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 1njx_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 LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST 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 EERLQAHLLL 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 0.000 177.585 177.584 0.002 0.000 1.274 297 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 297 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 298 K N 0.030 120.433 120.400 0.005 0.000 2.344 298 K HA 0.558 4.876 4.320 -0.005 0.000 0.260 298 K C 0.135 176.758 176.600 0.038 0.000 0.988 298 K CA 1.059 57.361 56.287 0.025 0.000 0.909 298 K CB 0.011 32.520 32.500 0.016 0.000 0.968 298 K HN 0.892 nan 8.250 nan 0.000 0.505 299 M N 1.404 121.056 119.600 0.088 0.000 2.238 299 M HA 0.548 5.025 4.480 -0.005 0.000 0.350 299 M C 0.119 176.510 176.300 0.151 0.000 1.138 299 M CA -0.590 54.777 55.300 0.111 0.000 1.040 299 M CB 1.594 34.273 32.600 0.131 0.000 1.639 299 M HN 0.815 nan 8.290 nan 0.000 0.451 300 A N 4.978 127.835 122.820 0.061 0.000 2.425 300 A HA 0.627 4.944 4.320 -0.005 0.000 0.249 300 A C -0.856 176.775 177.584 0.079 0.000 1.084 300 A CA -0.118 51.906 52.037 -0.022 0.000 0.781 300 A CB -0.213 18.753 19.000 -0.057 0.000 1.019 300 A HN 0.906 nan 8.150 nan 0.000 0.490 301 F N -1.301 118.589 119.950 -0.099 0.000 2.770 301 F HA 0.611 5.134 4.527 -0.007 0.000 0.313 301 F C -0.673 175.069 175.800 -0.096 0.000 1.154 301 F CA -0.814 57.103 58.000 -0.139 0.000 0.923 301 F CB 0.861 39.807 39.000 -0.091 0.000 1.301 301 F HN 0.303 nan 8.300 nan 0.000 0.449 302 T N 2.834 117.474 114.554 0.142 0.000 2.749 302 T HA 0.452 4.800 4.350 -0.005 0.000 0.287 302 T C -0.650 174.287 174.700 0.395 0.000 0.970 302 T CA -0.267 61.919 62.100 0.145 0.000 0.980 302 T CB 1.086 70.062 68.868 0.180 0.000 0.924 302 T HN 0.745 nan 8.240 nan 0.000 0.456 303 L N 4.489 125.880 121.223 0.281 0.000 2.375 303 L HA 0.540 4.877 4.340 -0.005 0.000 0.276 303 L C 0.627 177.652 176.870 0.258 0.000 1.162 303 L CA -0.247 54.836 54.840 0.405 0.000 0.991 303 L CB -0.604 41.624 42.059 0.281 0.000 1.315 303 L HN 0.734 nan 8.230 nan 0.000 0.431 304 A N 2.579 125.545 122.820 0.244 0.000 2.477 304 A HA 0.168 4.486 4.320 -0.005 0.000 0.246 304 A C 0.609 178.225 177.584 0.053 0.000 1.078 304 A CA -0.206 51.901 52.037 0.117 0.000 0.770 304 A CB 0.187 19.225 19.000 0.064 0.000 1.011 304 A HN 0.725 nan 8.150 nan 0.000 0.494 305 D N 0.228 120.642 120.400 0.024 0.000 2.367 305 D HA 0.110 4.747 4.640 -0.005 0.000 0.207 305 D C 0.672 176.949 176.300 -0.038 0.000 1.034 305 D CA 0.771 54.772 54.000 0.002 0.000 0.861 305 D CB 0.232 41.038 40.800 0.011 0.000 0.943 305 D HN 0.765 nan 8.370 nan 0.000 0.515 306 R N -1.410 119.055 120.500 -0.057 0.000 2.692 306 R HA 0.534 4.871 4.340 -0.005 0.000 0.269 306 R C -1.267 174.957 176.300 -0.127 0.000 1.030 306 R CA -0.840 55.208 56.100 -0.087 0.000 0.882 306 R CB 1.086 31.350 30.300 -0.060 0.000 1.250 306 R HN -0.298 nan 8.270 nan 0.000 0.465 307 V N 1.792 121.615 119.914 -0.151 0.000 2.555 307 V HA 0.305 4.422 4.120 -0.005 0.000 0.286 307 V C 0.478 176.476 176.094 -0.160 0.000 1.044 307 V CA 0.180 62.368 62.300 -0.187 0.000 1.026 307 V CB 1.080 32.814 31.823 -0.148 0.000 0.981 307 V HN 0.959 nan 8.190 nan 0.000 0.480 308 T N 0.415 114.834 114.554 -0.225 0.000 2.942 308 T HA 0.443 4.790 4.350 -0.005 0.000 0.289 308 T C 0.751 175.309 174.700 -0.237 0.000 1.044 308 T CA -0.472 61.506 62.100 -0.202 0.000 1.023 308 T CB 1.996 70.744 68.868 -0.200 0.000 1.123 308 T HN 0.525 nan 8.240 nan 0.000 0.512 309 E N 0.994 121.085 120.200 -0.183 0.000 2.085 309 E HA -0.230 4.117 4.350 -0.005 0.000 0.194 309 E C 1.836 178.297 176.600 -0.232 0.000 0.994 309 E CA 2.290 58.586 56.400 -0.174 0.000 0.801 309 E CB -0.397 29.229 29.700 -0.124 0.000 0.743 309 E HN 0.898 nan 8.360 nan 0.000 0.453 310 E N -0.417 119.610 120.200 -0.288 0.000 2.409 310 E HA -0.166 4.181 4.350 -0.005 0.000 0.198 310 E C 1.780 178.209 176.600 -0.284 0.000 1.024 310 E CA 0.977 57.178 56.400 -0.332 0.000 0.861 310 E CB -0.324 29.151 29.700 -0.375 0.000 0.788 310 E HN 0.366 nan 8.360 nan 0.000 0.521 311 M N 0.599 119.878 119.600 -0.535 0.000 2.595 311 M HA 0.104 4.581 4.480 -0.005 0.000 0.248 311 M C 0.847 176.737 176.300 -0.683 0.000 1.119 311 M CA 0.676 55.545 55.300 -0.719 0.000 1.079 311 M CB 0.268 32.392 32.600 -0.793 0.000 1.472 311 M HN 0.119 nan 8.290 nan 0.000 0.501 312 L N 0.062 120.950 121.223 -0.558 0.000 3.094 312 L HA 0.441 4.778 4.340 -0.005 0.000 0.254 312 L C 0.718 177.488 176.870 -0.167 0.000 1.298 312 L CA -0.829 53.545 54.840 -0.776 0.000 1.050 312 L CB -0.510 41.261 42.059 -0.481 0.000 1.420 312 L HN 0.023 nan 8.230 nan 0.000 0.548 313 A N 0.535 123.363 122.820 0.012 0.000 2.429 313 A HA 0.082 4.399 4.320 -0.005 0.000 0.242 313 A C 0.989 178.792 177.584 0.364 0.000 1.088 313 A CA 0.159 52.327 52.037 0.218 0.000 0.784 313 A CB 0.213 19.336 19.000 0.205 0.000 1.038 313 A HN 0.547 nan 8.150 nan 0.000 0.501 314 D N -0.773 119.791 120.400 0.272 0.000 2.363 314 D HA 0.057 4.694 4.640 -0.005 0.000 0.226 314 D C 0.315 176.749 176.300 0.223 0.000 1.020 314 D CA 0.804 54.947 54.000 0.238 0.000 0.892 314 D CB -0.023 40.864 40.800 0.146 0.000 0.900 314 D HN 0.442 nan 8.370 nan 0.000 0.531 315 K N -0.338 120.232 120.400 0.284 0.000 2.565 315 K HA 0.638 4.955 4.320 -0.005 0.000 0.251 315 K C -1.995 174.875 176.600 0.449 0.000 0.956 315 K CA -0.727 55.749 56.287 0.315 0.000 0.809 315 K CB 1.897 34.556 32.500 0.266 0.000 1.267 315 K HN 0.044 nan 8.250 nan 0.000 0.438 316 A N 1.951 125.068 122.820 0.495 0.000 2.608 316 A HA 0.758 5.075 4.320 -0.005 0.000 0.292 316 A C -1.761 176.105 177.584 0.471 0.000 1.066 316 A CA -0.573 51.739 52.037 0.457 0.000 0.676 316 A CB 1.444 20.674 19.000 0.382 0.000 1.277 316 A HN 0.717 nan 8.150 nan 0.000 0.413 317 A N 0.449 123.517 122.820 0.413 0.000 2.289 317 A HA 0.660 4.977 4.320 -0.005 0.000 0.298 317 A C -0.689 177.051 177.584 0.260 0.000 1.208 317 A CA -0.230 52.027 52.037 0.366 0.000 0.845 317 A CB 0.296 19.524 19.000 0.380 0.000 1.125 317 A HN 1.869 nan 8.150 nan 0.000 0.517 318 L N 3.508 124.878 121.223 0.245 0.000 2.365 318 L HA 0.736 5.073 4.340 -0.005 0.000 0.273 318 L C -1.104 175.867 176.870 0.168 0.000 1.000 318 L CA -0.322 54.661 54.840 0.239 0.000 0.819 318 L CB 2.219 44.447 42.059 0.282 0.000 1.284 318 L HN 0.388 nan 8.230 nan 0.000 0.418 319 V N 5.580 125.583 119.914 0.148 0.000 2.483 319 V HA 0.507 4.624 4.120 -0.005 0.000 0.297 319 V C -0.756 175.402 176.094 0.107 0.000 1.027 319 V CA -0.577 61.787 62.300 0.106 0.000 0.855 319 V CB 1.901 33.764 31.823 0.067 0.000 0.995 319 V HN 0.504 nan 8.190 nan 0.000 0.424 320 V N 4.064 124.032 119.914 0.091 0.000 2.289 320 V HA 0.337 4.454 4.120 -0.005 0.000 0.272 320 V C -0.009 176.119 176.094 0.057 0.000 1.026 320 V CA -0.637 61.710 62.300 0.079 0.000 0.807 320 V CB 1.377 33.245 31.823 0.076 0.000 1.044 320 V HN 0.928 nan 8.190 nan 0.000 0.443 321 E N 3.566 123.806 120.200 0.066 0.000 2.217 321 E HA 0.349 4.696 4.350 -0.005 0.000 0.279 321 E C -0.778 175.841 176.600 0.032 0.000 1.068 321 E CA 0.129 56.569 56.400 0.067 0.000 0.882 321 E CB 1.098 30.871 29.700 0.121 0.000 1.039 321 E HN 0.427 nan 8.360 nan 0.000 0.418 322 V N 6.463 126.384 119.914 0.013 0.000 2.349 322 V HA 0.101 4.218 4.120 -0.005 0.000 0.284 322 V C 0.815 176.881 176.094 -0.047 0.000 1.014 322 V CA -0.541 61.756 62.300 -0.005 0.000 0.826 322 V CB 1.405 33.242 31.823 0.024 0.000 1.009 322 V HN 0.682 nan 8.190 nan 0.000 0.431 323 V N 2.299 122.131 119.914 -0.137 0.000 2.488 323 V HA 0.024 4.141 4.120 -0.005 0.000 0.246 323 V C 1.263 177.266 176.094 -0.151 0.000 1.046 323 V CA 0.898 63.035 62.300 -0.272 0.000 1.053 323 V CB -0.220 31.305 31.823 -0.497 0.000 0.679 323 V HN 0.793 nan 8.190 nan 0.000 0.458 324 E N 0.852 120.998 120.200 -0.090 0.000 2.465 324 E HA -0.036 4.311 4.350 -0.005 0.000 0.260 324 E C 1.151 177.735 176.600 -0.027 0.000 0.980 324 E CA 0.216 56.581 56.400 -0.059 0.000 0.927 324 E CB 0.750 30.417 29.700 -0.055 0.000 0.934 324 E HN 0.499 nan 8.360 nan 0.000 0.459 325 E N 1.841 122.024 120.200 -0.029 0.000 2.058 325 E HA -0.173 4.174 4.350 -0.005 0.000 0.194 325 E C 0.681 177.241 176.600 -0.066 0.000 0.997 325 E CA 0.723 57.114 56.400 -0.015 0.000 0.801 325 E CB 0.121 29.811 29.700 -0.017 0.000 0.746 325 E HN 0.282 nan 8.360 nan 0.000 0.450 326 N N 0.472 119.105 118.700 -0.113 0.000 2.415 326 N HA -0.040 4.697 4.740 -0.005 0.000 0.246 326 N C -0.061 175.320 175.510 -0.215 0.000 1.078 326 N CA -0.041 52.872 53.050 -0.228 0.000 0.942 326 N CB 0.455 38.858 38.487 -0.139 0.000 1.140 326 N HN 0.097 nan 8.380 nan 0.000 0.501 327 Y N 1.336 121.553 120.300 -0.138 0.000 2.529 327 Y HA 0.239 4.787 4.550 -0.005 0.000 0.290 327 Y C 0.386 176.139 175.900 -0.245 0.000 1.177 327 Y CA -0.384 57.614 58.100 -0.170 0.000 1.305 327 Y CB -0.827 37.550 38.460 -0.138 0.000 1.047 327 Y HN 0.380 nan 8.280 nan 0.000 0.522 328 H N 2.876 121.867 119.070 -0.133 0.000 3.026 328 H HA 0.010 4.564 4.556 -0.004 0.000 0.289 328 H C 0.306 175.062 175.328 -0.953 0.000 1.022 328 H CA 0.974 56.768 56.048 -0.423 0.000 1.477 328 H CB 0.384 29.969 29.762 -0.295 0.000 1.510 328 H HN 0.352 nan 8.280 nan 0.000 0.535 329 D N 0.889 120.429 120.400 -1.434 0.000 2.837 329 D HA -0.176 4.461 4.640 -0.005 0.000 0.230 329 D C -0.217 175.866 176.300 -0.362 0.000 1.152 329 D CA 0.879 54.331 54.000 -0.913 0.000 0.736 329 D CB -0.728 39.384 40.800 -1.146 0.000 1.084 329 D HN 0.752 nan 8.370 nan 0.000 0.429 330 A N -0.140 122.546 122.820 -0.224 0.000 2.279 330 A HA 0.715 5.032 4.320 -0.005 0.000 0.303 330 A C -2.181 175.376 177.584 -0.044 0.000 1.108 330 A CA -1.070 50.903 52.037 -0.108 0.000 0.830 330 A CB 0.742 19.703 19.000 -0.065 0.000 1.106 330 A HN 0.093 nan 8.150 nan 0.000 0.493 331 P HA 0.341 nan 4.420 nan 0.000 0.271 331 P C -0.963 176.337 177.300 0.001 0.000 1.218 331 P CA 0.149 63.243 63.100 -0.011 0.000 0.780 331 P CB 0.439 32.131 31.700 -0.014 0.000 0.901 332 I N 2.564 123.142 120.570 0.013 0.000 2.328 332 I HA 0.065 4.232 4.170 -0.005 0.000 0.287 332 I C 1.425 177.556 176.117 0.023 0.000 1.012 332 I CA -0.507 60.805 61.300 0.019 0.000 1.195 332 I CB 1.563 39.579 38.000 0.027 0.000 1.350 332 I HN 0.196 nan 8.210 nan 0.000 0.464 333 V N 3.086 123.021 119.914 0.035 0.000 3.235 333 V HA 0.497 4.614 4.120 -0.005 0.000 0.259 333 V C 0.708 176.869 176.094 0.113 0.000 1.133 333 V CA 0.707 63.048 62.300 0.068 0.000 1.128 333 V CB -0.394 31.474 31.823 0.075 0.000 0.757 333 V HN 0.811 nan 8.190 nan 0.000 0.469 334 G N -0.638 108.213 108.800 0.084 0.000 2.489 334 G HA2 0.598 4.555 3.960 -0.005 0.000 0.291 334 G HA3 0.598 4.555 3.960 -0.005 0.000 0.291 334 G C -1.769 173.106 174.900 -0.041 0.000 1.487 334 G CA -0.712 44.417 45.100 0.049 0.000 0.795 334 G HN 0.191 nan 8.290 nan 0.000 0.513 335 I N 0.343 120.750 120.570 -0.271 0.000 2.582 335 I HA 0.711 4.879 4.170 -0.005 0.000 0.292 335 I C 0.091 176.108 176.117 -0.167 0.000 1.066 335 I CA -0.999 60.204 61.300 -0.161 0.000 1.053 335 I CB 2.339 40.227 38.000 -0.188 0.000 1.241 335 I HN 0.825 nan 8.210 nan 0.000 0.421 336 A N 5.473 128.303 122.820 0.017 0.000 2.414 336 A HA 0.893 5.210 4.320 -0.005 0.000 0.306 336 A C -1.372 176.276 177.584 0.107 0.000 1.054 336 A CA -0.536 51.538 52.037 0.062 0.000 0.724 336 A CB 1.861 20.900 19.000 0.066 0.000 1.267 336 A HN 0.391 nan 8.150 nan 0.000 0.418 337 V N 1.988 121.982 119.914 0.134 0.000 2.638 337 V HA 0.582 4.699 4.120 -0.005 0.000 0.306 337 V C -0.791 175.386 176.094 0.138 0.000 1.052 337 V CA -0.518 61.879 62.300 0.162 0.000 0.885 337 V CB 1.791 33.691 31.823 0.127 0.000 0.999 337 V HN 0.720 nan 8.190 nan 0.000 0.424 338 V N 5.346 125.257 119.914 -0.004 0.000 2.483 338 V HA 0.658 4.775 4.120 -0.005 0.000 0.297 338 V C -0.475 175.243 176.094 -0.626 0.000 1.027 338 V CA -0.465 61.676 62.300 -0.265 0.000 0.855 338 V CB 1.834 33.474 31.823 -0.305 0.000 0.995 338 V HN 1.134 nan 8.190 nan 0.000 0.424 339 N N 2.331 120.632 118.700 -0.664 0.000 3.418 339 N HA 0.269 5.006 4.740 -0.005 0.000 0.316 339 N C 0.734 175.873 175.510 -0.618 0.000 1.601 339 N CA -0.376 52.167 53.050 -0.845 0.000 0.805 339 N CB 0.583 38.937 38.487 -0.221 0.000 1.873 339 N HN 0.520 nan 8.380 nan 0.000 0.615 340 E N -1.348 118.659 120.200 -0.322 0.000 2.265 340 E HA -0.227 4.120 4.350 -0.005 0.000 0.196 340 E C 0.252 176.720 176.600 -0.220 0.000 0.996 340 E CA 1.209 57.500 56.400 -0.183 0.000 0.832 340 E CB -0.468 29.131 29.700 -0.168 0.000 0.756 340 E HN 0.542 nan 8.360 nan 0.000 0.491 341 H N 0.388 119.482 119.070 0.041 0.000 2.551 341 H HA 0.346 4.899 4.556 -0.005 0.000 0.266 341 H C 1.146 176.494 175.328 0.033 0.000 0.964 341 H CA 0.875 56.977 56.048 0.089 0.000 1.180 341 H CB 1.053 30.918 29.762 0.171 0.000 1.408 341 H HN 0.379 nan 8.280 nan 0.000 0.563 342 G N 0.385 109.164 108.800 -0.036 0.000 2.320 342 G HA2 0.069 4.026 3.960 -0.005 0.000 0.274 342 G HA3 0.069 4.026 3.960 -0.005 0.000 0.274 342 G C -1.402 173.149 174.900 -0.582 0.000 1.324 342 G CA -1.161 43.736 45.100 -0.338 0.000 0.957 342 G HN 0.127 nan 8.290 nan 0.000 0.481 343 R N -0.536 119.497 120.500 -0.779 0.000 2.534 343 R HA 0.705 5.043 4.340 -0.005 0.000 0.301 343 R C -1.449 174.427 176.300 -0.706 0.000 0.961 343 R CA -0.473 55.309 56.100 -0.530 0.000 0.871 343 R CB 1.554 31.742 30.300 -0.187 0.000 1.170 343 R HN 0.327 nan 8.270 nan 0.000 0.446 344 F N 1.708 121.685 119.950 0.046 0.000 2.588 344 F HA 0.492 5.020 4.527 0.001 0.000 0.310 344 F C -0.603 175.245 175.800 0.080 0.000 1.082 344 F CA -1.144 56.910 58.000 0.091 0.000 0.929 344 F CB 1.525 40.526 39.000 0.002 0.000 1.254 344 F HN 0.337 nan 8.300 nan 0.000 0.455 345 F N 3.362 123.419 119.950 0.178 0.000 2.507 345 F HA 0.821 5.346 4.527 -0.004 0.000 0.325 345 F C -1.815 174.009 175.800 0.039 0.000 1.116 345 F CA -0.978 57.037 58.000 0.026 0.000 0.930 345 F CB 1.106 40.081 39.000 -0.042 0.000 1.146 345 F HN 0.333 nan 8.300 nan 0.000 0.447 346 L N 6.124 126.803 121.223 -0.907 0.000 2.386 346 L HA 0.571 4.908 4.340 -0.005 0.000 0.271 346 L C -0.430 175.897 176.870 -0.905 0.000 0.993 346 L CA -1.049 53.362 54.840 -0.716 0.000 0.819 346 L CB 2.277 43.993 42.059 -0.572 0.000 1.294 346 L HN 0.565 nan 8.230 nan 0.000 0.414 347 R N 2.616 122.812 120.500 -0.505 0.000 2.389 347 R HA 0.169 4.506 4.340 -0.005 0.000 0.295 347 R C -1.738 174.410 176.300 -0.253 0.000 1.075 347 R CA -1.569 54.355 56.100 -0.294 0.000 1.005 347 R CB 0.751 31.000 30.300 -0.085 0.000 0.987 347 R HN 0.316 nan 8.270 nan 0.000 0.452 348 P HA -0.264 nan 4.420 nan 0.000 0.216 348 P C 1.012 178.261 177.300 -0.086 0.000 1.153 348 P CA 1.277 64.305 63.100 -0.120 0.000 0.858 348 P CB 0.126 31.796 31.700 -0.051 0.000 0.789 349 E N -0.192 119.974 120.200 -0.058 0.000 2.130 349 E HA -0.223 4.124 4.350 -0.005 0.000 0.196 349 E C 1.613 178.183 176.600 -0.050 0.000 0.998 349 E CA 2.398 58.777 56.400 -0.035 0.000 0.806 349 E CB -1.594 28.095 29.700 -0.018 0.000 0.738 349 E HN 0.356 nan 8.360 nan 0.000 0.459 350 T N -1.348 113.153 114.554 -0.089 0.000 2.866 350 T HA 0.321 4.668 4.350 -0.005 0.000 0.250 350 T C 2.286 176.900 174.700 -0.142 0.000 1.033 350 T CA 1.065 63.105 62.100 -0.100 0.000 1.145 350 T CB -0.285 68.518 68.868 -0.109 0.000 0.866 350 T HN 0.241 nan 8.240 nan 0.000 0.434 351 A N 2.002 124.666 122.820 -0.261 0.000 1.883 351 A HA 0.156 4.473 4.320 -0.005 0.000 0.217 351 A C 2.414 179.922 177.584 -0.128 0.000 1.186 351 A CA 1.517 53.288 52.037 -0.443 0.000 0.624 351 A CB -1.116 17.344 19.000 -0.900 0.000 0.822 351 A HN 0.561 nan 8.150 nan 0.000 0.444 352 L N -1.132 120.069 121.223 -0.035 0.000 2.551 352 L HA -0.062 4.275 4.340 -0.005 0.000 0.228 352 L C 2.475 179.390 176.870 0.075 0.000 1.153 352 L CA 0.621 55.519 54.840 0.096 0.000 0.851 352 L CB -0.319 41.781 42.059 0.068 0.000 0.959 352 L HN 0.477 nan 8.230 nan 0.000 0.451 353 A N -1.922 120.917 122.820 0.032 0.000 2.252 353 A HA -0.010 4.307 4.320 -0.005 0.000 0.213 353 A C 0.776 178.383 177.584 0.037 0.000 1.188 353 A CA -0.165 51.889 52.037 0.029 0.000 0.863 353 A CB 0.023 19.026 19.000 0.006 0.000 0.893 353 A HN 0.209 nan 8.150 nan 0.000 0.495 354 D N 0.544 120.973 120.400 0.049 0.000 2.325 354 D HA 0.192 4.829 4.640 -0.005 0.000 0.251 354 D C -1.795 174.569 176.300 0.107 0.000 1.196 354 D CA -1.574 52.463 54.000 0.061 0.000 0.866 354 D CB 1.393 42.219 40.800 0.043 0.000 1.101 354 D HN -0.012 nan 8.370 nan 0.000 0.476 355 P HA -0.167 nan 4.420 nan 0.000 0.216 355 P C 1.015 178.364 177.300 0.081 0.000 1.153 355 P CA 1.260 64.399 63.100 0.065 0.000 0.858 355 P CB 0.425 32.149 31.700 0.039 0.000 0.789 356 Q N -1.965 117.886 119.800 0.085 0.000 2.079 356 Q HA -0.106 4.231 4.340 -0.005 0.000 0.200 356 Q C 1.940 178.030 176.000 0.150 0.000 0.974 356 Q CA 1.309 57.166 55.803 0.090 0.000 0.840 356 Q CB -1.316 27.454 28.738 0.054 0.000 0.898 356 Q HN 0.231 nan 8.270 nan 0.000 0.430 357 F N -0.097 119.871 119.950 0.031 0.000 2.146 357 F HA -0.164 4.360 4.527 -0.005 0.000 0.298 357 F C 1.856 177.760 175.800 0.174 0.000 1.096 357 F CA 0.843 58.891 58.000 0.079 0.000 1.275 357 F CB -0.186 38.816 39.000 0.003 0.000 1.008 357 F HN -0.139 nan 8.300 nan 0.000 0.480 358 V N 0.354 120.373 119.914 0.174 0.000 2.343 358 V HA -0.316 3.802 4.120 -0.005 0.000 0.247 358 V C 2.712 178.801 176.094 -0.007 0.000 1.051 358 V CA 1.797 64.135 62.300 0.064 0.000 1.036 358 V CB -1.527 30.347 31.823 0.085 0.000 0.654 358 V HN 0.459 nan 8.190 nan 0.000 0.451 359 A N -0.994 121.845 122.820 0.031 0.000 1.933 359 A HA -0.286 4.031 4.320 -0.005 0.000 0.218 359 A C 1.956 179.540 177.584 -0.000 0.000 1.175 359 A CA 1.957 54.001 52.037 0.012 0.000 0.628 359 A CB -0.908 18.115 19.000 0.038 0.000 0.814 359 A HN 0.752 nan 8.150 nan 0.000 0.444 360 W N 0.685 121.877 121.300 -0.180 0.000 2.358 360 W HA -0.146 4.511 4.660 -0.005 0.000 0.303 360 W C 1.711 178.071 176.519 -0.265 0.000 1.208 360 W CA 1.822 59.037 57.345 -0.218 0.000 1.274 360 W CB -0.341 28.953 29.460 -0.278 0.000 1.138 360 W HN 0.249 nan 8.180 nan 0.000 0.515 361 L N 0.231 121.245 121.223 -0.349 0.000 2.042 361 L HA -0.114 4.223 4.340 -0.005 0.000 0.210 361 L C 2.489 179.126 176.870 -0.388 0.000 1.076 361 L CA 1.580 56.123 54.840 -0.494 0.000 0.749 361 L CB -1.390 40.485 42.059 -0.306 0.000 0.893 361 L HN 0.242 nan 8.230 nan 0.000 0.432 362 G N -1.832 106.818 108.800 -0.249 0.000 2.985 362 G HA2 -0.118 3.839 3.960 -0.005 0.000 0.209 362 G HA3 -0.118 3.839 3.960 -0.005 0.000 0.209 362 G C 0.196 174.985 174.900 -0.185 0.000 1.165 362 G CA -0.196 44.790 45.100 -0.190 0.000 0.776 362 G HN 0.147 nan 8.290 nan 0.000 0.541 363 D N 0.889 121.148 120.400 -0.235 0.000 2.365 363 D HA 0.073 4.710 4.640 -0.005 0.000 0.237 363 D C 1.217 177.388 176.300 -0.215 0.000 1.190 363 D CA -0.403 53.484 54.000 -0.188 0.000 0.867 363 D CB 0.835 41.539 40.800 -0.160 0.000 1.050 363 D HN 0.107 nan 8.370 nan 0.000 0.491 364 E N 2.215 122.325 120.200 -0.149 0.000 2.265 364 E HA -0.169 4.179 4.350 -0.005 0.000 0.196 364 E C 1.215 177.747 176.600 -0.112 0.000 0.996 364 E CA 1.085 57.406 56.400 -0.131 0.000 0.832 364 E CB 0.233 29.878 29.700 -0.091 0.000 0.756 364 E HN 0.609 nan 8.360 nan 0.000 0.491 365 T N -1.542 112.955 114.554 -0.094 0.000 3.113 365 T HA 0.053 4.400 4.350 -0.005 0.000 0.256 365 T C 0.738 175.403 174.700 -0.059 0.000 1.131 365 T CA -0.028 62.037 62.100 -0.058 0.000 1.074 365 T CB 0.161 69.012 68.868 -0.028 0.000 0.944 365 T HN -0.183 nan 8.240 nan 0.000 0.516 366 K N 2.821 123.140 120.400 -0.136 0.000 2.268 366 K HA 0.339 4.656 4.320 -0.005 0.000 0.276 366 K C -0.314 176.160 176.600 -0.210 0.000 1.080 366 K CA -0.370 55.824 56.287 -0.156 0.000 0.910 366 K CB 1.075 33.333 32.500 -0.403 0.000 1.163 366 K HN 0.204 nan 8.250 nan 0.000 0.465 367 K N 2.645 123.010 120.400 -0.058 0.000 2.276 367 K HA 0.244 4.562 4.320 -0.005 0.000 0.283 367 K C -0.074 176.533 176.600 0.011 0.000 1.044 367 K CA -0.502 55.764 56.287 -0.035 0.000 0.944 367 K CB 0.732 33.245 32.500 0.022 0.000 1.012 367 K HN 0.262 nan 8.250 nan 0.000 0.472 368 K N 0.583 120.970 120.400 -0.021 0.000 2.316 368 K HA 0.385 4.702 4.320 -0.005 0.000 0.251 368 K C -0.744 175.925 176.600 0.115 0.000 0.934 368 K CA -0.456 55.863 56.287 0.054 0.000 0.802 368 K CB 1.983 34.444 32.500 -0.065 0.000 1.171 368 K HN 0.314 nan 8.250 nan 0.000 0.426 369 S N 2.700 118.523 115.700 0.206 