0.000 0.532 715 G N 0.600 109.529 108.800 0.215 0.000 2.143 715 G HA2 -0.317 1.646 3.960 -3.327 0.000 0.248 715 G HA3 -0.317 1.646 3.960 -3.327 0.000 0.248 715 G C 0.369 175.356 174.900 0.145 0.000 0.991 715 G CA 0.161 45.362 45.100 0.170 0.000 0.689 715 G HN 0.338 nan 8.290 nan 0.000 0.522 716 I N 1.632 122.288 120.570 0.145 0.000 3.003 716 I HA 0.151 2.324 4.170 -3.327 0.000 0.294 716 I C 1.585 177.754 176.117 0.087 0.000 1.237 716 I CA 0.908 62.279 61.300 0.118 0.000 1.417 716 I CB 0.573 38.647 38.000 0.124 0.000 1.340 716 I HN 0.472 nan 8.210 nan 0.000 0.594 717 S N 2.364 118.112 115.700 0.081 0.000 2.707 717 S HA 0.159 2.632 4.470 -3.327 0.000 0.276 717 S C 0.662 175.299 174.600 0.063 0.000 1.179 717 S CA -0.488 57.761 58.200 0.083 0.000 0.992 717 S CB 1.308 64.561 63.200 0.088 0.000 1.030 717 S HN 0.688 nan 8.310 nan 0.000 0.554 718 D N 0.421 120.859 120.400 0.063 0.000 2.133 718 D HA -0.232 2.412 4.640 -3.327 0.000 0.195 718 D C 2.135 178.447 176.300 0.020 0.000 0.997 718 D CA 2.492 56.510 54.000 0.030 0.000 0.840 718 D CB -1.439 39.377 40.800 0.028 0.000 0.947 718 D HN 0.760 nan 8.370 nan 0.000 0.452 719 Y N 1.045 121.370 120.300 0.041 0.000 2.181 719 Y HA 0.095 2.649 4.550 -3.327 0.000 0.288 719 Y C 2.933 178.851 175.900 0.029 0.000 1.146 719 Y CA 1.837 59.957 58.100 0.034 0.000 1.164 719 Y CB -1.419 37.074 38.460 0.055 0.000 0.982 719 Y HN 0.268 nan 8.280 nan 0.000 0.515 720 G N -0.482 108.341 108.800 0.038 0.000 2.408 720 G HA2 -0.091 1.872 3.960 -3.327 0.000 0.217 720 G HA3 -0.091 1.872 3.960 -3.327 0.000 0.217 720 G C 1.763 176.691 174.900 0.047 0.000 1.150 720 G CA 1.127 46.251 45.100 0.041 0.000 0.776 720 G HN 0.531 nan 8.290 nan 0.000 0.542 721 L N 1.309 122.556 121.223 0.040 0.000 2.044 721 L HA 0.261 2.604 4.340 -3.327 0.000 0.205 721 L C 3.116 179.995 176.870 0.015 0.000 1.075 721 L CA 1.756 56.617 54.840 0.034 0.000 0.747 721 L CB -0.987 41.087 42.059 0.024 0.000 0.903 721 L HN 0.250 nan 8.230 nan 0.000 0.435 722 A N -0.798 122.018 122.820 -0.007 0.000 1.859 722 A HA -0.362 1.961 4.320 -3.327 0.000 0.218 722 A C 2.305 179.889 177.584 -0.001 0.000 1.209 722 A CA 2.395 54.417 52.037 -0.024 0.000 0.639 722 A CB -1.049 17.937 19.000 -0.024 0.000 0.835 722 A HN 0.634 nan 8.150 nan 0.000 0.450 723 Q N -0.443 119.365 119.800 0.012 0.000 2.096 723 Q HA -0.242 2.101 4.340 -3.327 0.000 0.204 723 Q C 2.127 178.146 176.000 0.031 0.000 0.982 723 Q CA 1.905 57.720 55.803 0.021 0.000 0.850 723 Q CB -0.410 28.341 28.738 0.023 0.000 0.901 723 Q HN 0.793 nan 8.270 nan 0.000 0.422 724 N N 0.012 118.736 118.700 0.040 0.000 2.104 724 N HA -0.145 2.599 4.740 -3.327 0.000 0.190 724 N C 1.770 177.309 175.510 0.049 0.000 1.024 724 N CA 1.075 54.157 53.050 0.053 0.000 0.853 724 N CB -0.032 38.496 38.487 0.069 0.000 1.008 724 N HN 0.318 nan 8.380 nan 0.000 0.424 725 L N 0.002 121.253 121.223 0.047 0.000 2.558 725 L HA 0.061 2.405 4.340 -3.327 0.000 0.225 725 L C 0.441 177.336 176.870 0.043 0.000 1.128 725 L CA 0.111 54.985 54.840 0.057 0.000 0.868 725 L CB -0.070 42.043 42.059 0.089 0.000 1.006 725 L HN 0.215 nan 8.230 nan 0.000 0.454 726 N N -0.913 117.805 118.700 0.030 0.000 2.967 726 N HA -0.156 2.588 4.740 -3.327 0.000 0.241 726 N C -0.050 175.467 175.510 0.012 0.000 0.983 726 N CA 0.977 54.042 53.050 0.024 0.000 0.918 726 N CB -0.624 37.882 38.487 0.031 0.000 1.109 726 N HN 0.250 nan 8.380 nan 0.000 0.567 727 I N -2.456 118.111 120.570 -0.004 0.000 4.317 727 I HA 0.600 2.774 4.170 -3.327 0.000 0.222 727 I C 0.925 177.019 176.117 -0.039 0.000 1.154 727 I CA -0.507 60.777 61.300 -0.026 0.000 1.457 727 I CB 0.041 38.011 38.000 -0.051 0.000 1.384 727 I HN 0.120 nan 8.210 nan 0.000 0.453 728 S N -0.829 114.832 115.700 -0.065 0.000 2.532 728 S HA 0.636 3.110 4.470 -3.327 0.000 0.301 728 S C 0.747 175.298 174.600 -0.081 0.000 1.083 728 S CA -0.051 58.116 58.200 -0.056 0.000 1.025 728 S CB 2.122 65.295 63.200 -0.044 0.000 1.056 728 S HN 0.845 nan 8.310 nan 0.000 0.494 729 R N 1.540 122.010 120.500 -0.051 0.000 2.152 729 R HA -0.027 2.317 4.340 -3.327 0.000 0.232 729 R C 1.910 178.181 176.300 -0.049 0.000 1.117 729 R CA 2.190 58.264 56.100 -0.044 0.000 0.981 729 R CB -1.558 nan 30.300 nan 0.000 0.870 729 R HN 0.785 nan 8.270 nan 0.000 0.451 730 K N 1.462 121.835 120.400 -0.046 0.000 2.097 730 K HA -0.171 2.153 4.320 -3.327 0.000 0.206 730 K C 2.041 178.605 176.600 -0.059 0.000 1.049 730 K CA 2.233 58.499 56.287 -0.035 0.000 0.933 730 K CB -0.046 32.439 32.500 -0.025 0.000 0.717 730 K HN 0.775 nan 8.250 nan 0.000 0.442 731 E N -1.209 118.921 120.200 -0.117 0.000 2.276 731 E HA 0.051 2.405 4.350 -3.327 0.000 0.193 731 E C 1.780 178.120 176.600 -0.432 0.000 0.983 731 E CA 0.593 56.867 56.400 -0.211 0.000 0.861 731 E CB -0.165 29.404 29.700 -0.218 0.000 0.817 731 E HN 0.225 nan 8.360 nan 0.000 0.485 732 A N 1.752 124.359 122.820 -0.355 0.000 1.969 732 A HA 0.082 2.406 4.320 -3.327 0.000 0.218 732 A C 2.406 179.911 177.584 -0.132 0.000 1.169 732 A CA 1.454 53.290 52.037 -0.335 0.000 0.635 732 A CB -0.491 18.410 19.000 -0.166 0.000 0.810 732 A HN 0.392 nan 8.150 nan 0.000 0.445 733 A N -0.168 122.618 122.820 -0.057 0.000 2.067 733 A HA 0.004 2.327 4.320 -3.327 0.000 0.217 733 A C 1.791 179.423 177.584 0.080 0.000 1.156 733 A CA 1.141 53.199 52.037 0.035 0.000 0.683 733 A CB -0.303 18.725 19.000 0.046 0.000 0.808 733 A HN 0.633 nan 8.150 nan 0.000 0.455 734 E N -0.600 119.636 120.200 0.060 0.000 2.072 734 E HA -0.127 2.227 4.350 -3.327 0.000 0.191 734 E C 1.526 178.310 176.600 0.307 0.000 0.985 734 E CA 0.993 57.486 56.400 0.155 0.000 0.801 734 E CB -0.308 29.481 29.700 0.148 0.000 0.750 734 E HN 0.570 nan 8.360 nan 0.000 0.452 735 F