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 3hpo_1_A DATA FIRST_RESID 297 DATA SEQUENCE AKMAFTLADR VTEEMLADKA ALVVEVVEEN YHAAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LXGVSFDLLL 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 AVNFGIVSGI 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 0.000 177.591 177.584 0.011 0.000 1.274 297 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 297 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 298 K N 0.435 120.843 120.400 0.014 0.000 2.604 298 K HA 0.007 3.318 4.320 -1.682 0.000 0.278 298 K C 0.069 176.698 176.600 0.048 0.000 0.975 298 K CA 1.037 57.345 56.287 0.034 0.000 1.066 298 K CB 0.116 32.625 32.500 0.016 0.000 0.840 298 K HN 0.596 nan 8.250 nan 0.000 0.491 299 M N 2.638 122.297 119.600 0.099 0.000 2.209 299 M HA 0.284 3.755 4.480 -1.682 0.000 0.355 299 M C -0.642 175.761 176.300 0.172 0.000 1.171 299 M CA -0.302 55.071 55.300 0.121 0.000 1.069 299 M CB 1.279 33.959 32.600 0.134 0.000 1.622 299 M HN 0.663 nan 8.290 nan 0.000 0.459 300 A N 5.169 128.039 122.820 0.085 0.000 2.440 300 A HA 0.633 3.944 4.320 -1.682 0.000 0.251 300 A C -0.867 176.779 177.584 0.104 0.000 1.089 300 A CA -0.202 51.837 52.037 0.003 0.000 0.779 300 A CB -0.247 18.729 19.000 -0.041 0.000 1.022 300 A HN 0.913 nan 8.150 nan 0.000 0.492 301 F N -1.249 118.647 119.950 -0.090 0.000 2.773 301 F HA 0.615 4.133 4.527 -1.681 0.000 0.314 301 F C -0.575 175.166 175.800 -0.098 0.000 1.160 301 F CA -0.846 57.074 58.000 -0.133 0.000 0.920 301 F CB 0.910 39.858 39.000 -0.087 0.000 1.323 301 F HN 0.282 nan 8.300 nan 0.000 0.457 302 T N 3.006 117.610 114.554 0.083 0.000 2.733 302 T HA 0.382 3.723 4.350 -1.682 0.000 0.294 302 T C -0.446 174.471 174.700 0.362 0.000 0.956 302 T CA -0.303 61.857 62.100 0.100 0.000 0.987 302 T CB 0.863 69.818 68.868 0.144 0.000 0.920 302 T HN 0.725 nan 8.240 nan 0.000 0.470 303 L N 4.155 125.524 121.223 0.242 0.000 2.334 303 L HA 0.511 3.842 4.340 -1.682 0.000 0.286 303 L C 0.574 177.597 176.870 0.256 0.000 1.108 303 L CA -0.515 54.553 54.840 0.379 0.000 0.875 303 L CB -0.276 41.935 42.059 0.253 0.000 1.246 303 L HN 0.711 nan 8.230 nan 0.000 0.439 304 A N 3.018 125.997 122.820 0.264 0.000 2.340 304 A HA 0.218 3.529 4.320 -1.682 0.000 0.268 304 A C 0.297 177.929 177.584 0.081 0.000 1.100 304 A CA -0.422 51.699 52.037 0.140 0.000 0.803 304 A CB 0.624 19.684 19.000 0.099 0.000 1.043 304 A HN 0.755 nan 8.150 nan 0.000 0.488 305 D N -0.576 119.846 120.400 0.037 0.000 2.388 305 D HA 0.129 3.760 4.640 -1.682 0.000 0.208 305 D C 0.590 176.872 176.300 -0.029 0.000 1.035 305 D CA 0.790 54.797 54.000 0.012 0.000 0.875 305 D CB 0.278 41.087 40.800 0.015 0.000 0.984 305 D HN 0.707 nan 8.370 nan 0.000 0.508 306 