0.000 2.449 369 S HA 0.639 5.107 4.470 -0.005 0.000 0.310 369 S C -0.637 174.096 174.600 0.222 0.000 1.096 369 S CA -0.794 57.568 58.200 0.271 0.000 1.095 369 S CB 0.472 63.866 63.200 0.324 0.000 1.007 369 S HN 0.466 nan 8.310 nan 0.000 0.474 370 M N 1.869 121.558 119.600 0.148 0.000 2.948 370 M HA 0.594 5.071 4.480 -0.005 0.000 0.278 370 M C -1.680 174.664 176.300 0.074 0.000 1.293 370 M CA -0.745 54.620 55.300 0.108 0.000 0.777 370 M CB 1.600 34.227 32.600 0.046 0.000 1.713 370 M HN 0.590 nan 8.290 nan 0.000 0.444 371 F N 1.660 121.574 119.950 -0.060 0.000 2.539 371 F HA 0.379 4.903 4.527 -0.004 0.000 0.328 371 F C -0.538 175.214 175.800 -0.080 0.000 1.148 371 F CA -0.300 57.644 58.000 -0.093 0.000 0.940 371 F CB 0.871 39.832 39.000 -0.065 0.000 1.194 371 F HN 0.696 nan 8.300 nan 0.000 0.438 372 D N 3.369 123.517 120.400 -0.420 0.000 2.848 372 D HA -0.210 4.427 4.640 -0.005 0.000 0.245 372 D C 0.962 177.171 176.300 -0.151 0.000 1.122 372 D CA 1.026 54.868 54.000 -0.263 0.000 0.769 372 D CB -0.738 40.013 40.800 -0.081 0.000 1.025 372 D HN 0.630 nan 8.370 nan 0.000 0.423 373 S N 0.544 116.143 115.700 -0.168 0.000 2.423 373 S HA -0.216 4.252 4.470 -0.005 0.000 0.231 373 S C 1.860 176.359 174.600 -0.169 0.000 1.014 373 S CA 1.387 59.505 58.200 -0.137 0.000 0.965 373 S CB 0.043 63.167 63.200 -0.127 0.000 0.785 373 S HN 0.535 nan 8.310 nan 0.000 0.495 374 K N 1.812 122.101 120.400 -0.186 0.000 2.057 374 K HA -0.107 4.211 4.320 -0.005 0.000 0.207 374 K C 2.522 178.865 176.600 -0.427 0.000 1.049 374 K CA 1.268 57.432 56.287 -0.206 0.000 0.931 374 K CB -0.262 32.169 32.500 -0.114 0.000 0.714 374 K HN 0.462 nan 8.250 nan 0.000 0.440 375 R N 0.178 120.348 120.500 -0.549 0.000 2.083 375 R HA -0.168 4.169 4.340 -0.005 0.000 0.237 375 R C 2.096 178.057 176.300 -0.565 0.000 1.137 375 R CA 1.701 57.225 56.100 -0.960 0.000 0.951 375 R CB -0.441 29.598 30.300 -0.436 0.000 0.851 375 R HN 0.287 nan 8.270 nan 0.000 0.434 376 A N 0.660 123.312 122.820 -0.280 0.000 1.898 376 A HA -0.030 4.287 4.320 -0.005 0.000 0.216 376 A C 2.410 179.905 177.584 -0.149 0.000 1.181 376 A CA 1.535 53.481 52.037 -0.151 0.000 0.620 376 A CB -0.832 18.122 19.000 -0.078 0.000 0.819 376 A HN 0.575 nan 8.150 nan 0.000 0.442 377 A N -0.516 122.197 122.820 -0.177 0.000 1.883 377 A HA -0.033 4.284 4.320 -0.005 0.000 0.217 377 A C 2.244 179.732 177.584 -0.160 0.000 1.186 377 A CA 1.931 53.873 52.037 -0.158 0.000 0.624 377 A CB -0.958 17.953 19.000 -0.149 0.000 0.822 377 A HN 0.394 nan 8.150 nan 0.000 0.444 378 V N -0.254 119.562 119.914 -0.163 0.000 2.307 378 V HA -0.205 3.912 4.120 -0.005 0.000 0.245 378 V C 3.058 179.253 176.094 0.168 0.000 1.045 378 V CA 1.841 64.140 62.300 -0.002 0.000 1.024 378 V CB -1.232 30.662 31.823 0.118 0.000 0.651 378 V HN 0.615 nan 8.190 nan 0.000 0.449 379 A N -0.291 122.570 122.820 0.068 0.000 1.940 379 A HA -0.170 4.147 4.320 -0.005 0.000 0.219 379 A C 2.212 179.874 177.584 0.130 0.000 1.176 379 A CA 1.815 53.940 52.037 0.147 0.000 0.631 379 A CB -0.524 18.500 19.000 0.039 0.000 0.814 379 A HN 0.514 nan 8.150 nan 0.000 0.446 380 L N -1.050 120.183 121.223 0.018 0.000 2.109 380 L HA -0.142 4.195 4.340 -0.005 0.000 0.207 380 L C 2.533 179.355 176.870 -0.080 0.000 1.086 380 L CA 1.353 56.186 54.840 -0.012 0.000 0.760 380 L CB -0.358 41.673 42.059 -0.047 0.000 0.910 380 L HN 0.336 nan 8.230 nan 0.000 0.437 381 K N -0.603 119.656 120.400 -0.235 0.000 2.103 381 K HA -0.213 4.104 4.320 -0.005 0.000 0.207 381 K C 1.877 178.184 176.600 -0.488 0.000 1.048 381 K CA 1.759 57.668 56.287 -0.628 0.000 0.930 381 K CB -0.246 31.460 32.500 -1.323 0.000 0.716 381 K HN 0.273 nan 8.250 nan 0.000 0.444 382 W N 1.244 122.453 121.300 -0.152 0.000 2.525 382 W HA -0.084 4.573 4.660 -0.005 0.000 0.259 382 W C 1.405 177.971 176.519 0.078 0.000 1.253 382 W CA 0.720 58.158 57.345 0.156 0.000 1.262 382 W CB 0.206 29.777 29.460 0.185 0.000 1.122 382 W HN -0.043 nan 8.180 nan 0.000 0.607 383 K N -0.430 120.087 120.400 0.195 0.000 2.372 383 K HA 0.250 4.568 4.320 -0.005 0.000 0.200 383 K C 1.258 177.896 176.600 0.063 0.000 1.022 383 K CA 0.511 56.874 56.287 0.127 0.000 1.125 383 K CB 0.427 32.985 32.500 0.098 0.000 0.855 383 K HN 0.030 nan 8.250 nan 0.000 0.524 384 G N 2.023 110.834 108.800 0.019 0.000 2.160 384 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.251 384 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.251 384 G C -0.033 174.846 174.900 -0.035 0.000 1.008 384 G CA 0.012 45.105 45.100 -0.013 0.000 0.724 384 G HN 0.271 nan 8.290 nan 0.000 0.514 385 I N 0.203 120.740 120.570 -0.055 0.000 2.433 385 I HA 0.391 4.558 4.170 -0.005 0.000 0.292 385 I C 0.288 176.344 176.117 -0.100 0.000 1.001 385 I CA -0.804 60.465 61.300 -0.051 0.000 1.119 385 I CB 1.888 39.883 38.000 -0.008 0.000 1.289 385 I HN 0.207 nan 8.210 nan 0.000 0.438 386 E N 6.045 126.185 120.200 -0.101 0.000 2.227 386 E HA 0.381 4.729 4.350 -0.005 0.000 0.282 386 E C -1.512 175.006 176.600 -0.137 0.000 1.015 386 E CA -0.802 55.522 56.400 -0.126 0.000 0.823 386 E CB 1.626 31.259 29.700 -0.111 0.000 1.081 386 E HN 0.394 nan 8.360 nan 0.000 0.396 387 L N 5.920 127.053 121.223 -0.149 0.000 2.298 387 L HA 0.432 4.769 4.340 -0.005 0.000 0.284 387 L C -1.509 175.257 176.870 -0.173 0.000 1.013 387 L CA -0.218 54.520 54.840 -0.170 0.000 0.824 387 L CB 0.690 42.659 42.059 -0.149 0.000 1.221 387 L HN 0.689 nan 8.230 nan 0.000 0.418 388 C N 2.261 121.435 119.300 -0.210 0.000 2.913 388 C HA 0.835 5.292 4.460 -0.005 0.000 0.322 388 C C 1.142 175.999 174.990 -0.221 0.000 1.292 388 C CA -0.098 58.809 59.018 -0.185 0.000 1.649 388 C CB 1.356 28.997 27.740 -0.165 0.000 2.139 388 C HN 1.097 nan 8.230 nan 0.000 0.475 389 G N 0.357 109.057 108.800 -0.168 0.000 2.143 389 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.248 389 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.248 389 G C -0.132 174.691 174.900 -0.128 0.000 0.991 389 G CA 0.303 45.308 45.100 -0.159 0.000 0.689 389 G HN 0.877 nan 8.290 nan 0.000 0.522 390 V N 1.960 121.808 119.914 -0.110 0.000 2.397 390 V HA 0.364 4.481 4.120 -0.005 0.000 0.262 390 V C 1.610 177.686 176.094 -0.029 0.000 1.047 390 V CA 0.956 63.214 62.300 -0.071 0.000 1.003 390 V CB 0.952 32.725 31.823 -0.083 0.000 1.037 390 V HN 0.808 nan 8.190 nan 0.000 0.480 391 S N 4.107 119.819 115.700 0.020 0.000 2.517 391 S HA 0.233 4.700 4.470 -0.005 0.000 0.214 391 S C -0.039 174.653 174.600 0.154 0.000 0.991 391 S CA -0.063 58.173 58.200 0.059 0.000 0.906 391 S CB 0.093 63.325 63.200 0.054 0.000 0.789 391 S HN 0.555 nan 8.310 nan 0.000 0.513 392 F N 1.634 121.566 119.950 -0.031 0.000 2.605 392 F HA 0.519 5.044 4.527 -0.004 0.000 0.320 392 F C -2.059 173.716 175.800 -0.043 0.000 1.159 392 F CA -1.033 56.948 58.000 -0.031 0.000 0.999 392 F CB 1.749 40.734 39.000 -0.026 0.000 1.258 392 F HN -0.040 nan 8.300 nan 0.000 0.464 393 D N 6.224 126.150 120.400 -0.791 0.000 2.453 393 D HA 0.155 4.792 4.640 -0.005 0.000 0.238 393 D C 0.613 176.314 176.300 -0.999 0.000 1.088 393 D CA -0.286 53.317 54.000 -0.661 0.000 0.854 393 D CB 1.729 42.286 40.800 -0.404 0.000 1.076 393 D HN 0.690 nan 8.370 nan 0.000 0.533 394 L N 5.195 125.921 121.223 -0.829 0.000 2.131 394 L HA -0.104 4.233 4.340 -0.005 0.000 0.210 394 L C 1.833 178.415 176.870 -0.479 0.000 1.092 394 L CA 1.438 55.920 54.840 -0.597 0.000 0.759 394 L CB -0.543 41.471 42.059 -0.074 0.000 0.903 394 L HN 0.522 nan 8.230 nan 0.000 0.435 395 L N -0.910 119.830 121.223 -0.806 0.000 2.017 395 L HA -0.173 4.164 4.340 -0.005 0.000 0.208 395 L C 2.235 178.893 176.870 -0.353 0.000 1.073 395 L CA 1.880 56.183 54.840 -0.896 0.000 0.745 395 L CB -0.631 40.631 42.059 -1.329 0.000 0.894 395 L HN 0.277 nan 8.230 nan 0.000 0.432 396 L N -0.604 120.422 121.223 -0.328 0.000 2.141 396 L HA -0.110 4.228 4.340 -0.005 0.000 0.209 396 L C 2.670 179.537 176.870 -0.005 0.000 1.094 396 L CA 0.938 55.714 54.840 -0.106 0.000 0.763 396 L CB -0.979 40.997 42.059 -0.139 0.000 0.908 396 L HN 0.391 nan 8.230 nan 0.000 0.437 397 A N 0.332 123.075 122.820 -0.127 0.000 1.877 397 A HA -0.153 4.165 4.320 -0.005 0.000 0.216 397 A C 2.564 180.306 177.584 0.263 0.000 1.186 397 A CA 1.725 53.804 52.037 0.069 0.000 0.620 397 A CB -0.696 18.344 19.000 0.067 0.000 0.822 397 A HN 0.373 nan 8.150 nan 0.000 0.443 398 A N -1.451 121.522 122.820 0.255 0.000 1.902 398 A HA -0.116 4.201 4.320 -0.005 0.000 0.217 398 A C 2.147 179.902 177.584 0.286 0.000 1.181 398 A CA 1.744 54.024 52.037 0.406 0.000 0.623 398 A CB -0.868 18.343 19.000 0.352 0.000 0.818 398 A HN 0.759 nan 8.150 nan 0.000 0.443 399 Y N 0.679 121.031 120.300 0.086 0.000 2.128 399 Y HA -0.192 4.355 4.550 -0.005 0.000 0.284 399 Y C 1.907 177.853 175.900 0.076 0.000 1.154 399 Y CA 1.870 60.010 58.100 0.067 0.000 1.149 399 Y CB -0.410 38.058 38.460 0.013 0.000 0.976 399 Y HN 0.220 nan 8.280 nan 0.000 0.505 400 L N -0.700 120.503 121.223 -0.033 0.000 2.093 400 L HA -0.216 4.121 4.340 -0.005 0.000 0.208 400 L C 2.494 179.326 176.870 -0.065 0.000 1.085 400 L CA 0.993 55.749 54.840 -0.140 0.000 0.755 400 L CB -0.590 41.460 42.059 -0.015 0.000 0.904 400 L HN 0.280 nan 8.230 nan 0.000 0.435 401 L N -0.860 120.392 121.223 0.048 0.000 2.083 401 L HA -0.105 4.232 4.340 -0.005 0.000 0.209 401 L C 0.303 177.246 176.870 0.121 0.000 1.083 401 L CA 0.990 55.871 54.840 0.068 0.000 0.752 401 L CB -0.062 42.043 42.059 0.076 0.000 0.899 401 L HN 0.268 nan 8.230 nan 0.000 0.433 402 D N -1.877 118.587 120.400 0.107 0.000 2.362 402 D HA 0.088 4.725 4.640 -0.005 0.000 0.228 402 D C -2.047 174.320 176.300 0.112 0.000 1.326 402 D CA -1.038 53.056 54.000 0.156 0.000 0.927 402 D CB 1.118 42.001 40.800 0.138 0.000 1.501 402 D HN -0.191 nan 8.370 nan 0.000 0.519 403 P HA -0.039 nan 4.420 nan 0.000 0.225 403 P C 1.022 178.428 177.300 0.176 0.000 1.148 403 P CA 0.415 63.563 63.100 0.080 0.000 0.779 403 P CB 0.352 31.977 31.700 -0.126 0.000 0.780 404 A N -0.192 122.719 122.820 0.152 0.000 2.119 404 A HA -0.110 4.207 4.320 -0.005 0.000 0.216 404 A C 2.300 179.966 177.584 0.137 0.000 1.152 404 A CA 0.921 53.048 52.037 0.149 0.000 0.708 404 A CB -0.907 18.182 19.000 0.148 0.000 0.805 404 A HN 0.076 nan 8.150 nan 0.000 0.460 405 Q N -0.389 119.495 119.800 0.141 0.000 2.369 405 Q HA 0.121 4.458 4.340 -0.005 0.000 0.206 405 Q C 1.213 177.299 176.000 0.143 0.000 0.963 405 Q CA 0.909 56.789 55.803 0.130 0.000 0.894 405 Q CB -0.640 28.178 28.738 0.133 0.000 0.965 405 Q HN 0.906 nan 8.270 nan 0.000 0.475 406 G N -0.097 108.803 108.800 0.167 0.000 2.283 406 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.280 406 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.280 406 G C -0.183 174.817 174.900 0.167 0.000 1.029 406 G CA 0.301 45.497 45.100 0.160 0.000 0.840 406 G HN 0.259 nan 8.290 nan 0.000 0.505 407 V N 0.988 121.021 119.914 0.199 0.000 2.475 407 V HA 0.230 4.348 4.120 -0.005 0.000 0.292 407 V C 1.189 177.438 176.094 0.259 0.000 1.003 407 V CA 1.425 63.863 62.300 0.230 0.000 1.120 407 V CB 0.796 32.785 31.823 0.277 0.000 0.937 407 V HN 0.683 nan 8.190 nan 0.000 0.476 408 D N 1.479 122.029 120.400 0.250 0.000 2.503 408 D HA 0.188 4.825 4.640 -0.005 0.000 0.218 408 D C -0.091 176.386 176.300 0.296 0.000 1.183 408 D CA -0.219 53.947 54.000 0.276 0.000 0.827 408 D CB 0.403 41.307 40.800 0.174 0.000 1.034 408 D HN 0.638 nan 8.370 nan 0.000 0.510 409 D N -1.564 118.930 120.400 0.156 0.000 2.622 409 D HA 0.068 4.706 4.640 -0.005 0.000 0.255 409 D C 0.854 176.757 176.300 -0.662 0.000 1.246 409 D CA -0.883 52.938 54.000 -0.299 0.000 0.795 409 D CB 1.231 41.976 40.800 -0.091 0.000 1.369 409 D HN -0.217 nan 8.370 nan 0.000 0.425 410 V N 0.812 120.119 119.914 -1.011 0.000 2.332 410 V HA -0.218 3.899 4.120 -0.005 0.000 0.248 410 V C 2.642 178.612 176.094 -0.207 0.000 1.055 410 V CA 2.904 64.803 62.300 -0.667 0.000 1.038 410 V CB -1.152 30.380 31.823 -0.484 0.000 0.651 410 V HN 0.800 nan 8.190 nan 0.000 0.450 411 A N -0.052 122.704 122.820 -0.106 0.000 1.908 411 A HA -0.185 4.133 4.320 -0.005 0.000 0.218 411 A C 2.425 180.047 177.584 0.063 0.000 1.181 411 A CA 2.324 54.375 52.037 0.024 0.000 0.627 411 A CB -0.797 18.231 19.000 0.047 0.000 0.818 411 A HN 0.608 nan 8.150 nan 0.000 0.445 412 A N -0.393 122.459 122.820 0.053 0.000 1.930 412 A HA 0.205 4.522 4.320 -0.005 0.000 0.217 412 A C 2.486 180.170 177.584 0.167 0.000 1.175 412 A CA 1.988 54.091 52.037 0.110 0.000 0.627 412 A CB -0.915 18.158 19.000 0.122 0.000 0.815 412 A HN 1.035 nan 8.150 nan 0.000 0.443 413 A N -0.125 122.803 122.820 0.180 0.000 1.898 413 A HA 0.220 4.537 4.320 -0.005 0.000 0.216 413 A C 2.492 180.269 177.584 0.321 0.000 1.181 413 A CA 1.875 54.077 52.037 0.276 0.000 0.620 413 A CB -0.994 18.131 19.000 0.209 0.000 0.819 413 A HN 1.031 nan 8.150 nan 0.000 0.442 414 A N -0.309 122.624 122.820 0.190 0.000 1.933 414 A HA -0.176 4.141 4.320 -0.005 0.000 0.218 414 A C 2.091 179.840 177.584 0.274 0.000 1.175 414 A CA 1.947 54.116 52.037 0.221 0.000 0.628 414 A CB -0.438 18.665 19.000 0.172 0.000 0.814 414 A HN 0.519 nan 8.150 nan 0.000 0.444 415 K N -0.920 119.608 120.400 0.214 0.000 2.283 415 K HA -0.009 4.308 4.320 -0.005 0.000 0.202 415 K C 1.817 178.508 176.600 0.150 0.000 1.048 415 K CA 1.065 57.453 56.287 0.168 0.000 0.948 415 K CB -0.225 32.350 32.500 0.124 0.000 0.742 415 K HN 0.546 nan 8.250 nan 0.000 0.458 416 M N 0.174 119.885 119.600 0.186 0.000 2.374 416 M HA -0.109 4.368 4.480 -0.005 0.000 0.264 416 M C 0.781 177.116 176.300 0.058 0.000 1.067 416 M CA 1.292 56.664 55.300 0.119 0.000 1.103 416 M CB 0.322 33.017 32.600 0.158 0.000 1.402 416 M HN -0.139 nan 8.290 nan 0.000 0.444 417 K N 0.393 120.871 120.400 0.130 0.000 2.618 417 K HA 0.156 4.473 4.320 -0.005 0.000 0.207 417 K C -0.117 176.566 176.600 0.140 0.000 1.058 417 K CA 0.058 56.403 56.287 0.097 0.000 1.086 417 K CB 0.678 33.255 32.500 0.129 0.000 0.827 417 K HN 0.189 nan 8.250 nan 0.000 0.481 418 Q N -0.683 119.193 119.800 0.126 0.000 2.475 418 Q HA -0.265 4.072 4.340 -0.005 0.000 0.280 418 Q C -0.728 175.357 176.000 0.143 0.000 1.234 418 Q CA 0.936 56.802 55.803 0.106 0.000 0.873 418 Q CB -2.865 25.909 28.738 0.060 0.000 1.256 418 Q HN 0.458 nan 8.270 nan 0.000 0.475 419 Y N 0.186 120.530 120.300 0.073 0.000 2.342 419 Y HA 0.361 4.912 4.550 0.001 0.000 0.338 419 Y C 0.658 176.596 175.900 0.063 0.000 0.965 419 Y CA -0.550 57.594 58.100 0.073 0.000 1.159 419 Y CB 0.943 39.462 38.460 0.099 0.000 1.157 419 Y HN 0.051 nan 8.280 nan 0.000 0.486 420 E N 3.678 123.831 120.200 -0.078 0.000 2.876 420 E HA 0.267 4.614 4.350 -0.005 0.000 0.208 420 E C 0.109 176.674 176.600 -0.059 0.000 0.981 420 E CA -0.104 56.303 56.400 0.010 0.000 1.174 420 E CB 0.802 30.504 29.700 0.004 0.000 1.047 420 E HN 0.621 nan 8.360 nan 0.000 0.477 421 A N 1.407 124.083 122.820 -0.240 0.000 2.840 421 A HA 0.331 4.648 4.320 -0.005 0.000 0.269 421 A C -0.074 177.574 177.584 0.107 0.000 1.439 421 A CA -0.027 51.931 52.037 -0.133 0.000 1.083 421 A CB 0.071 18.887 19.000 -0.307 0.000 1.019 421 A HN 0.106 nan 8.150 nan 0.000 0.607 422 V N -0.281 119.720 119.914 0.145 0.000 3.000 422 V HA 0.444 4.562 4.120 -0.005 0.000 0.300 422 V C -1.006 175.162 176.094 0.123 0.000 1.251 422 V CA -0.966 61.431 62.300 0.162 0.000 0.972 422 V CB 1.995 33.936 31.823 0.196 0.000 1.065 422 V HN 0.684 nan 8.190 nan 0.000 0.431 423 R N 5.169 125.751 120.500 0.137 0.000 2.500 423 R HA 0.556 4.894 4.340 -0.005 0.000 0.277 423 R C -2.568 173.784 176.300 0.088 0.000 1.026 423 R CA -1.650 54.489 56.100 0.065 0.000 1.058 423 R CB 0.985 31.260 30.300 -0.041 0.000 1.078 423 R HN 0.488 nan 8.270 nan 0.000 0.509 424 P HA 0.005 nan 4.420 nan 0.000 0.271 424 P C -0.257 177.034 177.300 -0.014 0.000 1.218 424 P CA -0.125 62.991 63.100 0.027 0.000 0.780 424 P CB 0.634 32.343 31.700 0.015 0.000 0.901 425 D N 1.308 121.747 120.400 0.064 0.000 2.123 425 D HA -0.196 4.442 4.640 -0.005 0.000 0.196 425 D C 1.552 177.870 176.300 0.029 0.000 0.992 425 D CA 1.394 55.454 54.000 0.100 0.000 0.833 425 D CB -0.181 40.798 40.800 0.298 0.000 0.954 425 D HN 0.599 nan 8.370 nan 0.000 0.455 426 E N 0.382 120.614 120.200 0.054 0.000 2.160 426 E HA -0.162 4.185 4.350 -0.005 0.000 0.195 426 E C 1.913 178.495 176.600 -0.029 0.000 0.991 426 E CA 0.944 57.371 56.400 0.045 0.000 0.810 426 E CB 0.048 29.775 29.700 0.045 0.000 0.742 426 E HN 0.180 nan 8.360 nan 0.000 0.466 427 A N 0.186 122.956 122.820 -0.085 0.000 1.969 427 A HA -0.092 4.225 4.320 -0.005 0.000 0.218 427 A C 2.257 179.717 177.584 -0.207 0.000 1.169 427 A CA 1.175 53.142 52.037 -0.117 0.000 0.635 427 A CB -0.180 18.756 19.000 -0.108 0.000 0.810 427 A HN 0.214 nan 8.150 nan 0.000 0.445 428 V N -2.014 117.669 119.914 -0.386 0.000 2.379 428 V HA -0.123 3.994 4.120 -0.005 0.000 0.243 428 V C 2.098 177.902 176.094 -0.484 0.000 1.035 428 V CA 1.404 63.344 62.300 -0.600 0.000 1.035 428 V CB -0.858 30.235 31.823 -1.216 0.000 0.673 428 V HN 0.636 nan 8.190 nan 0.000 0.457 429 Y N 0.674 120.913 120.300 -0.102 0.000 2.510 429 Y HA 0.522 5.070 4.550 -0.003 0.000 0.273 429 Y C 1.543 177.426 175.900 -0.029 0.000 1.119 429 Y CA 0.195 58.268 58.100 -0.046 0.000 1.286 429 Y CB -0.440 38.010 38.460 -0.016 0.000 1.061 429 Y HN 0.335 nan 8.280 nan 0.000 0.542 430 G N 1.231 110.080 108.800 0.081 0.000 2.725 430 G HA2 -0.191 3.766 3.960 -0.005 0.000 0.220 430 G HA3 -0.191 3.766 3.960 -0.005 0.000 0.220 430 G C -0.656 174.285 174.900 0.069 0.000 1.357 430 G CA -0.369 44.762 45.100 0.052 0.000 0.866 430 G HN 0.412 nan 8.290 nan 0.000 0.548 431 K N -0.742 119.685 120.400 0.045 0.000 2.443 431 K HA 0.823 5.141 4.320 -0.005 0.000 0.251 431 K C 1.064 177.681 176.600 0.030 0.000 0.972 431 K CA 0.086 56.397 56.287 0.041 0.000 0.833 431 K CB 1.641 34.162 32.500 0.035 0.000 1.317 431 K HN 2.532 nan 8.250 nan 0.000 0.441 432 G N 1.006 109.821 108.800 0.025 0.000 2.614 432 G HA2 -0.433 3.525 3.960 -0.005 0.000 0.303 432 G HA3 -0.433 3.525 3.960 -0.005 0.000 0.303 432 G C 0.997 175.905 174.900 0.014 0.000 1.270 432 G CA 1.023 46.133 45.100 0.016 0.000 0.988 432 G HN 1.170 nan 8.290 nan 0.000 0.551 433 A N -0.968 121.858 122.820 0.011 0.000 2.070 433 A HA 0.065 4.382 4.320 -0.005 0.000 0.220 433 A C 2.171 179.763 177.584 0.012 0.000 1.159 433 A CA 2.413 54.455 52.037 0.009 0.000 0.656 433 A CB -0.290 18.714 19.000 0.007 0.000 0.800 433 A HN 0.492 nan 8.150 nan 0.000 0.453 434 K N -0.261 120.149 120.400 0.016 0.000 2.426 434 K HA 0.050 4.367 4.320 -0.005 0.000 0.193 434 K C 0.808 177.426 176.600 0.030 0.000 1.028 434 K CA -0.081 56.218 56.287 0.019 0.000 1.047 434 K CB -0.185 32.325 32.500 0.017 0.000 0.821 434 K HN 0.518 nan 8.250 nan 0.000 0.513 435 R N 1.171 121.692 120.500 0.035 0.000 2.585 435 R HA 0.192 4.529 4.340 -0.005 0.000 0.275 435 R C -0.723 175.608 176.300 0.051 0.000 1.018 435 R CA 0.371 56.502 56.100 0.053 0.000 1.072 435 R CB 0.287 30.609 30.300 0.036 0.000 0.953 435 R HN 0.098 nan 8.270 nan 0.000 0.419 436 A N 3.142 126.015 122.820 0.089 0.000 2.590 436 A HA 0.277 4.595 4.320 -0.005 0.000 0.294 436 A C -1.400 176.281 177.584 0.162 0.000 1.046 436 A CA -0.795 51.292 52.037 0.083 0.000 0.684 436 A CB 1.226 20.260 19.000 0.057 0.000 1.279 436 A HN 0.443 nan 8.150 nan 0.000 0.415 437 V N 3.957 123.950 119.914 0.132 0.000 2.455 437 V HA 0.393 4.510 4.120 -0.005 0.000 0.273 437 V C -1.288 174.894 176.094 0.147 0.000 1.045 437 V CA -0.543 61.880 62.300 0.205 0.000 0.976 437 V CB 0.581 32.480 31.823 0.125 0.000 0.993 437 V HN 0.862 nan 8.190 nan 0.000 0.475 438 P HA 0.227 nan 4.420 nan 0.000 0.274 438 P C -0.555 176.771 177.300 0.042 0.000 1.256 438 P CA -0.619 62.511 63.100 0.050 0.000 0.795 438 P CB 0.681 32.372 31.700 -0.015 0.000 1.038 439 D N 0.135 120.545 120.400 0.016 0.000 2.390 439 D HA -0.064 4.573 4.640 -0.005 0.000 0.236 439 D C 1.373 177.671 176.300 -0.003 0.000 1.189 439 D CA 0.130 54.138 54.000 0.012 0.000 0.887 439 D CB 0.357 41.158 40.800 0.001 0.000 1.198 439 D HN 0.508 nan 8.370 nan 0.000 0.444 440 E N 1.025 121.225 120.200 -0.000 0.000 2.086 440 E HA -0.205 4.142 4.350 -0.005 0.000 0.200 440 E C -0.926 175.594 176.600 -0.134 0.000 1.012 440 E CA 1.327 57.699 56.400 -0.047 0.000 0.812 440 E CB -0.383 29.320 29.700 0.005 0.000 0.743 440 E HN 0.291 nan 8.360 nan 0.000 0.453 441 P HA -0.164 nan 4.420 nan 0.000 0.215 441 P C 1.411 178.680 177.300 -0.053 0.000 1.153 441 P CA 1.196 64.268 63.100 -0.046 0.000 0.853 441 P CB 0.070 31.758 