N 1.266 121.252 119.950 0.060 0.000 2.069 735 F HA -0.171 2.368 4.527 -3.313 0.000 0.298 735 F C 2.304 178.108 175.800 0.008 0.000 1.113 735 F CA 0.730 58.749 58.000 0.032 0.000 1.214 735 F CB -0.955 38.060 39.000 0.024 0.000 0.978 735 F HN -0.006 nan 8.300 nan 0.000 0.474 736 I N -0.075 120.612 120.570 0.195 0.000 2.127 736 I HA -0.328 1.846 4.170 -3.327 0.000 0.241 736 I C 2.537 178.710 176.117 0.094 0.000 1.075 736 I CA 1.828 63.139 61.300 0.018 0.000 1.334 736 I CB -0.531 37.483 38.000 0.023 0.000 1.040 736 I HN 0.213 nan 8.210 nan 0.000 0.405 737 E N 0.902 121.219 120.200 0.195 0.000 2.118 737 E HA -0.318 2.036 4.350 -3.327 0.000 0.195 737 E C 2.264 178.991 176.600 0.211 0.000 0.992 737 E CA 1.435 57.981 56.400 0.243 0.000 0.804 737 E CB 0.023 29.833 29.700 0.183 0.000 0.741 737 E HN 0.167 nan 8.360 nan 0.000 0.458 738 R N -0.410 120.189 120.500 0.166 0.000 2.115 738 R HA -0.147 2.197 4.340 -3.327 0.000 0.226 738 R C 2.087 178.433 176.300 0.077 0.000 1.100 738 R CA 1.448 57.609 56.100 0.103 0.000 0.980 738 R CB -0.874 29.473 30.300 0.079 0.000 0.875 738 R HN 0.338 nan 8.270 nan 0.000 0.445 739 Y N -0.260 120.018 120.300 -0.037 0.000 2.114 739 Y HA -0.180 2.571 4.550 -2.997 0.000 0.284 739 Y C 1.413 177.402 175.900 0.147 0.000 1.143 739 Y CA 1.849 59.945 58.100 -0.006 0.000 1.135 739 Y CB -0.475 37.857 38.460 -0.213 0.000 0.980 739 Y HN 0.031 nan 8.280 nan 0.000 0.499 740 F N 0.858 121.084 119.950 0.461 0.000 2.408 740 F HA -0.085 2.448 4.527 -3.323 0.000 0.300 740 F C 2.233 178.108 175.800 0.124 0.000 1.090 740 F CA 1.325 59.526 58.000 0.336 0.000 1.427 740 F CB -0.719 38.444 39.000 0.272 0.000 1.070 740 F HN 0.197 nan 8.300 nan 0.000 0.549 741 E N -0.508 119.816 120.200 0.206 0.000 2.107 741 E HA -0.106 2.248 4.350 -3.327 0.000 0.191 741 E C 2.161 178.703 176.600 -0.097 0.000 0.982 741 E CA 1.280 57.713 56.400 0.055 0.000 0.809 741 E CB -0.028 29.692 29.700 0.032 0.000 0.756 741 E HN 0.178 nan 8.360 nan 0.000 0.459 742 S N -0.229 115.308 115.700 -0.271 0.000 2.496 742 S HA 0.045 2.519 4.470 -3.327 0.000 0.224 742 S C 0.133 174.146 174.600 -0.979 0.000 0.996 742 S CA 0.378 58.180 58.200 -0.664 0.000 0.927 742 S CB 0.204 62.839 63.200 -0.941 0.000 0.774 742 S HN 0.123 nan 8.310 nan 0.000 0.524 743 F N 1.516 121.373 119.950 -0.155 0.000 2.542 743 F HA 0.364 4.634 4.527 -0.428 0.000 0.323 743 F C -1.946 173.944 175.800 0.150 0.000 1.411 743 F CA -2.464 55.498 58.000 -0.062 0.000 1.124 743 F CB 0.867 39.726 39.000 -0.236 0.000 1.331 743 F HN -0.046 nan 8.300 nan 0.000 0.560 744 P HA -0.160 nan 4.420 nan 0.000 0.217 744 P C 1.742 179.140 177.300 0.164 0.000 1.148 744 P CA 1.597 64.793 63.100 0.161 0.000 0.828 744 P CB 0.308 32.050 31.700 0.071 0.000 0.783 745 G N 0.001 108.912 108.800 0.183 0.000 2.403 745 G HA2 -0.150 1.814 3.960 -3.327 0.000 0.216 745 G HA3 -0.150 1.814 3.960 -3.327 0.000 0.216 745 G C 1.730 176.767 174.900 0.228 0.000 1.154 745 G CA 0.387 45.587 45.100 0.168 0.000 0.784 745 G HN 0.177 nan 8.290 nan 0.000 0.538 746 V N 0.682 120.797 119.914 0.335 0.000 2.358 746 V HA -0.123 2.001 4.120 -3.327 0.000 0.246 746 V C 2.677 179.014 176.094 0.405 0.000 1.047 746 V CA 2.185 64.737 62.300 0.421 0.000 1.035 746 V CB -0.306 31.840 31.823 0.538 0.000 0.658 746 V HN 0.418 nan 8.190 nan 0.000 0.452 747 K N 0.468 121.034 120.400 0.276 0.000 2.001 747 K HA -0.296 2.027 4.320 -3.327 0.000 0.214 747 K C 2.386 178.859 176.600 -0.212 0.000 1.050 747 K CA 2.325 58.315 56.287 -0.494 0.000 0.934 747 K CB -0.312 31.873 32.500 -0.526 0.000 0.718 747 K HN 0.326 nan 8.250 nan 0.000 0.443 748 R N -0.371 120.105 120.500 -0.039 0.000 2.117 748 R HA -0.246 2.097 4.340 -3.327 0.000 0.243 748 R C 2.364 178.678 176.300 0.022 0.000 1.143 748 R CA 2.021 58.116 56.100 -0.009 0.000 0.968 748 R CB -0.552 29.770 30.300 0.037 0.000 0.863 748 R HN 0.446 nan 8.270 nan 0.000 0.444 749 Y N 0.680 120.978 120.300 -0.003 0.000 2.163 749 Y HA -0.185 2.367 4.550 -3.330 0.000 0.288 749 Y C 2.089 177.988 175.900 -0.002 0.000 1.136 749 Y CA 1.722 59.829 58.100 0.012 0.000 1.147 749 Y CB -0.149 38.342 38.460 0.052 0.000 0.987 749 Y HN -0.003 nan 8.280 nan 0.000 0.509 750 M N 0.780 120.290 119.600 -0.150 0.000 2.106 750 M HA -0.233 2.250 4.480 -3.327 0.000 0.259 750 M C 1.909 178.057 176.300 -0.254 0.000 1.068 750 M CA 1.820 56.983 55.300 -0.229 0.000 1.100 750 M CB -1.359 31.224 32.600 -0.029 0.000 1.351 750 M HN 0.441 nan 8.290 nan 0.000 0.404 751 E N 0.225 120.304 120.200 -0.201 0.000 2.015 751 E HA -0.170 2.184 4.350 -3.327 0.000 0.191 751 E C 1.885 178.388 176.600 -0.162 0.000 0.991 751 E CA 1.113 57.419 56.400 -0.157 0.000 0.802 751 E CB -0.255 29.369 29.700 -0.126 0.000 0.759 751 E HN 0.484 nan 8.360 nan 0.000 0.447 752 N N 0.900 119.502 118.700 -0.162 0.000 2.137 752 N HA -0.178 2.566 4.740 -3.327 0.000 0.190 752 N C 1.818 177.209 175.510 -0.199 0.000 1.017 752 N CA 0.835 53.798 53.050 -0.145 0.000 0.859 752 N CB -0.234 38.196 38.487 -0.096 0.000 1.002 752 N HN 0.125 nan 8.380 nan 0.000 0.428 753 I N 0.357 120.721 120.570 -0.343 0.000 2.233 753 I HA -0.123 2.050 4.170 -3.327 0.000 0.243 753 I C 1.929 177.910 176.117 -0.226 0.000 1.093 753 I CA 0.684 61.772 61.300 -0.353 0.000 1.380 753 I CB -0.247 37.352 38.000 -0.667 0.000 1.067 753 I HN -0.165 nan 8.210 nan 0.000 0.413 754 V N 0.488 120.279 119.914 -0.205 0.000 2.392 754 V HA -0.316 1.808 4.120 -3.327 0.000 0.249 754 V C 2.485 178.514 176.094 -0.108 0.000 1.059 754 V CA 2.115 64.337 62.300 -0.131 0.000 1.051 754 V CB -0.785 30.976 31.823 -0.104 0.000 0.658 754 V HN 0.519 nan 8.190 nan 0.000 0.455 755 Q N 0.625 120.358 119.800 -0.111 0.000 2.079 755 Q HA -0.226 2.118 4.340 -3.327 0.000 0.200 