R N -1.165 119.307 120.500 -0.046 0.000 2.707 306 R HA 0.583 3.915 4.340 -1.682 0.000 0.272 306 R C -1.187 175.044 176.300 -0.115 0.000 1.011 306 R CA -0.873 55.180 56.100 -0.077 0.000 0.893 306 R CB 1.253 31.521 30.300 -0.054 0.000 1.233 306 R HN -0.299 nan 8.270 nan 0.000 0.464 307 V N 2.149 121.976 119.914 -0.144 0.000 2.585 307 V HA 0.183 3.295 4.120 -1.682 0.000 0.296 307 V C 0.566 176.567 176.094 -0.154 0.000 1.035 307 V CA 0.435 62.629 62.300 -0.178 0.000 1.084 307 V CB 0.864 32.605 31.823 -0.137 0.000 0.953 307 V HN 0.966 nan 8.190 nan 0.000 0.483 308 T N 0.554 114.977 114.554 -0.218 0.000 2.942 308 T HA 0.433 3.774 4.350 -1.682 0.000 0.289 308 T C 0.801 175.357 174.700 -0.240 0.000 1.044 308 T CA -0.408 61.574 62.100 -0.198 0.000 1.023 308 T CB 1.911 70.667 68.868 -0.187 0.000 1.123 308 T HN 0.586 nan 8.240 nan 0.000 0.512 309 E N 0.828 120.917 120.200 -0.185 0.000 2.118 309 E HA -0.234 3.107 4.350 -1.682 0.000 0.195 309 E C 1.818 178.275 176.600 -0.240 0.000 0.992 309 E CA 2.168 58.462 56.400 -0.178 0.000 0.804 309 E CB -0.294 29.331 29.700 -0.126 0.000 0.741 309 E HN 0.892 nan 8.360 nan 0.000 0.458 310 E N -0.321 119.702 120.200 -0.295 0.000 2.418 310 E HA -0.159 3.182 4.350 -1.682 0.000 0.197 310 E C 1.711 178.110 176.600 -0.334 0.000 1.026 310 E CA 0.833 57.029 56.400 -0.339 0.000 0.862 310 E CB -0.254 29.223 29.700 -0.372 0.000 0.799 310 E HN 0.387 nan 8.360 nan 0.000 0.518 311 M N 0.593 119.844 119.600 -0.581 0.000 2.558 311 M HA 0.097 3.568 4.480 -1.682 0.000 0.255 311 M C 0.992 176.877 176.300 -0.693 0.000 1.113 311 M CA 0.747 55.595 55.300 -0.754 0.000 1.097 311 M CB 0.260 32.373 32.600 -0.811 0.000 1.426 311 M HN 0.128 nan 8.290 nan 0.000 0.488 312 L N -0.105 120.790 121.223 -0.546 0.000 3.017 312 L HA 0.438 3.769 4.340 -1.682 0.000 0.255 312 L C 0.768 177.566 176.870 -0.121 0.000 1.247 312 L CA -0.811 53.609 54.840 -0.700 0.000 1.038 312 L CB -0.456 41.345 42.059 -0.430 0.000 1.380 312 L HN 0.037 nan 8.230 nan 0.000 0.548 313 A N 0.747 123.576 122.820 0.015 0.000 2.429 313 A HA 0.059 3.370 4.320 -1.682 0.000 0.242 313 A C 1.029 178.811 177.584 0.330 0.000 1.088 313 A CA 0.230 52.387 52.037 0.199 0.000 0.784 313 A CB 0.192 19.320 19.000 0.213 0.000 1.038 313 A HN 0.495 nan 8.150 nan 0.000 0.501 314 D N -0.666 119.885 120.400 0.251 0.000 2.336 314 D HA 0.070 3.701 4.640 -1.682 0.000 0.229 314 D C 0.259 176.682 176.300 0.205 0.000 1.061 314 D CA 0.524 54.657 54.000 0.221 0.000 0.875 314 D CB 0.008 40.890 40.800 0.137 0.000 0.904 314 D HN 0.417 nan 8.370 nan 0.000 0.525 315 K N -0.175 120.382 120.400 0.261 0.000 2.553 315 K HA 0.634 3.945 4.320 -1.682 0.000 0.250 315 K C -1.965 174.872 176.600 0.396 0.000 0.953 315 K CA -0.707 55.763 56.287 0.305 