31.700 -0.020 0.000 0.788 442 V N -0.735 119.145 119.914 -0.057 0.000 2.379 442 V HA -0.176 3.941 4.120 -0.005 0.000 0.245 442 V C 2.360 178.405 176.094 -0.082 0.000 1.044 442 V CA 1.347 63.609 62.300 -0.062 0.000 1.036 442 V CB -1.208 30.575 31.823 -0.067 0.000 0.664 442 V HN 0.045 nan 8.190 nan 0.000 0.453 443 L N 1.177 122.350 121.223 -0.084 0.000 2.017 443 L HA -0.083 4.254 4.340 -0.005 0.000 0.208 443 L C 2.459 179.229 176.870 -0.168 0.000 1.073 443 L CA 2.475 57.291 54.840 -0.039 0.000 0.745 443 L CB -1.006 41.076 42.059 0.038 0.000 0.894 443 L HN 0.207 nan 8.230 nan 0.000 0.432 444 A N -0.597 121.915 122.820 -0.514 0.000 1.908 444 A HA -0.293 4.024 4.320 -0.005 0.000 0.218 444 A C 2.323 179.517 177.584 -0.649 0.000 1.181 444 A CA 1.870 53.313 52.037 -0.989 0.000 0.627 444 A CB -0.839 17.362 19.000 -1.333 0.000 0.818 444 A HN 0.668 nan 8.150 nan 0.000 0.445 445 E N -1.211 118.795 120.200 -0.324 0.000 2.110 445 E HA -0.291 4.056 4.350 -0.005 0.000 0.193 445 E C 1.888 178.418 176.600 -0.117 0.000 0.988 445 E CA 1.527 57.821 56.400 -0.178 0.000 0.804 445 E CB -0.295 29.446 29.700 0.069 0.000 0.745 445 E HN 0.763 nan 8.360 nan 0.000 0.458 446 H N 0.538 119.508 119.070 -0.166 0.000 2.321 446 H HA -0.049 4.503 4.556 -0.006 0.000 0.300 446 H C 1.934 177.211 175.328 -0.084 0.000 1.087 446 H CA 1.986 57.962 56.048 -0.121 0.000 1.319 446 H CB -0.253 29.416 29.762 -0.155 0.000 1.379 446 H HN 0.186 nan 8.280 nan 0.000 0.501 447 L N -0.635 120.493 121.223 -0.158 0.000 2.083 447 L HA -0.130 4.208 4.340 -0.005 0.000 0.209 447 L C 2.517 179.301 176.870 -0.144 0.000 1.083 447 L CA 0.989 55.745 54.840 -0.140 0.000 0.752 447 L CB -0.466 41.643 42.059 0.083 0.000 0.899 447 L HN 0.208 nan 8.230 nan 0.000 0.433 448 V N -0.111 119.672 119.914 -0.218 0.000 2.358 448 V HA -0.222 3.895 4.120 -0.005 0.000 0.246 448 V C 2.617 178.643 176.094 -0.114 0.000 1.047 448 V CA 1.556 63.725 62.300 -0.219 0.000 1.035 448 V CB -0.536 30.994 31.823 -0.489 0.000 0.658 448 V HN 0.404 nan 8.190 nan 0.000 0.452 449 R N -0.120 120.320 120.500 -0.100 0.000 2.115 449 R HA -0.109 4.228 4.340 -0.005 0.000 0.230 449 R C 2.380 178.664 176.300 -0.027 0.000 1.111 449 R CA 1.127 57.222 56.100 -0.008 0.000 0.976 449 R CB -0.216 30.106 30.300 0.036 0.000 0.870 449 R HN 0.493 nan 8.270 nan 0.000 0.445 450 K N 0.140 120.454 120.400 -0.143 0.000 2.103 450 K HA -0.030 4.287 4.320 -0.005 0.000 0.204 450 K C 2.129 178.695 176.600 -0.057 0.000 1.052 450 K CA 1.179 57.376 56.287 -0.149 0.000 0.945 450 K CB -0.052 32.285 32.500 -0.271 0.000 0.722 450 K HN 0.112 nan 8.250 nan 0.000 0.443 451 A N 1.705 124.508 122.820 -0.028 0.000 1.902 451 A HA -0.096 4.221 4.320 -0.005 0.000 0.217 451 A C 2.395 180.028 177.584 0.081 0.000 1.181 451 A CA 1.795 53.857 52.037 0.041 0.000 0.623 451 A CB -0.593 18.425 19.000 0.030 0.000 0.818 451 A HN 0.315 nan 8.150 nan 0.000 0.443 452 A N -0.108 122.745 122.820 0.056 0.000 1.902 452 A HA 0.156 4.473 4.320 -0.005 0.000 0.217 452 A C 2.498 180.146 177.584 0.107 0.000 1.181 452 A CA 2.095 54.203 52.037 0.118 0.000 0.623 452 A CB -0.989 18.086 19.000 0.125 0.000 0.818 452 A HN 1.031 nan 8.150 nan 0.000 0.443 453 A N 0.016 122.820 122.820 -0.026 0.000 1.877 453 A HA -0.089 4.229 4.320 -0.005 0.000 0.216 453 A C 2.117 179.573 177.584 -0.214 0.000 1.186 453 A CA 1.535 53.350 52.037 -0.371 0.000 0.620 453 A CB -0.631 18.173 19.000 -0.327 0.000 0.822 453 A HN 0.495 nan 8.150 nan 0.000 0.443 454 I N -1.705 118.849 120.570 -0.027 0.000 2.208 454 I HA -0.293 3.874 4.170 -0.005 0.000 0.245 454 I C 2.528 178.717 176.117 0.119 0.000 1.097 454 I CA 1.442 62.787 61.300 0.074 0.000 1.363 454 I CB -0.349 37.748 38.000 0.161 0.000 1.051 454 I HN 0.712 nan 8.210 nan 0.000 0.413 455 W N 2.136 123.416 121.300 -0.033 0.000 2.338 455 W HA -0.279 4.376 4.660 -0.009 0.000 0.304 455 W C 2.382 178.870 176.519 -0.052 0.000 1.212 455 W CA 2.116 59.447 57.345 -0.023 0.000 1.264 455 W CB 0.032 29.497 29.460 0.007 0.000 1.142 455 W HN 0.193 nan 8.180 nan 0.000 0.512 456 E N 0.526 120.748 120.200 0.036 0.000 2.112 456 E HA -0.138 4.210 4.350 -0.005 0.000 0.190 456 E C 2.204 178.744 176.600 -0.101 0.000 0.979 456 E CA 1.376 57.746 56.400 -0.050 0.000 0.814 456 E CB -0.835 28.895 29.700 0.050 0.000 0.762 456 E HN 0.309 nan 8.360 nan 0.000 0.460 457 L N 0.580 121.736 121.223 -0.112 0.000 2.418 457 L HA 0.071 4.408 4.340 -0.005 0.000 0.218 457 L C 2.426 179.290 176.870 -0.011 0.000 1.125 457 L CA 0.694 55.541 54.840 0.012 0.000 0.835 457 L CB -0.334 41.725 42.059 -0.000 0.000 0.953 457 L HN 0.258 nan 8.230 nan 0.000 0.454 458 E N 0.920 120.946 120.200 -0.290 0.000 2.049 458 E HA -0.325 4.023 4.350 -0.005 0.000 0.198 458 E C 2.288 178.594 176.600 -0.491 0.000 1.007 458 E CA 1.578 57.509 56.400 -0.781 0.000 0.809 458 E CB 0.094 29.275 29.700 -0.866 0.000 0.749 458 E HN 0.182 nan 8.360 nan 0.000 0.450 459 R N 0.805 121.118 120.500 -0.311 0.000 2.080 459 R HA -0.098 4.239 4.340 -0.005 0.000 0.236 459 R C -0.803 175.450 176.300 -0.079 0.000 1.137 459 R CA 2.331 58.315 56.100 -0.194 0.000 0.943 459 R CB -1.528 28.668 30.300 -0.173 0.000 0.846 459 R HN 0.313 nan 8.270 nan 0.000 0.431 460 P HA -0.137 nan 4.420 nan 0.000 0.218 460 P C 1.155 178.452 177.300 -0.006 0.000 1.149 460 P CA 1.286 64.384 63.100 -0.003 0.000 0.817 460 P CB -0.185 31.528 31.700 0.022 0.000 0.785 461 F N -0.167 119.772 119.950 -0.019 0.000 2.163 461 F HA -0.042 4.481 4.527 -0.007 0.000 0.297 461 F C 2.628 178.468 175.800 0.067 0.000 1.094 461 F CA 1.128 59.174 58.000 0.077 0.000 1.290 461 F CB -1.239 37.909 39.000 0.248 0.000 1.017 461 F HN -0.262 nan 8.300 nan 0.000 0.483 462 L N -0.476 120.845 121.223 0.163 0.000 2.083 462 L HA -0.225 4.112 4.340 -0.005 0.000 0.209 462 L C 2.013 178.904 176.870 0.034 0.000 1.083 462 L CA 1.133 56.029 54.840 0.093 0.000 0.752 462 L CB -0.637 41.407 42.059 -0.025 0.000 0.899 462 L HN 0.059 nan 8.230 nan 0.000 0.433 463 D N -0.215 120.182 120.400 -0.005 0.000 2.117 463 D HA -0.222 4.415 4.640 -0.005 0.000 0.197 463 D C 2.054 178.337 176.300 -0.028 0.000 0.987 463 D CA 1.166 55.151 54.000 -0.024 0.000 0.829 463 D CB 0.030 40.807 40.800 -0.039 0.000 0.961 463 D HN 0.360 nan 8.370 nan 0.000 0.460 464 E N 0.090 120.264 120.200 -0.044 0.000 2.107 464 E HA -0.086 4.261 4.350 -0.005 0.000 0.191 464 E C 2.313 178.895 176.600 -0.030 0.000 0.982 464 E CA 0.242 56.605 56.400 -0.062 0.000 0.809 464 E CB 0.001 29.624 29.700 -0.128 0.000 0.756 464 E HN 0.197 nan 8.360 nan 0.000 0.459 465 L N 0.491 121.721 121.223 0.012 0.000 2.042 465 L HA -0.204 4.134 4.340 -0.005 0.000 0.210 465 L C 2.799 179.672 176.870 0.005 0.000 1.076 465 L CA 1.280 56.139 54.840 0.031 0.000 0.749 465 L CB -0.382 41.734 42.059 0.094 0.000 0.893 465 L HN 0.080 nan 8.230 nan 0.000 0.432 466 R N 0.576 121.079 120.500 0.005 0.000 2.081 466 R HA -0.179 4.158 4.340 -0.005 0.000 0.235 466 R C 2.359 178.642 176.300 -0.028 0.000 1.131 466 R CA 1.559 57.653 56.100 -0.010 0.000 0.960 466 R CB -0.438 29.856 30.300 -0.009 0.000 0.856 466 R HN 0.152 nan 8.270 nan 0.000 0.436 467 R N -0.165 120.317 120.500 -0.030 0.000 2.096 467 R HA -0.060 4.278 4.340 -0.005 0.000 0.235 467 R C 0.769 177.041 176.300 -0.046 0.000 1.127 467 R CA 1.734 57.813 56.100 -0.035 0.000 0.968 467 R CB -0.161 30.119 30.300 -0.033 0.000 0.861 467 R HN 0.259 nan 8.270 nan 0.000 0.440 468 N N 0.939 119.605 118.700 -0.056 0.000 2.461 468 N HA -0.040 4.697 4.740 -0.005 0.000 0.188 468 N C -0.609 174.840 175.510 -0.103 0.000 1.134 468 N CA 0.490 53.490 53.050 -0.083 0.000 0.878 468 N CB 0.340 38.771 38.487 -0.093 0.000 0.972 468 N HN 0.217 nan 8.380 nan 0.000 0.456 469 E N -0.517 119.625 120.200 -0.097 0.000 2.513 469 E HA -0.260 4.087 4.350 -0.005 0.000 0.257 469 E C -0.248 176.297 176.600 -0.092 0.000 1.098 469 E CA 0.275 56.587 56.400 -0.145 0.000 0.752 469 E CB -1.455 28.058 29.700 -0.312 0.000 1.324 469 E HN 0.530 nan 8.360 nan 0.000 0.403 470 Q N -0.598 119.188 119.800 -0.023 0.000 2.171 470 Q HA -0.010 4.327 4.340 -0.005 0.000 0.218 470 Q C 1.367 177.393 176.000 0.045 0.000 0.822 470 Q CA 0.248 56.069 55.803 0.029 0.000 0.987 470 Q CB 0.500 29.247 28.738 0.015 0.000 1.144 470 Q HN 0.368 nan 8.270 nan 0.000 0.494 471 D N 1.123 121.545 120.400 0.036 0.000 2.117 471 D HA -0.216 4.421 4.640 -0.005 0.000 0.197 471 D C 1.521 177.853 176.300 0.053 0.000 0.987 471 D CA 1.013 55.043 54.000 0.051 0.000 0.829 471 D CB -0.098 40.724 40.800 0.036 0.000 0.961 471 D HN 0.182 nan 8.370 nan 0.000 0.460 472 R N -0.243 120.287 120.500 0.050 0.000 2.115 472 R HA 0.014 4.351 4.340 -0.005 0.000 0.226 472 R C 2.485 178.813 176.300 0.048 0.000 1.100 472 R CA 0.314 56.443 56.100 0.048 0.000 0.980 472 R CB -0.399 29.933 30.300 0.053 0.000 0.875 472 R HN 0.147 nan 8.270 nan 0.000 0.445 473 L N 1.235 122.494 121.223 0.060 0.000 2.042 473 L HA -0.166 4.171 4.340 -0.005 0.000 0.210 473 L C 2.014 178.907 176.870 0.039 0.000 1.076 473 L CA 1.536 56.405 54.840 0.048 0.000 0.749 473 L CB -0.495 41.598 42.059 0.055 0.000 0.893 473 L HN 0.133 nan 8.230 nan 0.000 0.432 474 L N -1.559 119.691 121.223 0.046 0.000 2.007 474 L HA -0.084 4.253 4.340 -0.005 0.000 0.205 474 L C 2.273 179.159 176.870 0.025 0.000 1.073 474 L CA 1.807 56.670 54.840 0.038 0.000 0.744 474 L CB -0.631 41.465 42.059 0.062 0.000 0.898 474 L HN 0.059 nan 8.230 nan 0.000 0.435 475 V N -0.473 119.464 119.914 0.038 0.000 2.548 475 V HA -0.167 3.950 4.120 -0.005 0.000 0.249 475 V C 2.180 178.282 176.094 0.014 0.000 1.055 475 V CA 1.876 64.193 62.300 0.029 0.000 1.065 475 V CB -0.620 31.228 31.823 0.041 0.000 0.681 475 V HN 0.503 nan 8.190 nan 0.000 0.462 476 E N -1.145 119.064 120.200 0.015 0.000 2.431 476 E HA 0.125 4.472 4.350 -0.005 0.000 0.200 476 E C 1.558 178.159 176.600 0.001 0.000 0.995 476 E CA 0.173 56.577 56.400 0.007 0.000 0.915 476 E CB 0.670 30.376 29.700 0.010 0.000 0.930 476 E HN 0.432 nan 8.360 nan 0.000 0.496 477 L N 0.095 121.321 121.223 0.005 0.000 2.777 477 L HA 0.124 4.461 4.340 -0.005 0.000 0.172 477 L C 1.751 178.622 176.870 0.000 0.000 1.179 477 L CA 0.576 55.417 54.840 0.001 0.000 0.859 477 L CB 0.237 42.299 42.059 0.005 0.000 1.269 477 L HN -0.217 nan 8.230 nan 0.000 0.511 478 E N 0.158 120.364 120.200 0.010 0.000 2.051 478 E HA -0.243 4.104 4.350 -0.005 0.000 0.192 478 E C 2.017 178.603 176.600 -0.023 0.000 0.991 478 E CA 1.569 57.974 56.400 0.008 0.000 0.799 478 E CB -0.245 29.477 29.700 0.036 0.000 0.748 478 E HN 0.609 nan 8.360 nan 0.000 0.449 479 Q N -0.290 119.491 119.800 -0.032 0.000 2.079 479 Q HA -0.090 4.247 4.340 -0.005 0.000 0.200 479 Q C -0.565 175.409 176.000 -0.044 0.000 0.974 479 Q CA 1.333 57.105 55.803 -0.052 0.000 0.840 479 Q CB -0.797 27.910 28.738 -0.052 0.000 0.898 479 Q HN 0.242 nan 8.270 nan 0.000 0.430 480 P HA -0.146 nan 4.420 nan 0.000 0.219 480 P C 1.244 178.524 177.300 -0.032 0.000 1.150 480 P CA 0.813 63.894 63.100 -0.031 0.000 0.814 480 P CB 0.021 31.707 31.700 -0.023 0.000 0.787 481 L N -0.509 120.696 121.223 -0.030 0.000 2.083 481 L HA -0.103 4.234 4.340 -0.005 0.000 0.209 481 L C 2.389 179.238 176.870 -0.035 0.000 1.083 481 L CA 1.873 56.693 54.840 -0.033 0.000 0.752 481 L CB -1.482 40.558 42.059 -0.031 0.000 0.899 481 L HN -0.095 nan 8.230 nan 0.000 0.433 482 S N -1.272 114.405 115.700 -0.039 0.000 2.370 482 S HA -0.219 4.249 4.470 -0.005 0.000 0.226 482 S C 2.098 176.681 174.600 -0.029 0.000 1.033 482 S CA 1.812 59.988 58.200 -0.040 0.000 1.011 482 S CB -0.419 62.740 63.200 -0.069 0.000 0.852 482 S HN 0.671 nan 8.310 nan 0.000 0.457 483 S N 1.049 116.725 115.700 -0.039 0.000 2.383 483 S HA 0.075 4.542 4.470 -0.005 0.000 0.227 483 S C 1.732 176.324 174.600 -0.014 0.000 1.026 483 S CA 1.288 59.466 58.200 -0.037 0.000 0.981 483 S CB -0.382 62.789 63.200 -0.048 0.000 0.818 483 S HN 0.548 nan 8.310 nan 0.000 0.472 484 I N 1.254 121.817 120.570 -0.013 0.000 2.252 484 I HA -0.139 4.029 4.170 -0.005 0.000 0.245 484 I C 1.958 178.088 176.117 0.022 0.000 1.102 484 I CA 0.988 62.286 61.300 -0.003 0.000 1.385 484 I CB -0.326 37.661 38.000 -0.021 0.000 1.064 484 I HN 0.232 nan 8.210 nan 0.000 0.414 485 L N 0.501 121.737 121.223 0.020 0.000 2.093 485 L HA -0.177 4.160 4.340 -0.005 0.000 0.208 485 L C 2.876 179.865 176.870 0.198 0.000 1.085 485 L CA 1.183 56.075 54.840 0.086 0.000 0.755 485 L CB -0.738 41.367 42.059 0.078 0.000 0.904 485 L HN 0.232 nan 8.230 nan 0.000 0.435 486 A N 0.209 123.107 122.820 0.132 0.000 1.908 486 A HA -0.235 4.082 4.320 -0.005 0.000 0.218 486 A C 2.165 179.863 177.584 0.189 0.000 1.181 486 A CA 1.793 53.919 52.037 0.148 0.000 0.627 486 A CB -0.439 18.577 19.000 0.028 0.000 0.818 486 A HN 0.468 nan 8.150 nan 0.000 0.445 487 E N -0.647 119.626 120.200 0.121 0.000 2.077 487 E HA -0.194 4.153 4.350 -0.005 0.000 0.193 487 E C 2.120 178.817 176.600 0.162 0.000 0.989 487 E CA 1.525 58.001 56.400 0.126 0.000 0.800 487 E CB -0.311 29.420 29.700 0.052 0.000 0.746 487 E HN 0.679 nan 8.360 nan 0.000 0.452 488 M N 0.648 120.347 119.600 0.165 0.000 2.086 488 M HA -0.196 4.282 4.480 -0.005 0.000 0.261 488 M C 2.131 178.591 176.300 0.267 0.000 1.067 488 M CA 1.601 57.015 55.300 0.190 0.000 1.116 488 M CB -0.251 32.482 32.600 0.222 0.000 1.348 488 M HN 0.053 nan 8.290 nan 0.000 0.407 489 E N -0.117 120.317 120.200 0.390 0.000 2.051 489 E HA -0.212 4.135 4.350 -0.005 0.000 0.192 489 E C 1.832 178.758 176.600 0.542 0.000 0.991 489 E CA 1.381 58.068 56.400 0.478 0.000 0.799 489 E CB -0.296 29.784 29.700 0.634 0.000 0.748 489 E HN 0.394 nan 8.360 nan 0.000 0.449 490 F N 1.533 121.679 119.950 0.327 0.000 2.134 490 F HA -0.146 4.378 4.527 -0.004 0.000 0.299 490 F C 2.167 177.992 175.800 0.041 0.000 1.097 490 F CA 1.280 59.351 58.000 0.120 0.000 1.264 490 F CB -0.420 38.533 39.000 -0.078 0.000 1.001 490 F HN -0.058 nan 8.300 nan 0.000 0.479 491 A N 0.290 123.077 122.820 -0.055 0.000 1.877 491 A HA 0.256 4.573 4.320 -0.005 0.000 0.216 491 A C 1.719 179.191 177.584 -0.186 0.000 1.186 491 A CA 1.464 53.364 52.037 -0.229 0.000 0.620 491 A CB -1.564 17.302 19.000 -0.223 0.000 0.822 491 A HN 1.078 nan 8.150 nan 0.000 0.443 492 G N -2.752 105.977 108.800 -0.119 0.000 2.828 492 G HA2 0.039 3.996 3.960 -0.005 0.000 0.463 492 G HA3 0.039 3.996 3.960 -0.005 0.000 0.463 492 G C -0.521 174.250 174.900 -0.215 0.000 1.394 492 G CA -0.354 44.519 45.100 -0.378 0.000 0.862 492 G HN 1.200 nan 8.290 nan 0.000 0.540 493 V N 0.642 120.434 119.914 -0.204 0.000 2.487 493 V HA 0.595 4.713 4.120 -0.005 0.000 0.298 493 V C 0.419 176.475 176.094 -0.063 0.000 1.028 493 V CA -0.730 61.544 62.300 -0.045 0.000 0.860 493 V CB 1.695 33.575 31.823 0.095 0.000 0.991 493 V HN 1.026 nan 8.190 nan 0.000 0.427 494 K N 3.771 124.147 120.400 -0.041 0.000 2.350 494 K HA 0.446 4.763 4.320 -0.005 0.000 0.279 494 K C -0.913 175.642 176.600 -0.074 0.000 1.027 494 K CA 0.198 56.446 56.287 -0.065 0.000 0.969 494 K CB 0.980 33.449 32.500 -0.052 0.000 0.954 494 K HN 0.443 nan 8.250 nan 0.000 0.474 495 V N 3.869 123.701 119.914 -0.136 0.000 2.555 495 V HA 0.183 4.301 4.120 -0.005 0.000 0.302 495 V C -0.646 175.357 176.094 -0.151 0.000 1.038 495 V CA -0.941 61.222 62.300 -0.229 0.000 0.887 495 V CB 1.732 33.370 31.823 -0.308 0.000 0.991 495 V HN 0.817 nan 8.190 nan 0.000 0.434 496 D N 3.112 123.426 120.400 -0.144 0.000 2.483 496 D HA 0.081 4.718 4.640 -0.005 0.000 0.220 496 D C 1.517 177.758 176.300 -0.098 0.000 1.173 496 D CA 0.303 54.251 54.000 -0.088 0.000 0.964 496 D CB 1.177 41.943 40.800 -0.057 0.000 1.046 496 D HN 0.769 nan 8.370 nan 0.000 0.517 497 T N 1.065 115.567 114.554 -0.088 0.000 2.788 497 T HA -0.194 4.154 4.350 -0.005 0.000 0.268 497 T C 1.748 176.415 174.700 -0.056 0.000 1.044 497 T CA 0.805 62.859 62.100 -0.076 0.000 1.139 497 T CB 0.087 68.918 68.868 -0.062 0.000 0.867 497 T HN 0.065 nan 8.240 nan 0.000 0.454 498 K N 0.933 121.305 120.400 -0.046 0.000 2.057 498 K HA 0.102 4.420 4.320 -0.005 0.000 0.207 498 K C 2.487 179.065 176.600 -0.038 0.000 1.049 498 K CA 1.082 57.347 56.287 -0.036 0.000 0.931 498 K CB -0.416 32.067 32.500 -0.030 0.000 0.714 498 K HN 0.228 nan 8.250 nan 0.000 0.440 499 R N 0.746 121.219 120.500 -0.045 0.000 2.073 499 R HA 0.016 4.353 4.340 -0.005 0.000 0.234 499 R C 1.991 178.263 176.300 -0.046 0.000 1.134 499 R CA 1.427 57.499 56.100 -0.046 0.000 0.952 499 R CB -0.775 29.495 30.300 -0.050 0.000 0.850 499 R HN 0.179 nan 8.270 nan 0.000 0.433 500 L N 0.315 121.506 121.223 -0.054 0.000 2.012 500 L HA -0.198 4.139 4.340 -0.005 0.000 0.210 500 L C 2.264 179.115 176.870 -0.032 0.000 1.073 500 L CA 1.934 56.747 54.840 -0.045 0.000 0.748 500 L CB -0.512 41.512 42.059 -0.059 0.000 0.891 500 L HN 0.359 nan 8.230 nan 0.000 0.431 501 E N -0.471 119.709 120.200 -0.034 0.000 2.153 501 E HA -0.252 4.096 4.350 -0.005 0.000 0.194 501 E C 2.194 178.780 176.600 -0.024 0.000 0.988 501 E CA 0.967 57.352 56.400 -0.026 0.000 0.811 501 E CB -0.080 29.605 29.700 -0.026 0.000 0.746 501 E HN 0.588 nan 8.360 nan 0.000 0.466 502 Q N 0.306 120.090 119.800 -0.027 0.000 2.020 502 Q HA -0.132 4.205 4.340 -0.005 0.000 0.202 502 Q C 2.284 178.270 176.000 -0.024 0.000 0.982 502 Q CA 1.468 57.257 55.803 -0.025 0.000 0.838 502 Q CB -0.137 28.584 28.738 -0.028 0.000 0.899 502 Q HN 0.333 nan 8.270 nan 0.000 0.423 503 M N 0.002 119.586 119.600 -0.027 0.000 2.108 503 M HA -0.122 4.356 4.480 -0.005 0.000 0.261 503 M C 2.281 178.568 176.300 -0.021 0.000 1.066 503 M CA 1.579 56.864 55.300 -0.025 0.000 1.107 503 M CB -0.681 31.904 32.600 -0.025 0.000 1.356 503 M HN 0.350 nan 8.290 nan 0.000 0.406 504 G N 0.906 109.694 108.800 -0.019 0.000 2.440 504 G HA2 -0.213 3.744 3.960 -0.005 0.000 0.218 504 G HA3 -0.213 3.744 3.960 -0.005 0.000 0.218 504 G C 1.667 176.555 174.900 -0.020 0.000 1.154 504 G CA 0.880 45.969 45.100 -0.018 0.000 0.767 504 G HN 0.425 nan 8.290 nan 0.000 0.552 505 K N 0.269 120.658 120.400 -0.018 0.000 2.057 505 K HA -0.034 4.283 4.320 -0.005 0.000 0.206 505 K C 2.430 179.021 176.600 -0.015 0.000 1.050 505 K CA 1.198 57.476 56.287 -0.015 0.000 0.935 505 K CB -0.146 32.346 32.500 -0.013 0.000 0.715 505 K HN 0.382 nan 8.250 nan 0.000 0.439 506 E N 0.949 121.139 120.200 -0.016 0.000 2.110 506 E HA -0.143 4.204 4.350 -0.005 0.000 0.193 506 E C 2.078 178.668 176.600 -0.018 0.000 0.988 506 E CA 0.765 57.156 56.400 -0.014 0.000 0.804 506 E CB -0.030 29.661 29.700 -0.015 0.000 0.745 506 E HN 0.223 nan 8.360 nan 0.000 0.458 507 L N 0.449 121.656 121.223 -0.027 0.000 2.056 507 L HA -0.153 4.184 4.340 -0.005 0.000 0.207 507 L C 2.593 179.436 176.870 -0.046 0.000 1.078 507 L CA 0.898 55.712 54.840 -0.044 0.000 0.749 507 L CB -0.434 41.596 42.059 -0.050 0.000 0.901 507 L HN 0.147 nan 8.230 nan 0.000 0.433 508 A N 0.019 122.819 122.820 -0.033 0.000 1.908 508 A HA -0.242 4.075 4.320 -0.005 0.000 0.218 508 A C 2.126 179.702 177.584 -0.013 0.000 1.181 508 A CA 1.829 53.851 52.037 -0.024 0.000 0.627 508 A CB -0.436 18.554 19.000 -0.016 0.000 0.818 508 A HN 0.487 nan 8.150 nan 0.000 0.445 509 E N -0.485 119.709 120.200 -0.009 0.000 2.047 509 E HA -0.222 4.125 4.350 -0.005 0.000 0.191 509 E C 2.308 178.910 176.600 0.004 0.000 0.987 509 E CA 1.365 57.766 56.400 0.000 0.000 0.799 509 E CB -0.247 29.454 29.700 0.002 0.000 0.752 509 E HN 0.740 nan 8.360 nan 0.000 0.449 510 Q N 0.497 120.295 119.800 -0.003 0.000 2.124 510 Q HA -0.121 4.217 4.340 -0.005 0.000 0.202 510 Q C 2.369 178.362 176.000 -0.012 0.000 0.977 510 Q CA 0.890 56.695 55.803 0.003 0.000 0.850 510 Q CB -0.056 28.679 28.738 -0.005 0.000 0.901 510 Q HN 0.298 nan 8.270 nan 0.000 0.429 511 L N -0.229 120.973 121.223 -0.035 0.000 2.046 511 L HA -0.134 4.203 4.340 -0.005 0.000 0.208 511 L C 2.409 179.307 176.870 0.047 0.000 1.077 511 L CA 1.181 56.012 54.840 -0.015 0.000 0.747 511 L CB -0.788 41.236 42.059 -0.058 0.000 0.896 511 L HN 0.346 nan 8.230 nan 0.000 0.432 512 G N -0.979 107.836 108.800 0.026 0.000 2.440 512 G HA2 -0.255 3.702 3.960 -0.005 0.000 0.218 512 G HA3 -0.255 3.702 3.960 -0.005 0.000 0.218 512 G C 1.560 176.468 174.900 0.012 0.000 1.154 512 G CA 1.355 46.471 45.100 0.026 0.000 0.767 512 G HN 0.283 nan 8.290 nan 0.000 0.552 513 T N 0.199 114.764 114.554 0.018 0.000 2.708 513 T HA -0.126 4.221 4.350 -0.005 0.000 0.266 513 T C 2.368 177.074 174.700 0.011 0.000 1.037 513 T CA 1.294 63.406 62.100 0.019 0.000 1.146 513 T CB -0.421 68.466 68.868 0.033 0.000 0.865 513 T HN 0.077 nan 8.240 nan 0.000 0.435 514 V N 1.189 121.123 