755 Q C 2.170 178.110 176.000 -0.099 0.000 0.974 755 Q CA 2.322 58.071 55.803 -0.090 0.000 0.840 755 Q CB -0.362 28.325 28.738 -0.084 0.000 0.898 755 Q HN 0.760 nan 8.270 nan 0.000 0.430 756 E N -0.737 119.389 120.200 -0.122 0.000 2.077 756 E HA -0.175 2.179 4.350 -3.327 0.000 0.193 756 E C 1.762 178.257 176.600 -0.176 0.000 0.989 756 E CA 1.204 57.517 56.400 -0.146 0.000 0.800 756 E CB -0.351 29.258 29.700 -0.153 0.000 0.746 756 E HN 0.406 nan 8.360 nan 0.000 0.452 757 A N 1.170 123.896 122.820 -0.157 0.000 1.908 757 A HA -0.235 2.089 4.320 -3.327 0.000 0.218 757 A C 2.159 179.683 177.584 -0.099 0.000 1.181 757 A CA 1.904 53.857 52.037 -0.140 0.000 0.627 757 A CB -0.570 18.368 19.000 -0.104 0.000 0.818 757 A HN 0.255 nan 8.150 nan 0.000 0.445 758 K N -0.622 119.729 120.400 -0.082 0.000 2.057 758 K HA -0.211 2.113 4.320 -3.327 0.000 0.207 758 K C 2.396 178.967 176.600 -0.049 0.000 1.049 758 K CA 1.787 58.042 56.287 -0.054 0.000 0.931 758 K CB -0.169 32.303 32.500 -0.048 0.000 0.714 758 K HN 0.663 nan 8.250 nan 0.000 0.440 759 Q N 0.522 120.280 119.800 -0.070 0.000 2.008 759 Q HA -0.148 2.196 4.340 -3.327 0.000 0.196 759 Q C 1.728 177.688 176.000 -0.066 0.000 0.973 759 Q CA 1.444 57.210 55.803 -0.061 0.000 0.826 759 Q CB 0.061 28.758 28.738 -0.069 0.000 0.894 759 Q HN 0.191 nan 8.270 nan 0.000 0.439 760 K N -0.993 119.322 120.400 -0.142 0.000 2.155 760 K HA -0.034 2.290 4.320 -3.327 0.000 0.203 760 K C 1.180 177.746 176.600 -0.056 0.000 1.052 760 K CA 0.833 56.997 56.287 -0.205 0.000 0.948 760 K CB 0.108 32.254 32.500 -0.590 0.000 0.728 760 K HN 0.568 nan 8.250 nan 0.000 0.448 761 G N 0.491 109.270 108.800 -0.035 0.000 2.213 761 G HA2 -0.266 1.697 3.960 -3.327 0.000 0.236 761 G HA3 -0.266 1.697 3.960 -3.327 0.000 0.236 761 G C -0.143 174.898 174.900 0.236 0.000 0.991 761 G CA 0.531 45.716 45.100 0.142 0.000 0.629 761 G HN 0.399 nan 8.290 nan 0.000 0.517 762 Y N -1.236 119.058 120.300 -0.009 0.000 2.597 762 Y HA 0.748 3.302 4.550 -3.327 0.000 0.340 762 Y C -0.243 175.581 175.900 -0.126 0.000 1.097 762 Y CA -1.341 56.672 58.100 -0.145 0.000 1.037 762 Y CB 1.185 39.382 38.460 -0.438 0.000 1.305 762 Y HN 0.892 nan 8.280 nan 0.000 0.463 763 V N -0.313 119.596 119.914 -0.009 0.000 2.769 763 V HA 0.969 3.093 4.120 -3.327 0.000 0.312 763 V C -0.340 175.809 176.094 0.092 0.000 1.058 763 V CA -0.242 62.042 62.300 -0.027 0.000 0.952 763 V CB 1.238 33.044 31.823 -0.029 0.000 1.019 763 V HN 1.165 nan 8.190 nan 0.000 0.445 764 T N 0.130 114.741 114.554 0.095 0.000 2.924 764 T HA 0.778 3.131 4.350 -3.327 0.000 0.291 764 T C 0.049 174.805 174.700 0.093 0.000 1.045 764 T CA -0.067 62.109 62.100 0.126 0.000 1.015 764 T CB 1.605 70.595 68.868 0.203 0.000 1.103 764 T HN 1.313 nan 8.240 nan 0.000 0.496 765 T N -0.648 113.952 114.554 0.077 0.000 2.923 765 T HA 0.482 2.836 4.350 -3.327 0.000 0.281 765 T C 1.271 175.981 174.700 0.016 0.000 0.995 765 T CA -0.947 61.178 62.100 0.042 0.000 0.985 765 T CB 0.988 69.863 68.868 0.011 0.000 1.114 765 T HN 0.437 nan 8.240 nan 0.000 0.548 766 L N 0.245 121.454 121.223 -0.024 0.000 2.051 766 L HA 0.035 2.378 4.340 -3.327 0.000 0.214 766 L C 2.069 178.799 176.870 -0.233 0.000 1.076 766 L CA 1.711 56.503 54.840 -0.079 0.000 0.758 766 L CB -0.483 41.530 42.059 -0.076 0.000 0.890 766 L HN 0.676 nan 8.230 nan 0.000 0.433 767 L N -1.311 119.792 121.223 -0.201 0.000 2.629 767 L HA 0.085 2.428 4.340 -3.327 0.000 0.230 767 L C 0.166 176.906 176.870 -0.218 0.000 1.151 767 L CA -0.065 54.619 54.840 -0.261 0.000 0.924 767 L CB -0.377 41.611 42.059 -0.118 0.000 1.137 767 L HN 0.447 nan 8.230 nan 0.000 0.457 768 H N -1.456 117.616 119.070 0.004 0.000 3.071 768 H HA -0.127 2.433 4.556 -3.327 0.000 0.243 768 H C 0.832 176.143 175.328 -0.029 0.000 1.221 768 H CA 0.272 56.319 56.048 -0.003 0.000 1.109 768 H CB -1.333 28.427 29.762 -0.002 0.000 1.236 768 H HN 0.345 nan 8.280 nan 0.000 0.332 769 R N 0.766 121.304 120.500 0.063 0.000 2.738 769 R HA 0.417 2.761 4.340 -3.327 0.000 0.268 769 R C 0.595 176.877 176.300 -0.030 0.000 1.062 769 R CA 0.025 56.122 56.100 -0.004 0.000 1.158 769 R CB 0.798 31.091 30.300 -0.012 0.000 1.046 769 R HN 0.249 nan 8.270 nan 0.000 0.493 770 R N 1.448 121.876 120.500 -0.120 0.000 2.725 770 R HA 0.376 2.719 4.340 -3.327 0.000 0.277 770 R C -1.372 174.782 176.300 -0.244 0.000 0.987 770 R CA -0.778 55.200 56.100 -0.203 0.000 0.901 770 R CB 1.542 31.613 30.300 -0.382 0.000 1.207 770 R HN 0.562 nan 8.270 nan 0.000 0.463 771 R N 3.460 123.822 120.500 -0.230 0.000 2.502 771 R HA 0.245 2.589 4.340 -3.327 0.000 0.298 771 R C -1.548 174.638 176.300 -0.190 0.000 1.018 771 R CA -0.561 55.432 56.100 -0.178 0.000 0.899 771 R CB 0.923 31.175 30.300 -0.080 0.000 1.181 771 R HN 0.535 nan 8.270 nan 0.000 0.444 772 Y N 4.220 124.532 120.300 0.020 0.000 2.359 772 Y HA 0.229 2.783 4.550 -3.326 0.000 0.330 772 Y C 0.449 176.352 175.900 0.004 0.000 1.143 772 Y CA -0.212 57.916 58.100 0.046 0.000 1.318 772 Y CB 0.970 39.438 38.460 0.014 0.000 1.234 772 Y HN 0.361 nan 8.280 nan 0.000 0.522 773 L N 6.598 127.905 121.223 0.141 0.000 2.502 773 L HA 0.259 2.603 4.340 -3.327 0.000 0.247 773 L C -1.698 175.197 176.870 0.042 0.000 1.180 773 L CA -1.461 53.402 54.840 0.038 0.000 0.956 773 L CB 1.123 43.172 42.059 -0.017 0.000 1.282 773 L HN 0.515 nan 8.230 nan 0.000 0.470 774 P HA -0.132 nan 4.420 nan 0.000 0.219 774 P C 0.521 177.825 177.300 0.006 0.000 1.150 774 P CA 1.018 64.136 63.100 0.029 0.000 0.814 774 P CB 0.418 32.130 31.700 0.019 0.000 0.787 775 D N -0.500 119.892 120.400 -0.013 0.000 2.378 775 D HA -0.055 2.589 4.640 -3.327 0.000 0.227 775 D C 1.768 178.053 176.300 -0.024 0.000 1.012 775 D CA 0.222 54.210 54.000 -0.020 0.000 0.905 775 D CB -0.480 40.296 40.800 -0.040 0.000 0.895 775 D HN 0.157 nan 8.370 nan 0.000 0.532 776 I N 1.080 121.635 120.570 -0.025 0.000 2.286 776 I HA -0.219 1.955 4.170 -3.327 0.000 0.248 776 I C 2.062 178.168 176.117 -0.017 0.000 1.115 776 I CA 1.343 62.625 61.300 -0.030 0.000 1.392 776 I CB -0.177 37.804 38.000 -0.032 0.000 1.065 776 I HN -0.020 nan 8.210 nan 0.000 0.418 777 T N -2.684 111.867 114.554 -0.006 0.000 3.144 777 T HA 0.154 2.508 4.350 -3.327 0.000 0.249 777 T C 1.058 175.765 174.700 0.011 0.000 1.089 777 T CA 0.243 62.345 62.100 0.003 0.000 0.989 777 T CB -0.611 68.260 68.868 0.005 0.000 0.992 777 T HN 0.256 nan 8.240 nan 0.000 0.540 778 S N 0.547 116.253 115.700 0.010 0.000 2.569 778 S HA 0.178 2.652 4.470 -3.327 0.000 0.274 778 S C 1.278 175.899 174.600 0.036 0.000 1.353 778 S CA -0.422 57.791 58.200 0.021 0.000 1.023 778 S CB 0.712 63.924 63.200 0.020 0.000 0.876 778 S HN 0.400 nan 8.310 nan 0.000 0.540 779 R N 1.697 122.224 120.500 0.046 0.000 2.189 779 R HA 0.262 2.606 4.340 -3.327 0.000 0.203 779 R C 0.213 176.568 176.300 0.092 0.000 1.012 779 R CA 0.191 56.329 56.100 0.063 0.000 1.015 779 R CB -0.356 29.974 30.300 0.051 0.000 0.938 779 R HN 0.657 nan 8.270 nan 0.000 0.472 780 N N 0.850 119.600 118.700 0.083 0.000 2.440 780 N HA -0.118 2.626 4.740 -3.327 0.000 0.265 780 N C 0.520 176.116 175.510 0.142 0.000 1.239 780 N CA 0.103 53.219 53.050 0.110 0.000 0.909 780 N CB 0.189 38.725 38.487 0.082 0.000 1.066 780 N HN -0.025 nan 8.380 nan 0.000 0.474 781 F N 4.823 124.794 119.950 0.035 0.000 2.069 781 F HA -0.200 2.330 4.527 -3.329 0.000 0.298 781 F C 1.769 177.602 175.800 0.054 0.000 1.113 781 F CA 1.588 59.612 58.000 0.039 0.000 1.214 781 F CB -0.192 38.826 39.000 0.031 0.000 0.978 781 F HN 0.568 nan 8.300 nan 0.000 0.474 782 N N 0.455 119.216 118.700 0.103 0.000 2.061 782 N HA -0.190 2.553 4.740 -3.327 0.000 0.193 782 N C 2.027 177.533 175.510 -0.005 0.000 1.030 782 N CA 2.018 55.073 53.050 0.008 0.000 0.856 782 N CB -0.801 37.736 38.487 0.083 0.000 1.023 782 N HN 0.263 nan 8.380 nan 0.000 0.424 783 V N 1.330 121.269 119.914 0.041 0.000 2.453 783 V HA -0.144 1.980 4.120 -3.327 0.000 0.247 783 V C 2.557 178.661 176.094 0.017 0.000 1.048 783 V CA 1.271 63.614 62.300 0.072 0.000 1.049 783 V CB -0.444 31.416 31.823 0.063 0.000 0.672 783 V HN 0.271 nan 8.190 nan 0.000 0.457 784 R N 0.280 120.752 120.500 -0.046 0.000 2.070 784 R HA -0.162 2.182 4.340 -3.327 0.000 0.232 784 R C 2.569 178.792 176.300 -0.128 0.000 1.138 784 R CA 2.055 58.106 56.100 -0.083 0.000 0.936 784 R CB -0.485 29.765 30.300 -0.084 0.000 0.839 784 R HN 0.434 nan 8.270 nan 0.000 0.429 785 S N 0.341 115.869 115.700 -0.287 0.000 2.374 785 S HA -0.170 2.304 4.470 -3.327 0.000 0.227 785 S C 1.478 176.071 174.600 -0.011 0.000 1.037 785 S CA 1.328 59.367 58.200 -0.268 0.000 1.024 785 S CB -0.468 62.413 63.200 -0.531 0.000 0.861 785 S HN 0.372 nan 8.310 nan 0.000 0.456 786 F N 2.595 122.456 119.950 -0.148 0.000 2.134 786 F HA -0.035 2.494 4.527 -3.329 0.000 0.299 786 F C 2.362 178.129 175.800 -0.054 0.000 1.097 786 F CA 0.800 58.753 58.000 -0.079 0.000 1.264 786 F CB -1.241 37.723 39.000 -0.059 0.000 1.001 786 F HN 0.182 nan 8.300 nan 0.000 0.479 787 A N -0.012 122.764 122.820 -0.073 0.000 1.972 787 A HA -0.190 2.133 4.320 -3.327 0.000 0.219 787 A C 2.144 179.678 177.584 -0.084 0.000 1.169 787 A CA 1.707 53.645 52.037 -0.164 0.000 0.635 787 A CB -0.791 18.139 19.000 -0.116 0.000 0.810 787 A HN 0.547 nan 8.150 nan 0.000 0.446 788 E N -0.506 119.671 120.200 -0.039 0.000 2.106 788 E HA -0.143 2.211 4.350 -3.327 0.000 0.192 788 E C 2.299 178.905 176.600 0.011 0.000 0.984 788 E CA 0.820 57.203 56.400 -0.028 0.000 0.806 788 E CB -0.152 29.528 29.700 -0.034 0.000 0.750 788 E HN 0.516 nan 8.360 nan 0.000 0.458 789 R N 0.288 120.828 120.500 0.066 0.000 2.096 789 R HA -0.082 2.262 4.340 -3.327 0.000 0.235 789 R C 2.382 178.738 176.300 0.092 0.000 1.127 789 R CA 1.257 57.428 56.100 0.120 0.000 0.968 789 R CB -0.267 30.160 30.300 0.212 0.000 0.861 789 R HN 0.260 nan 8.270 nan 0.000 0.440 790 M N 0.225 119.838 119.600 0.022 0.000 2.086 790 M HA -0.106 2.377 4.480 -3.327 0.000 0.261 790 M C 2.625 178.920 176.300 -0.009 0.000 1.067 790 M CA 1.772 57.053 55.300 -0.031 0.000 1.116 790 M CB -0.521 31.983 32.600 -0.161 0.000 1.348 790 M HN 0.185 nan 8.290 nan 0.000 0.407 791 A N 0.439 123.242 122.820 -0.029 0.000 1.948 791 A HA -0.194 2.129 4.320 -3.327 0.000 0.220 791 A C 2.154 179.737 177.584 -0.002 0.000 1.177 791 A CA 1.869 53.884 52.037 -0.036 0.000 0.636 791 A CB -0.652 18.306 19.000 -0.070 0.000 0.815 791 A HN 0.490 nan 8.150 nan 0.000 0.449 792 M N -1.065 118.553 119.600 0.030 0.000 2.123 792 M HA -0.094 2.390 4.480 -3.327 0.000 0.263 792 M C 2.287 178.721 176.300 0.224 0.000 1.069 792 M CA 1.628 56.995 55.300 0.112 0.000 1.133 792 M CB -0.411 32.265 32.600 0.127 0.000 1.356 792 M HN 0.658 nan 8.290 nan 0.000 0.415 793 N N -0.365 118.431 118.700 0.160 0.000 2.207 793 N HA -0.115 2.629 4.740 -3.327 0.000 0.182 793 N C 1.350 176.928 175.510 0.114 0.000 1.020 793 N CA 1.637 54.782 53.050 0.159 0.000 0.858 793 N CB 0.094 38.673 38.487 0.153 0.000 0.991 793 N HN 0.213 nan 8.380 nan 0.000 0.427 794 T N 1.483 116.084 114.554 0.078 0.000 2.788 794 T HA -0.018 2.335 4.350 -3.327 0.000 0.268 794 T C -1.066 173.667 174.700 0.054 0.000 1.044 794 T CA 1.009 63.136 62.100 0.046 0.000 1.139 794 T CB -0.918 67.958 68.868 0.013 0.000 0.867 794 T HN 0.402 nan 8.240 nan 0.000 0.454 795 P HA 0.077 nan 4.420 nan 0.000 0.219 795 P C 1.274 178.606 177.300 0.052 0.000 1.150 795 P CA 0.765 63.917 63.100 0.087 0.000 0.814 795 P CB -0.115 31.685 31.700 0.165 0.000 