0.000 0.800 315 K CB 2.075 34.747 32.500 0.287 0.000 1.243 315 K HN 0.036 nan 8.250 nan 0.000 0.435 316 A N 2.024 125.101 122.820 0.429 0.000 2.594 316 A HA 0.779 4.090 4.320 -1.682 0.000 0.295 316 A C -1.653 176.169 177.584 0.396 0.000 1.071 316 A CA -0.661 51.572 52.037 0.326 0.000 0.685 316 A CB 1.634 20.858 19.000 0.373 0.000 1.285 316 A HN 0.704 nan 8.150 nan 0.000 0.405 317 A N 0.606 123.606 122.820 0.301 0.000 2.301 317 A HA 0.654 3.965 4.320 -1.682 0.000 0.298 317 A C -0.706 177.004 177.584 0.210 0.000 1.185 317 A CA -0.234 51.988 52.037 0.309 0.000 0.830 317 A CB 0.297 19.501 19.000 0.340 0.000 1.112 317 A HN 1.841 nan 8.150 nan 0.000 0.508 318 L N 3.581 124.932 121.223 0.214 0.000 2.385 318 L HA 0.712 4.043 4.340 -1.682 0.000 0.273 318 L C -1.163 175.795 176.870 0.147 0.000 0.990 318 L CA -0.300 54.668 54.840 0.212 0.000 0.821 318 L CB 2.138 44.354 42.059 0.261 0.000 1.279 318 L HN 0.388 nan 8.230 nan 0.000 0.412 319 V N 5.688 125.676 119.914 0.123 0.000 2.444 319 V HA 0.535 3.646 4.120 -1.682 0.000 0.294 319 V C -0.701 175.444 176.094 0.085 0.000 1.022 319 V CA -0.571 61.780 62.300 0.086 0.000 0.850 319 V CB 1.958 33.808 31.823 0.046 0.000 0.992 319 V HN 0.514 nan 8.190 nan 0.000 0.426 320 V N 4.135 124.093 119.914 0.074 0.000 2.289 320 V HA 0.338 3.449 4.120 -1.682 0.000 0.272 320 V C -0.069 176.051 176.094 0.045 0.000 1.026 320 V CA -0.639 61.699 62.300 0.063 0.000 0.807 320 V CB 1.358 33.220 31.823 0.065 0.000 1.044 320 V HN 0.935 nan 8.190 nan 0.000 0.443 321 E N 3.763 123.994 120.200 0.051 0.000 2.180 321 E HA 0.392 3.733 4.350 -1.682 0.000 0.283 321 E C -0.837 175.781 176.600 0.029 0.000 1.061 321 E CA 0.018 56.454 56.400 0.060 0.000 0.861 321 E CB 1.202 30.968 29.700 0.111 0.000 1.056 321 E HN 0.424 nan 8.360 nan 0.000 0.407 322 V N 6.327 126.251 119.914 0.016 0.000 2.350 322 V HA 0.128 3.239 4.120 -1.682 0.000 0.285 322 V C 0.756 176.827 176.094 -0.039 0.000 1.014 322 V CA -0.558 61.742 62.300 -0.000 0.000 0.831 322 V CB 1.428 33.270 31.823 0.031 0.000 1.000 322 V HN 0.707 nan 8.190 nan 0.000 0.433 323 V N 2.740 122.580 119.914 -0.123 0.000 2.725 323 V HA 0.054 3.165 4.120 -1.682 0.000 0.247 323 V C 1.179 177.186 176.094 -0.144 0.000 1.058 323 V CA 0.689 62.836 62.300 -0.255 0.000 1.080 323 V CB -0.232 31.297 31.823 -0.489 0.000 0.713 323 V HN 0.848 nan 8.190 nan 0.000 0.465 324 E N 1.100 121.250 120.200 -0.084 0.000 2.414 324 E HA -0.033 3.308 4.350 -1.682 0.000 0.263 324 E C 0.755 177.341 176.600 -0.025 0.000 1.000 324 E CA 0.017 56.384 56.400 -0.055 0.000 0.914 324 E CB 0.839 30.509 29.700 -0.050 0.000 0.948 324 E HN 0.511 nan 8.360 nan 0.000 0.444 325 E N 1.691 121.874 120.200 -0.029 0.000 2.077 325 E HA -0.150 3.191 4.350 -1.682 0.000 0.193 