119.914 0.034 0.000 2.427 514 V HA -0.118 3.999 4.120 -0.005 0.000 0.248 514 V C 2.444 178.482 176.094 -0.094 0.000 1.051 514 V CA 2.180 64.504 62.300 0.040 0.000 1.048 514 V CB -0.382 31.519 31.823 0.130 0.000 0.666 514 V HN 0.546 nan 8.190 nan 0.000 0.456 515 E N -0.990 119.128 120.200 -0.138 0.000 2.077 515 E HA -0.273 4.074 4.350 -0.005 0.000 0.193 515 E C 2.234 178.445 176.600 -0.650 0.000 0.989 515 E CA 1.500 57.614 56.400 -0.476 0.000 0.800 515 E CB -0.076 29.455 29.700 -0.281 0.000 0.746 515 E HN 0.601 nan 8.360 nan 0.000 0.452 516 Q N 0.225 119.872 119.800 -0.255 0.000 2.119 516 Q HA -0.157 4.180 4.340 -0.005 0.000 0.201 516 Q C 2.205 178.163 176.000 -0.070 0.000 0.972 516 Q CA 1.155 56.906 55.803 -0.087 0.000 0.847 516 Q CB -0.378 28.372 28.738 0.021 0.000 0.903 516 Q HN 0.100 nan 8.270 nan 0.000 0.433 517 R N 1.076 121.529 120.500 -0.078 0.000 2.096 517 R HA -0.031 4.306 4.340 -0.005 0.000 0.235 517 R C 2.098 178.377 176.300 -0.036 0.000 1.127 517 R CA 1.110 57.194 56.100 -0.026 0.000 0.968 517 R CB -0.624 29.673 30.300 -0.006 0.000 0.861 517 R HN 0.261 nan 8.270 nan 0.000 0.440 518 I N -0.303 120.174 120.570 -0.155 0.000 2.179 518 I HA -0.294 3.873 4.170 -0.005 0.000 0.242 518 I C 1.612 177.748 176.117 0.033 0.000 1.088 518 I CA 1.274 62.494 61.300 -0.133 0.000 1.357 518 I CB -0.380 37.402 38.000 -0.364 0.000 1.051 518 I HN 0.157 nan 8.210 nan 0.000 0.409 519 Y N 0.732 121.048 120.300 0.027 0.000 2.293 519 Y HA -0.210 4.337 4.550 -0.005 0.000 0.291 519 Y C 2.556 178.500 175.900 0.073 0.000 1.137 519 Y CA 0.935 59.084 58.100 0.081 0.000 1.202 519 Y CB -0.917 37.553 38.460 0.016 0.000 0.990 519 Y HN 0.273 nan 8.280 nan 0.000 0.537 520 E N 0.425 120.739 120.200 0.190 0.000 2.051 520 E HA -0.174 4.173 4.350 -0.005 0.000 0.192 520 E C 1.951 178.620 176.600 0.115 0.000 0.991 520 E CA 1.175 57.650 56.400 0.125 0.000 0.799 520 E CB -0.283 29.467 29.700 0.083 0.000 0.748 520 E HN 0.436 nan 8.360 nan 0.000 0.449 521 L N 0.121 121.415 121.223 0.119 0.000 2.217 521 L HA -0.050 4.287 4.340 -0.005 0.000 0.211 521 L C 2.472 179.418 176.870 0.126 0.000 1.107 521 L CA 0.786 55.715 54.840 0.148 0.000 0.783 521 L CB -0.201 41.964 42.059 0.177 0.000 0.919 521 L HN 0.187 nan 8.230 nan 0.000 0.442 522 A N -0.492 122.397 122.820 0.114 0.000 2.072 522 A HA 0.239 4.556 4.320 -0.005 0.000 0.216 522 A C 1.782 179.386 177.584 0.034 0.000 1.156 522 A CA 0.835 52.897 52.037 0.042 0.000 0.701 522 A CB -0.318 18.768 19.000 0.145 0.000 0.816 522 A HN 0.468 nan 8.150 nan 0.000 0.458 523 G N -0.796 108.055 108.800 0.086 0.000 2.160 523 G HA2 -0.162 3.796 3.960 -0.005 0.000 0.244 523 G HA3 -0.162 3.796 3.960 -0.005 0.000 0.244 523 G C -0.125 174.805 174.900 0.050 0.000 1.022 523 G CA 0.797 45.931 45.100 0.057 0.000 0.741 523 G HN 1.729 nan 8.290 nan 0.000 0.508 524 Q N -2.085 117.773 119.800 0.098 0.000 2.939 524 Q HA 0.406 4.744 4.340 -0.005 0.000 0.274 524 Q C -1.370 174.700 176.000 0.117 0.000 0.941 524 Q CA -0.970 54.871 55.803 0.062 0.000 0.824 524 Q CB 0.421 29.172 28.738 0.021 0.000 1.779 524 Q HN 0.281 nan 8.270 nan 0.000 0.470 525 E N 1.088 121.215 120.200 -0.123 0.000 2.277 525 E HA 0.686 5.033 4.350 -0.005 0.000 0.274 525 E C -0.832 175.725 176.600 -0.072 0.000 1.022 525 E CA -0.326 55.728 56.400 -0.576 0.000 0.853 525 E CB 0.911 30.101 29.700 -0.849 0.000 1.086 525 E HN 0.435 nan 8.360 nan 0.000 0.397 526 F N -0.808 118.987 119.950 -0.258 0.000 2.773 526 F HA 0.313 4.837 4.527 -0.005 0.000 0.314 526 F C -1.027 174.815 175.800 0.072 0.000 1.160 526 F CA -1.452 56.521 58.000 -0.044 0.000 0.920 526 F CB 0.691 39.694 39.000 0.006 0.000 1.323 526 F HN 0.144 nan 8.300 nan 0.000 0.457 527 N N 2.165 120.898 118.700 0.054 0.000 2.402 527 N HA 0.224 4.961 4.740 -0.005 0.000 0.259 527 N C 0.908 176.376 175.510 -0.070 0.000 1.167 527 N CA 0.056 53.090 53.050 -0.027 0.000 0.949 527 N CB 0.367 38.891 38.487 0.062 0.000 1.212 527 N HN 0.797 nan 8.380 nan 0.000 0.493 528 I N 2.593 122.945 120.570 -0.363 0.000 2.335 528 I HA -0.265 3.902 4.170 -0.005 0.000 0.251 528 I C 1.104 177.244 176.117 0.038 0.000 1.129 528 I CA 1.027 62.139 61.300 -0.312 0.000 1.402 528 I CB -0.172 37.398 38.000 -0.718 0.000 1.069 528 I HN 0.498 nan 8.210 nan 0.000 0.424 529 N N -0.016 118.739 118.700 0.092 0.000 2.449 529 N HA -0.027 4.710 4.740 -0.005 0.000 0.191 529 N C 0.357 175.935 175.510 0.113 0.000 1.161 529 N CA -0.110 53.022 53.050 0.137 0.000 0.863 529 N CB 0.223 38.787 38.487 0.129 0.000 0.980 529 N HN 0.049 nan 8.380 nan 0.000 0.458 530 S N 0.647 116.423 115.700 0.127 0.000 2.474 530 S HA 0.309 4.776 4.470 -0.005 0.000 0.320 530 S C -1.865 172.827 174.600 0.153 0.000 1.067 530 S CA -2.024 56.253 58.200 0.128 0.000 1.127 530 S CB 0.885 64.162 63.200 0.129 0.000 0.971 530 S HN -0.065 nan 8.310 nan 0.000 0.472 531 P HA -0.147 nan 4.420 nan 0.000 0.217 531 P C 0.965 178.367 177.300 0.170 0.000 1.148 531 P CA 1.333 64.526 63.100 0.155 0.000 0.834 531 P CB 0.187 31.964 31.700 0.128 0.000 0.783 532 K N -0.589 119.892 120.400 0.135 0.000 2.025 532 K HA -0.136 4.181 4.320 -0.005 0.000 0.207 532 K C 2.304 178.986 176.600 0.137 0.000 1.049 532 K CA 1.302 57.665 56.287 0.127 0.000 0.933 532 K CB -0.376 32.173 32.500 0.082 0.000 0.714 532 K HN 0.237 nan 8.250 nan 0.000 0.438 533 Q N 0.522 120.407 119.800 0.142 0.000 2.119 533 Q HA -0.135 4.203 4.340 -0.005 0.000 0.201 533 Q C 2.191 178.249 176.000 0.098 0.000 0.972 533 Q CA 0.924 56.814 55.803 0.145 0.000 0.847 533 Q CB -0.083 28.800 28.738 0.241 0.000 0.903 533 Q HN 0.166 nan 8.270 nan 0.000 0.433 534 L N 0.391 121.729 121.223 0.191 0.000 2.056 534 L HA -0.011 4.326 4.340 -0.005 0.000 0.207 534 L C 2.094 178.942 176.870 -0.037 0.000 1.078 534 L CA 2.145 57.061 54.840 0.126 0.000 0.749 534 L CB -0.972 41.226 42.059 0.231 0.000 0.901 534 L HN 0.145 nan 8.230 nan 0.000 0.433 535 G N -0.901 107.972 108.800 0.123 0.000 2.442 535 G HA2 -0.219 3.738 3.960 -0.005 0.000 0.219 535 G HA3 -0.219 3.738 3.960 -0.005 0.000 0.219 535 G C 1.510 176.489 174.900 0.133 0.000 1.141 535 G CA 1.168 46.434 45.100 0.277 0.000 0.763 535 G HN 0.349 nan 8.290 nan 0.000 0.554 536 V N 1.424 121.381 119.914 0.071 0.000 2.343 536 V HA -0.136 3.982 4.120 -0.005 0.000 0.247 536 V C 2.794 178.783 176.094 -0.175 0.000 1.051 536 V CA 1.116 63.414 62.300 -0.004 0.000 1.036 536 V CB -0.333 31.482 31.823 -0.013 0.000 0.654 536 V HN 0.269 nan 8.190 nan 0.000 0.451 537 I N -0.227 120.145 120.570 -0.329 0.000 2.179 537 I HA -0.213 3.954 4.170 -0.005 0.000 0.242 537 I C 2.349 178.208 176.117 -0.432 0.000 1.088 537 I CA 1.894 62.916 61.300 -0.464 0.000 1.357 537 I CB -1.013 36.494 38.000 -0.823 0.000 1.051 537 I HN 0.276 nan 8.210 nan 0.000 0.409 538 L N -0.707 120.199 121.223 -0.529 0.000 2.023 538 L HA -0.159 4.178 4.340 -0.005 0.000 0.205 538 L C 2.358 178.783 176.870 -0.743 0.000 1.073 538 L CA 1.362 55.764 54.840 -0.731 0.000 0.745 538 L CB -0.652 40.751 42.059 -1.094 0.000 0.900 538 L HN 0.083 nan 8.230 nan 0.000 0.435 539 F N -0.694 119.087 119.950 -0.282 0.000 2.754 539 F HA 0.073 4.598 4.527 -0.005 0.000 0.297 539 F C 2.167 177.794 175.800 -0.288 0.000 1.122 539 F CA 0.214 57.988 58.000 -0.377 0.000 1.400 539 F CB -0.165 38.381 39.000 -0.756 0.000 1.117 539 F HN 0.047 nan 8.300 nan 0.000 0.587 540 E N 0.014 120.152 120.200 -0.103 0.000 2.290 540 E HA 0.002 4.349 4.350 -0.005 0.000 0.195 540 E C 1.859 178.404 176.600 -0.091 0.000 0.938 540 E CA 0.002 56.363 56.400 -0.065 0.000 1.018 540 E CB 0.061 29.747 29.700 -0.024 0.000 1.042 540 E HN 0.102 nan 8.360 nan 0.000 0.483 541 K N 1.086 121.408 120.400 -0.130 0.000 2.057 541 K HA -0.035 4.282 4.320 -0.005 0.000 0.206 541 K C 1.866 178.387 176.600 -0.131 0.000 1.050 541 K CA 0.981 57.191 56.287 -0.127 0.000 0.935 541 K CB 0.134 32.537 32.500 -0.162 0.000 0.715 541 K HN 0.052 nan 8.250 nan 0.000 0.439 542 L N 0.295 121.405 121.223 -0.189 0.000 2.585 542 L HA 0.073 4.410 4.340 -0.005 0.000 0.226 542 L C 0.214 177.012 176.870 -0.120 0.000 1.113 542 L CA 0.004 54.736 54.840 -0.179 0.000 0.876 542 L CB 0.254 42.112 42.059 -0.334 0.000 1.072 542 L HN 0.258 nan 8.230 nan 0.000 0.468 543 Q N 0.055 119.783 119.800 -0.119 0.000 2.481 543 Q HA -0.186 4.151 4.340 -0.005 0.000 0.258 543 Q C 0.007 175.948 176.000 -0.099 0.000 0.961 543 Q CA 0.817 56.570 55.803 -0.084 0.000 1.121 543 Q CB -2.161 26.544 28.738 -0.056 0.000 1.503 543 Q HN 0.475 nan 8.270 nan 0.000 0.544 544 L N 2.197 123.344 121.223 -0.126 0.000 2.461 544 L HA 0.170 4.508 4.340 -0.005 0.000 0.272 544 L C -1.227 175.642 176.870 -0.001 0.000 1.197 544 L CA -1.247 53.511 54.840 -0.136 0.000 0.836 544 L CB -0.223 41.736 42.059 -0.168 0.000 1.105 544 L HN -0.097 nan 8.230 nan 0.000 0.477 545 P HA 0.054 nan 4.420 nan 0.000 0.271 545 P C -0.723 176.557 177.300 -0.034 0.000 1.216 545 P CA -0.269 62.767 63.100 -0.106 0.000 0.776 545 P CB 1.107 32.684 31.700 -0.205 0.000 0.881 546 V N 5.135 124.939 119.914 -0.183 0.000 2.353 546 V HA 0.064 4.181 4.120 -0.005 0.000 0.264 546 V C 1.684 177.683 176.094 -0.158 0.000 1.049 546 V CA 0.120 62.198 62.300 -0.370 0.000 0.896 546 V CB 0.148 31.715 31.823 -0.426 0.000 1.025 546 V HN 0.479 nan 8.190 nan 0.000 0.475 547 L N 2.814 123.983 121.223 -0.090 0.000 2.354 547 L HA 0.298 4.635 4.340 -0.005 0.000 0.212 547 L C 0.876 177.738 176.870 -0.013 0.000 1.091 547 L CA 0.536 55.366 54.840 -0.017 0.000 0.828 547 L CB 0.042 42.125 42.059 0.040 0.000 0.973 547 L HN 0.485 nan 8.230 nan 0.000 0.461 548 K N 0.546 120.928 120.400 -0.030 0.000 2.523 548 K HA 0.462 4.779 4.320 -0.005 0.000 0.257 548 K C -1.390 175.198 176.600 -0.021 0.000 0.932 548 K CA -0.497 55.787 56.287 -0.006 0.000 0.812 548 K CB 1.892 34.409 32.500 0.030 0.000 1.326 548 K HN -0.193 nan 8.250 nan 0.000 0.433 549 K N 0.931 121.325 120.400 -0.011 0.000 2.295 549 K HA 0.611 4.928 4.320 -0.005 0.000 0.239 549 K C -0.755 175.837 176.600 -0.012 0.000 0.991 549 K CA -1.012 55.263 56.287 -0.020 0.000 0.845 549 K CB 1.919 34.398 32.500 -0.036 0.000 1.197 549 K HN 0.844 nan 8.250 nan 0.000 0.441 550 T N -2.539 111.998 114.554 -0.027 0.000 2.907 550 T HA 0.312 4.659 4.350 -0.005 0.000 0.290 550 T C 0.786 175.463 174.700 -0.039 0.000 1.066 550 T CA -0.981 61.108 62.100 -0.017 0.000 1.012 550 T CB 1.557 70.427 68.868 0.002 0.000 1.184 550 T HN 0.473 nan 8.240 nan 0.000 0.522 551 K N 0.294 120.677 120.400 -0.028 0.000 2.059 551 K HA -0.164 4.154 4.320 -0.005 0.000 0.212 551 K C 2.262 178.832 176.600 -0.050 0.000 1.050 551 K CA 2.406 58.673 56.287 -0.034 0.000 0.927 551 K CB -0.735 31.752 32.500 -0.022 0.000 0.714 551 K HN 0.662 nan 8.250 nan 0.000 0.447 552 T N -0.558 113.968 114.554 -0.047 0.000 2.732 552 T HA 0.014 4.362 4.350 -0.005 0.000 0.261 552 T C 1.166 175.794 174.700 -0.118 0.000 1.040 552 T CA 1.202 63.265 62.100 -0.061 0.000 1.145 552 T CB 0.046 68.894 68.868 -0.033 0.000 0.866 552 T HN 0.533 nan 8.240 nan 0.000 0.427 553 G N -0.748 107.967 108.800 -0.142 0.000 2.795 553 G HA2 0.453 4.410 3.960 -0.005 0.000 0.127 553 G HA3 0.453 4.410 3.960 -0.005 0.000 0.127 553 G C -1.634 173.100 174.900 -0.276 0.000 1.203 553 G CA -0.885 44.027 45.100 -0.313 0.000 1.145 553 G HN 0.190 nan 8.290 nan 0.000 0.580 554 Y N 1.220 121.499 120.300 -0.035 0.000 2.319 554 Y HA 0.626 5.173 4.550 -0.004 0.000 0.328 554 Y C 1.066 176.976 175.900 0.016 0.000 1.133 554 Y CA -0.501 57.526 58.100 -0.121 0.000 1.265 554 Y CB 1.502 39.817 38.460 -0.241 0.000 1.218 554 Y HN 0.304 nan 8.280 nan 0.000 0.508 555 S N 1.187 116.970 115.700 0.140 0.000 2.548 555 S HA 0.283 4.750 4.470 -0.005 0.000 0.277 555 S C 0.625 175.383 174.600 0.264 0.000 1.315 555 S CA -0.112 58.181 58.200 0.156 0.000 1.050 555 S CB 0.118 63.374 63.200 0.095 0.000 0.918 555 S HN 0.837 nan 8.310 nan 0.000 0.497 556 T N 0.445 115.140 114.554 0.234 0.000 3.288 556 T HA 0.292 4.639 4.350 -0.005 0.000 0.293 556 T C 0.368 175.164 174.700 0.160 0.000 1.008 556 T CA -0.180 62.061 62.100 0.235 0.000 0.929 556 T CB -0.594 68.405 68.868 0.219 0.000 1.152 556 T HN 0.627 nan 8.240 nan 0.000 0.517 557 S N 0.753 116.535 115.700 0.136 0.000 2.573 557 S HA 0.567 5.034 4.470 -0.005 0.000 0.277 557 S C 1.931 176.591 174.600 0.100 0.000 1.346 557 S CA -0.217 58.045 58.200 0.104 0.000 1.034 557 S CB 0.884 64.136 63.200 0.087 0.000 0.879 557 S HN 0.554 nan 8.310 nan 0.000 0.528 558 A N 1.358 124.229 122.820 0.084 0.000 1.958 558 A HA -0.214 4.103 4.320 -0.005 0.000 0.221 558 A C 1.818 179.446 177.584 0.073 0.000 1.178 558 A CA 2.306 54.389 52.037 0.077 0.000 0.642 558 A CB -1.475 17.563 19.000 0.063 0.000 0.816 558 A HN 1.020 nan 8.150 nan 0.000 0.453 559 D N -0.814 119.627 120.400 0.068 0.000 2.123 559 D HA -0.119 4.518 4.640 -0.005 0.000 0.196 559 D C 1.748 178.095 176.300 0.079 0.000 0.992 559 D CA 1.589 55.627 54.000 0.063 0.000 0.833 559 D CB -0.065 40.769 40.800 0.056 0.000 0.954 559 D HN 0.172 nan 8.370 nan 0.000 0.455 560 V N 0.353 120.325 119.914 0.097 0.000 2.379 560 V HA -0.168 3.949 4.120 -0.005 0.000 0.245 560 V C 2.580 178.755 176.094 0.136 0.000 1.044 560 V CA 1.077 63.450 62.300 0.121 0.000 1.036 560 V CB -0.450 31.462 31.823 0.149 0.000 0.664 560 V HN 0.322 nan 8.190 nan 0.000 0.453 561 L N -0.415 120.882 121.223 0.125 0.000 2.046 561 L HA -0.205 4.132 4.340 -0.005 0.000 0.208 561 L C 2.613 179.543 176.870 0.100 0.000 1.077 561 L CA 1.514 56.422 54.840 0.113 0.000 0.747 561 L CB -0.574 41.544 42.059 0.098 0.000 0.896 561 L HN 0.320 nan 8.230 nan 0.000 0.432 562 E N 0.599 120.850 120.200 0.084 0.000 2.097 562 E HA -0.227 4.120 4.350 -0.005 0.000 0.196 562 E C 2.112 178.755 176.600 0.072 0.000 1.000 562 E CA 1.392 57.832 56.400 0.066 0.000 0.804 562 E CB -0.006 29.724 29.700 0.052 0.000 0.740 562 E HN 0.335 nan 8.360 nan 0.000 0.454 563 K N -0.371 120.085 120.400 0.093 0.000 2.288 563 K HA -0.008 4.309 4.320 -0.005 0.000 0.201 563 K C 1.721 178.425 176.600 0.174 0.000 1.048 563 K CA 0.695 57.048 56.287 0.110 0.000 0.956 563 K CB 0.077 32.647 32.500 0.117 0.000 0.746 563 K HN 0.172 nan 8.250 nan 0.000 0.461 564 L N -0.010 121.333 121.223 0.201 0.000 2.529 564 L HA 0.120 4.457 4.340 -0.005 0.000 0.223 564 L C 2.332 179.348 176.870 0.244 0.000 1.113 564 L CA -0.038 54.993 54.840 0.319 0.000 0.861 564 L CB -0.336 41.863 42.059 0.233 0.000 1.012 564 L HN 0.092 nan 8.230 nan 0.000 0.461 565 A N 1.554 124.446 122.820 0.120 0.000 1.927 565 A HA -0.176 4.141 4.320 -0.005 0.000 0.220 565 A C -0.023 177.574 177.584 0.021 0.000 1.185 565 A CA 1.915 53.995 52.037 0.070 0.000 0.639 565 A CB -1.763 17.259 19.000 0.038 0.000 0.820 565 A HN 0.281 nan 8.150 nan 0.000 0.451 566 P HA -0.136 nan 4.420 nan 0.000 0.219 566 P C 0.664 177.828 177.300 -0.227 0.000 1.146 566 P CA 1.041 64.016 63.100 -0.207 0.000 0.808 566 P CB -0.153 31.337 31.700 -0.351 0.000 0.779 567 Y N -2.876 117.447 120.300 0.038 0.000 2.337 567 Y HA 0.030 4.577 4.550 -0.005 0.000 0.293 567 Y C 1.494 177.447 175.900 0.088 0.000 1.123 567 Y CA 1.037 59.168 58.100 0.052 0.000 1.201 567 Y CB -0.138 38.358 38.460 0.060 0.000 1.011 567 Y HN 0.048 nan 8.280 nan 0.000 0.545 568 H N -0.886 118.255 119.070 0.117 0.000 3.085 568 H HA 0.123 4.677 4.556 -0.005 0.000 0.356 568 H C 0.178 175.523 175.328 0.029 0.000 1.178 568 H CA -0.530 55.552 56.048 0.056 0.000 1.214 568 H CB 1.677 31.463 29.762 0.040 0.000 1.881 568 H HN 0.172 nan 8.280 nan 0.000 0.538 569 E N 3.698 123.897 120.200 -0.002 0.000 2.265 569 E HA -0.100 4.247 4.350 -0.005 0.000 0.196 569 E C 1.758 178.469 176.600 0.184 0.000 0.996 569 E CA 0.745 57.183 56.400 0.064 0.000 0.832 569 E CB 0.268 29.947 29.700 -0.036 0.000 0.756 569 E HN 0.614 nan 8.360 nan 0.000 0.491 570 I N 0.006 120.820 120.570 0.406 0.000 2.361 570 I HA -0.241 3.926 4.170 -0.005 0.000 0.251 570 I C 1.847 178.025 176.117 0.102 0.000 1.133 570 I CA 0.592 62.005 61.300 0.188 0.000 1.413 570 I CB 0.142 38.169 38.000 0.044 0.000 1.073 570 I HN 0.034 nan 8.210 nan 0.000 0.424 571 V N 2.186 122.166 119.914 0.110 0.000 2.287 571 V HA -0.318 3.800 4.120 -0.005 0.000 0.248 571 V C 2.436 178.578 176.094 0.081 0.000 1.053 571 V CA 2.416 64.761 62.300 0.076 0.000 1.027 571 V CB -1.065 30.811 31.823 0.088 0.000 0.646 571 V HN 0.633 nan 8.190 nan 0.000 0.447 572 E N 0.378 120.624 120.200 0.076 0.000 2.153 572 E HA -0.248 4.099 4.350 -0.005 0.000 0.194 572 E C 1.866 178.522 176.600 0.094 0.000 0.988 572 E CA 1.646 58.085 56.400 0.066 0.000 0.811 572 E CB -0.471 29.248 29.700 0.032 0.000 0.746 572 E HN 0.609 nan 8.360 nan 0.000 0.466 573 N N 0.850 119.606 118.700 0.095 0.000 2.188 573 N HA -0.081 4.656 4.740 -0.005 0.000 0.184 573 N C 1.877 177.473 175.510 0.144 0.000 1.018 573 N CA 1.016 54.140 53.050 0.122 0.000 0.858 573 N CB -0.031 38.500 38.487 0.073 0.000 0.989 573 N HN 0.247 nan 8.380 nan 0.000 0.426 574 I N 1.641 122.274 120.570 0.105 0.000 2.226 574 I HA -0.188 3.979 4.170 -0.005 0.000 0.245 574 I C 2.347 178.566 176.117 0.171 0.000 1.100 574 I CA 0.787 62.157 61.300 0.117 0.000 1.374 574 I CB -1.088 36.964 38.000 0.087 0.000 1.057 574 I HN 0.090 nan 8.210 nan 0.000 0.413 575 L N -0.316 120.994 121.223 0.144 0.000 2.046 575 L HA -0.270 4.068 4.340 -0.005 0.000 0.208 575 L C 2.757 179.727 176.870 0.167 0.000 1.077 575 L CA 1.457 56.379 54.840 0.136 0.000 0.747 575 L CB -0.811 41.314 42.059 0.110 0.000 0.896 575 L HN 0.268 nan 8.230 nan 0.000 0.432 576 H N -1.173 117.941 119.070 0.072 0.000 2.387 576 H HA -0.252 4.301 4.556 -0.005 0.000 0.299 576 H C 2.019 177.388 175.328 0.068 0.000 1.090 576 H CA 1.769 57.850 56.048 0.056 0.000 1.332 576 H CB -0.197 29.594 29.762 0.048 0.000 1.386 576 H HN 0.344 nan 8.280 nan 0.000 0.516 577 Y N 0.983 121.250 120.300 -0.055 0.000 2.181 577 Y HA -0.145 4.402 4.550 -0.005 0.000 0.288 577 Y C 2.436 178.279 175.900 -0.095 0.000 1.146 577 Y CA 1.560 59.582 58.100 -0.129 0.000 1.164 577 Y CB -0.066 38.337 38.460 -0.096 0.000 0.982 577 Y HN 0.034 nan 8.280 nan 0.000 0.515 578 R N 0.386 120.900 120.500 0.024 0.000 2.091 578 R HA -0.197 4.140 4.340 -0.005 0.000 0.238 578 R C 2.165 178.408 176.300 -0.094 0.000 1.136 578 R CA 2.013 58.094 56.100 -0.031 0.000 0.959 578 R CB -0.629 29.714 30.300 0.071 0.000 0.856 578 R HN 0.583 nan 8.270 nan 0.000 0.437 579 Q N 0.311 120.076 119.800 -0.059 0.000 2.020 579 Q HA -0.097 4.240 4.340 -0.005 0.000 0.202 579 Q C 2.370 178.303 176.000 -0.111 0.000 0.982 579 Q CA 1.303 57.078 55.803 -0.047 0.000 0.838 579 Q CB -0.180 28.564 28.738 0.010 0.000 0.899 579 Q HN 0.298 nan 8.270 nan 0.000 0.423 580 L N -0.153 120.935 121.223 -0.226 0.000 2.046 580 L HA -0.110 4.227 4.340 -0.005 0.000 0.208 580 L C 2.450 179.178 176.870 -0.236 0.000 1.077 580 L CA 1.137 55.831 54.840 -0.244 0.000 0.747 580 L CB -0.890 40.958 42.059 -0.352 0.000 0.896 580 L HN 0.348 nan 8.230 nan 0.000 0.432 581 G N 0.122 108.704 108.800 -0.364 0.000 2.422 581 G HA2 -0.307 3.650 3.960 -0.005 0.000 0.218 581 G HA3 -0.307 3.650 3.960 -0.005 0.000 0.218 581 G C 1.655 176.452 174.900 -0.171 0.000 1.146 581 G CA 0.911 45.802 45.100 -0.349 0.000 0.769 581 G HN 0.190 nan 8.290 nan 0.000 0.547 582 K N 0.515 120.849 120.400 -0.109 0.000 2.026 582 K HA 0.057 4.375 4.320 -0.005 0.000 0.208 582 K C 2.473 179.111 176.600 0.064 0.000 1.048 582 K CA 1.012 57.288 56.287 -0.018 0.000 0.929 582 K CB -0.615 31.909 32.500 0.040 0.000 0.713 582 K HN 0.341 nan 8.250 nan 0.000 0.439 583 L N 0.259 121.540 121.223 0.096 0.000 2.017 583 L HA -0.203 4.134 4.340 -0.005 0.000 0.208 583 L C 2.727 179.662 176.870 0.108 0.000 1.073 583 L CA 1.619 56.571 54.840 0.186 0.000 0.745 583 L CB -0.602 41.498 42.059 0.068 0.000 0.894 583 L HN 0.333 nan 8.230 nan 0.000 0.432 584 Q N 0.112 119.912 119.800 0.000 0.000 1.993 584 Q HA -0.155 4.182 4.340 -0.005 0.000 0.202 584 Q C 2.307 178.288 176.000 -0.032 0.000 0.984 584 Q CA 2.441 58.229 55.803 -0.025 0.000 0.837 584 Q CB -0.147 28.547 28.738 -0.073 0.000 0.902 584 Q HN 0.323 nan 8.270 nan 0.000 0.423 585 S N -0.680 114.982 115.700 -0.063 0.000 2.345 585 S HA -0.095 4.372 4.470 -0.005 0.000 0.220 585 S C 1.998 176.534 174.600 -0.108 0.000 1.031 585 S CA 1.544 59.699 58.200 -0.076 0.000 0.996 585 S CB -0.586 62.565 63.200 -0.083 0.000 0.882 585 S HN 0.505 nan 8.310 nan 0.000 0.445 586 T N 0.750 115.196 114.554 -0.180 0.000 2.851 586 T HA 0.048 4.395 4.350 -0.005 0.000 0.262 586 T C 1.427 175.861 174.700 -0.444 0.000 1.043 586 T CA 1.138 63.016 62.100 -0.370 0.000 1.140 586 T CB -0.251 68.252 68.868 -0.608 0.000 