0.787 796 I N -0.836 119.767 120.570 0.054 0.000 2.130 796 I HA -0.219 1.954 4.170 -3.327 0.000 0.234 796 I C 2.719 178.833 176.117 -0.004 0.000 1.067 796 I CA 1.310 62.612 61.300 0.003 0.000 1.339 796 I CB -0.904 37.101 38.000 0.009 0.000 1.073 796 I HN -0.097 nan 8.210 nan 0.000 0.405 797 Q N 0.903 120.715 119.800 0.020 0.000 2.133 797 Q HA -0.227 2.117 4.340 -3.327 0.000 0.208 797 Q C 2.111 178.106 176.000 -0.009 0.000 0.991 797 Q CA 2.181 57.986 55.803 0.004 0.000 0.867 797 Q CB -0.295 28.451 28.738 0.014 0.000 0.911 797 Q HN 0.637 nan 8.270 nan 0.000 0.417 798 G N -1.090 107.711 108.800 0.002 0.000 2.453 798 G HA2 -0.117 1.846 3.960 -3.327 0.000 0.215 798 G HA3 -0.117 1.846 3.960 -3.327 0.000 0.215 798 G C 1.384 176.275 174.900 -0.015 0.000 1.147 798 G CA 0.585 45.686 45.100 0.001 0.000 0.802 798 G HN 0.288 nan 8.290 nan 0.000 0.535 799 S N 0.958 116.642 115.700 -0.026 0.000 2.423 799 S HA 0.059 2.533 4.470 -3.327 0.000 0.231 799 S C 2.694 177.239 174.600 -0.092 0.000 1.014 799 S CA 0.952 59.119 58.200 -0.054 0.000 0.965 799 S CB -0.135 63.035 63.200 -0.050 0.000 0.785 799 S HN 0.543 nan 8.310 nan 0.000 0.495 800 A N 1.638 124.401 122.820 -0.095 0.000 1.898 800 A HA 0.191 2.514 4.320 -3.327 0.000 0.216 800 A C 2.355 179.877 177.584 -0.103 0.000 1.181 800 A CA 1.503 53.457 52.037 -0.139 0.000 0.620 800 A CB -1.048 17.878 19.000 -0.124 0.000 0.819 800 A HN 0.493 nan 8.150 nan 0.000 0.442 801 A N 0.413 123.207 122.820 -0.042 0.000 1.883 801 A HA -0.220 2.104 4.320 -3.327 0.000 0.217 801 A C 1.760 179.333 177.584 -0.018 0.000 1.186 801 A CA 1.951 53.986 52.037 -0.004 0.000 0.624 801 A CB -0.702 18.315 19.000 0.029 0.000 0.822 801 A HN 0.467 nan 8.150 nan 0.000 0.444 802 D N 0.032 120.413 120.400 -0.031 0.000 2.133 802 D HA -0.160 2.484 4.640 -3.327 0.000 0.195 802 D C 1.832 178.099 176.300 -0.055 0.000 0.997 802 D CA 1.406 55.384 54.000 -0.037 0.000 0.840 802 D CB -0.384 40.385 40.800 -0.052 0.000 0.947 802 D HN 0.547 nan 8.370 nan 0.000 0.452 803 I N 0.489 121.003 120.570 -0.093 0.000 2.252 803 I HA -0.166 2.008 4.170 -3.327 0.000 0.245 803 I C 2.507 178.593 176.117 -0.052 0.000 1.102 803 I CA 0.497 61.730 61.300 -0.112 0.000 1.385 803 I CB 0.018 37.885 38.000 -0.222 0.000 1.064 803 I HN -0.051 nan 8.210 nan 0.000 0.414 804 I N 0.683 121.227 120.570 -0.044 0.000 2.439 804 I HA -0.263 1.911 4.170 -3.327 0.000 0.251 804 I C 2.418 178.560 176.117 0.041 0.000 1.139 804 I CA 1.408 62.754 61.300 0.077 0.000 1.438 804 I CB -0.083 37.986 38.000 0.114 0.000 1.085 804 I HN 0.117 nan 8.210 nan 0.000 0.427 805 K N 0.704 121.105 120.400 0.003 0.000 2.032 805 K HA -0.281 2.043 4.320 -3.327 0.000 0.209 805 K C 2.158 178.751 176.600 -0.011 0.000 1.048 805 K CA 1.909 58.188 56.287 -0.012 0.000 0.927 805 K CB -0.173 32.319 32.500 -0.014 0.000 0.712 805 K HN 0.184 nan 8.250 nan 0.000 0.441 806 K N 0.918 121.312 120.400 -0.011 0.000 2.063 806 K HA -0.157 2.167 4.320 -3.327 0.000 0.208 806 K C 2.004 178.607 176.600 0.004 0.000 1.048 806 K CA 1.381 57.662 56.287 -0.010 0.000 0.928 806 K CB -0.189 32.299 32.500 -0.020 0.000 0.713 806 K HN 0.154 nan 8.250 nan 0.000 0.442 807 A N 1.032 123.872 122.820 0.033 0.000 1.873 807 A HA -0.237 2.086 4.320 -3.327 0.000 0.218 807 A C 2.212 179.805 177.584 0.016 0.000 1.193 807 A CA 2.197 54.263 52.037 0.049 0.000 0.629 807 A CB -0.647 18.427 19.000 0.123 0.000 0.826 807 A HN 0.427 nan 8.150 nan 0.000 0.447 808 M N -1.034 118.571 119.600 0.008 0.000 2.149 808 M HA -0.142 2.342 4.480 -3.327 0.000 0.261 808 M C 2.077 178.363 176.300 -0.023 0.000 1.064 808 M CA 1.618 56.909 55.300 -0.016 0.000 1.102 808 M CB -0.499 32.078 32.600 -0.038 0.000 1.369 808 M HN 0.414 nan 8.290 nan 0.000 0.408 809 I N -0.104 120.454 120.570 -0.021 0.000 2.439 809 I HA -0.256 1.917 4.170 -3.327 0.000 0.251 809 I C 1.629 177.733 176.117 -0.022 0.000 1.139 809 I CA 0.957 62.243 61.300 -0.023 0.000 1.438 809 I CB -0.348 37.639 38.000 -0.022 0.000 1.085 809 I HN 0.218 nan 8.210 nan 0.000 0.427 810 D N 0.317 120.707 120.400 -0.018 0.000 2.162 810 D HA -0.112 2.532 4.640 -3.327 0.000 0.203 810 D C 1.985 178.269 176.300 -0.027 0.000 0.967 810 D CA 0.794 54.782 54.000 -0.020 0.000 0.840 810 D CB -0.145 40.646 40.800 -0.015 0.000 0.972 810 D HN 0.117 nan 8.370 nan 0.000 0.482 811 L N 1.191 122.398 121.223 -0.027 0.000 2.046 811 L HA -0.124 2.220 4.340 -3.327 0.000 0.208 811 L C 1.679 178.525 176.870 -0.040 0.000 1.077 811 L CA 1.652 56.470 54.840 -0.036 0.000 0.747 811 L CB -0.934 41.106 42.059 -0.031 0.000 0.896 811 L HN -0.101 nan 8.230 nan 0.000 0.432 812 N N -0.617 118.064 118.700 -0.033 0.000 2.120 812 N HA -0.125 2.619 4.740 -3.327 0.000 0.188 812 N C 1.804 177.295 175.510 -0.033 0.000 1.024 812 N CA 1.431 54.463 53.050 -0.031 0.000 0.852 812 N CB -0.192 38.280 38.487 -0.026 0.000 1.003 812 N HN 0.475 nan 8.380 nan 0.000 0.424 813 A N 0.555 123.355 122.820 -0.032 0.000 1.902 813 A HA -0.102 2.221 4.320 -3.327 0.000 0.217 813 A C 2.144 179.705 177.584 -0.038 0.000 1.181 813 A CA 1.115 53.132 52.037 -0.032 0.000 0.623 813 A CB -0.291 18.691 19.000 -0.029 0.000 0.818 813 A HN 0.162 nan 8.150 nan 0.000 0.443 814 R N -0.433 120.040 120.500 -0.044 0.000 2.075 814 R HA 0.102 2.446 4.340 -3.327 0.000 0.226 814 R C 2.072 178.334 176.300 -0.064 0.000 1.114 814 R CA 0.873 56.941 56.100 -0.054 0.000 0.972 814 R CB -1.064 29.200 30.300 -0.060 0.000 0.869 814 R HN 0.568 nan 8.270 nan 0.000 0.437 815 L N 0.817 122.000 121.223 -0.066 0.000 2.127 815 L HA -0.187 2.157 4.340 -3.327 0.000 0.211 815 L C 2.612 179.445 176.870 -0.061 0.000 1.089 815 L CA 1.442 56.238 54.840 -0.074 0.000 0.757 815 L CB -0.319 41.701 42.059 -0.065 0.000 0.899 815 L HN 