325 E C 0.689 177.246 176.600 -0.072 0.000 0.989 325 E CA 0.642 57.032 56.400 -0.016 0.000 0.800 325 E CB 0.069 29.759 29.700 -0.016 0.000 0.746 325 E HN 0.306 nan 8.360 nan 0.000 0.452 326 N N 0.693 119.324 118.700 -0.114 0.000 2.415 326 N HA -0.040 3.692 4.740 -1.682 0.000 0.246 326 N C -0.095 175.292 175.510 -0.206 0.000 1.078 326 N CA -0.062 52.853 53.050 -0.225 0.000 0.942 326 N CB 0.386 38.788 38.487 -0.142 0.000 1.140 326 N HN 0.104 nan 8.380 nan 0.000 0.501 327 Y N 1.181 121.411 120.300 -0.116 0.000 2.529 327 Y HA 0.256 3.797 4.550 -1.682 0.000 0.290 327 Y C 0.412 176.191 175.900 -0.203 0.000 1.177 327 Y CA -0.449 57.566 58.100 -0.141 0.000 1.305 327 Y CB -0.880 37.510 38.460 -0.117 0.000 1.047 327 Y HN 0.373 nan 8.280 nan 0.000 0.522 328 H N 2.080 121.092 119.070 -0.097 0.000 3.046 328 H HA 0.298 3.845 4.556 -1.682 0.000 0.303 328 H C 1.237 176.086 175.328 -0.798 0.000 1.002 328 H CA 0.544 56.388 56.048 -0.339 0.000 1.460 328 H CB 0.759 30.347 29.762 -0.291 0.000 1.493 328 H HN 0.463 nan 8.280 nan 0.000 0.559 329 A N 2.373 124.439 122.820 -1.256 0.000 2.798 329 A HA -0.203 3.108 4.320 -1.682 0.000 0.282 329 A C 0.983 178.386 177.584 -0.302 0.000 1.464 329 A CA 0.965 52.517 52.037 -0.809 0.000 0.844 329 A CB -1.750 16.634 19.000 -1.027 0.000 1.006 329 A HN 0.888 nan 8.150 nan 0.000 0.577 330 A N -0.483 122.235 122.820 -0.169 0.000 2.286 330 A HA 0.737 4.048 4.320 -1.682 0.000 0.286 330 A C -1.842 175.727 177.584 -0.025 0.000 1.097 330 A CA -1.256 50.735 52.037 -0.078 0.000 0.821 330 A CB 0.107 19.084 19.000 -0.038 0.000 1.076 330 A HN 0.371 nan 8.150 nan 0.000 0.490 331 P HA 0.339 nan 4.420 nan 0.000 0.275 331 P C -0.883 176.421 177.300 0.007 0.000 1.227 331 P CA 0.095 63.194 63.100 -0.002 0.000 0.781 331 P CB 0.385 32.081 31.700 -0.007 0.000 0.906 332 I N 2.552 123.133 120.570 0.018 0.000 2.325 332 I HA 0.046 3.208 4.170 -1.682 0.000 0.291 332 I C 1.572 177.702 176.117 0.021 0.000 1.019 332 I CA -0.453 60.859 61.300 0.019 0.000 1.302 332 I CB 1.360 39.374 38.000 0.024 0.000 1.401 332 I HN 0.199 nan 8.210 nan 0.000 0.485 333 V N 2.906 122.841 119.914 0.034 0.000 3.354 333 V HA 0.517 3.628 4.120 -1.682 0.000 0.258 333 V C 0.737 176.896 176.094 0.109 0.000 1.159 333 V CA 0.601 62.941 62.300 0.068 0.000 1.125 333 V CB -0.408 31.460 31.823 0.075 0.000 0.774 333 V HN 0.864 nan 8.190 nan 0.000 0.464 334 G N -0.561 108.276 108.800 0.062 0.000 2.411 334 G HA2 0.565 3.516 3.960 -1.682 0.000 0.295 334 G HA3 0.565 3.516 3.960 -1.682 0.000 0.295 334 G C -1.778 173.053 174.900 -0.115 0.000 1.542 334 G CA -0.711 44.376 45.100 -0.022 0.000 0.814 334 G HN 0.179 nan 8.290 nan 0.000 0.557 335 I N 0.510 120.856 120.570 -0.372 0.000 2.545 335 I HA 0.710 3.871 4.170 -1.682 