0.872 586 T HN 0.374 nan 8.240 nan 0.000 0.446 587 Y N 0.520 120.827 120.300 0.011 0.000 2.222 587 Y HA 0.222 4.769 4.550 -0.005 0.000 0.290 587 Y C 2.376 178.291 175.900 0.025 0.000 1.123 587 Y CA -0.140 57.981 58.100 0.036 0.000 1.120 587 Y CB -0.547 37.939 38.460 0.042 0.000 1.060 587 Y HN 0.011 nan 8.280 nan 0.000 0.508 588 I N 0.790 121.451 120.570 0.151 0.000 2.058 588 I HA -0.271 3.896 4.170 -0.005 0.000 0.235 588 I C 2.111 178.244 176.117 0.025 0.000 1.053 588 I CA 1.744 63.084 61.300 0.068 0.000 1.313 588 I CB -1.408 36.613 38.000 0.034 0.000 1.039 588 I HN 0.336 nan 8.210 nan 0.000 0.396 589 E N 0.678 120.879 120.200 0.002 0.000 2.085 589 E HA -0.174 4.173 4.350 -0.005 0.000 0.194 589 E C 2.286 178.876 176.600 -0.017 0.000 0.994 589 E CA 1.260 57.652 56.400 -0.014 0.000 0.801 589 E CB -0.424 29.260 29.700 -0.026 0.000 0.743 589 E HN 0.622 nan 8.360 nan 0.000 0.453 590 G N 1.132 109.917 108.800 -0.025 0.000 2.446 590 G HA2 -0.253 3.705 3.960 -0.005 0.000 0.217 590 G HA3 -0.253 3.705 3.960 -0.005 0.000 0.217 590 G C 1.562 176.465 174.900 0.004 0.000 1.168 590 G CA 0.581 45.663 45.100 -0.030 0.000 0.771 590 G HN 0.091 nan 8.290 nan 0.000 0.551 591 L N -0.143 121.103 121.223 0.039 0.000 2.056 591 L HA 0.054 4.391 4.340 -0.005 0.000 0.207 591 L C 2.898 179.766 176.870 -0.002 0.000 1.078 591 L CA 0.463 55.330 54.840 0.045 0.000 0.749 591 L CB -0.364 41.737 42.059 0.070 0.000 0.901 591 L HN 0.174 nan 8.230 nan 0.000 0.433 592 L N -0.323 120.893 121.223 -0.012 0.000 2.187 592 L HA -0.234 4.104 4.340 -0.005 0.000 0.213 592 L C 2.497 179.355 176.870 -0.020 0.000 1.100 592 L CA 1.277 56.103 54.840 -0.025 0.000 0.765 592 L CB -0.436 41.608 42.059 -0.024 0.000 0.904 592 L HN 0.246 nan 8.230 nan 0.000 0.437 593 K N -0.335 120.055 120.400 -0.015 0.000 2.217 593 K HA -0.088 4.229 4.320 -0.005 0.000 0.202 593 K C 1.692 178.283 176.600 -0.014 0.000 1.051 593 K CA 1.407 57.684 56.287 -0.016 0.000 0.952 593 K CB 0.079 32.568 32.500 -0.017 0.000 0.736 593 K HN 0.347 nan 8.250 nan 0.000 0.453 594 V N -2.421 117.487 119.914 -0.009 0.000 3.578 594 V HA 0.157 4.274 4.120 -0.005 0.000 0.290 594 V C 0.617 176.710 176.094 -0.002 0.000 1.376 594 V CA -0.516 61.781 62.300 -0.006 0.000 1.083 594 V CB 0.140 31.964 31.823 0.001 0.000 0.911 594 V HN -0.206 nan 8.190 nan 0.000 0.433 595 V N 3.036 122.942 119.914 -0.013 0.000 2.637 595 V HA 0.265 4.382 4.120 -0.005 0.000 0.296 595 V C 0.790 176.885 176.094 0.001 0.000 1.046 595 V CA -0.290 61.999 62.300 -0.019 0.000 1.066 595 V CB 0.620 32.416 31.823 -0.046 0.000 0.968 595 V HN 0.496 nan 8.190 nan 0.000 0.483 596 R N 6.974 127.492 120.500 0.031 0.000 2.296 596 R HA 0.179 4.516 4.340 -0.005 0.000 0.323 596 R C -1.517 174.797 176.300 0.023 0.000 1.067 596 R CA -1.571 54.558 56.100 0.047 0.000 0.946 596 R CB 0.716 31.094 30.300 0.130 0.000 0.991 596 R HN 0.532 nan 8.270 nan 0.000 0.448 597 P HA -0.197 nan 4.420 nan 0.000 0.219 597 P C 0.466 177.769 177.300 0.006 0.000 1.146 597 P CA 1.306 64.406 63.100 0.000 0.000 0.808 597 P CB 0.286 31.984 31.700 -0.004 0.000 0.779 598 D N 0.016 120.429 120.400 0.020 0.000 2.137 598 D HA -0.099 4.538 4.640 -0.005 0.000 0.202 598 D C 1.605 177.917 176.300 0.020 0.000 0.970 598 D CA 1.989 56.002 54.000 0.023 0.000 0.837 598 D CB -1.337 39.486 40.800 0.037 0.000 0.981 598 D HN 0.258 nan 8.370 nan 0.000 0.475 599 T N -3.826 110.749 114.554 0.035 0.000 3.001 599 T HA 0.232 4.579 4.350 -0.005 0.000 0.251 599 T C 0.634 175.327 174.700 -0.011 0.000 1.040 599 T CA -0.167 61.943 62.100 0.016 0.000 0.985 599 T CB 0.186 69.083 68.868 0.049 0.000 1.011 599 T HN -0.097 nan 8.240 nan 0.000 0.509 600 K N 0.618 121.012 120.400 -0.010 0.000 3.160 600 K HA -0.108 4.209 4.320 -0.005 0.000 0.280 600 K C -0.508 176.052 176.600 -0.067 0.000 1.154 600 K CA 0.697 56.961 56.287 -0.040 0.000 0.822 600 K CB -1.924 30.546 32.500 -0.050 0.000 1.239 600 K HN 0.601 nan 8.250 nan 0.000 0.489 601 K N -0.248 120.117 120.400 -0.058 0.000 2.208 601 K HA 0.628 4.946 4.320 -0.005 0.000 0.247 601 K C -0.160 176.328 176.600 -0.188 0.000 0.953 601 K CA -0.864 55.327 56.287 -0.160 0.000 0.837 601 K CB 2.075 34.422 32.500 -0.255 0.000 1.131 601 K HN 0.011 nan 8.250 nan 0.000 0.431 602 V N -0.780 118.980 119.914 -0.257 0.000 2.513 602 V HA 0.416 4.533 4.120 -0.005 0.000 0.299 602 V C -0.533 175.329 176.094 -0.387 0.000 1.035 602 V CA -0.683 61.511 62.300 -0.176 0.000 0.889 602 V CB 1.423 33.230 31.823 -0.026 0.000 0.988 602 V HN 0.720 nan 8.190 nan 0.000 0.440 603 H N 2.363 121.352 119.070 -0.135 0.000 2.736 603 H HA 0.370 4.923 4.556 -0.005 0.000 0.271 603 H C 0.310 175.517 175.328 -0.202 0.000 1.184 603 H CA -0.198 55.680 56.048 -0.284 0.000 1.378 603 H CB 1.613 30.945 29.762 -0.717 0.000 1.428 603 H HN 0.872 nan 8.280 nan 0.000 0.500 604 T N 2.472 116.992 114.554 -0.056 0.000 2.701 604 T HA 0.327 4.674 4.350 -0.005 0.000 0.303 604 T C 0.557 175.232 174.700 -0.042 0.000 1.030 604 T CA -0.220 61.806 62.100 -0.123 0.000 1.010 604 T CB 0.314 68.974 68.868 -0.346 0.000 1.007 604 T HN 0.424 nan 8.240 nan 0.000 0.532 605 I N 2.602 123.075 120.570 -0.162 0.000 2.439 605 I HA 0.316 4.483 4.170 -0.005 0.000 0.285 605 I C -1.006 175.020 176.117 -0.152 0.000 1.021 605 I CA -0.730 60.517 61.300 -0.089 0.000 1.091 605 I CB 1.437 39.332 38.000 -0.174 0.000 1.242 605 I HN 0.514 nan 8.210 nan 0.000 0.439 606 F N 4.780 124.802 119.950 0.121 0.000 2.424 606 F HA 0.235 4.759 4.527 -0.005 0.000 0.356 606 F C 0.909 176.746 175.800 0.061 0.000 1.110 606 F CA -0.349 57.700 58.000 0.082 0.000 1.161 606 F CB 0.417 39.463 39.000 0.076 0.000 1.115 606 F HN 0.406 nan 8.300 nan 0.000 0.507 607 N N 3.686 122.508 118.700 0.203 0.000 2.415 607 N HA 0.012 4.749 4.740 -0.005 0.000 0.246 607 N C 0.529 176.065 175.510 0.043 0.000 1.078 607 N CA 0.186 53.293 53.050 0.095 0.000 0.942 607 N CB 0.850 39.373 38.487 0.061 0.000 1.140 607 N HN 0.778 nan 8.380 nan 0.000 0.501 608 Q N 2.713 122.492 119.800 -0.036 0.000 2.392 608 Q HA 0.196 4.533 4.340 -0.005 0.000 0.203 608 Q C -0.221 175.481 176.000 -0.497 0.000 0.917 608 Q CA 0.186 55.906 55.803 -0.138 0.000 0.939 608 Q CB 0.363 29.049 28.738 -0.086 0.000 1.063 608 Q HN 0.618 nan 8.270 nan 0.000 0.516 609 A N 0.491 122.962 122.820 -0.583 0.000 2.956 609 A HA 0.295 4.612 4.320 -0.005 0.000 0.294 609 A C 0.051 177.261 177.584 -0.624 0.000 0.993 609 A CA -0.277 51.064 52.037 -1.161 0.000 1.032 609 A CB 0.300 18.936 19.000 -0.605 0.000 1.129 609 A HN 0.383 nan 8.150 nan 0.000 0.505 610 L N -0.320 120.696 121.223 -0.345 0.000 2.666 610 L HA 0.311 4.648 4.340 -0.005 0.000 0.184 610 L C 1.258 178.265 176.870 0.228 0.000 1.092 610 L CA 1.779 56.636 54.840 0.029 0.000 0.857 610 L CB 0.029 42.113 42.059 0.043 0.000 1.281 610 L HN 0.333 nan 8.230 nan 0.000 0.489 611 T N -1.526 113.170 114.554 0.237 0.000 2.932 611 T HA 0.031 4.379 4.350 -0.005 0.000 0.312 611 T C 0.617 175.498 174.700 0.302 0.000 1.071 611 T CA -0.059 62.194 62.100 0.254 0.000 1.128 611 T CB 0.621 69.614 68.868 0.208 0.000 0.984 611 T HN 0.436 nan 8.240 nan 0.000 0.549 612 Q N 0.842 120.757 119.800 0.191 0.000 2.403 612 Q HA 0.040 4.377 4.340 -0.005 0.000 0.203 612 Q C 1.876 177.918 176.000 0.070 0.000 0.932 612 Q CA 0.743 56.618 55.803 0.119 0.000 0.945 612 Q CB 0.178 28.984 28.738 0.114 0.000 1.045 612 Q HN 1.026 nan 8.270 nan 0.000 0.511 613 T N -5.034 109.578 114.554 0.097 0.000 3.015 613 T HA 0.259 4.606 4.350 -0.005 0.000 0.250 613 T C 1.405 176.146 174.700 0.068 0.000 1.057 613 T CA 0.655 62.791 62.100 0.061 0.000 1.066 613 T CB 0.723 69.626 68.868 0.059 0.000 0.959 613 T HN 0.302 nan 8.240 nan 0.000 0.488 614 G N 1.541 110.426 108.800 0.142 0.000 2.179 614 G HA2 -0.192 3.765 3.960 -0.005 0.000 0.220 614 G HA3 -0.192 3.765 3.960 -0.005 0.000 0.220 614 G C 0.176 175.182 174.900 0.177 0.000 0.990 614 G CA -0.336 44.871 45.100 0.177 0.000 0.646 614 G HN 0.633 nan 8.290 nan 0.000 0.517 615 R N -0.257 120.342 120.500 0.165 0.000 2.615 615 R HA 0.627 4.964 4.340 -0.005 0.000 0.270 615 R C 0.685 177.110 176.300 0.209 0.000 1.081 615 R CA -0.312 55.900 56.100 0.187 0.000 1.154 615 R CB 0.546 30.952 30.300 0.177 0.000 1.063 615 R HN 0.254 nan 8.270 nan 0.000 0.519 616 L N 0.734 122.090 121.223 0.221 0.000 2.399 616 L HA 0.323 4.660 4.340 -0.005 0.000 0.265 616 L C 0.509 177.549 176.870 0.283 0.000 1.089 616 L CA -0.350 54.607 54.840 0.196 0.000 0.802 616 L CB 1.500 43.628 42.059 0.114 0.000 1.180 616 L HN 0.743 nan 8.230 nan 0.000 0.454 617 S N -0.026 115.831 115.700 0.262 0.000 2.677 617 S HA 0.732 5.199 4.470 -0.005 0.000 0.304 617 S C -0.645 174.099 174.600 0.241 0.000 1.108 617 S CA -0.742 57.606 58.200 0.247 0.000 0.944 617 S CB 2.011 65.317 63.200 0.176 0.000 1.127 617 S HN 0.547 nan 8.310 nan 0.000 0.511 618 S N 0.457 116.237 115.700 0.133 0.000 2.547 618 S HA 0.806 5.273 4.470 -0.005 0.000 0.281 618 S C -0.860 173.719 174.600 -0.036 0.000 1.118 618 S CA -0.249 57.930 58.200 -0.034 0.000 0.947 618 S CB 1.208 64.357 63.200 -0.085 0.000 1.053 618 S HN 1.388 nan 8.310 nan 0.000 0.482 619 T N 0.368 114.868 114.554 -0.089 0.000 2.883 619 T HA 0.623 4.970 4.350 -0.005 0.000 0.301 619 T C -0.447 174.218 174.700 -0.059 0.000 1.158 619 T CA -0.687 61.385 62.100 -0.046 0.000 1.007 619 T CB 1.282 70.134 68.868 -0.026 0.000 1.186 619 T HN 0.764 nan 8.240 nan 0.000 0.499 620 E N 1.684 121.866 120.200 -0.030 0.000 2.197 620 E HA -0.132 4.215 4.350 -0.005 0.000 0.184 620 E C -2.362 174.230 176.600 -0.014 0.000 1.439 620 E CA 0.064 56.452 56.400 -0.021 0.000 0.688 620 E CB -0.473 29.208 29.700 -0.031 0.000 1.090 620 E HN 0.569 nan 8.360 nan 0.000 0.341 621 P HA 0.127 nan 4.420 nan 0.000 0.285 621 P C -0.704 176.605 177.300 0.016 0.000 1.280 621 P CA -0.663 62.454 63.100 0.028 0.000 0.862 621 P CB 0.853 32.606 31.700 0.088 0.000 1.153 622 N N 1.382 120.107 118.700 0.042 0.000 2.401 622 N HA 0.095 4.832 4.740 -0.005 0.000 0.255 622 N C 0.241 175.816 175.510 0.108 0.000 1.110 622 N CA 0.024 53.104 53.050 0.051 0.000 0.949 622 N CB -0.517 38.012 38.487 0.069 0.000 1.110 622 N HN 0.311 nan 8.380 nan 0.000 0.490 623 L N 2.629 123.900 121.223 0.081 0.000 2.741 623 L HA 0.199 4.536 4.340 -0.005 0.000 0.237 623 L C 1.055 178.035 176.870 0.182 0.000 1.178 623 L CA 0.090 55.013 54.840 0.138 0.000 0.973 623 L CB 0.032 42.136 42.059 0.076 0.000 1.255 623 L HN 0.564 nan 8.230 nan 0.000 0.498 624 Q N 0.705 120.596 119.800 0.150 0.000 2.282 624 Q HA 0.083 4.420 4.340 -0.005 0.000 0.206 624 Q C 0.420 176.519 176.000 0.165 0.000 0.878 624 Q CA 0.055 55.941 55.803 0.139 0.000 0.944 624 Q CB 0.392 29.169 28.738 0.066 0.000 1.100 624 Q HN 0.455 nan 8.270 nan 0.000 0.509 625 N N -0.342 118.459 118.700 0.169 0.000 2.466 625 N HA 0.068 4.805 4.740 -0.005 0.000 0.272 625 N C -0.574 175.007 175.510 0.120 0.000 1.455 625 N CA -0.229 52.918 53.050 0.162 0.000 0.875 625 N CB 0.360 38.968 38.487 0.202 0.000 1.372 625 N HN -0.073 nan 8.380 nan 0.000 0.492 626 I N 2.443 123.005 120.570 -0.013 0.000 2.556 626 I HA 0.207 4.374 4.170 -0.005 0.000 0.284 626 I C -1.644 174.240 176.117 -0.387 0.000 1.114 626 I CA -1.969 59.173 61.300 -0.263 0.000 1.418 626 I CB -0.030 37.749 38.000 -0.368 0.000 1.394 626 I HN 0.044 nan 8.210 nan 0.000 0.552 627 P HA 0.056 nan 4.420 nan 0.000 0.266 627 P C 0.427 177.551 177.300 -0.293 0.000 1.193 627 P CA 0.301 63.184 63.100 -0.362 0.000 0.770 627 P CB 1.721 33.181 31.700 -0.401 0.000 0.836 628 I N 0.463 120.911 120.570 -0.205 0.000 5.285 628 I HA 0.048 4.215 4.170 -0.005 0.000 0.351 628 I C 2.280 178.320 176.117 -0.129 0.000 1.206 628 I CA -0.168 61.015 61.300 -0.196 0.000 1.527 628 I CB 0.225 38.091 38.000 -0.222 0.000 1.694 628 I HN 0.153 nan 8.210 nan 0.000 0.585 629 R N 1.500 121.944 120.500 -0.092 0.000 2.082 629 R HA -0.023 4.314 4.340 -0.005 0.000 0.234 629 R C 0.331 176.598 176.300 -0.055 0.000 1.136 629 R CA 1.263 57.326 56.100 -0.061 0.000 0.935 629 R CB -0.140 30.135 30.300 -0.041 0.000 0.842 629 R HN 0.258 nan 8.270 nan 0.000 0.430 630 L N 1.200 122.393 121.223 -0.049 0.000 2.307 630 L HA 0.139 4.477 4.340 -0.005 0.000 0.282 630 L C 1.103 177.957 176.870 -0.027 0.000 1.051 630 L CA -0.535 54.287 54.840 -0.030 0.000 0.804 630 L CB 1.617 43.666 42.059 -0.016 0.000 1.197 630 L HN 0.190 nan 8.230 nan 0.000 0.431 631 E N 1.932 122.128 120.200 -0.007 0.000 2.085 631 E HA -0.237 4.110 4.350 -0.005 0.000 0.194 631 E C 1.544 178.161 176.600 0.029 0.000 0.994 631 E CA 1.855 58.269 56.400 0.024 0.000 0.801 631 E CB 0.194 29.913 29.700 0.031 0.000 0.743 631 E HN 0.662 nan 8.360 nan 0.000 0.453 632 E N -0.844 119.363 120.200 0.011 0.000 2.058 632 E HA -0.160 4.187 4.350 -0.005 0.000 0.194 632 E C 2.085 178.675 176.600 -0.017 0.000 0.997 632 E CA 1.164 57.567 56.400 0.004 0.000 0.801 632 E CB -0.421 29.289 29.700 0.017 0.000 0.746 632 E HN 0.451 nan 8.360 nan 0.000 0.450 633 G N 0.767 109.544 108.800 -0.038 0.000 2.430 633 G HA2 -0.231 3.727 3.960 -0.005 0.000 0.216 633 G HA3 -0.231 3.727 3.960 -0.005 0.000 0.216 633 G C 1.500 176.336 174.900 -0.107 0.000 1.146 633 G CA 0.307 45.353 45.100 -0.091 0.000 0.793 633 G HN 0.063 nan 8.290 nan 0.000 0.537 634 R N 0.457 120.920 120.500 -0.061 0.000 2.127 634 R HA -0.068 4.270 4.340 -0.005 0.000 0.238 634 R C 2.207 178.576 176.300 0.116 0.000 1.134 634 R CA 1.103 57.187 56.100 -0.026 0.000 0.975 634 R CB -0.063 30.237 30.300 0.000 0.000 0.865 634 R HN 0.052 nan 8.270 nan 0.000 0.447 635 K N 0.632 121.075 120.400 0.072 0.000 2.281 635 K HA -0.150 4.167 4.320 -0.005 0.000 0.203 635 K C 1.901 178.479 176.600 -0.037 0.000 1.046 635 K CA 1.086 57.339 56.287 -0.056 0.000 0.938 635 K CB -0.231 32.206 32.500 -0.106 0.000 0.737 635 K HN 0.379 nan 8.250 nan 0.000 0.458 636 I N 0.647 121.214 120.570 -0.006 0.000 2.335 636 I HA -0.295 3.872 4.170 -0.005 0.000 0.251 636 I C 2.109 178.334 176.117 0.180 0.000 1.129 636 I CA 1.197 62.526 61.300 0.048 0.000 1.402 636 I CB -0.229 37.776 38.000 0.008 0.000 1.069 636 I HN 0.135 nan 8.210 nan 0.000 0.424 637 R N 0.499 121.083 120.500 0.140 0.000 2.293 637 R HA -0.160 4.177 4.340 -0.005 0.000 0.219 637 R C 1.995 178.522 176.300 0.379 0.000 1.091 637 R CA 0.758 57.003 56.100 0.242 0.000 1.004 637 R CB -0.238 29.986 30.300 -0.126 0.000 0.865 637 R HN 0.553 nan 8.270 nan 0.000 0.469 638 Q N -0.225 119.687 119.800 0.187 0.000 2.369 638 Q HA -0.008 4.329 4.340 -0.005 0.000 0.206 638 Q C 1.780 177.850 176.000 0.116 0.000 0.963 638 Q CA 1.034 56.893 55.803 0.094 0.000 0.894 638 Q CB 0.190 28.839 28.738 -0.149 0.000 0.965 638 Q HN 0.332 nan 8.270 nan 0.000 0.475 639 A N 0.086 122.978 122.820 0.120 0.000 2.169 639 A HA 0.040 4.357 4.320 -0.005 0.000 0.212 639 A C 0.099 177.606 177.584 -0.127 0.000 1.153 639 A CA 0.170 52.181 52.037 -0.044 0.000 0.756 639 A CB 0.078 18.982 19.000 -0.160 0.000 0.813 639 A HN 0.156 nan 8.150 nan 0.000 0.471 640 F N 0.491 120.546 119.950 0.175 0.000 2.391 640 F HA 0.466 4.990 4.527 -0.005 0.000 0.359 640 F C 0.357 176.258 175.800 0.168 0.000 1.122 640 F CA -0.667 57.452 58.000 0.198 0.000 1.120 640 F CB 1.375 40.596 39.000 0.369 0.000 1.142 640 F HN 0.059 nan 8.300 nan 0.000 0.483 641 V N 1.516 121.551 119.914 0.202 0.000 3.155 641 V HA 0.763 4.880 4.120 -0.005 0.000 0.313 641 V C -2.873 173.296 176.094 0.125 0.000 1.162 641 V CA -3.263 59.130 62.300 0.155 0.000 1.048 641 V CB 1.894 33.769 31.823 0.087 0.000 1.092 641 V HN 0.331 nan 8.190 nan 0.000 0.447 642 P HA 0.230 nan 4.420 nan 0.000 0.271 642 P C 0.673 177.985 177.300 0.020 0.000 1.218 642 P CA 0.245 63.422 63.100 0.127 0.000 0.780 642 P CB 0.882 32.706 31.700 0.207 0.000 0.901 643 S N 0.078 115.743 115.700 -0.058 0.000 2.527 643 S HA 0.054 4.521 4.470 -0.005 0.000 0.222 643 S C 0.380 174.795 174.600 -0.310 0.000 0.985 643 S CA 0.398 58.496 58.200 -0.169 0.000 0.921 643 S CB -0.356 62.739 63.200 -0.175 0.000 0.772 643 S HN 0.459 nan 8.310 nan 0.000 0.529 644 E N 0.757 120.684 120.200 -0.456 0.000 2.369 644 E HA 0.481 4.828 4.350 -0.005 0.000 0.270 644 E C -1.122 175.328 176.600 -0.249 0.000 0.909 644 E CA -0.827 55.239 56.400 -0.557 0.000 0.775 644 E CB 2.045 30.988 29.700 -1.261 0.000 1.270 644 E HN 0.103 nan 8.360 nan 0.000 0.445 645 S N 1.867 117.493 115.700 -0.122 0.000 2.549 645 S HA 0.015 4.482 4.470 -0.005 0.000 0.286 645 S C -0.122 174.584 174.600 0.177 0.000 1.314 645 S CA 0.064 58.280 58.200 0.027 0.000 1.062 645 S CB 0.088 63.300 63.200 0.020 0.000 0.865 645 S HN 0.647 nan 8.310 nan 0.000 0.498 646 D N -0.375 120.138 120.400 0.187 0.000 3.041 646 D HA -0.134 4.503 4.640 -0.005 0.000 0.220 646 D C -0.873 175.622 176.300 0.324 0.000 1.157 646 D CA 0.990 55.120 54.000 0.217 0.000 0.876 646 D CB -1.060 39.842 40.800 0.171 0.000 1.107 646 D HN 0.522 nan 8.370 nan 0.000 0.422 647 W N 0.116 121.420 121.300 0.007 0.000 2.576 647 W HA 0.733 5.390 4.660 -0.005 0.000 0.360 647 W C 0.603 177.138 176.519 0.027 0.000 1.109 647 W CA -0.393 56.948 57.345 -0.006 0.000 1.237 647 W CB 0.733 30.179 29.460 -0.023 0.000 1.369 647 W HN -0.174 nan 8.180 nan 0.000 0.609 648 L N 2.633 123.984 121.223 0.214 0.000 2.359 648 L HA 0.493 4.830 4.340 -0.005 0.000 0.256 648 L C -0.686 176.307 176.870 0.206 0.000 1.026 648 L CA -1.342 53.619 54.840 0.202 0.000 0.828 648 L CB 1.747 43.918 42.059 0.185 0.000 1.406 648 L HN -0.002 nan 8.230 nan 0.000 0.413 649 I N 1.437 122.147 120.570 0.234 0.000 2.365 649 I HA 0.279 4.446 4.170 -0.005 0.000 0.291 649 I C -0.704 175.585 176.117 0.286 0.000 1.004 649 I CA 0.025 61.454 61.300 0.214 0.000 1.311 649 I CB 1.033 39.148 38.000 0.191 0.000 1.401 649 I HN 0.333 nan 8.210 nan 0.000 0.491 650 F N 5.847 125.854 119.950 0.095 0.000 2.477 650 F HA 0.716 5.240 4.527 -0.005 0.000 0.335 650 F C -0.397 175.463 175.800 0.099 0.000 1.130 650 F CA -0.592 57.486 58.000 0.131 0.000 0.948 650 F CB 1.457 40.474 39.000 0.029 0.000 1.154 650 F HN 0.498 nan 8.300 nan 0.000 0.439 651 A N 4.562 127.300 122.820 -0.135 0.000 2.355 651 A HA 0.930 5.247 4.320 -0.005 0.000 0.317 651 A C -1.449 176.098 177.584 -0.062 0.000 1.094 651 A CA -0.305 51.739 52.037 0.012 0.000 0.764 651 A CB 1.050 20.122 19.000 0.120 0.000 1.230 651 A HN 1.256 nan 8.150 nan 0.000 0.448 652 A N 2.876 125.743 122.820 0.077 0.000 2.374 652 A HA 0.750 5.067 4.320 -0.005 0.000 0.305 652 A C -1.189 176.408 177.584 0.022 0.000 1.053 652 A CA -0.509 51.573 52.037 0.075 0.000 0.726 652 A CB 1.008 20.103 19.000 0.157 0.000 1.229 652 A HN 0.922 nan 8.150 nan 0.000 0.431 653 D N 1.328 121.736 120.400 0.013 0.000 2.738 653 D HA 0.411 5.048 4.640 -0.005 0.000 0.237 653 D C -1.308 174.980 176.300 -0.021 0.000 1.123 653 D CA -0.357 53.653 54.000 0.016 0.000 0.856 653 D CB 0.940 41.802 40.800 0.104 0.000 1.552 653 D HN 0.339 nan 8.370 nan 0.000 0.480 654 Y N 0.513 120.848 120.300 0.059 0.000 2.425 654 Y HA 0.180 4.728 4.550 -0.005 0.000 0.331 654 Y C 1.360 177.274 175.900 0.023 0.000 1.157 654 Y CA 0.140 58.255 58.100 0.025 0.000 1.372 654 Y CB 1.172 39.630 38.460 -0.004 0.000 1.253 654 Y HN 0.309 nan 8.280 nan 0.000 0.536 655 S N 4.574 120.377 115.700 0.172 0.000 2.411 655 S HA 0.130 4.597 4.470 -0.005 0.000 0.294 655 S C -0.328 174.307 174.600 0.058 0.000 1.115 655 S CA -0.693 57.572 58.200 0.107 0.000 1.071 655 S CB -0.029 63.223 63.200 0.086 0.000 0.967 655 S HN 0.712 nan 8.310 nan 0.000 0.488 656 Q N 2.823 122.655 119.800 0.054 0.000 2.435 656 Q HA -0.222 4.115 4.340 -0.005 0.000 0.312 656 Q C 0.659 176.570 176.000 -0.148 0.000 1.333 656 Q CA 0.757 56.555 55.803 -0.007 0.000 0.883 656 Q CB -2.149 26.630 28.738 0.069 0.000 1.170 656 Q HN 0.918 nan 8.270 nan 0.000 0.443 657 I N -0.532 119.969 120.570 -0.116 0.000 2.286 657 I HA -0.289 3.878 4.170 -0.005 0.000 0.248 657 I C 1.723 177.683 176.117 -0.261 0.000 1.115 657 I CA 1.686 62.842 61.300 -0.241 0.000 1.392 657 I CB 0.354 38.159 38.000 -0.325 0.000 1.065 657 I HN 0.238 nan 8.210 nan 0.000 0.418 658 E N 0.888 120.968 120.200 -0.201 0.000 2.051 658 E HA -0.211 4.136 4.350 -0.005 0.000 0.192 658 E C 2.115 178.604 176.600 -0.185 0.000 0.991 658 E CA 1.463 57.741 56.400 -0.203 0.000 0.799 658 E CB -0.359 29.203 29.700 -0.230 0.000 0.748 658 E HN 0.476 nan 8.360 nan 0.000 0.449 659 L N 0.205 121.343 121.223 -0.141 0.000 2.141 659 L HA -0.111 4.226 4.340 -0.005 0.000 0.209 659 L C 2.371 179.159 176.870 -0.138 0.000 1.094 659 L CA 1.003 55.822 54.840 -0.036 0.000 0.763 659 L CB -0.190 41.983 42.059 0.189 0.000 0.908 659 L HN 0.054 nan 8.230 nan 0.000 0.437 