0.188 nan 8.230 nan 0.000 0.434 816 K N 0.057 120.428 120.400 -0.048 0.000 2.098 816 K HA -0.119 2.205 4.320 -3.327 0.000 0.203 816 K C 1.949 178.525 176.600 -0.041 0.000 1.051 816 K CA 0.830 57.093 56.287 -0.039 0.000 0.957 816 K CB 0.147 32.627 32.500 -0.032 0.000 0.738 816 K HN 0.255 nan 8.250 nan 0.000 0.447 817 E N 0.424 120.598 120.200 -0.043 0.000 2.085 817 E HA -0.174 2.180 4.350 -3.327 0.000 0.194 817 E C 1.536 178.106 176.600 -0.049 0.000 0.994 817 E CA 1.037 57.411 56.400 -0.042 0.000 0.801 817 E CB 0.154 29.829 29.700 -0.042 0.000 0.743 817 E HN 0.224 nan 8.360 nan 0.000 0.453 818 E N 0.087 120.251 120.200 -0.060 0.000 2.482 818 E HA -0.036 2.317 4.350 -3.327 0.000 0.196 818 E C 0.204 176.761 176.600 -0.071 0.000 1.047 818 E CA 0.126 56.483 56.400 -0.071 0.000 0.869 818 E CB 0.218 29.863 29.700 -0.091 0.000 0.836 818 E HN 0.143 nan 8.360 nan 0.000 0.520 819 R N -0.561 119.903 120.500 -0.061 0.000 3.875 819 R HA -0.201 2.143 4.340 -3.327 0.000 0.321 819 R C -0.292 175.967 176.300 -0.070 0.000 1.196 819 R CA 0.317 56.384 56.100 -0.055 0.000 0.868 819 R CB -2.701 27.570 30.300 -0.048 0.000 1.333 819 R HN 0.084 nan 8.270 nan 0.000 0.522 820 L N 1.208 122.377 121.223 -0.090 0.000 2.417 820 L HA 0.094 2.438 4.340 -3.327 0.000 0.268 820 L C 2.091 178.899 176.870 -0.103 0.000 1.158 820 L CA 0.607 55.372 54.840 -0.124 0.000 0.819 820 L CB 0.524 42.486 42.059 -0.161 0.000 1.112 820 L HN 0.086 nan 8.230 nan 0.000 0.458 821 Q N 1.903 121.624 119.800 -0.132 0.000 2.398 821 Q HA 0.220 2.564 4.340 -3.327 0.000 0.204 821 Q C 0.502 176.463 176.000 -0.065 0.000 0.932 821 Q CA 0.226 55.990 55.803 -0.064 0.000 0.916 821 Q CB 0.070 28.778 28.738 -0.051 0.000 1.024 821 Q HN 0.763 nan 8.270 nan 0.000 0.504 822 A N 2.951 125.654 122.820 -0.195 0.000 2.598 822 A HA -0.003 2.321 4.320 -3.327 0.000 0.239 822 A C 0.213 177.789 177.584 -0.014 0.000 1.032 822 A CA 0.428 52.369 52.037 -0.161 0.000 0.760 822 A CB -0.107 18.759 19.000 -0.224 0.000 0.946 822 A HN 0.386 nan 8.150 nan 0.000 0.512 823 R N 2.332 122.882 120.500 0.083 0.000 2.621 823 R HA 0.646 2.990 4.340 -3.327 0.000 0.292 823 R C -1.183 175.156 176.300 0.066 0.000 0.969 823 R CA -1.041 55.110 56.100 0.085 0.000 0.887 823 R CB 0.972 31.350 30.300 0.130 0.000 1.180 823 R HN 0.443 nan 8.270 nan 0.000 0.450 824 L N 4.015 125.260 121.223 0.037 0.000 2.462 824 L HA 0.124 2.467 4.340 -3.327 0.000 0.272 824 L C 0.148 177.036 176.870 0.031 0.000 1.166 824 L CA 0.127 54.980 54.840 0.023 0.000 0.880 824 L CB 0.496 42.556 42.059 0.002 0.000 1.142 824 L HN 0.909 nan 8.230 nan 0.000 0.473 825 L N 4.619 125.850 121.223 0.013 0.000 2.433 825 L HA 0.277 2.621 4.340 -3.327 0.000 0.200 825 L C 0.076 176.967 176.870 0.035 0.000 1.059 825 L CA 0.118 54.964 54.840 0.009 0.000 0.835 825 L CB 0.102 42.133 42.059 -0.048 0.000 1.076 825 L HN 0.395 nan 8.230 nan 0.000 0.481 826 L N -0.238 120.970 121.223 -0.025 0.000 2.393 826 L HA 0.460 2.804 4.340 -3.327 0.000 0.260 826 L C -1.000 175.842 176.870 -0.046 0.000 1.002 826 L CA -0.489 54.366 54.840 0.025 0.000 0.818 826 L CB 2.491 44.485 42.059 -0.108 0.000 1.369 826 L HN 0.002 nan 8.230 nan 0.000 0.412 827 Q N 1.793 121.553 119.800 -0.067 0.000 2.310 827 Q HA 0.397 2.741 4.340 -3.327 0.000 0.270 827 Q C -1.770 174.181 176.000 -0.082 0.000 1.025 827 Q CA -0.392 55.339 55.803 -0.119 0.000 0.772 827 Q CB 2.500 31.082 28.738 -0.259 0.000 1.253 827 Q HN 0.485 nan 8.270 nan 0.000 0.450 828 V N 6.770 126.646 119.914 -0.063 0.000 2.294 828 V HA 0.208 2.331 4.120 -3.327 0.000 0.258 828 V C 0.306 176.329 176.094 -0.119 0.000 1.080 828 V CA -0.237 61.972 62.300 -0.152 0.000 1.128 828 V CB -0.327 31.521 31.823 0.043 0.000 1.323 828 V HN 0.910 nan 8.190 nan 0.000 0.498 829 H N 1.912 121.034 119.070 0.088 0.000 5.017 829 H HA -0.206 2.354 4.556 -3.327 0.000 0.071 829 H C 1.058 176.430 175.328 0.074 0.000 0.562 829 H CA 2.176 58.265 56.048 0.068 0.000 1.051 829 H CB -0.828 28.972 29.762 0.063 0.000 0.480 829 H HN 0.858 nan 8.280 nan 0.000 0.749 830 D N 0.715 121.246 120.400 0.217 0.000 2.692 830 D HA 0.345 2.988 4.640 -3.327 0.000 0.290 830 D C -0.003 176.454 176.300 0.262 0.000 1.455 830 D CA 0.075 54.226 54.000 0.252 0.000 0.796 830 D CB 0.685 41.612 40.800 0.212 0.000 1.131 830 D HN 0.549 nan 8.370 nan 0.000 0.467 831 E N 0.557 120.852 120.200 0.158 0.000 2.321 831 E HA 0.454 2.808 4.350 -3.327 0.000 0.278 831 E C -1.433 175.198 176.600 0.051 0.000 0.902 831 E CA -0.726 55.730 56.400 0.095 0.000 0.758 831 E CB 1.939 31.706 29.700 0.111 0.000 1.213 831 E HN 0.043 nan 8.360 nan 0.000 0.426 832 L N 5.017 126.254 121.223 0.024 0.000 2.305 832 L HA 0.520 2.864 4.340 -3.327 0.000 0.284 832 L C -0.721 176.163 176.870 0.023 0.000 1.013 832 L CA -0.945 53.902 54.840 0.012 0.000 0.819 832 L CB 1.279 43.346 42.059 0.013 0.000 1.227 832 L HN 0.496 nan 8.230 nan 0.000 0.417 833 I N 4.362 124.924 120.570 -0.013 0.000 2.354 833 I HA 0.447 2.621 4.170 -3.327 0.000 0.292 833 I C -0.344 175.772 176.117 -0.000 0.000 0.989 833 I CA 0.036 61.312 61.300 -0.039 0.000 1.188 833 I CB 1.602 39.460 38.000 -0.237 0.000 1.342 833 I HN 0.336 nan 8.210 nan 0.000 0.457 834 L N 5.768 127.051 121.223 0.101 0.000 2.309 834 L HA 0.670 3.013 4.340 -3.327 0.000 0.261 834 L C -0.427 176.528 176.870 0.142 0.000 1.021 834 L CA -0.639 54.267 54.840 0.110 0.000 0.823 834 L CB 1.794 43.923 42.059 0.117 0.000 1.366 834 L HN 0.635 nan 8.230 nan 0.000 0.423 835 E N 0.633 120.924 120.200 0.152 0.000 2.234 835 E HA 0.876 3.229 4.350 -3.327 0.000 0.266 835 E C -1.448 175.275 176.600 0.206 0.000 0.877 835 E CA -0.962 55.585 56.400 0.245 0.000 0.758 835 E CB 2.272 32.160 29.700 0.315 0.000 1.170 835 E HN 0.655 nan 