0.000 0.292 335 I C 0.210 176.180 176.117 -0.246 0.000 1.040 335 I CA -0.959 60.211 61.300 -0.216 0.000 1.068 335 I CB 2.290 40.170 38.000 -0.201 0.000 1.251 335 I HN 0.823 nan 8.210 nan 0.000 0.424 336 A N 5.645 128.444 122.820 -0.035 0.000 2.386 336 A HA 0.873 4.185 4.320 -1.682 0.000 0.311 336 A C -1.280 176.350 177.584 0.075 0.000 1.068 336 A CA -0.538 51.510 52.037 0.017 0.000 0.743 336 A CB 1.765 20.781 19.000 0.027 0.000 1.258 336 A HN 0.396 nan 8.150 nan 0.000 0.429 337 V N 2.295 122.276 119.914 0.112 0.000 2.531 337 V HA 0.526 3.637 4.120 -1.682 0.000 0.301 337 V C -0.667 175.497 176.094 0.117 0.000 1.034 337 V CA -0.501 61.880 62.300 0.134 0.000 0.865 337 V CB 1.713 33.594 31.823 0.096 0.000 0.995 337 V HN 0.686 nan 8.190 nan 0.000 0.424 338 V N 5.743 125.633 119.914 -0.040 0.000 2.444 338 V HA 0.636 3.747 4.120 -1.682 0.000 0.294 338 V C -0.300 175.402 176.094 -0.653 0.000 1.022 338 V CA -0.459 61.668 62.300 -0.288 0.000 0.850 338 V CB 1.686 33.307 31.823 -0.337 0.000 0.992 338 V HN 1.118 nan 8.190 nan 0.000 0.426 339 N N 2.557 120.898 118.700 -0.600 0.000 3.387 339 N HA 0.257 3.988 4.740 -1.682 0.000 0.322 339 N C 0.772 175.992 175.510 -0.483 0.000 1.588 339 N CA -0.372 52.239 53.050 -0.732 0.000 0.778 339 N CB 0.533 38.905 38.487 -0.192 0.000 1.883 339 N HN 0.510 nan 8.380 nan 0.000 0.628 340 E N -1.058 119.002 120.200 -0.233 0.000 2.333 340 E HA -0.225 3.116 4.350 -1.682 0.000 0.198 340 E C 0.261 176.730 176.600 -0.218 0.000 1.007 340 E CA 1.412 57.721 56.400 -0.151 0.000 0.845 340 E CB -0.551 29.017 29.700 -0.221 0.000 0.766 340 E HN 0.704 nan 8.360 nan 0.000 0.507 341 H N -0.092 119.013 119.070 0.059 0.000 2.592 341 H HA 0.359 3.906 4.556 -1.681 0.000 0.265 341 H C 0.765 176.125 175.328 0.053 0.000 0.955 341 H CA 0.037 56.148 56.048 0.106 0.000 1.175 341 H CB 1.295 31.164 29.762 0.178 0.000 1.433 341 H HN 0.349 nan 8.280 nan 0.000 0.537 342 G N 0.042 108.840 108.800 -0.003 0.000 2.302 342 G HA2 0.038 2.989 3.960 -1.682 0.000 0.264 342 G HA3 0.038 2.989 3.960 -1.682 0.000 0.264 342 G C -1.579 172.989 174.900 -0.553 0.000 1.335 342 G CA -1.224 43.694 45.100 -0.303 0.000 0.982 342 G HN 0.121 nan 8.290 nan 0.000 0.473 343 R N -0.622 119.426 120.500 -0.753 0.000 2.534 343 R HA 0.695 4.026 4.340 -1.682 0.000 0.301 343 R C -1.525 174.376 176.300 -0.665 0.000 0.961 343 R CA -0.492 55.299 56.100 -0.515 0.000 0.871 343 R CB 1.648 31.846 30.300 -0.171 0.000 1.170 343 R HN 0.315 nan 8.270 nan 0.000 0.446 344 F N 1.914 121.896 119.950 0.053 0.000 2.565 344 F HA 0.454 3.972 4.527 -1.682 0.000 0.313 344 F C -0.535 175.318 175.800 0.089 0.000 1.091 344 F CA -1.046 57.011 58.000 0.095 0.000 0.915 344 F CB 1.570 40.570 39.000 -0.000 0.000 1.208 344 F HN 0.349 nan 8.300 