660 R N -0.879 119.311 120.500 -0.517 0.000 2.092 660 R HA -0.101 4.236 4.340 -0.005 0.000 0.231 660 R C 2.255 178.381 176.300 -0.290 0.000 1.119 660 R CA 0.948 56.634 56.100 -0.691 0.000 0.970 660 R CB -0.363 29.461 30.300 -0.793 0.000 0.864 660 R HN 0.140 nan 8.270 nan 0.000 0.440 661 V N 1.359 121.122 119.914 -0.251 0.000 2.343 661 V HA -0.221 3.896 4.120 -0.005 0.000 0.247 661 V C 2.137 178.157 176.094 -0.123 0.000 1.051 661 V CA 1.479 63.674 62.300 -0.176 0.000 1.036 661 V CB -0.386 31.318 31.823 -0.198 0.000 0.654 661 V HN 0.248 nan 8.190 nan 0.000 0.451 662 L N 0.978 122.111 121.223 -0.150 0.000 2.046 662 L HA -0.074 4.263 4.340 -0.005 0.000 0.208 662 L C 2.438 179.235 176.870 -0.121 0.000 1.077 662 L CA 2.403 57.132 54.840 -0.186 0.000 0.747 662 L CB -1.034 40.946 42.059 -0.132 0.000 0.896 662 L HN 0.217 nan 8.230 nan 0.000 0.432 663 A N -1.213 121.600 122.820 -0.011 0.000 1.908 663 A HA -0.319 3.998 4.320 -0.005 0.000 0.218 663 A C 2.291 179.890 177.584 0.026 0.000 1.181 663 A CA 1.927 54.002 52.037 0.064 0.000 0.627 663 A CB -1.085 18.038 19.000 0.206 0.000 0.818 663 A HN 0.760 nan 8.150 nan 0.000 0.445 664 H N -0.182 118.837 119.070 -0.084 0.000 2.299 664 H HA -0.024 4.530 4.556 -0.005 0.000 0.302 664 H C 1.768 177.035 175.328 -0.102 0.000 1.078 664 H CA 2.099 58.096 56.048 -0.085 0.000 1.323 664 H CB -0.257 29.439 29.762 -0.110 0.000 1.381 664 H HN 0.400 nan 8.280 nan 0.000 0.498 665 I N 0.213 120.691 120.570 -0.153 0.000 2.226 665 I HA -0.211 3.956 4.170 -0.005 0.000 0.245 665 I C 2.532 178.499 176.117 -0.251 0.000 1.100 665 I CA 1.154 62.308 61.300 -0.243 0.000 1.374 665 I CB -0.396 37.435 38.000 -0.281 0.000 1.057 665 I HN 0.444 nan 8.210 nan 0.000 0.413 666 A N -0.368 122.293 122.820 -0.264 0.000 2.123 666 A HA -0.057 4.260 4.320 -0.005 0.000 0.214 666 A C 1.054 178.618 177.584 -0.033 0.000 1.152 666 A CA 0.223 52.195 52.037 -0.109 0.000 0.728 666 A CB -0.317 18.638 19.000 -0.074 0.000 0.814 666 A HN 0.508 nan 8.150 nan 0.000 0.464 667 E N 0.554 120.709 120.200 -0.074 0.000 2.297 667 E HA -0.190 4.157 4.350 -0.005 0.000 0.228 667 E C -0.622 175.987 176.600 0.015 0.000 1.213 667 E CA 0.632 57.005 56.400 -0.045 0.000 0.712 667 E CB -1.323 28.340 29.700 -0.060 0.000 1.202 667 E HN 0.725 nan 8.360 nan 0.000 0.376 668 D N 0.678 121.108 120.400 0.050 0.000 2.325 668 D HA -0.008 4.629 4.640 -0.005 0.000 0.251 668 D C 0.802 177.158 176.300 0.094 0.000 1.196 668 D CA -0.209 53.850 54.000 0.099 0.000 0.866 668 D CB 0.739 41.639 40.800 0.167 0.000 1.101 668 D HN 0.033 nan 8.370 nan 0.000 0.476 669 D N 3.461 123.900 120.400 0.064 0.000 2.104 669 D HA -0.211 4.426 4.640 -0.005 0.000 0.194 669 D C 1.488 177.820 176.300 0.053 0.000 0.994 669 D CA 1.037 55.064 54.000 0.044 0.000 0.830 669 D CB 0.032 40.842 40.800 0.016 0.000 0.959 669 D HN 0.482 nan 8.370 nan 0.000 0.452 670 N N 0.300 119.034 118.700 0.058 0.000 2.142 670 N HA -0.126 4.612 4.740 -0.005 0.000 0.186 670 N C 1.709 177.318 175.510 0.165 0.000 1.023 670 N CA 0.512 53.588 53.050 0.044 0.000 0.852 670 N CB -0.341 38.069 38.487 -0.127 0.000 0.998 670 N HN 0.042 nan 8.380 nan 0.000 0.424 671 L N 0.386 121.778 121.223 0.281 0.000 2.056 671 L HA 0.085 4.422 4.340 -0.005 0.000 0.207 671 L C 2.163 179.113 176.870 0.132 0.000 1.078 671 L CA 1.398 56.340 54.840 0.169 0.000 0.749 671 L CB -0.505 41.618 42.059 0.105 0.000 0.901 671 L HN 0.265 nan 8.230 nan 0.000 0.433 672 M N -1.143 118.548 119.600 0.151 0.000 2.117 672 M HA -0.207 4.271 4.480 -0.005 0.000 0.262 672 M C 2.157 178.530 176.300 0.122 0.000 1.065 672 M CA 1.838 57.235 55.300 0.162 0.000 1.114 672 M CB -0.383 32.281 32.600 0.107 0.000 1.361 672 M HN 0.231 nan 8.290 nan 0.000 0.408 673 E N 0.871 121.112 120.200 0.068 0.000 2.077 673 E HA -0.139 4.209 4.350 -0.005 0.000 0.193 673 E C 1.825 178.430 176.600 0.008 0.000 0.989 673 E CA 1.812 58.234 56.400 0.036 0.000 0.800 673 E CB -0.156 29.552 29.700 0.013 0.000 0.746 673 E HN 0.391 nan 8.360 nan 0.000 0.452 674 A N -0.260 122.533 122.820 -0.045 0.000 1.908 674 A HA -0.152 4.166 4.320 -0.005 0.000 0.218 674 A C 2.019 179.489 177.584 -0.191 0.000 1.181 674 A CA 1.593 53.531 52.037 -0.165 0.000 0.627 674 A CB -0.914 17.908 19.000 -0.297 0.000 0.818 674 A HN 0.377 nan 8.150 nan 0.000 0.445 675 F N -0.429 119.528 119.950 0.012 0.000 2.367 675 F HA 0.039 4.563 4.527 -0.005 0.000 0.298 675 F C 2.423 178.227 175.800 0.007 0.000 1.094 675 F CA 1.045 59.046 58.000 0.001 0.000 1.409 675 F CB -0.325 38.672 39.000 -0.006 0.000 1.064 675 F HN 0.104 nan 8.300 nan 0.000 0.528 676 R N -0.167 120.435 120.500 0.171 0.000 2.189 676 R HA -0.039 4.298 4.340 -0.005 0.000 0.223 676 R C 1.747 178.090 176.300 0.071 0.000 1.092 676 R CA 0.827 56.991 56.100 0.105 0.000 0.989 676 R CB -0.160 30.185 30.300 0.076 0.000 0.876 676 R HN 0.216 nan 8.270 nan 0.000 0.457 677 R N 0.229 120.760 120.500 0.051 0.000 2.317 677 R HA -0.006 4.331 4.340 -0.005 0.000 0.208 677 R C -0.173 176.146 176.300 0.033 0.000 0.914 677 R CA 0.100 56.216 56.100 0.027 0.000 1.060 677 R CB 0.179 30.479 30.300 0.001 0.000 1.015 677 R HN 0.039 nan 8.270 nan 0.000 0.498 678 D N 0.767 121.208 120.400 0.068 0.000 2.708 678 D HA -0.169 4.468 4.640 -0.005 0.000 0.236 678 D C -0.947 175.374 176.300 0.034 0.000 1.146 678 D CA 0.404 54.457 54.000 0.088 0.000 0.662 678 D CB -0.659 40.186 40.800 0.076 0.000 1.059 678 D HN -0.047 nan 8.370 nan 0.000 0.428 679 L N 0.945 122.153 121.223 -0.025 0.000 2.464 679 L HA 0.235 4.572 4.340 -0.005 0.000 0.264 679 L C 1.008 177.835 176.870 -0.072 0.000 1.199 679 L CA 0.147 54.952 54.840 -0.059 0.000 0.818 679 L CB 0.564 42.560 42.059 -0.104 0.000 1.102 679 L HN 0.146 nan 8.230 nan 0.000 0.473 680 D N 1.567 121.937 120.400 -0.051 0.000 2.346 680 D HA -0.061 4.576 4.640 -0.005 0.000 0.260 680 D C 1.149 177.379 176.300 -0.116 0.000 1.252 680 D CA -0.104 53.866 54.000 -0.050 0.000 0.895 680 D CB 0.660 41.458 40.800 -0.004 0.000 1.097 680 D HN 0.433 nan 8.370 nan 0.000 0.489 681 I N 5.369 125.807 120.570 -0.220 0.000 2.361 681 I HA -0.253 3.914 4.170 -0.005 0.000 0.251 681 I C 1.813 177.812 176.117 -0.197 0.000 1.133 681 I CA 1.375 62.491 61.300 -0.306 0.000 1.413 681 I CB -0.193 37.578 38.000 -0.381 0.000 1.073 681 I HN 0.497 nan 8.210 nan 0.000 0.424 682 H N -0.695 118.383 119.070 0.013 0.000 2.363 682 H HA -0.002 4.551 4.556 -0.005 0.000 0.301 682 H C 2.212 177.559 175.328 0.032 0.000 1.074 682 H CA 1.798 57.866 56.048 0.032 0.000 1.354 682 H CB -0.923 28.869 29.762 0.049 0.000 1.397 682 H HN 0.277 nan 8.280 nan 0.000 0.516 683 T N 1.189 115.817 114.554 0.123 0.000 2.777 683 T HA -0.126 4.221 4.350 -0.005 0.000 0.266 683 T C 2.109 176.840 174.700 0.051 0.000 1.040 683 T CA 1.660 63.810 62.100 0.083 0.000 1.141 683 T CB 0.087 68.986 68.868 0.053 0.000 0.868 683 T HN 0.169 nan 8.240 nan 0.000 0.444 684 K N 1.336 121.744 120.400 0.014 0.000 2.057 684 K HA -0.062 4.255 4.320 -0.005 0.000 0.207 684 K C 2.221 178.844 176.600 0.038 0.000 1.049 684 K CA 1.747 58.034 56.287 -0.000 0.000 0.931 684 K CB -0.990 31.481 32.500 -0.049 0.000 0.714 684 K HN 0.212 nan 8.250 nan 0.000 0.440 685 T N 0.465 115.062 114.554 0.072 0.000 2.788 685 T HA -0.090 4.257 4.350 -0.005 0.000 0.268 685 T C 1.813 176.506 174.700 -0.012 0.000 1.044 685 T CA 1.407 63.578 62.100 0.118 0.000 1.139 685 T CB -0.515 68.444 68.868 0.152 0.000 0.867 685 T HN 0.406 nan 8.240 nan 0.000 0.454 686 A N 1.365 124.196 122.820 0.017 0.000 1.902 686 A HA -0.056 4.262 4.320 -0.005 0.000 0.217 686 A C 2.329 179.945 177.584 0.052 0.000 1.181 686 A CA 1.525 53.587 52.037 0.042 0.000 0.623 686 A CB -0.686 18.448 19.000 0.225 0.000 0.818 686 A HN 0.458 nan 8.150 nan 0.000 0.443 687 M N -0.427 119.198 119.600 0.042 0.000 2.108 687 M HA -0.176 4.302 4.480 -0.005 0.000 0.261 687 M C 1.528 177.804 176.300 -0.039 0.000 1.066 687 M CA 1.785 57.099 55.300 0.024 0.000 1.107 687 M CB -0.528 32.073 32.600 0.002 0.000 1.356 687 M HN 0.334 nan 8.290 nan 0.000 0.406 688 D N 0.579 120.916 120.400 -0.105 0.000 2.091 688 D HA -0.081 4.556 4.640 -0.005 0.000 0.199 688 D C 1.912 178.081 176.300 -0.218 0.000 0.980 688 D CA 1.442 55.328 54.000 -0.190 0.000 0.831 688 D CB -0.445 40.163 40.800 -0.319 0.000 0.987 688 D HN 0.538 nan 8.370 nan 0.000 0.460 689 I N -2.550 117.832 120.570 -0.313 0.000 2.546 689 I HA -0.090 4.077 4.170 -0.005 0.000 0.255 689 I C 1.150 177.016 176.117 -0.419 0.000 1.163 689 I CA 1.123 62.164 61.300 -0.432 0.000 1.457 689 I CB -0.294 37.318 38.000 -0.647 0.000 1.092 689 I HN -0.238 nan 8.210 nan 0.000 0.434 690 F N 1.522 121.439 119.950 -0.055 0.000 2.695 690 F HA 0.323 4.847 4.527 -0.005 0.000 0.303 690 F C 0.577 176.362 175.800 -0.025 0.000 1.091 690 F CA -0.843 57.133 58.000 -0.039 0.000 1.300 690 F CB -0.623 38.346 39.000 -0.051 0.000 1.071 690 F HN 0.127 nan 8.300 nan 0.000 0.578 691 Q N 0.810 120.658 119.800 0.079 0.000 2.454 691 Q HA -0.108 4.229 4.340 -0.005 0.000 0.341 691 Q C -0.714 175.318 176.000 0.052 0.000 1.437 691 Q CA 0.492 56.318 55.803 0.038 0.000 0.935 691 Q CB -1.675 27.083 28.738 0.033 0.000 1.164 691 Q HN 0.321 nan 8.270 nan 0.000 0.373 692 V N -3.273 116.673 119.914 0.053 0.000 3.159 692 V HA 0.861 4.978 4.120 -0.005 0.000 0.308 692 V C 0.335 176.444 176.094 0.025 0.000 1.190 692 V CA -0.485 61.841 62.300 0.043 0.000 1.037 692 V CB 2.168 34.028 31.823 0.062 0.000 1.060 692 V HN 0.409 nan 8.190 nan 0.000 0.437 693 S N -0.298 115.412 115.700 0.016 0.000 2.624 693 S HA 0.315 4.782 4.470 -0.005 0.000 0.263 693 S C 0.933 175.541 174.600 0.014 0.000 1.287 693 S CA 0.593 58.798 58.200 0.008 0.000 0.990 693 S CB 1.083 64.284 63.200 0.003 0.000 0.950 693 S HN 1.075 nan 8.310 nan 0.000 0.561 694 E N 0.831 121.036 120.200 0.008 0.000 2.058 694 E HA -0.257 4.091 4.350 -0.005 0.000 0.194 694 E C 1.201 177.810 176.600 0.014 0.000 0.997 694 E CA 1.804 58.211 56.400 0.012 0.000 0.801 694 E CB -0.356 29.347 29.700 0.006 0.000 0.746 694 E HN 0.896 nan 8.360 nan 0.000 0.450 695 D N -0.197 120.208 120.400 0.009 0.000 2.371 695 D HA -0.142 4.495 4.640 -0.005 0.000 0.221 695 D C 0.958 177.262 176.300 0.007 0.000 0.986 695 D CA 0.705 54.709 54.000 0.007 0.000 0.899 695 D CB -0.240 40.562 40.800 0.003 0.000 0.902 695 D HN 0.344 nan 8.370 nan 0.000 0.530 696 E N -0.180 120.026 120.200 0.011 0.000 2.472 696 E HA 0.105 4.452 4.350 -0.005 0.000 0.196 696 E C -0.026 176.582 176.600 0.012 0.000 1.033 696 E CA -0.134 56.271 56.400 0.009 0.000 0.886 696 E CB 1.009 30.716 29.700 0.012 0.000 0.944 696 E HN 0.095 nan 8.360 nan 0.000 0.492 697 V N 3.285 123.214 119.914 0.024 0.000 2.439 697 V HA 0.007 4.124 4.120 -0.005 0.000 0.271 697 V C 0.765 176.867 176.094 0.014 0.000 1.040 697 V CA 0.004 62.325 62.300 0.036 0.000 1.002 697 V CB 0.477 32.336 31.823 0.060 0.000 1.000 697 V HN 0.228 nan 8.190 nan 0.000 0.477 698 T N 3.707 118.255 114.554 -0.010 0.000 2.847 698 T HA 0.349 4.696 4.350 -0.005 0.000 0.279 698 T C -1.694 172.999 174.700 -0.011 0.000 0.984 698 T CA -1.842 60.246 62.100 -0.020 0.000 0.988 698 T CB 1.479 70.320 68.868 -0.046 0.000 1.040 698 T HN 0.362 nan 8.240 nan 0.000 0.528 699 P HA -0.067 nan 4.420 nan 0.000 0.215 699 P C 1.436 178.730 177.300 -0.010 0.000 1.153 699 P CA 0.895 63.992 63.100 -0.004 0.000 0.853 699 P CB -0.033 31.662 31.700 -0.008 0.000 0.788 700 N N -1.329 117.354 118.700 -0.028 0.000 2.244 700 N HA -0.095 4.642 4.740 -0.005 0.000 0.183 700 N C 1.626 177.109 175.510 -0.045 0.000 1.016 700 N CA 1.206 54.235 53.050 -0.035 0.000 0.866 700 N CB -0.564 37.893 38.487 -0.049 0.000 0.980 700 N HN 0.030 nan 8.380 nan 0.000 0.430 701 M N -0.418 119.135 119.600 -0.078 0.000 2.086 701 M HA -0.110 4.367 4.480 -0.005 0.000 0.261 701 M C 2.287 178.665 176.300 0.130 0.000 1.067 701 M CA 1.256 56.508 55.300 -0.081 0.000 1.116 701 M CB -0.175 32.356 32.600 -0.115 0.000 1.348 701 M HN 0.122 nan 8.290 nan 0.000 0.407 702 R N 0.348 120.900 120.500 0.087 0.000 2.096 702 R HA -0.159 4.178 4.340 -0.005 0.000 0.235 702 R C 2.304 178.638 176.300 0.056 0.000 1.127 702 R CA 1.551 57.711 56.100 0.100 0.000 0.968 702 R CB -0.193 30.155 30.300 0.079 0.000 0.861 702 R HN 0.267 nan 8.270 nan 0.000 0.440 703 R N 0.374 120.888 120.500 0.024 0.000 2.081 703 R HA -0.158 4.179 4.340 -0.005 0.000 0.235 703 R C 2.084 178.389 176.300 0.009 0.000 1.131 703 R CA 1.961 58.055 56.100 -0.009 0.000 0.960 703 R CB -0.075 30.220 30.300 -0.009 0.000 0.856 703 R HN 0.407 nan 8.270 nan 0.000 0.436 704 Q N -0.562 119.276 119.800 0.063 0.000 2.172 704 Q HA -0.056 4.281 4.340 -0.005 0.000 0.200 704 Q C 2.088 178.128 176.000 0.067 0.000 0.964 704 Q CA 1.225 57.089 55.803 0.103 0.000 0.855 704 Q CB 0.036 28.871 28.738 0.161 0.000 0.918 704 Q HN 0.431 nan 8.270 nan 0.000 0.444 705 A N 1.736 124.609 122.820 0.088 0.000 1.930 705 A HA -0.195 4.122 4.320 -0.005 0.000 0.217 705 A C 2.037 179.652 177.584 0.053 0.000 1.175 705 A CA 1.459 53.517 52.037 0.034 0.000 0.627 705 A CB -0.350 18.697 19.000 0.078 0.000 0.815 705 A HN 0.201 nan 8.150 nan 0.000 0.443 706 K N -0.185 120.194 120.400 -0.034 0.000 2.097 706 K HA -0.067 4.250 4.320 -0.005 0.000 0.206 706 K C 2.057 178.621 176.600 -0.061 0.000 1.049 706 K CA 1.172 57.291 56.287 -0.279 0.000 0.933 706 K CB -0.298 31.863 32.500 -0.565 0.000 0.717 706 K HN 0.359 nan 8.250 nan 0.000 0.442 707 A N 0.536 123.354 122.820 -0.003 0.000 1.930 707 A HA -0.071 4.246 4.320 -0.005 0.000 0.217 707 A C 2.175 179.846 177.584 0.145 0.000 1.175 707 A CA 1.332 53.410 52.037 0.069 0.000 0.627 707 A CB -0.448 18.581 19.000 0.049 0.000 0.815 707 A HN 0.164 nan 8.150 nan 0.000 0.443 708 V N 1.005 120.969 119.914 0.083 0.000 2.343 708 V HA -0.241 3.876 4.120 -0.005 0.000 0.247 708 V C 2.251 178.325 176.094 -0.034 0.000 1.051 708 V CA 2.094 64.406 62.300 0.019 0.000 1.036 708 V CB -0.893 30.905 31.823 -0.041 0.000 0.654 708 V HN 0.545 nan 8.190 nan 0.000 0.451 709 N N -0.305 118.417 118.700 0.036 0.000 2.244 709 N HA -0.144 4.593 4.740 -0.005 0.000 0.183 709 N C 1.668 177.229 175.510 0.086 0.000 1.016 709 N CA 1.397 54.475 53.050 0.045 0.000 0.866 709 N CB -0.448 38.173 38.487 0.224 0.000 0.980 709 N HN 0.558 nan 8.380 nan 0.000 0.430 710 F N 1.448 121.416 119.950 0.029 0.000 2.171 710 F HA -0.037 4.488 4.527 -0.005 0.000 0.300 710 F C 2.177 178.041 175.800 0.106 0.000 1.090 710 F CA 1.532 59.588 58.000 0.094 0.000 1.293 710 F CB -0.465 38.610 39.000 0.125 0.000 1.013 710 F HN 0.002 nan 8.300 nan 0.000 0.486 711 G N 0.588 109.539 108.800 0.251 0.000 2.422 711 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.218 711 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.218 711 G C 1.723 176.610 174.900 -0.021 0.000 1.140 711 G CA 1.143 46.330 45.100 0.145 0.000 0.775 711 G HN 0.482 nan 8.290 nan 0.000 0.545 712 I N 0.234 120.740 120.570 -0.107 0.000 2.353 712 I HA -0.085 4.083 4.170 -0.005 0.000 0.248 712 I C 2.652 178.662 176.117 -0.179 0.000 1.119 712 I CA 0.266 61.477 61.300 -0.149 0.000 1.417 712 I CB -0.048 37.811 38.000 -0.234 0.000 1.078 712 I HN 0.001 nan 8.210 nan 0.000 0.421 713 V N -0.148 119.592 119.914 -0.289 0.000 2.427 713 V HA -0.260 3.858 4.120 -0.005 0.000 0.248 713 V C 1.621 177.321 176.094 -0.657 0.000 1.051 713 V CA 1.804 63.803 62.300 -0.502 0.000 1.048 713 V CB -0.605 30.801 31.823 -0.695 0.000 0.666 713 V HN 0.382 nan 8.190 nan 0.000 0.456 714 Y N -0.085 120.033 120.300 -0.303 0.000 2.467 714 Y HA 0.487 5.034 4.550 -0.005 0.000 0.250 714 Y C 1.759 177.586 175.900 -0.122 0.000 1.155 714 Y CA -0.113 57.832 58.100 -0.259 0.000 1.249 714 Y CB -0.042 38.155 38.460 -0.437 0.000 1.146 714 Y HN 0.275 nan 8.280 nan 0.000 0.524 715 G N 2.126 110.927 108.800 0.002 0.000 2.323 715 G HA2 -0.313 3.644 3.960 -0.005 0.000 0.292 715 G HA3 -0.313 3.644 3.960 -0.005 0.000 0.292 715 G C 0.323 175.271 174.900 0.080 0.000 1.040 715 G CA 0.500 45.615 45.100 0.025 0.000 0.942 715 G HN 0.567 nan 8.290 nan 0.000 0.506 716 I N -1.476 119.164 120.570 0.117 0.000 2.764 716 I HA 0.721 4.888 4.170 -0.005 0.000 0.294 716 I C 0.854 177.064 176.117 0.156 0.000 1.045 716 I CA -0.340 61.059 61.300 0.165 0.000 1.340 716 I CB 1.231 39.364 38.000 0.221 0.000 1.436 716 I HN 0.350 nan 8.210 nan 0.000 0.567 717 S N 1.954 117.765 115.700 0.185 0.000 2.645 717 S HA 0.114 4.581 4.470 -0.005 0.000 0.266 717 S C 0.807 175.539 174.600 0.219 0.000 1.258 717 S CA -0.043 58.282 58.200 0.208 0.000 0.990 717 S CB 1.195 64.544 63.200 0.249 0.000 0.967 717 S HN 0.834 nan 8.310 nan 0.000 0.556 718 D N 0.169 120.704 120.400 0.226 0.000 2.218 718 D HA -0.208 4.429 4.640 -0.005 0.000 0.204 718 D C 1.346 177.710 176.300 0.107 0.000 0.976 718 D CA 1.474 55.556 54.000 0.136 0.000 0.853 718 D CB -0.659 40.192 40.800 0.085 0.000 0.939 718 D HN 0.674 nan 8.370 nan 0.000 0.481 719 Y N 1.372 121.733 120.300 0.102 0.000 2.263 719 Y HA 0.122 4.670 4.550 -0.004 0.000 0.292 719 Y C 2.928 178.880 175.900 0.086 0.000 1.130 719 Y CA 1.296 59.449 58.100 0.088 0.000 1.179 719 Y CB -0.646 37.872 38.460 0.097 0.000 0.998 719 Y HN 0.134 nan 8.280 nan 0.000 0.532 720 G N -0.287 108.677 108.800 0.274 0.000 2.422 720 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.218 720 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.218 720 G C 1.638 176.639 174.900 0.169 0.000 1.146 720 G CA 0.980 46.202 45.100 0.204 0.000 0.769 720 G HN 0.327 nan 8.290 nan 0.000 0.547 721 L N 1.354 122.673 121.223 0.159 0.000 2.056 721 L HA 0.214 4.551 4.340 -0.005 0.000 0.207 721 L C 3.064 179.993 176.870 0.098 0.000 1.078 721 L CA 2.072 56.995 54.840 0.138 0.000 0.749 721 L CB -0.785 41.353 42.059 0.132 0.000 0.901 721 L HN 0.224 nan 8.230 nan 0.000 0.433 722 A N -0.897 121.959 122.820 0.061 0.000 1.908 722 A HA -0.306 4.011 4.320 -0.005 0.000 0.218 722 A C 2.282 179.893 177.584 0.044 0.000 1.181 722 A CA 1.969 54.015 52.037 0.016 0.000 0.627 722 A CB -0.770 18.206 19.000 -0.039 0.000 0.818 722 A HN 0.593 nan 8.150 nan 0.000 0.445 723 Q N 0.324 120.171 119.800 0.077 0.000 2.079 723 Q HA -0.136 4.202 4.340 -0.005 0.000 0.200 723 Q C 1.727 177.761 176.000 0.057 0.000 0.974 723 Q CA 2.072 57.920 55.803 0.075 0.000 0.840 723 Q CB -0.370 28.427 28.738 0.098 0.000 0.898 723 Q HN 0.652 nan 8.270 nan 0.000 0.430 724 N N -0.333 118.403 118.700 0.061 0.000 2.166 724 N HA -0.091 4.646 4.740 -0.005 0.000 0.186 724 N C 1.140 176.664 175.510 0.022 0.000 1.019 724 N CA 1.082 54.147 53.050 0.024 0.000 0.856 724 N CB -0.036 38.461 38.487 0.016 0.000 0.993 724 N HN 0.322 nan 8.380 nan 0.000 0.426 725 L N 0.107 121.362 121.223 0.054 0.000 2.607 725 L HA 0.128 4.466 4.340 -0.005 0.000 0.228 725 L C 0.118 177.018 176.870 0.050 0.000 1.123 725 L CA -0.134 54.747 54.840 0.069 0.000 0.890 725 L CB -0.296 41.845 42.059 0.137 0.000 1.103 725 L HN 0.098 nan 8.230 nan 0.000 0.468 726 N N 1.604 120.326 118.700 0.037 0.000 2.714 726 N HA -0.217 4.520 4.740 -0.005 0.000 0.253 726 N C -0.512 175.007 175.510 0.015 0.000 1.024 726 N CA 0.777 53.844 53.050 0.028 0.000 0.726 726 N CB -1.029 37.475 38.487 0.029 0.000 0.908 726 N HN 0.599 nan 8.380 nan 0.000 0.542 727 I N -4.009 116.559 120.570 -0.003 0.000 3.322 727 I HA 0.649 4.816 4.170 -0.005 0.000 0.313 727 I C 0.408 176.488 176.117 -0.062 0.000 1.129 727 I CA -1.002 60.273 61.300 -0.041 0.000 0.963 727 I CB 1.748 39.696 38.000 -0.087 0.000 1.273 727 I HN 0.146 nan 8.210 nan 0.000 0.473 728 S N 1.388 117.034 115.700 -0.091 0.000 2.580 728 S HA 0.260 4.727 4.470 -0.005 0.000 0.274 728 S C 1.006 175.520 174.600 -0.142 0.000 1.329 728 S CA -0.528 57.614 58.200 -0.097 0.000 1.036 728 S CB 1.488 64.635 63.200 -0.089 0.000 0.919 728 S HN 0.885 nan 8.310 nan 0.000 0.515 729 R N 1.678 122.074 120.500 -0.172 0.000 2.105 729 R HA -0.164 4.173 4.340 -0.005 0.000 0.239 729 R C 2.060 178.239 176.300 -0.202 0.000 1.135 729 R CA 1.896 57.839 56.100 -0.261 0.000 0.967 729 R CB -0.512 29.494 30.300 -0.491 0.000 0.861 729 R HN 0.892 nan 8.270 nan 0.000 0.442 730 K N 0.644 120.948 120.400 -0.160 0.000 2.026 730 K HA -0.165 4.152 4.320 -0.005 0.000 0.208 730 K C 1.758 178.275 176.600 -0.137 0.000 1.048 730 K CA 1.882 58.098 56.287 -0.118 0.000 0.929 730 K CB -0.007 32.441 32.500 -0.087 0.000 0.713 730 K HN 0.306 nan 8.250 nan 0.000 0.439 731 E N -0.150 119.935 120.200 -0.191 0.000 2.106 731 E HA -0.143 4.204 4.350 -0.005 0.000 0.192 731 E C 1.932 178.240 176.600 -0.486 0.000 0.984 731 E CA 0.858 57.067 56.400 -0.318 0.000 0.806 731 E CB -0.054 29.438 29.700 -0.347 0.000 0.750 731 E