8.360 nan 0.000 0.415 836 A N 3.439 126.239 122.820 -0.034 0.000 2.569 836 A HA 0.727 3.051 4.320 -3.327 0.000 0.290 836 A C -2.809 174.167 177.584 -1.015 0.000 1.136 836 A CA -1.999 49.652 52.037 -0.643 0.000 0.710 836 A CB 1.299 20.006 19.000 -0.490 0.000 1.303 836 A HN 0.545 nan 8.150 nan 0.000 0.413 837 P HA 0.070 nan 4.420 nan 0.000 0.266 837 P C 0.423 177.429 177.300 -0.491 0.000 1.195 837 P CA 0.056 62.473 63.100 -1.138 0.000 0.768 837 P CB 0.536 31.728 31.700 -0.848 0.000 0.838 838 K N 2.266 122.517 120.400 -0.248 0.000 2.160 838 K HA -0.253 2.071 4.320 -3.327 0.000 0.206 838 K C 1.055 177.557 176.600 -0.164 0.000 1.047 838 K CA 1.804 58.014 56.287 -0.128 0.000 0.930 838 K CB -0.474 32.016 32.500 -0.017 0.000 0.720 838 K HN 0.221 nan 8.250 nan 0.000 0.450 839 E N 1.430 121.522 120.200 -0.180 0.000 2.085 839 E HA -0.162 2.192 4.350 -3.327 0.000 0.194 839 E C 1.701 178.174 176.600 -0.211 0.000 0.994 839 E CA 1.649 57.950 56.400 -0.164 0.000 0.801 839 E CB -0.042 29.569 29.700 -0.148 0.000 0.743 839 E HN 0.500 nan 8.360 nan 0.000 0.453 840 E N -0.550 119.478 120.200 -0.287 0.000 2.427 840 E HA -0.056 2.297 4.350 -3.327 0.000 0.196 840 E C 1.530 177.902 176.600 -0.380 0.000 1.028 840 E CA 0.118 56.325 56.400 -0.323 0.000 0.864 840 E CB 0.104 29.577 29.700 -0.377 0.000 0.813 840 E HN 0.179 nan 8.360 nan 0.000 0.514 841 M N 0.429 119.794 119.600 -0.391 0.000 2.106 841 M HA -0.219 2.265 4.480 -3.327 0.000 0.259 841 M C 1.833 177.852 176.300 -0.469 0.000 1.068 841 M CA 1.665 56.652 55.300 -0.521 0.000 1.100 841 M CB -0.730 31.500 32.600 -0.616 0.000 1.351 841 M HN 0.147 nan 8.290 nan 0.000 0.404 842 E N -0.694 119.317 120.200 -0.314 0.000 2.077 842 E HA -0.164 2.190 4.350 -3.327 0.000 0.193 842 E C 2.231 178.685 176.600 -0.243 0.000 0.989 842 E CA 0.857 57.123 56.400 -0.224 0.000 0.800 842 E CB 0.018 29.637 29.700 -0.134 0.000 0.746 842 E HN 0.460 nan 8.360 nan 0.000 0.452 843 R N 0.281 120.625 120.500 -0.259 0.000 2.090 843 R HA -0.052 2.292 4.340 -3.327 0.000 0.228 843 R C 2.504 178.606 176.300 -0.329 0.000 1.110 843 R CA 0.684 56.636 56.100 -0.247 0.000 0.973 843 R CB -0.261 29.910 30.300 -0.217 0.000 0.869 843 R HN 0.210 nan 8.270 nan 0.000 0.440 844 L N 0.110 121.050 121.223 -0.470 0.000 2.042 844 L HA -0.257 2.086 4.340 -3.327 0.000 0.210 844 L C 2.618 179.086 176.870 -0.669 0.000 1.076 844 L CA 1.086 55.520 54.840 -0.676 0.000 0.749 844 L CB -0.598 40.807 42.059 -1.090 0.000 0.893 844 L HN 0.321 nan 8.230 nan 0.000 0.432 845 C N -0.417 118.530 119.300 -0.588 0.000 2.403 845 C HA -0.192 2.272 4.460 -3.327 0.000 0.277 845 C C 2.901 177.584 174.990 -0.512 0.000 1.248 845 C CA 0.927 59.579 59.018 -0.611 0.000 1.762 845 C CB -1.093 26.407 27.740 -0.400 0.000 2.014 845 C HN 0.436 nan 8.230 nan 0.000 0.486 846 R N -0.836 119.480 120.500 -0.306 0.000 2.173 846 R HA 0.090 2.434 4.340 -3.327 0.000 0.208 846 R C 1.981 178.179 176.300 -0.170 0.000 1.035 846 R CA 0.460 56.446 56.100 -0.190 0.000 1.004 846 R CB -0.202 30.019 30.300 -0.131 0.000 0.917 846 R HN 0.394 nan 8.270 nan 0.000 0.462 847 L N 0.072 121.169 121.223 -0.209 0.000 2.102 847 L HA -0.020 2.324 4.340 -3.327 0.000 0.202 847 L C 1.905 178.691 176.870 -0.140 0.000 1.076 847 L CA 1.313 56.053 54.840 -0.167 0.000 0.761 847 L CB -0.092 41.853 42.059 -0.191 0.000 0.921 847 L HN -0.145 nan 8.230 nan 0.000 0.444 848 V N 0.605 120.424 119.914 -0.158 0.000 2.307 848 V HA -0.134 1.990 4.120 -3.327 0.000 0.245 848 V C -0.269 175.793 176.094 -0.054 0.000 1.045 848 V CA 2.043 64.299 62.300 -0.072 0.000 1.024 848 V CB -1.606 30.245 31.823 0.045 0.000 0.651 848 V HN 0.332 nan 8.190 nan 0.000 0.449 849 P HA -0.144 nan 4.420 nan 0.000 0.218 849 P C 1.572 178.843 177.300 -0.047 0.000 1.149 849 P CA 1.251 64.325 63.100 -0.044 0.000 0.817 849 P CB 0.135 31.846 31.700 0.018 0.000 0.785 850 E N -0.330 119.842 120.200 -0.048 0.000 2.047 850 E HA -0.123 2.230 4.350 -3.327 0.000 0.191 850 E C 1.869 178.451 176.600 -0.031 0.000 0.987 850 E CA 1.054 57.433 56.400 -0.035 0.000 0.799 850 E CB -1.194 28.480 29.700 -0.044 0.000 0.752 850 E HN -0.105 nan 8.360 nan 0.000 0.449 851 V N 0.486 120.375 119.914 -0.041 0.000 2.407 851 V HA -0.274 1.850 4.120 -3.327 0.000 0.248 851 V C 2.358 178.446 176.094 -0.010 0.000 1.055 851 V CA 1.984 64.266 62.300 -0.030 0.000 1.049 851 V CB -0.422 31.377 31.823 -0.040 0.000 0.662 851 V HN 0.358 nan 8.190 nan 0.000 0.455 852 M N -0.867 118.714 119.600 -0.032 0.000 2.098 852 M HA -0.153 2.331 4.480 -3.327 0.000 0.262 852 M C 2.215 178.561 176.300 0.078 0.000 1.072 852 M CA 1.805 57.090 55.300 -0.024 0.000 1.133 852 M CB -0.444 31.986 32.600 -0.282 0.000 1.344 852 M HN 0.271 nan 8.290 nan 0.000 0.414 853 E N -0.163 120.052 120.200 0.025 0.000 2.265 853 E HA -0.183 2.171 4.350 -3.327 0.000 0.196 853 E C 1.659 178.292 176.600 0.055 0.000 0.996 853 E CA 0.751 57.194 56.400 0.072 0.000 0.832 853 E CB 0.092 29.810 29.700 0.030 0.000 0.756 853 E HN 0.444 nan 8.360 nan 0.000 0.491 854 Q N -0.984 118.834 119.800 0.031 0.000 2.282 854 Q HA 0.187 2.531 4.340 -3.327 0.000 0.206 854 Q C 1.663 177.668 176.000 0.008 0.000 0.878 854 Q CA 0.230 56.040 55.803 0.011 0.000 0.944 854 Q CB 0.912 29.650 28.738 -0.001 0.000 1.100 854 Q HN 0.190 nan 8.270 nan 0.000 0.509 855 A N 1.005 123.843 122.820 0.030 0.000 1.908 855 A HA -0.051 2.273 4.320 -3.327 0.000 0.218 855 A C 1.382 178.956 177.584 -0.017 0.000 1.181 855 A CA 1.816 53.864 52.037 0.018 0.000 0.627 855 A CB -0.166 18.869 19.000 0.058 0.000 0.818 855 A HN 0.237 nan 8.150 nan 0.000 0.445 856 V N -5.382 114.510 119.914 -0.037 0.000 3.167 856 V HA 0.739 2.863 4.120 -3.327 0.000 0.310 856 V C -0.564 175.484 176.094 -0.076 0.000 