nan 0.000 0.453 345 F N 3.730 123.793 119.950 0.187 0.000 2.469 345 F HA 0.827 4.345 4.527 -1.682 0.000 0.332 345 F C -1.613 174.216 175.800 0.048 0.000 1.103 345 F CA -0.854 57.172 58.000 0.045 0.000 0.979 345 F CB 1.005 39.998 39.000 -0.012 0.000 1.137 345 F HN 0.327 nan 8.300 nan 0.000 0.463 346 L N 5.927 126.624 121.223 -0.876 0.000 2.401 346 L HA 0.549 3.880 4.340 -1.682 0.000 0.266 346 L C -0.586 175.748 176.870 -0.893 0.000 0.991 346 L CA -1.032 53.407 54.840 -0.669 0.000 0.818 346 L CB 2.322 44.048 42.059 -0.555 0.000 1.321 346 L HN 0.578 nan 8.230 nan 0.000 0.413 347 R N 3.067 123.314 120.500 -0.421 0.000 2.438 347 R HA 0.175 3.506 4.340 -1.682 0.000 0.287 347 R C -1.622 174.539 176.300 -0.231 0.000 1.077 347 R CA -1.535 54.429 56.100 -0.227 0.000 1.034 347 R CB 0.697 30.983 30.300 -0.023 0.000 0.993 347 R HN 0.362 nan 8.270 nan 0.000 0.459 348 P HA -0.178 nan 4.420 nan 0.000 0.216 348 P C 0.221 177.469 177.300 -0.086 0.000 1.153 348 P CA 1.399 64.425 63.100 -0.124 0.000 0.848 348 P CB 0.291 31.959 31.700 -0.053 0.000 0.787 349 E N -0.328 119.840 120.200 -0.052 0.000 2.171 349 E HA -0.137 3.204 4.350 -1.682 0.000 0.197 349 E C 2.014 178.584 176.600 -0.050 0.000 0.997 349 E CA 1.777 58.158 56.400 -0.031 0.000 0.810 349 E CB -1.660 28.032 29.700 -0.013 0.000 0.738 349 E HN 0.290 nan 8.360 nan 0.000 0.467 350 T N 0.412 114.914 114.554 -0.086 0.000 2.668 350 T HA -0.030 3.311 4.350 -1.682 0.000 0.258 350 T C 2.031 176.638 174.700 -0.155 0.000 1.051 350 T CA 1.331 63.367 62.100 -0.108 0.000 1.155 350 T CB -0.518 68.272 68.868 -0.129 0.000 0.864 350 T HN 0.312 nan 8.240 nan 0.000 0.413 351 A N 1.215 123.865 122.820 -0.283 0.000 1.902 351 A HA 0.076 3.387 4.320 -1.682 0.000 0.217 351 A C 2.216 179.712 177.584 -0.148 0.000 1.181 351 A CA 1.138 52.883 52.037 -0.487 0.000 0.623 351 A CB -0.867 17.486 19.000 -1.078 0.000 0.818 351 A HN 0.476 nan 8.150 nan 0.000 0.443 352 L N -1.200 119.994 121.223 -0.049 0.000 2.552 352 L HA 0.007 3.338 4.340 -1.682 0.000 0.227 352 L C 2.151 179.061 176.870 0.067 0.000 1.146 352 L CA 0.637 55.529 54.840 0.086 0.000 0.858 352 L CB -0.212 41.884 42.059 0.061 0.000 0.969 352 L HN 0.438 nan 8.230 nan 0.000 0.451 353 A N -1.740 121.095 122.820 0.025 0.000 2.465 353 A HA 0.061 3.372 4.320 -1.682 0.000 0.255 353 A C 0.220 177.821 177.584 0.028 0.000 1.274 353 A CA -0.210 51.842 52.037 0.025 0.000 0.920 353 A CB -0.076 18.928 19.000 0.006 0.000 1.033 353 A HN 0.146 nan 8.150 nan 0.000 0.516 354 D N 0.709 121.139 120.400 0.051 0.000 2.349 354 D HA 0.249 3.881 4.640 -1.682 0.000 0.232 354 D C -1.832 174.530 176.300 0.104 0.000 1.071 354 D CA -1.663 52.373 54.000 0.060 0.000 0.832 354 D CB 1.929 42.754 40.800 0.041 0.000 1.086 354 D HN -0.012 