HN 0.425 nan 8.360 nan 0.000 0.458 732 A N 1.484 124.102 122.820 -0.337 0.000 1.930 732 A HA -0.070 4.247 4.320 -0.005 0.000 0.217 732 A C 2.371 179.909 177.584 -0.076 0.000 1.175 732 A CA 1.500 53.402 52.037 -0.225 0.000 0.627 732 A CB -0.482 18.458 19.000 -0.100 0.000 0.815 732 A HN 0.282 nan 8.150 nan 0.000 0.443 733 A N -0.079 122.698 122.820 -0.072 0.000 1.930 733 A HA -0.145 4.172 4.320 -0.005 0.000 0.217 733 A C 1.889 179.505 177.584 0.052 0.000 1.175 733 A CA 1.528 53.571 52.037 0.010 0.000 0.627 733 A CB -0.467 18.533 19.000 0.001 0.000 0.815 733 A HN 0.632 nan 8.150 nan 0.000 0.443 734 E N -0.848 119.359 120.200 0.012 0.000 2.106 734 E HA -0.124 4.223 4.350 -0.005 0.000 0.192 734 E C 1.719 178.459 176.600 0.233 0.000 0.984 734 E CA 0.918 57.370 56.400 0.086 0.000 0.806 734 E CB -0.301 29.424 29.700 0.041 0.000 0.750 734 E HN 0.794 nan 8.360 nan 0.000 0.458 735 F N 0.731 120.707 119.950 0.044 0.000 2.102 735 F HA -0.216 4.308 4.527 -0.005 0.000 0.298 735 F C 2.326 178.116 175.800 -0.017 0.000 1.105 735 F CA 0.080 58.096 58.000 0.027 0.000 1.239 735 F CB -0.017 39.009 39.000 0.043 0.000 0.991 735 F HN 0.038 nan 8.300 nan 0.000 0.474 736 I N 0.584 121.250 120.570 0.161 0.000 2.179 736 I HA -0.298 3.869 4.170 -0.005 0.000 0.242 736 I C 2.340 178.421 176.117 -0.059 0.000 1.088 736 I CA 1.552 62.811 61.300 -0.068 0.000 1.357 736 I CB -1.446 36.533 38.000 -0.035 0.000 1.051 736 I HN 0.281 nan 8.210 nan 0.000 0.409 737 E N 0.973 121.252 120.200 0.132 0.000 2.085 737 E HA -0.284 4.063 4.350 -0.005 0.000 0.194 737 E C 2.340 179.047 176.600 0.178 0.000 0.994 737 E CA 1.319 57.852 56.400 0.221 0.000 0.801 737 E CB 0.038 29.846 29.700 0.180 0.000 0.743 737 E HN 0.148 nan 8.360 nan 0.000 0.453 738 R N -0.417 120.162 120.500 0.132 0.000 2.092 738 R HA -0.156 4.181 4.340 -0.005 0.000 0.231 738 R C 2.119 178.443 176.300 0.040 0.000 1.119 738 R CA 1.582 57.726 56.100 0.073 0.000 0.970 738 R CB -0.855 29.475 30.300 0.051 0.000 0.864 738 R HN 0.358 nan 8.270 nan 0.000 0.440 739 Y N -0.538 119.715 120.300 -0.078 0.000 2.145 739 Y HA -0.191 4.356 4.550 -0.005 0.000 0.286 739 Y C 1.466 177.425 175.900 0.099 0.000 1.145 739 Y CA 1.671 59.746 58.100 -0.040 0.000 1.148 739 Y CB -0.293 38.043 38.460 -0.207 0.000 0.981 739 Y HN 0.005 nan 8.280 nan 0.000 0.507 740 F N 0.847 120.999 119.950 0.337 0.000 2.293 740 F HA -0.114 4.410 4.527 -0.005 0.000 0.300 740 F C 2.215 178.056 175.800 0.067 0.000 1.086 740 F CA 1.345 59.486 58.000 0.235 0.000 1.375 740 F CB -0.734 38.391 39.000 0.208 0.000 1.045 740 F HN 0.196 nan 8.300 nan 0.000 0.516 741 E N -0.726 119.580 120.200 0.177 0.000 2.152 741 E HA -0.105 4.242 4.350 -0.005 0.000 0.192 741 E C 2.181 178.720 176.600 -0.101 0.000 0.983 741 E CA 1.247 57.673 56.400 0.044 0.000 0.818 741 E CB -0.149 29.566 29.700 0.025 0.000 0.758 741 E HN 0.224 nan 8.360 nan 0.000 0.467 742 S N 0.009 115.560 115.700 -0.248 0.000 2.446 742 S HA 0.045 4.512 4.470 -0.005 0.000 0.225 742 S C 0.292 174.342 174.600 -0.917 0.000 1.016 742 S CA 0.498 58.329 58.200 -0.614 0.000 0.943 742 S CB 0.194 62.897 63.200 -0.829 0.000 0.786 742 S HN 0.107 nan 8.310 nan 0.000 0.508 743 F N 1.510 121.330 119.950 -0.218 0.000 2.523 743 F HA 0.355 4.879 4.527 -0.005 0.000 0.322 743 F C -1.902 173.934 175.800 0.059 0.000 1.361 743 F CA -2.321 55.595 58.000 -0.139 0.000 1.151 743 F CB 1.108 39.913 39.000 -0.325 0.000 1.391 743 F HN -0.030 nan 8.300 nan 0.000 0.566 744 P HA -0.154 nan 4.420 nan 0.000 0.219 744 P C 1.699 179.077 177.300 0.130 0.000 1.146 744 P CA 1.530 64.703 63.100 0.122 0.000 0.808 744 P CB 0.336 32.062 31.700 0.044 0.000 0.779 745 G N 0.293 109.180 108.800 0.145 0.000 2.408 745 G HA2 -0.174 3.784 3.960 -0.005 0.000 0.217 745 G HA3 -0.174 3.784 3.960 -0.005 0.000 0.217 745 G C 1.717 176.732 174.900 0.192 0.000 1.150 745 G CA 0.559 45.739 45.100 0.134 0.000 0.776 745 G HN 0.186 nan 8.290 nan 0.000 0.542 746 V N 0.714 120.797 119.914 0.281 0.000 2.427 746 V HA -0.123 3.994 4.120 -0.005 0.000 0.248 746 V C 2.652 178.948 176.094 0.338 0.000 1.051 746 V CA 2.122 64.644 62.300 0.370 0.000 1.048 746 V CB -0.329 31.799 31.823 0.509 0.000 0.666 746 V HN 0.409 nan 8.190 nan 0.000 0.456 747 K N 0.405 120.944 120.400 0.231 0.000 2.026 747 K HA -0.237 4.080 4.320 -0.005 0.000 0.208 747 K C 2.422 178.929 176.600 -0.156 0.000 1.048 747 K CA 1.803 57.948 56.287 -0.236 0.000 0.929 747 K CB -0.186 32.157 32.500 -0.261 0.000 0.713 747 K HN 0.321 nan 8.250 nan 0.000 0.439 748 R N -0.323 120.166 120.500 -0.019 0.000 2.081 748 R HA -0.214 4.124 4.340 -0.005 0.000 0.235 748 R C 2.363 178.661 176.300 -0.003 0.000 1.131 748 R CA 1.768 57.857 56.100 -0.018 0.000 0.960 748 R CB -0.482 29.831 30.300 0.022 0.000 0.856 748 R HN 0.360 nan 8.270 nan 0.000 0.436 749 Y N 0.745 121.030 120.300 -0.026 0.000 2.145 749 Y HA -0.200 4.347 4.550 -0.005 0.000 0.286 749 Y C 2.069 177.947 175.900 -0.037 0.000 1.145 749 Y CA 1.714 59.802 58.100 -0.021 0.000 1.148 749 Y CB -0.150 38.315 38.460 0.009 0.000 0.981 749 Y HN 0.001 nan 8.280 nan 0.000 0.507 750 M N 0.579 120.021 119.600 -0.262 0.000 2.117 750 M HA -0.199 4.278 4.480 -0.005 0.000 0.262 750 M C 1.936 178.045 176.300 -0.318 0.000 1.065 750 M CA 1.813 56.909 55.300 -0.341 0.000 1.114 750 M CB -1.126 31.407 32.600 -0.110 0.000 1.361 750 M HN 0.447 nan 8.290 nan 0.000 0.408 751 E N 0.020 120.070 120.200 -0.249 0.000 2.047 751 E HA -0.149 4.198 4.350 -0.005 0.000 0.191 751 E C 1.833 178.321 176.600 -0.186 0.000 0.987 751 E CA 0.905 57.190 56.400 -0.192 0.000 0.799 751 E CB -0.163 29.444 29.700 -0.155 0.000 0.752 751 E HN 0.492 nan 8.360 nan 0.000 0.449 752 N N 0.972 119.555 118.700 -0.195 0.000 2.188 752 N HA -0.126 4.611 4.740 -0.005 0.000 0.184 752 N C 1.814 177.197 175.510 -0.212 0.000 1.018 752 N CA 0.656 53.607 53.050 -0.165 0.000 0.858 752 N CB -0.165 38.257 38.487 -0.108 0.000 0.989 752 N HN 0.102 nan 8.380 nan 0.000 0.426 753 I N 0.606 120.961 120.570 -0.359 0.000 2.394 753 I HA -0.125 4.042 4.170 -0.005 0.000 0.251 753 I C 1.827 177.796 176.117 -0.247 0.000 1.136 753 I CA 0.683 61.773 61.300 -0.350 0.000 1.425 753 I CB -0.106 37.522 38.000 -0.621 0.000 1.079 753 I HN -0.161 nan 8.210 nan 0.000 0.425 754 V N -0.036 119.737 119.914 -0.235 0.000 2.358 754 V HA -0.276 3.841 4.120 -0.005 0.000 0.246 754 V C 2.465 178.480 176.094 -0.131 0.000 1.047 754 V CA 1.794 63.995 62.300 -0.165 0.000 1.035 754 V CB -0.670 31.068 31.823 -0.142 0.000 0.658 754 V HN 0.418 nan 8.190 nan 0.000 0.452 755 Q N 0.272 119.995 119.800 -0.129 0.000 2.084 755 Q HA -0.219 4.118 4.340 -0.005 0.000 0.202 755 Q C 2.225 178.161 176.000 -0.107 0.000 0.978 755 Q CA 2.153 57.896 55.803 -0.100 0.000 0.844 755 Q CB -0.317 28.367 28.738 -0.090 0.000 0.898 755 Q HN 0.756 nan 8.270 nan 0.000 0.426 756 E N -1.067 119.054 120.200 -0.131 0.000 2.106 756 E HA -0.177 4.171 4.350 -0.005 0.000 0.192 756 E C 1.700 178.192 176.600 -0.181 0.000 0.984 756 E CA 0.954 57.264 56.400 -0.149 0.000 0.806 756 E CB -0.175 29.433 29.700 -0.154 0.000 0.750 756 E HN 0.390 nan 8.360 nan 0.000 0.458 757 A N 1.398 124.119 122.820 -0.164 0.000 1.933 757 A HA -0.206 4.111 4.320 -0.005 0.000 0.218 757 A C 2.122 179.645 177.584 -0.101 0.000 1.175 757 A CA 1.705 53.653 52.037 -0.149 0.000 0.628 757 A CB -0.444 18.487 19.000 -0.115 0.000 0.814 757 A HN 0.212 nan 8.150 nan 0.000 0.444 758 K N -0.871 119.478 120.400 -0.084 0.000 2.057 758 K HA -0.166 4.151 4.320 -0.005 0.000 0.206 758 K C 2.392 178.963 176.600 -0.048 0.000 1.050 758 K CA 1.377 57.634 56.287 -0.051 0.000 0.935 758 K CB -0.158 32.313 32.500 -0.047 0.000 0.715 758 K HN 0.540 nan 8.250 nan 0.000 0.439 759 Q N 1.057 120.815 119.800 -0.071 0.000 2.046 759 Q HA -0.159 4.178 4.340 -0.005 0.000 0.200 759 Q C 1.435 177.395 176.000 -0.068 0.000 0.975 759 Q CA 1.704 57.469 55.803 -0.063 0.000 0.836 759 Q CB 0.165 28.860 28.738 -0.072 0.000 0.896 759 Q HN 0.262 nan 8.270 nan 0.000 0.428 760 K N -1.562 118.751 120.400 -0.145 0.000 2.262 760 K HA 0.087 4.405 4.320 -0.005 0.000 0.200 760 K C 1.127 177.693 176.600 -0.057 0.000 1.049 760 K CA 0.641 56.811 56.287 -0.194 0.000 0.979 760 K CB 0.439 32.604 32.500 -0.558 0.000 0.773 760 K HN 0.447 nan 8.250 nan 0.000 0.474 761 G N 0.977 109.754 108.800 -0.038 0.000 2.176 761 G HA2 -0.259 3.698 3.960 -0.005 0.000 0.232 761 G HA3 -0.259 3.698 3.960 -0.005 0.000 0.232 761 G C -0.175 174.889 174.900 0.274 0.000 0.986 761 G CA 0.492 45.693 45.100 0.168 0.000 0.643 761 G HN 0.380 nan 8.290 nan 0.000 0.522 762 Y N -2.007 118.290 120.300 -0.005 0.000 2.689 762 Y HA 0.733 5.280 4.550 -0.004 0.000 0.333 762 Y C -0.325 175.498 175.900 -0.129 0.000 1.208 762 Y CA -1.255 56.759 58.100 -0.142 0.000 1.055 762 Y CB 0.820 38.989 38.460 -0.484 0.000 1.304 762 Y HN 0.983 nan 8.280 nan 0.000 0.455 763 V N -0.840 119.068 119.914 -0.011 0.000 3.046 763 V HA 1.008 5.125 4.120 -0.005 0.000 0.316 763 V C -0.386 175.759 176.094 0.085 0.000 1.104 763 V CA -0.226 62.050 62.300 -0.040 0.000 1.006 763 V CB 1.319 33.115 31.823 -0.045 0.000 1.058 763 V HN 1.394 nan 8.190 nan 0.000 0.440 764 T N -0.902 113.695 114.554 0.071 0.000 2.901 764 T HA 0.811 5.158 4.350 -0.005 0.000 0.293 764 T C -0.037 174.690 174.700 0.045 0.000 1.084 764 T CA 0.023 62.176 62.100 0.088 0.000 1.008 764 T CB 1.722 70.689 68.868 0.164 0.000 1.170 764 T HN 1.486 nan 8.240 nan 0.000 0.509 765 T N -0.527 114.036 114.554 0.015 0.000 2.922 765 T HA 0.490 4.838 4.350 -0.005 0.000 0.281 765 T C 1.259 175.912 174.700 -0.079 0.000 1.005 765 T CA -0.786 61.297 62.100 -0.027 0.000 0.982 765 T CB 0.920 69.760 68.868 -0.046 0.000 1.158 765 T HN 0.522 nan 8.240 nan 0.000 0.566 766 L N 0.107 121.266 121.223 -0.106 0.000 2.043 766 L HA 0.094 4.431 4.340 -0.005 0.000 0.212 766 L C 1.772 178.450 176.870 -0.321 0.000 1.075 766 L CA 1.782 56.525 54.840 -0.162 0.000 0.752 766 L CB -0.804 41.169 42.059 -0.143 0.000 0.891 766 L HN 0.700 nan 8.230 nan 0.000 0.432 767 L N -0.691 120.370 121.223 -0.271 0.000 2.728 767 L HA 0.144 4.481 4.340 -0.005 0.000 0.235 767 L C 0.130 176.838 176.870 -0.270 0.000 1.197 767 L CA -0.179 54.471 54.840 -0.318 0.000 0.992 767 L CB -0.520 41.456 42.059 -0.138 0.000 1.263 767 L HN 0.412 nan 8.230 nan 0.000 0.484 768 H N -1.360 117.703 119.070 -0.012 0.000 3.049 768 H HA -0.159 4.394 4.556 -0.005 0.000 0.250 768 H C 0.892 176.195 175.328 -0.042 0.000 1.219 768 H CA 0.402 56.441 56.048 -0.015 0.000 1.117 768 H CB -1.235 28.521 29.762 -0.011 0.000 1.251 768 H HN 0.440 nan 8.280 nan 0.000 0.338 769 R N 1.099 121.608 120.500 0.015 0.000 2.594 769 R HA 0.393 4.730 4.340 -0.005 0.000 0.272 769 R C 0.537 176.802 176.300 -0.058 0.000 1.074 769 R CA -0.175 55.900 56.100 -0.042 0.000 1.105 769 R CB 0.902 31.167 30.300 -0.058 0.000 1.008 769 R HN 0.285 nan 8.270 nan 0.000 0.472 770 R N 2.097 122.516 120.500 -0.135 0.000 2.750 770 R HA 0.371 4.708 4.340 -0.005 0.000 0.281 770 R C -1.284 174.882 176.300 -0.223 0.000 0.972 770 R CA -0.819 55.159 56.100 -0.204 0.000 0.912 770 R CB 1.429 31.476 30.300 -0.421 0.000 1.187 770 R HN 0.634 nan 8.270 nan 0.000 0.464 771 R N 3.480 123.864 120.500 -0.194 0.000 2.500 771 R HA 0.239 4.576 4.340 -0.005 0.000 0.299 771 R C -1.619 174.618 176.300 -0.105 0.000 1.038 771 R CA -0.523 55.509 56.100 -0.114 0.000 0.903 771 R CB 0.811 31.090 30.300 -0.036 0.000 1.177 771 R HN 0.537 nan 8.270 nan 0.000 0.455 772 Y N 4.115 124.461 120.300 0.076 0.000 2.309 772 Y HA 0.251 4.798 4.550 -0.004 0.000 0.327 772 Y C 0.405 176.350 175.900 0.074 0.000 1.172 772 Y CA -0.188 57.976 58.100 0.107 0.000 1.280 772 Y CB 1.127 39.627 38.460 0.067 0.000 1.234 772 Y HN 0.429 nan 8.280 nan 0.000 0.512 773 L N 6.254 127.606 121.223 0.216 0.000 2.637 773 L HA 0.259 4.597 4.340 -0.005 0.000 0.241 773 L C -1.704 175.230 176.870 0.106 0.000 1.398 773 L CA -1.301 53.609 54.840 0.117 0.000 0.895 773 L CB 1.090 43.171 42.059 0.036 0.000 1.183 773 L HN 0.510 nan 8.230 nan 0.000 0.497 774 P HA -0.161 nan 4.420 nan 0.000 0.219 774 P C 0.458 177.795 177.300 0.062 0.000 1.146 774 P CA 1.120 64.270 63.100 0.084 0.000 0.808 774 P CB 0.412 32.156 31.700 0.072 0.000 0.779 775 D N -0.468 119.973 120.400 0.068 0.000 2.378 775 D HA -0.054 4.583 4.640 -0.005 0.000 0.227 775 D C 1.713 178.033 176.300 0.033 0.000 1.012 775 D CA 0.221 54.256 54.000 0.058 0.000 0.905 775 D CB -0.649 40.204 40.800 0.088 0.000 0.895 775 D HN 0.164 nan 8.370 nan 0.000 0.532 776 I N 0.864 121.447 120.570 0.021 0.000 2.567 776 I HA -0.195 3.972 4.170 -0.005 0.000 0.257 776 I C 1.784 177.900 176.117 -0.002 0.000 1.184 776 I CA 1.238 62.535 61.300 -0.005 0.000 1.451 776 I CB -0.094 37.898 38.000 -0.015 0.000 1.089 776 I HN -0.029 nan 8.210 nan 0.000 0.441 777 T N -3.426 111.136 114.554 0.013 0.000 3.092 777 T HA 0.209 4.556 4.350 -0.005 0.000 0.258 777 T C 0.919 175.632 174.700 0.022 0.000 1.031 777 T CA 0.043 62.152 62.100 0.015 0.000 0.925 777 T CB -0.441 68.438 68.868 0.017 0.000 1.036 777 T HN 0.191 nan 8.240 nan 0.000 0.544 778 S N 0.903 116.618 115.700 0.024 0.000 2.562 778 S HA 0.261 4.728 4.470 -0.005 0.000 0.281 778 S C 1.019 175.642 174.600 0.039 0.000 1.333 778 S CA -0.564 57.654 58.200 0.031 0.000 1.052 778 S CB 0.598 63.818 63.200 0.033 0.000 0.884 778 S HN 0.341 nan 8.310 nan 0.000 0.506 779 R N 2.354 122.882 120.500 0.046 0.000 2.320 779 R HA 0.243 4.581 4.340 -0.005 0.000 0.211 779 R C 0.280 176.630 176.300 0.082 0.000 0.931 779 R CA 0.025 56.161 56.100 0.061 0.000 1.071 779 R CB -0.200 30.130 30.300 0.050 0.000 1.025 779 R HN 0.517 nan 8.270 nan 0.000 0.495 780 N N 0.590 119.335 118.700 0.075 0.000 2.439 780 N HA -0.053 4.684 4.740 -0.005 0.000 0.249 780 N C 0.453 176.034 175.510 0.117 0.000 1.003 780 N CA -0.075 53.031 53.050 0.094 0.000 0.942 780 N CB 0.365 38.890 38.487 0.063 0.000 1.115 780 N HN -0.030 nan 8.380 nan 0.000 0.505 781 F N 5.448 125.413 119.950 0.026 0.000 2.063 781 F HA -0.319 4.205 4.527 -0.004 0.000 0.298 781 F C 1.708 177.530 175.800 0.037 0.000 1.105 781 F CA 1.880 59.899 58.000 0.032 0.000 1.215 781 F CB -0.089 38.928 39.000 0.029 0.000 0.972 781 F HN 0.542 nan 8.300 nan 0.000 0.483 782 N N 0.298 119.034 118.700 0.059 0.000 2.084 782 N HA -0.162 4.575 4.740 -0.005 0.000 0.190 782 N C 2.064 177.547 175.510 -0.045 0.000 1.030 782 N CA 1.830 54.856 53.050 -0.039 0.000 0.849 782 N CB -0.864 37.641 38.487 0.031 0.000 1.012 782 N HN 0.281 nan 8.380 nan 0.000 0.423 783 V N 1.511 121.425 119.914 -0.001 0.000 2.295 783 V HA -0.178 3.939 4.120 -0.005 0.000 0.246 783 V C 2.596 178.711 176.094 0.036 0.000 1.049 783 V CA 1.492 63.816 62.300 0.039 0.000 1.024 783 V CB -0.457 31.390 31.823 0.040 0.000 0.648 783 V HN 0.284 nan 8.190 nan 0.000 0.447 784 R N 0.007 120.486 120.500 -0.035 0.000 2.066 784 R HA -0.145 4.192 4.340 -0.005 0.000 0.232 784 R C 2.536 178.759 176.300 -0.127 0.000 1.131 784 R CA 1.835 57.897 56.100 -0.065 0.000 0.955 784 R CB -0.327 29.931 30.300 -0.071 0.000 0.851 784 R HN 0.495 nan 8.270 nan 0.000 0.432 785 S N 0.495 116.033 115.700 -0.270 0.000 2.359 785 S HA -0.191 4.276 4.470 -0.005 0.000 0.224 785 S C 1.465 176.008 174.600 -0.094 0.000 1.035 785 S CA 1.540 59.564 58.200 -0.293 0.000 1.018 785 S CB -0.470 62.408 63.200 -0.538 0.000 0.876 785 S HN 0.406 nan 8.310 nan 0.000 0.448 786 F N 2.535 122.405 119.950 -0.132 0.000 2.134 786 F HA -0.096 4.428 4.527 -0.005 0.000 0.299 786 F C 2.306 178.081 175.800 -0.041 0.000 1.097 786 F CA 0.958 58.921 58.000 -0.062 0.000 1.264 786 F CB -0.818 38.158 39.000 -0.041 0.000 1.001 786 F HN 0.168 nan 8.300 nan 0.000 0.479 787 A N 0.122 122.873 122.820 -0.115 0.000 1.933 787 A HA -0.200 4.118 4.320 -0.005 0.000 0.218 787 A C 2.121 179.580 177.584 -0.208 0.000 1.175 787 A CA 1.857 53.788 52.037 -0.175 0.000 0.628 787 A CB -0.840 18.141 19.000 -0.031 0.000 0.814 787 A HN 0.578 nan 8.150 nan 0.000 0.444 788 E N -0.509 119.593 120.200 -0.164 0.000 2.106 788 E HA -0.159 4.188 4.350 -0.005 0.000 0.192 788 E C 2.275 178.777 176.600 -0.163 0.000 0.984 788 E CA 0.904 57.218 56.400 -0.144 0.000 0.806 788 E CB -0.187 29.445 29.700 -0.114 0.000 0.750 788 E HN 0.525 nan 8.360 nan 0.000 0.458 789 R N 0.041 120.423 120.500 -0.197 0.000 2.115 789 R HA -0.026 4.311 4.340 -0.005 0.000 0.230 789 R C 2.192 178.352 176.300 -0.234 0.000 1.111 789 R CA 0.935 56.930 56.100 -0.174 0.000 0.976 789 R CB -0.052 30.167 30.300 -0.136 0.000 0.870 789 R HN 0.182 nan 8.270 nan 0.000 0.445 790 M N -0.255 119.110 119.600 -0.392 0.000 2.319 790 M HA 0.014 4.492 4.480 -0.005 0.000 0.265 790 M C 2.293 178.489 176.300 -0.174 0.000 1.068 790 M CA 0.985 56.089 55.300 -0.328 0.000 1.118 790 M CB -0.765 31.561 32.600 -0.457 0.000 1.395 790 M HN 0.119 nan 8.290 nan 0.000 0.435 791 A N 0.173 122.895 122.820 -0.164 0.000 1.930 791 A HA -0.112 4.205 4.320 -0.005 0.000 0.217 791 A C 2.237 179.760 177.584 -0.101 0.000 1.175 791 A CA 1.335 53.299 52.037 -0.122 0.000 0.627 791 A CB -0.441 18.477 19.000 -0.137 0.000 0.815 791 A HN 0.457 nan 8.150 nan 0.000 0.443 792 M N -0.853 118.685 119.600 -0.103 0.000 2.156 792 M HA -0.079 4.398 4.480 -0.005 0.000 0.264 792 M C 2.160 178.513 176.300 0.087 0.000 1.067 792 M CA 1.496 56.772 55.300 -0.041 0.000 1.131 792 M CB -0.370 32.213 32.600 -0.028 0.000 1.368 792 M HN 0.588 nan 8.290 nan 0.000 0.416 793 N N -0.393 118.310 118.700 0.006 0.000 2.333 793 N HA -0.077 4.661 4.740 -0.005 0.000 0.178 793 N C 1.309 176.813 175.510 -0.010 0.000 1.018 793 N CA 1.201 54.249 53.050 -0.003 0.000 0.882 793 N CB 0.225 38.690 38.487 -0.037 0.000 0.984 793 N HN 0.210 nan 8.380 nan 0.000 0.434 794 T N 1.599 116.142 114.554 -0.018 0.000 2.746 794 T HA -0.035 4.312 4.350 -0.005 0.000 0.267 794 T C -1.060 173.639 174.700 -0.002 0.000 1.039 794 T CA 1.015 63.106 62.100 -0.015 0.000 1.142 794 T CB -0.932 67.922 68.868 -0.023 0.000 0.866 794 T HN 0.370 nan 8.240 nan 0.000 0.444 795 P HA 0.075 nan 4.420 nan 0.000 0.220 795 P C 1.231 178.521 177.300 -0.016 0.000 1.148 795 P CA 0.775 63.896 63.100 0.035 0.000 0.803 795 P CB -0.111 31.666 31.700 0.129 0.000 0.782 796 I N -1.143 119.412 120.570 -0.026 0.000 2.188 796 I HA -0.188 3.980 4.170 -0.005 0.000 0.237 796 I C 2.499 178.554 176.117 -0.104 0.000 1.073 796 I CA 1.196 62.443 61.300 -0.090 0.000 1.359 796 I CB -0.771 37.171 38.000 -0.098 0.000 1.083 796 I HN -0.105 nan 8.210 nan 0.000 0.412 797 Q N 0.835 120.581 119.800 -0.091 0.000 2.084 797 Q HA -0.140 4.198 4.340 -0.005 0.000 0.202 797 Q C 2.306 178.272 176.000 -0.057 0.000 0.978 797 Q CA 1.844 57.595 55.803 -0.087 0.000 0.844 797 Q CB -0.477 28.223 28.738 -0.062 0.000 0.898 797 Q HN 0.647 nan 8.270 nan 0.000 0.426 798 G N 0.248 109.024 108.800 -0.040 0.000 2.408 798 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.217 798 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.217 798 G C 1.599 176.469 174.900 -0.051 0.000 1.150 798 G CA 0.893 45.976 45.100 -0.028 0.000 0.776 798 G HN 0.260 nan 8.290 nan 0.000 0.542 799 S N 0.937 116.593 115.700 -0.074 0.000 2.383 799 S HA 0.048 4.515 4.470 -0.005 0.000 0.227 799 S C 2.754 177.273 174.600 -0.135 0.000 1.026 799 S CA 1.036 59.174 58.200 -0.104 0.000 0.981 799 S CB -0.267 62.867 63.200 -0.111 0.000 0.818 799 S HN 0.565 nan 8.310 nan 0.000 0.472 800 A N 1.519 124.254 122.820 -0.142 0.000 1.933 800 A HA 0.141 4.459 4.320 -0.005 0.000 0.218 800 A C 2.319 179.830 177.584 -0.123 0.000 1.175 800 A CA 1.594 53.522 52.037 -0.182 0.000 0.628 800 A CB -0.945 17.953 19.000 -0.170 0.000 0.814 800 A HN 0.501 nan 8.150 nan 0.000 0.444 801 A N 0.188 122.973 122.820 -0.058 0.000 1.898 801 A HA -0.165 4.153 4.320 -0.005 0.000 0.216 801 A C 1.766 179.338 177.584 -0.019 0.000 1.181 801 A CA 1.816 53.851 52.037 -0.004 0.000 0.620 801 A CB -0.570 18.450 19.000 0.034 0.000 0.819 801 A HN 0.448 nan 8.150 nan 0.000 0.442 802 D N 0.226 120.599 120.400 -0.045 0.000 2.104 802 D HA -0.149 4.489 4.640 -0.005 0.000 0.194 802 D C 1.856 178.118 176.300 -0.063 0.000 0.994 802 D CA 1.344 55.314 54.000 -0.050 0.000 0.830 802 D CB -0.409 40.345 40.800 -0.077 0.000 0.959 802 D HN 0.535 nan 8.370 nan 0.000 0.452 803 I N 0.650 121.155 120.570 -0.108 0.000 2.179 803 I HA -0.220 3.947 4.170 -0.005 0.000 0.242 803 I C 2.561 178.648 176.117 -0.049 0.000 1.088 803 I CA 0.725 61.949 61.300 -0.128 0.000 1.357 803 I CB -0.120 37.721 38.000 -0.265 0.000 1.051 803 I HN -0.041 nan 8.210 nan 0.000 0.409 804 I N 0.696 121.250 120.570 -0.026 0.000 2.394 804 I HA -0.270 3.897 4.170 -0.005 