1.207 856 V CA -0.444 61.814 62.300 -0.070 0.000 1.059 856 V CB 1.663 33.416 31.823 -0.117 0.000 1.079 856 V HN -0.019 nan 8.190 nan 0.000 0.446 857 T N 3.408 117.910 114.554 -0.087 0.000 2.893 857 T HA 0.617 2.971 4.350 -3.327 0.000 0.324 857 T C -0.162 174.461 174.700 -0.129 0.000 1.082 857 T CA -0.196 61.858 62.100 -0.076 0.000 0.983 857 T CB 0.098 68.948 68.868 -0.031 0.000 1.005 857 T HN 0.609 nan 8.240 nan 0.000 0.475 858 L N 2.015 123.120 121.223 -0.197 0.000 2.488 858 L HA 0.517 2.861 4.340 -3.327 0.000 0.249 858 L C 1.918 178.813 176.870 0.041 0.000 1.151 858 L CA -1.013 53.643 54.840 -0.307 0.000 0.806 858 L CB 0.652 42.450 42.059 -0.434 0.000 1.261 858 L HN 0.476 nan 8.230 nan 0.000 0.484 859 R N -0.044 120.636 120.500 0.300 0.000 2.236 859 R HA 0.049 2.393 4.340 -3.327 0.000 0.208 859 R C -0.044 176.322 176.300 0.111 0.000 1.036 859 R CA 0.376 56.590 56.100 0.189 0.000 1.001 859 R CB -0.077 30.332 30.300 0.182 0.000 0.896 859 R HN 0.545 nan 8.270 nan 0.000 0.464 860 V N -1.306 118.656 119.914 0.081 0.000 2.815 860 V HA 0.545 2.669 4.120 -3.327 0.000 0.314 860 V C -2.739 173.354 176.094 -0.002 0.000 1.064 860 V CA -3.240 59.094 62.300 0.056 0.000 0.952 860 V CB 1.992 33.848 31.823 0.055 0.000 1.020 860 V HN -0.174 nan 8.190 nan 0.000 0.439 861 P HA 0.374 nan 4.420 nan 0.000 0.271 861 P C -0.536 176.745 177.300 -0.031 0.000 1.216 861 P CA -0.130 62.972 63.100 0.004 0.000 0.776 861 P CB 0.486 32.207 31.700 0.035 0.000 0.881 862 L N 2.649 123.862 121.223 -0.016 0.000 2.375 862 L HA 0.414 2.758 4.340 -3.327 0.000 0.271 862 L C 0.676 177.581 176.870 0.058 0.000 1.107 862 L CA -0.295 54.554 54.840 0.016 0.000 0.806 862 L CB 0.654 42.761 42.059 0.079 0.000 1.146 862 L HN 0.283 nan 8.230 nan 0.000 0.447 863 K N 1.924 122.375 120.400 0.084 0.000 2.471 863 K HA 0.602 2.925 4.320 -3.327 0.000 0.252 863 K C -1.528 175.113 176.600 0.069 0.000 0.938 863 K CA -0.437 55.891 56.287 0.067 0.000 0.796 863 K CB 1.821 34.357 32.500 0.060 0.000 1.161 863 K HN 0.248 nan 8.250 nan 0.000 0.425 864 V N 3.287 123.204 119.914 0.004 0.000 2.815 864 V HA 0.549 2.673 4.120 -3.327 0.000 0.314 864 V C -0.659 175.416 176.094 -0.031 0.000 1.064 864 V CA -0.807 61.450 62.300 -0.071 0.000 0.952 864 V CB 2.061 33.788 31.823 -0.161 0.000 1.020 864 V HN 0.842 nan 8.190 nan 0.000 0.439 865 D N 1.043 121.398 120.400 -0.075 0.000 2.419 865 D HA 0.617 3.261 4.640 -3.327 0.000 0.234 865 D C -1.437 174.729 176.300 -0.222 0.000 1.014 865 D CA -0.012 53.877 54.000 -0.185 0.000 0.919 865 D CB 2.777 43.447 40.800 -0.217 0.000 1.366 865 D HN 0.601 nan 8.370 nan 0.000 0.490 866 Y N -2.034 117.986 120.300 -0.467 0.000 2.588 866 Y HA 0.641 3.195 4.550 -3.327 0.000 0.343 866 Y C -0.844 174.569 175.900 -0.811 0.000 1.065 866 Y CA -0.849 56.904 58.100 -0.578 0.000 1.038 866 Y CB 1.717 39.947 38.460 -0.383 0.000 1.297 866 Y HN 0.295 nan 8.280 nan 0.000 0.467 867 H N 0.358 119.346 119.070 -0.136 0.000 2.990 867 H HA 0.508 3.067 4.556 -3.328 0.000 0.336 867 H C -1.748 173.601 175.328 0.034 0.000 1.306 867 H CA -0.928 55.092 56.048 -0.047 0.000 1.118 867 H CB 2.724 32.414 29.762 -0.120 0.000 1.856 867 H HN 0.916 nan 8.280 nan 0.000 0.538 868 Y N -1.745 118.654 120.300 0.165 0.000 2.677 868 Y HA 0.658 3.212 4.550 -3.328 0.000 0.334 868 Y C -0.605 175.402 175.900 0.178 0.000 1.196 868 Y CA -0.612 57.602 58.100 0.190 0.000 1.059 868 Y CB 1.539 40.208 38.460 0.349 0.000 1.315 868 Y HN 1.031 nan 8.280 nan 0.000 0.455 869 G N 0.074 109.048 108.800 0.290 0.000 2.322 869 G HA2 0.331 2.295 3.960 -3.327 0.000 0.295 869 G HA3 0.331 2.295 3.960 -3.327 0.000 0.295 869 G C -0.515 174.522 174.900 0.229 0.000 1.369 869 G CA -0.332 44.872 45.100 0.173 0.000 0.821 869 G HN 0.714 nan 8.290 nan 0.000 0.536 870 S N -0.978 114.831 115.700 0.181 0.000 2.359 870 S HA 0.025 2.498 4.470 -3.327 0.000 0.224 870 S C 1.598 176.316 174.600 0.197 0.000 1.035 870 S CA 2.145 60.451 58.200 0.175 0.000 1.018 870 S CB -0.342 62.936 63.200 0.130 0.000 0.876 870 S HN 1.386 nan 8.310 nan 0.000 0.448 871 T N -3.142 111.544 114.554 0.221 0.000 2.940 871 T HA 0.315 2.669 4.350 -3.327 0.000 0.288 871 T C 0.316 175.239 174.700 0.372 0.000 1.045 871 T CA -0.781 61.487 62.100 0.279 0.000 1.018 871 T CB 0.956 69.978 68.868 0.256 0.000 1.151 871 T HN 0.269 nan 8.240 nan 0.000 0.529 872 W N 0.535 121.956 121.300 0.202 0.000 2.318 872 W HA -0.172 2.491 4.660 -3.328 0.000 0.313 872 W C 2.004 178.595 176.519 0.120 0.000 1.221 872 W CA 1.204 58.636 57.345 0.146 0.000 1.266 872 W CB -1.306 28.227 29.460 0.122 0.000 1.150 872 W HN 0.916 nan 8.180 nan 0.000 0.496 873 Y N 1.754 122.141 120.300 0.145 0.000 2.102 873 Y HA -0.337 2.218 4.550 -3.326 0.000 0.280 873 Y C 2.253 178.139 175.900 -0.024 0.000 1.178 873 Y CA 2.812 60.889 58.100 -0.038 0.000 1.146 873 Y CB -0.728 37.728 38.460 -0.008 0.000 0.968 873 Y HN -0.084 nan 8.280 nan 0.000 0.504 874 D N 0.090 120.645 120.400 0.258 0.000 2.312 874 D HA -0.021 2.623 4.640 -3.327 0.000 0.211 874 D C 0.991 177.296 176.300 0.008 0.000 0.964 874 D CA 1.031 55.108 54.000 0.128 0.000 0.877 874 D CB -0.313 40.592 40.800 0.175 0.000 0.924 874 D HN 0.373 nan 8.370 nan 0.000 0.515 875 A N 1.552 124.423 122.820 0.085 0.000 3.029 875 A HA 0.177 2.500 4.320 -3.327 0.000 0.251 875 A C 0.491 178.037 177.584 -0.063 0.000 1.749 875 A CA -0.003 52.093 52.037 0.099 0.000 1.386 875 A CB -0.794 18.354 19.000 0.246 0.000 1.043 875 A HN 0.196 nan 8.150 nan 0.000 0.638 876 K N 0.000 120.208 120.400 -0.319 0.000 2.780 876 K HA 0.000 2.324 4.320 -3.327 0.000 0.191 876 K CA 0.000 55.874 56.287 -0.688 0.000 0.838 876 K CB 0.000 32.188 32.500 -0.520 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543