nan 8.370 nan 0.000 0.504 355 P HA -0.171 nan 4.420 nan 0.000 0.216 355 P C 0.937 178.283 177.300 0.077 0.000 1.150 355 P CA 1.286 64.423 63.100 0.062 0.000 0.837 355 P CB 0.600 32.322 31.700 0.037 0.000 0.786 356 Q N -1.500 118.349 119.800 0.082 0.000 2.083 356 Q HA -0.070 3.261 4.340 -1.682 0.000 0.198 356 Q C 2.054 178.142 176.000 0.146 0.000 0.969 356 Q CA 0.996 56.850 55.803 0.086 0.000 0.838 356 Q CB -1.007 27.761 28.738 0.049 0.000 0.900 356 Q HN 0.163 nan 8.270 nan 0.000 0.436 357 F N 0.225 120.187 119.950 0.020 0.000 2.134 357 F HA -0.192 3.326 4.527 -1.681 0.000 0.299 357 F C 1.852 177.750 175.800 0.163 0.000 1.097 357 F CA 0.935 58.973 58.000 0.063 0.000 1.264 357 F CB -0.167 38.827 39.000 -0.011 0.000 1.001 357 F HN -0.150 nan 8.300 nan 0.000 0.479 358 V N 0.218 120.246 119.914 0.188 0.000 2.343 358 V HA -0.306 2.805 4.120 -1.682 0.000 0.247 358 V C 2.690 178.787 176.094 0.006 0.000 1.051 358 V CA 1.782 64.130 62.300 0.080 0.000 1.036 358 V CB -1.450 30.427 31.823 0.090 0.000 0.654 358 V HN 0.454 nan 8.190 nan 0.000 0.451 359 A N -1.080 121.762 122.820 0.037 0.000 1.933 359 A HA -0.278 3.033 4.320 -1.682 0.000 0.218 359 A C 1.945 179.533 177.584 0.007 0.000 1.175 359 A CA 1.890 53.936 52.037 0.015 0.000 0.628 359 A CB -0.863 18.159 19.000 0.035 0.000 0.814 359 A HN 0.758 nan 8.150 nan 0.000 0.444 360 W N 0.731 121.925 121.300 -0.177 0.000 2.355 360 W HA -0.152 3.500 4.660 -1.681 0.000 0.309 360 W C 1.697 178.060 176.519 -0.261 0.000 1.206 360 W CA 1.839 59.055 57.345 -0.216 0.000 1.284 360 W CB -0.393 28.904 29.460 -0.271 0.000 1.145 360 W HN 0.241 nan 8.180 nan 0.000 0.502 361 L N 0.486 121.510 121.223 -0.331 0.000 2.043 361 L HA -0.183 3.148 4.340 -1.682 0.000 0.212 361 L C 2.486 179.116 176.870 -0.399 0.000 1.075 361 L CA 1.669 56.216 54.840 -0.489 0.000 0.752 361 L CB -1.410 40.479 42.059 -0.284 0.000 0.891 361 L HN 0.299 nan 8.230 nan 0.000 0.432 362 G N -1.978 106.668 108.800 -0.258 0.000 2.985 362 G HA2 -0.115 2.836 3.960 -1.682 0.000 0.209 362 G HA3 -0.115 2.836 3.960 -1.682 0.000 0.209 362 G C 0.192 174.978 174.900 -0.190 0.000 1.165 362 G CA -0.192 44.791 45.100 -0.195 0.000 0.776 362 G HN 0.169 nan 8.290 nan 0.000 0.541 363 D N 0.900 121.158 120.400 -0.237 0.000 2.365 363 D HA 0.073 3.704 4.640 -1.682 0.000 0.237 363 D C 1.280 177.450 176.300 -0.217 0.000 1.190 363 D CA -0.442 53.445 54.000 -0.189 0.000 0.867 363 D CB 0.790 41.498 40.800 -0.153 0.000 1.050 363 D HN 0.114 nan 8.370 nan 0.000 0.491 364 E N 2.252 122.359 120.200 -0.154 0.000 2.267 364 E HA -0.180 3.161 4.350 -1.682 0.000 0.197 364 E C 1.155 177.685 176.600 -0.116 0.000 0.998 364 E CA 1.168 57.487 56.400 -0.135 0.000 0.830 364 E CB 0.238 29.881 29.700 -0.096 0.000 0.751 364 E HN 