0.000 0.251 804 I C 2.433 178.587 176.117 0.061 0.000 1.136 804 I CA 1.451 62.821 61.300 0.116 0.000 1.425 804 I CB -0.099 38.000 38.000 0.166 0.000 1.079 804 I HN 0.143 nan 8.210 nan 0.000 0.425 805 K N 0.536 120.946 120.400 0.018 0.000 2.057 805 K HA -0.245 4.072 4.320 -0.005 0.000 0.207 805 K C 2.165 178.765 176.600 -0.001 0.000 1.049 805 K CA 1.485 57.773 56.287 0.001 0.000 0.931 805 K CB -0.157 32.343 32.500 -0.000 0.000 0.714 805 K HN 0.239 nan 8.250 nan 0.000 0.440 806 K N 0.888 121.286 120.400 -0.003 0.000 2.097 806 K HA -0.103 4.215 4.320 -0.005 0.000 0.205 806 K C 2.067 178.672 176.600 0.008 0.000 1.050 806 K CA 1.115 57.399 56.287 -0.006 0.000 0.938 806 K CB -0.056 32.433 32.500 -0.018 0.000 0.718 806 K HN 0.114 nan 8.250 nan 0.000 0.442 807 A N 1.123 123.965 122.820 0.036 0.000 1.933 807 A HA -0.168 4.149 4.320 -0.005 0.000 0.218 807 A C 2.088 179.683 177.584 0.018 0.000 1.175 807 A CA 1.669 53.738 52.037 0.053 0.000 0.628 807 A CB -0.449 18.635 19.000 0.140 0.000 0.814 807 A HN 0.348 nan 8.150 nan 0.000 0.444 808 M N -0.830 118.777 119.600 0.012 0.000 2.117 808 M HA -0.074 4.403 4.480 -0.005 0.000 0.262 808 M C 2.057 178.347 176.300 -0.018 0.000 1.065 808 M CA 1.463 56.756 55.300 -0.011 0.000 1.114 808 M CB -0.483 32.099 32.600 -0.029 0.000 1.361 808 M HN 0.388 nan 8.290 nan 0.000 0.408 809 I N 0.178 120.738 120.570 -0.016 0.000 2.202 809 I HA -0.291 3.876 4.170 -0.005 0.000 0.242 809 I C 1.858 177.964 176.117 -0.019 0.000 1.091 809 I CA 1.158 62.447 61.300 -0.018 0.000 1.368 809 I CB -0.538 37.452 38.000 -0.017 0.000 1.058 809 I HN 0.238 nan 8.210 nan 0.000 0.410 810 D N 0.648 121.038 120.400 -0.017 0.000 2.144 810 D HA -0.169 4.468 4.640 -0.005 0.000 0.199 810 D C 1.996 178.277 176.300 -0.030 0.000 0.984 810 D CA 1.088 55.076 54.000 -0.021 0.000 0.834 810 D CB -0.291 40.500 40.800 -0.016 0.000 0.955 810 D HN 0.164 nan 8.370 nan 0.000 0.465 811 L N 1.097 122.301 121.223 -0.031 0.000 2.017 811 L HA -0.115 4.222 4.340 -0.005 0.000 0.208 811 L C 1.562 178.405 176.870 -0.046 0.000 1.073 811 L CA 1.689 56.501 54.840 -0.047 0.000 0.745 811 L CB -0.733 41.298 42.059 -0.046 0.000 0.894 811 L HN -0.141 nan 8.230 nan 0.000 0.432 812 N N -0.139 118.542 118.700 -0.032 0.000 2.166 812 N HA -0.098 4.639 4.740 -0.005 0.000 0.186 812 N C 1.802 177.294 175.510 -0.029 0.000 1.019 812 N CA 1.408 54.444 53.050 -0.024 0.000 0.856 812 N CB -0.370 38.108 38.487 -0.014 0.000 0.993 812 N HN 0.534 nan 8.380 nan 0.000 0.426 813 A N 0.784 123.585 122.820 -0.030 0.000 1.898 813 A HA -0.078 4.239 4.320 -0.005 0.000 0.216 813 A C 2.152 179.713 177.584 -0.039 0.000 1.181 813 A CA 1.059 53.078 52.037 -0.031 0.000 0.620 813 A CB -0.194 18.789 19.000 -0.028 0.000 0.819 813 A HN 0.077 nan 8.150 nan 0.000 0.442 814 R N -0.245 120.227 120.500 -0.047 0.000 2.075 814 R HA 0.011 4.348 4.340 -0.005 0.000 0.232 814 R C 2.069 178.328 176.300 -0.069 0.000 1.126 814 R CA 1.125 57.190 56.100 -0.059 0.000 0.963 814 R CB -1.116 29.143 30.300 -0.069 0.000 0.858 814 R HN 0.598 nan 8.270 nan 0.000 0.435 815 L N 0.731 121.911 121.223 -0.072 0.000 2.079 815 L HA -0.169 4.169 4.340 -0.005 0.000 0.210 815 L C 2.660 179.495 176.870 -0.059 0.000 1.081 815 L CA 1.428 56.220 54.840 -0.080 0.000 0.752 815 L CB -0.413 41.603 42.059 -0.072 0.000 0.896 815 L HN 0.183 nan 8.230 nan 0.000 0.433 816 K N 0.510 120.885 120.400 -0.042 0.000 2.031 816 K HA -0.170 4.147 4.320 -0.005 0.000 0.205 816 K C 1.915 178.493 176.600 -0.037 0.000 1.049 816 K CA 1.330 57.598 56.287 -0.032 0.000 0.939 816 K CB 0.056 32.541 32.500 -0.024 0.000 0.717 816 K HN 0.328 nan 8.250 nan 0.000 0.438 817 E N 0.313 120.489 120.200 -0.041 0.000 2.110 817 E HA -0.159 4.188 4.350 -0.005 0.000 0.193 817 E C 1.538 178.110 176.600 -0.047 0.000 0.988 817 E CA 0.819 57.194 56.400 -0.041 0.000 0.804 817 E CB 0.100 29.775 29.700 -0.041 0.000 0.745 817 E HN 0.291 nan 8.360 nan 0.000 0.458 818 E N 0.290 120.454 120.200 -0.060 0.000 2.502 818 E HA -0.017 4.331 4.350 -0.005 0.000 0.194 818 E C 0.041 176.599 176.600 -0.070 0.000 1.062 818 E CA 0.064 56.422 56.400 -0.070 0.000 0.867 818 E CB 0.275 29.920 29.700 -0.092 0.000 0.888 818 E HN 0.094 nan 8.360 nan 0.000 0.510 819 R N -0.451 120.014 120.500 -0.058 0.000 3.641 819 R HA -0.190 4.147 4.340 -0.005 0.000 0.286 819 R C -0.126 176.134 176.300 -0.067 0.000 1.153 819 R CA 0.372 56.442 56.100 -0.051 0.000 0.775 819 R CB -3.096 27.178 30.300 -0.044 0.000 1.215 819 R HN 0.213 nan 8.270 nan 0.000 0.474 820 L N 0.443 121.613 121.223 -0.089 0.000 2.375 820 L HA 0.142 4.479 4.340 -0.005 0.000 0.271 820 L C 2.006 178.811 176.870 -0.108 0.000 1.107 820 L CA -0.115 54.647 54.840 -0.130 0.000 0.806 820 L CB 0.649 42.605 42.059 -0.173 0.000 1.146 820 L HN 0.099 nan 8.230 nan 0.000 0.447 821 Q N 1.656 121.363 119.800 -0.156 0.000 2.398 821 Q HA 0.143 4.480 4.340 -0.005 0.000 0.204 821 Q C 0.597 176.497 176.000 -0.166 0.000 0.932 821 Q CA -0.028 55.719 55.803 -0.092 0.000 0.916 821 Q CB 0.298 28.975 28.738 -0.103 0.000 1.024 821 Q HN 0.779 nan 8.270 nan 0.000 0.504 822 A N 2.499 125.128 122.820 -0.318 0.000 2.561 822 A HA 0.012 4.329 4.320 -0.005 0.000 0.234 822 A C -0.122 177.380 177.584 -0.137 0.000 1.055 822 A CA 0.427 52.252 52.037 -0.354 0.000 0.756 822 A CB -0.177 18.617 19.000 -0.342 0.000 0.986 822 A HN 0.433 nan 8.150 nan 0.000 0.505 823 H N 0.012 119.087 119.070 0.008 0.000 3.012 823 H HA 0.539 5.092 4.556 -0.004 0.000 0.367 823 H C -1.408 173.942 175.328 0.037 0.000 1.211 823 H CA -1.195 54.874 56.048 0.035 0.000 1.139 823 H CB 0.678 30.493 29.762 0.088 0.000 1.838 823 H HN 0.498 nan 8.280 nan 0.000 0.550 824 L N 2.046 123.397 121.223 0.214 0.000 2.426 824 L HA 0.042 4.379 4.340 -0.005 0.000 0.271 824 L C 0.902 177.880 176.870 0.179 0.000 1.169 824 L CA -0.136 54.784 54.840 0.133 0.000 0.836 824 L CB 0.654 42.748 42.059 0.059 0.000 1.112 824 L HN 0.584 nan 8.230 nan 0.000 0.465 825 L N 3.306 124.601 121.223 0.121 0.000 2.586 825 L HA 0.345 4.682 4.340 -0.005 0.000 0.204 825 L C -0.065 176.869 176.870 0.107 0.000 1.053 825 L CA 0.185 55.090 54.840 0.108 0.000 0.856 825 L CB 0.417 42.507 42.059 0.053 0.000 1.192 825 L HN 0.412 nan 8.230 nan 0.000 0.484 826 L N -0.607 120.638 121.223 0.036 0.000 2.409 826 L HA 0.505 4.842 4.340 -0.005 0.000 0.255 826 L C -1.140 175.731 176.870 0.002 0.000 1.027 826 L CA -0.593 54.309 54.840 0.103 0.000 0.834 826 L CB 2.187 44.230 42.059 -0.027 0.000 1.426 826 L HN -0.114 nan 8.230 nan 0.000 0.411 827 Q N 1.545 121.339 119.800 -0.010 0.000 2.310 827 Q HA 0.452 4.789 4.340 -0.005 0.000 0.270 827 Q C -1.718 174.273 176.000 -0.016 0.000 1.025 827 Q CA -0.422 55.331 55.803 -0.084 0.000 0.772 827 Q CB 2.432 31.013 28.738 -0.262 0.000 1.253 827 Q HN 0.467 nan 8.270 nan 0.000 0.450 828 V N 6.831 126.744 119.914 -0.001 0.000 2.326 828 V HA 0.235 4.353 4.120 -0.005 0.000 0.254 828 V C 0.406 176.482 176.094 -0.031 0.000 1.022 828 V CA -0.314 61.948 62.300 -0.064 0.000 1.074 828 V CB -0.163 31.729 31.823 0.114 0.000 1.305 828 V HN 0.896 nan 8.190 nan 0.000 0.506 829 H N 2.195 121.351 119.070 0.144 0.000 5.009 829 H HA -0.232 4.321 4.556 -0.005 0.000 0.059 829 H C 1.346 176.753 175.328 0.131 0.000 0.567 829 H CA 2.396 58.523 56.048 0.130 0.000 0.993 829 H CB -0.900 28.951 29.762 0.149 0.000 0.557 829 H HN 0.833 nan 8.280 nan 0.000 0.791 830 D N 1.391 121.963 120.400 0.286 0.000 2.513 830 D HA 0.252 4.889 4.640 -0.005 0.000 0.222 830 D C 0.320 176.782 176.300 0.269 0.000 1.210 830 D CA 0.175 54.349 54.000 0.289 0.000 0.825 830 D CB 0.762 41.711 40.800 0.247 0.000 1.037 830 D HN 0.581 nan 8.370 nan 0.000 0.506 831 E N 0.445 120.757 120.200 0.188 0.000 2.266 831 E HA 0.540 4.887 4.350 -0.005 0.000 0.268 831 E C -1.288 175.363 176.600 0.085 0.000 0.879 831 E CA -0.805 55.673 56.400 0.130 0.000 0.762 831 E CB 1.898 31.692 29.700 0.157 0.000 1.199 831 E HN 0.018 nan 8.360 nan 0.000 0.422 832 L N 4.534 125.791 121.223 0.057 0.000 2.341 832 L HA 0.525 4.862 4.340 -0.005 0.000 0.278 832 L C -0.882 176.017 176.870 0.048 0.000 1.005 832 L CA -1.012 53.849 54.840 0.036 0.000 0.818 832 L CB 1.456 43.529 42.059 0.024 0.000 1.259 832 L HN 0.516 nan 8.230 nan 0.000 0.418 833 I N 4.052 124.620 120.570 -0.004 0.000 2.406 833 I HA 0.498 4.665 4.170 -0.005 0.000 0.290 833 I C -0.465 175.651 176.117 -0.001 0.000 0.999 833 I CA -0.051 61.220 61.300 -0.048 0.000 1.124 833 I CB 1.708 39.529 38.000 -0.299 0.000 1.289 833 I HN 0.296 nan 8.210 nan 0.000 0.441 834 L N 5.434 126.700 121.223 0.072 0.000 2.257 834 L HA 0.743 5.080 4.340 -0.005 0.000 0.257 834 L C -0.357 176.559 176.870 0.075 0.000 1.033 834 L CA -0.653 54.230 54.840 0.071 0.000 0.835 834 L CB 1.633 43.713 42.059 0.037 0.000 1.398 834 L HN 0.694 nan 8.230 nan 0.000 0.429 835 E N 0.206 120.419 120.200 0.022 0.000 2.367 835 E HA 0.934 5.282 4.350 -0.005 0.000 0.273 835 E C -1.525 174.995 176.600 -0.132 0.000 0.903 835 E CA -1.130 55.311 56.400 0.068 0.000 0.764 835 E CB 2.618 32.444 29.700 0.210 0.000 1.252 835 E HN 0.738 nan 8.360 nan 0.000 0.446 836 A N 2.021 124.699 122.820 -0.236 0.000 2.586 836 A HA 0.600 4.918 4.320 -0.005 0.000 0.291 836 A C -2.980 173.914 177.584 -1.149 0.000 1.062 836 A CA -1.419 50.066 52.037 -0.919 0.000 0.666 836 A CB 1.151 19.776 19.000 -0.626 0.000 1.281 836 A HN 0.494 nan 8.150 nan 0.000 0.421 837 P HA 0.081 nan 4.420 nan 0.000 0.266 837 P C 0.526 177.519 177.300 -0.512 0.000 1.195 837 P CA 0.128 62.550 63.100 -1.129 0.000 0.768 837 P CB 0.541 31.772 31.700 -0.782 0.000 0.838 838 K N 2.214 122.459 120.400 -0.258 0.000 2.211 838 K HA -0.210 4.107 4.320 -0.005 0.000 0.204 838 K C 0.779 177.264 176.600 -0.191 0.000 1.047 838 K CA 1.752 57.944 56.287 -0.160 0.000 0.935 838 K CB -0.419 32.060 32.500 -0.036 0.000 0.728 838 K HN 0.264 nan 8.250 nan 0.000 0.452 839 E N 1.216 121.301 120.200 -0.191 0.000 2.472 839 E HA -0.084 4.264 4.350 -0.005 0.000 0.200 839 E C 0.847 177.321 176.600 -0.209 0.000 1.046 839 E CA 0.862 57.163 56.400 -0.165 0.000 0.871 839 E CB 0.158 29.779 29.700 -0.132 0.000 0.806 839 E HN 0.516 nan 8.360 nan 0.000 0.533 840 E N -0.601 119.426 120.200 -0.289 0.000 2.498 840 E HA 0.076 4.423 4.350 -0.005 0.000 0.203 840 E C 1.241 177.633 176.600 -0.346 0.000 1.013 840 E CA -0.176 56.037 56.400 -0.311 0.000 0.927 840 E CB 0.219 29.694 29.700 -0.375 0.000 1.012 840 E HN 0.194 nan 8.360 nan 0.000 0.482 841 M N 0.909 120.288 119.600 -0.367 0.000 2.080 841 M HA -0.185 4.292 4.480 -0.005 0.000 0.260 841 M C 1.855 177.968 176.300 -0.312 0.000 1.068 841 M CA 1.700 56.724 55.300 -0.460 0.000 1.109 841 M CB -0.883 31.232 32.600 -0.809 0.000 1.342 841 M HN 0.143 nan 8.290 nan 0.000 0.405 842 E N -0.320 119.754 120.200 -0.211 0.000 2.085 842 E HA -0.203 4.144 4.350 -0.005 0.000 0.194 842 E C 2.196 178.712 176.600 -0.140 0.000 0.994 842 E CA 1.123 57.459 56.400 -0.108 0.000 0.801 842 E CB -0.198 29.462 29.700 -0.067 0.000 0.743 842 E HN 0.521 nan 8.360 nan 0.000 0.453 843 R N 0.451 120.838 120.500 -0.188 0.000 2.075 843 R HA -0.066 4.271 4.340 -0.005 0.000 0.232 843 R C 2.511 178.643 176.300 -0.279 0.000 1.126 843 R CA 0.854 56.833 56.100 -0.201 0.000 0.963 843 R CB -0.263 29.918 30.300 -0.198 0.000 0.858 843 R HN 0.171 nan 8.270 nan 0.000 0.435 844 L N -0.171 120.810 121.223 -0.404 0.000 2.141 844 L HA -0.209 4.128 4.340 -0.005 0.000 0.209 844 L C 2.433 178.958 176.870 -0.574 0.000 1.094 844 L CA 0.757 55.205 54.840 -0.654 0.000 0.763 844 L CB -0.467 40.902 42.059 -1.149 0.000 0.908 844 L HN 0.332 nan 8.230 nan 0.000 0.437 845 C N -0.181 118.947 119.300 -0.286 0.000 2.410 845 C HA -0.139 4.318 4.460 -0.005 0.000 0.281 845 C C 2.889 177.643 174.990 -0.394 0.000 1.318 845 C CA 0.893 59.772 59.018 -0.231 0.000 1.776 845 C CB -1.020 26.759 27.740 0.064 0.000 1.942 845 C HN 0.459 nan 8.230 nan 0.000 0.508 846 R N -0.887 119.463 120.500 -0.249 0.000 2.123 846 R HA 0.105 4.443 4.340 -0.005 0.000 0.209 846 R C 2.027 178.208 176.300 -0.197 0.000 1.078 846 R CA 0.371 56.358 56.100 -0.188 0.000 1.028 846 R CB -0.476 29.754 30.300 -0.117 0.000 0.939 846 R HN 0.306 nan 8.270 nan 0.000 0.463 847 L N 0.943 122.032 121.223 -0.223 0.000 2.027 847 L HA -0.085 4.253 4.340 -0.005 0.000 0.206 847 L C 1.981 178.729 176.870 -0.202 0.000 1.074 847 L CA 1.597 56.317 54.840 -0.200 0.000 0.745 847 L CB -0.285 41.646 42.059 -0.213 0.000 0.898 847 L HN -0.104 nan 8.230 nan 0.000 0.433 848 V N 0.477 120.230 119.914 -0.268 0.000 2.295 848 V HA -0.175 3.942 4.120 -0.005 0.000 0.246 848 V C -0.097 175.917 176.094 -0.133 0.000 1.049 848 V CA 2.205 64.388 62.300 -0.195 0.000 1.024 848 V CB -1.905 29.804 31.823 -0.190 0.000 0.648 848 V HN 0.355 nan 8.190 nan 0.000 0.447 849 P HA -0.141 nan 4.420 nan 0.000 0.216 849 P C 1.624 178.877 177.300 -0.078 0.000 1.153 849 P CA 1.354 64.390 63.100 -0.106 0.000 0.848 849 P CB 0.098 31.729 31.700 -0.115 0.000 0.787 850 E N -0.094 120.054 120.200 -0.087 0.000 2.038 850 E HA -0.150 4.197 4.350 -0.005 0.000 0.195 850 E C 1.867 178.440 176.600 -0.045 0.000 1.000 850 E CA 1.368 57.734 56.400 -0.057 0.000 0.803 850 E CB -1.276 28.384 29.700 -0.067 0.000 0.750 850 E HN -0.102 nan 8.360 nan 0.000 0.448 851 V N 0.533 120.410 119.914 -0.061 0.000 2.343 851 V HA -0.293 3.824 4.120 -0.005 0.000 0.247 851 V C 2.480 178.566 176.094 -0.015 0.000 1.051 851 V CA 2.192 64.466 62.300 -0.043 0.000 1.036 851 V CB -0.498 31.290 31.823 -0.059 0.000 0.654 851 V HN 0.357 nan 8.190 nan 0.000 0.451 852 M N -0.696 118.883 119.600 -0.036 0.000 2.132 852 M HA -0.172 4.305 4.480 -0.005 0.000 0.263 852 M C 2.172 178.548 176.300 0.126 0.000 1.065 852 M CA 1.793 57.090 55.300 -0.006 0.000 1.122 852 M CB -0.447 31.991 32.600 -0.270 0.000 1.365 852 M HN 0.353 nan 8.290 nan 0.000 0.411 853 E N -0.204 120.031 120.200 0.059 0.000 2.204 853 E HA -0.149 4.198 4.350 -0.005 0.000 0.194 853 E C 1.576 178.213 176.600 0.062 0.000 0.989 853 E CA 0.654 57.114 56.400 0.101 0.000 0.824 853 E CB 0.073 29.803 29.700 0.049 0.000 0.756 853 E HN 0.453 nan 8.360 nan 0.000 0.477 854 Q N -0.567 119.252 119.800 0.032 0.000 2.280 854 Q HA 0.214 4.551 4.340 -0.005 0.000 0.201 854 Q C 1.610 177.612 176.000 0.003 0.000 0.890 854 Q CA 0.195 56.003 55.803 0.008 0.000 0.947 854 Q CB 0.804 29.538 28.738 -0.005 0.000 1.081 854 Q HN 0.197 nan 8.270 nan 0.000 0.502 855 A N 0.927 123.763 122.820 0.026 0.000 1.917 855 A HA -0.042 4.275 4.320 -0.005 0.000 0.219 855 A C 1.306 178.874 177.584 -0.027 0.000 1.182 855 A CA 1.785 53.829 52.037 0.011 0.000 0.633 855 A CB -0.116 18.913 19.000 0.049 0.000 0.819 855 A HN 0.234 nan 8.150 nan 0.000 0.448 856 V N -5.533 114.351 119.914 -0.049 0.000 3.181 856 V HA 0.726 4.843 4.120 -0.005 0.000 0.308 856 V C -0.696 175.344 176.094 -0.090 0.000 1.214 856 V CA -0.565 61.683 62.300 -0.085 0.000 1.053 856 V CB 1.664 33.403 31.823 -0.139 0.000 1.069 856 V HN -0.002 nan 8.190 nan 0.000 0.441 857 T N 3.543 118.038 114.554 -0.099 0.000 2.791 857 T HA 0.725 5.072 4.350 -0.005 0.000 0.288 857 T C -0.326 174.292 174.700 -0.137 0.000 0.999 857 T CA -0.207 61.843 62.100 -0.083 0.000 0.952 857 T CB 0.671 69.516 68.868 -0.039 0.000 0.938 857 T HN 0.637 nan 8.240 nan 0.000 0.444 858 L N 2.063 123.185 121.223 -0.168 0.000 2.299 858 L HA 0.571 4.909 4.340 -0.005 0.000 0.268 858 L C 1.704 178.599 176.870 0.042 0.000 1.012 858 L CA -1.221 53.465 54.840 -0.256 0.000 0.816 858 L CB 1.128 42.942 42.059 -0.408 0.000 1.355 858 L HN 0.496 nan 8.230 nan 0.000 0.457 859 R N -0.162 120.527 120.500 0.314 0.000 2.280 859 R HA 0.032 4.369 4.340 -0.005 0.000 0.207 859 R C -0.163 176.199 176.300 0.103 0.000 1.043 859 R CA 0.391 56.605 56.100 0.191 0.000 1.006 859 R CB -0.090 30.309 30.300 0.166 0.000 0.885 859 R HN 0.506 nan 8.270 nan 0.000 0.467 860 V N -2.686 117.269 119.914 0.068 0.000 3.040 860 V HA 0.574 4.692 4.120 -0.005 0.000 0.312 860 V C -2.795 173.292 176.094 -0.012 0.000 1.115 860 V CA -3.232 59.094 62.300 0.043 0.000 0.998 860 V CB 2.136 33.991 31.823 0.054 0.000 1.042 860 V HN -0.200 nan 8.190 nan 0.000 0.433 861 P HA 0.438 nan 4.420 nan 0.000 0.272 861 P C -0.905 176.366 177.300 -0.049 0.000 1.230 861 P CA -0.277 62.819 63.100 -0.007 0.000 0.788 861 P CB 0.462 32.178 31.700 0.026 0.000 0.949 862 L N 1.500 122.710 121.223 -0.022 0.000 2.317 862 L HA 0.492 4.829 4.340 -0.005 0.000 0.281 862 L C 0.465 177.373 176.870 0.064 0.000 1.024 862 L CA -0.619 54.222 54.840 0.003 0.000 0.810 862 L CB 1.378 43.469 42.059 0.054 0.000 1.240 862 L HN 0.307 nan 8.230 nan 0.000 0.427 863 K N 2.476 122.928 120.400 0.088 0.000 2.345 863 K HA 0.672 4.989 4.320 -0.005 0.000 0.255 863 K C -1.690 174.969 176.600 0.099 0.000 0.934 863 K CA -0.558 55.779 56.287 0.084 0.000 0.801 863 K CB 2.157 34.696 32.500 0.065 0.000 1.137 863 K HN 0.327 nan 8.250 nan 0.000 0.424 864 V N 3.673 123.619 119.914 0.054 0.000 2.540 864 V HA 0.300 4.417 4.120 -0.005 0.000 0.302 864 V C -0.770 175.368 176.094 0.073 0.000 1.035 864 V CA -0.927 61.373 62.300 0.000 0.000 0.873 864 V CB 1.834 33.592 31.823 -0.109 0.000 0.992 864 V HN 0.837 nan 8.190 nan 0.000 0.428 865 D N 3.025 123.443 120.400 0.029 0.000 2.268 865 D HA 0.658 5.295 4.640 -0.005 0.000 0.249 865 D C -0.978 175.272 176.300 -0.082 0.000 1.008 865 D CA 0.153 54.102 54.000 -0.083 0.000 0.939 865 D CB 2.236 43.000 40.800 -0.059 0.000 1.170 865 D HN 0.598 nan 8.370 nan 0.000 0.468 866 Y N -1.895 118.140 120.300 -0.442 0.000 2.581 866 Y HA 0.658 5.205 4.550 -0.005 0.000 0.337 866 Y C -1.340 173.989 175.900 -0.952 0.000 1.108 866 Y CA -1.050 56.734 58.100 -0.527 0.000 1.033 866 Y CB 1.173 39.428 38.460 -0.341 0.000 1.318 866 Y HN 0.354 nan 8.280 nan 0.000 0.459 867 H N 0.208 119.100 119.070 -0.298 0.000 3.042 867 H HA 0.622 5.175 4.556 -0.005 0.000 0.346 867 H C -1.754 173.416 175.328 -0.264 0.000 1.294 867 H CA -1.146 54.736 56.048 -0.275 0.000 1.141 867 H CB 2.051 31.673 29.762 -0.234 0.000 1.872 867 H HN 0.803 nan 8.280 nan 0.000 0.541 868 Y N -1.060 119.219 120.300 -0.036 0.000 2.588 868 Y HA 0.904 5.451 4.550 -0.005 0.000 0.343 868 Y C -0.247 175.705 175.900 0.086 0.000 1.065 868 Y CA -0.847 57.264 58.100 0.017 0.000 1.038 868 Y CB 1.526 40.062 38.460 0.128 0.000 1.297 868 Y HN 0.997 nan 8.280 nan 0.000 0.467 869 G N -0.076 108.900 108.800 0.292 0.000 2.488 869 G HA2 0.350 4.307 3.960 -0.005 0.000 0.301 869 G HA3 0.350 4.307 3.960 -0.005 0.000 0.301 869 G C -0.692 174.350 174.900 0.237 0.000 1.339 869 G CA -0.493 44.730 45.100 0.205 0.000 0.803 869 G HN 0.608 nan 8.290 nan 0.000 0.482 870 S N -0.771 115.044 115.700 0.193 0.000 2.481 870 S HA 0.183 4.650 4.470 -0.005 0.000 0.231 870 S C 1.182 175.897 174.600 0.191 0.000 0.996 870 S CA 1.475 59.783 58.200 0.179 0.000 0.942 870 S CB -0.238 63.045 63.200 0.139 0.000 0.768 870 S HN 1.278 nan 8.310 nan 0.000 0.520 871 T N -3.659 111.031 114.554 0.227 0.000 2.841 871 T HA 0.331 4.678 4.350 -0.005 0.000 0.296 871 T C -0.064 174.859 174.700 0.373 0.000 1.166 871 T CA -0.812 61.456 62.100 0.281 0.000 1.007 871 T CB 0.787 69.811 68.868 0.260 0.000 1.253 871 T HN 0.123 nan 8.240 nan 0.000 0.511 872 W N 0.608 122.027 121.300 0.199 0.000 2.342 872 W HA -0.097 4.560 4.660 -0.005 0.000 0.297 872 W C 1.858 178.446 176.519 0.115 0.000 1.213 872 W CA 1.000 58.426 57.345 0.136 0.000 1.251 872 W CB -1.121 28.401 29.460 0.102 0.000 1.136 872 W HN 0.904 nan 8.180 nan 0.000 0.526 873 Y N 1.602 122.003 120.300 0.168 0.000 2.165 873 Y HA -0.255 4.292 4.550 -0.005 0.000 0.286 873 Y C 2.056 177.955 175.900 -0.002 0.000 1.155 873 Y CA 2.631 60.723 58.100 -0.013 0.000 1.164 873 Y CB -0.589 37.870 38.460 -0.001 0.000 0.978 873 Y HN -0.137 nan 8.280 nan 0.000 0.513 874 D N 0.147 120.697 120.400 0.250 0.000 2.347 874 D HA 0.043 4.680 4.640 -0.005 0.000 0.215 874 D C 0.980 177.292 176.300 0.020 0.000 0.976 874 D CA 0.892 54.962 54.000 0.117 0.000 0.884 874 D CB -0.151 40.758 40.800 0.181 0.000 0.915 874 D HN 0.368 nan 8.370 nan 0.000 0.526 875 A N 1.518 124.393 122.820 0.092 0.000 2.958 875 A HA 0.192 4.509 4.320 -0.005 0.000 0.247 875 A C 0.402 177.961 177.584 -0.042 0.000 1.679 875 A CA -0.034 52.058 52.037 0.091 0.000 1.345 875 A CB -0.673 18.462 19.000 0.224 0.000 1.013 875 A HN 0.121 nan 8.150 nan 0.000 0.641 876 K N 0.000 120.251 120.400 -0.248 0.000 2.780 876 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 876 K CA 0.000 55.895 56.287 -0.654 0.000 0.838 876 K CB 0.000 32.207 32.500 -0.489 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543