0.618 nan 8.360 nan 0.000 0.491 365 T N -1.653 112.841 114.554 -0.100 0.000 3.088 365 T HA 0.058 3.399 4.350 -1.682 0.000 0.259 365 T C 0.741 175.402 174.700 -0.066 0.000 1.122 365 T CA -0.085 61.977 62.100 -0.063 0.000 1.095 365 T CB 0.181 69.029 68.868 -0.034 0.000 0.930 365 T HN -0.180 nan 8.240 nan 0.000 0.508 366 K N 2.809 123.123 120.400 -0.142 0.000 2.263 366 K HA 0.358 3.669 4.320 -1.682 0.000 0.282 366 K C -0.322 176.146 176.600 -0.219 0.000 1.089 366 K CA -0.324 55.863 56.287 -0.166 0.000 0.907 366 K CB 1.026 33.285 32.500 -0.402 0.000 1.148 366 K HN 0.190 nan 8.250 nan 0.000 0.470 367 K N 2.599 122.964 120.400 -0.059 0.000 2.205 367 K HA 0.288 3.599 4.320 -1.682 0.000 0.279 367 K C -0.118 176.488 176.600 0.010 0.000 1.027 367 K CA -0.650 55.616 56.287 -0.036 0.000 0.932 367 K CB 0.932 33.446 32.500 0.024 0.000 1.032 367 K HN 0.247 nan 8.250 nan 0.000 0.466 368 K N 0.584 120.970 120.400 -0.023 0.000 2.316 368 K HA 0.385 3.696 4.320 -1.682 0.000 0.251 368 K C -0.680 175.989 176.600 0.115 0.000 0.934 368 K CA -0.414 55.902 56.287 0.047 0.000 0.802 368 K CB 1.942 34.398 32.500 -0.072 0.000 1.171 368 K HN 0.318 nan 8.250 nan 0.000 0.426 369 S N 2.750 118.576 115.700 0.210 0.000 2.475 369 S HA 0.648 4.109 4.470 -1.682 0.000 0.298 369 S C -0.598 174.131 174.600 0.215 0.000 1.119 369 S CA -0.766 57.595 58.200 0.269 0.000 1.085 369 S CB 0.491 63.899 63.200 0.348 0.000 1.028 369 S HN 0.450 nan 8.310 nan 0.000 0.489 370 M N 1.950 121.636 119.600 0.145 0.000 2.779 370 M HA 0.536 4.007 4.480 -1.682 0.000 0.277 370 M C -1.666 174.677 176.300 0.072 0.000 1.284 370 M CA -0.670 54.690 55.300 0.098 0.000 0.801 370 M CB 1.922 34.542 32.600 0.033 0.000 1.712 370 M HN 0.637 nan 8.290 nan 0.000 0.453 371 F N 1.539 121.451 119.950 -0.065 0.000 2.477 371 F HA 0.369 3.887 4.527 -1.681 0.000 0.335 371 F C -0.302 175.447 175.800 -0.085 0.000 1.130 371 F CA -0.082 57.858 58.000 -0.099 0.000 0.948 371 F CB 0.849 39.806 39.000 -0.071 0.000 1.154 371 F HN 0.718 nan 8.300 nan 0.000 0.439 372 D N 3.402 123.538 120.400 -0.440 0.000 2.848 372 D HA -0.215 3.416 4.640 -1.682 0.000 0.245 372 D C 0.996 177.202 176.300 -0.157 0.000 1.122 372 D CA 0.992 54.827 54.000 -0.276 0.000 0.769 372 D CB -0.704 40.028 40.800 -0.114 0.000 1.025 372 D HN 0.628 nan 8.370 nan 0.000 0.423 373 S N 0.640 116.236 115.700 -0.174 0.000 2.423 373 S HA -0.226 3.235 4.470 -1.682 0.000 0.231 373 S C 1.878 176.372 174.600 -0.176 0.000 1.014 373 S CA 1.410 59.524 58.200 -0.143 0.000 0.965 373 S CB 0.013 63.133 63.200 -0.133 0.000 0.785 373 S HN 0.538 nan 8.310 nan 0.000 0.495 374 K N 1.859 122.144 120.400 -0.192 0.000 2.032 374 K HA -0.137 3.174 4.320 -1.682 0.000 0.209 374 K C 2.528 178.865 176.600 -0.437 0.000 1.048 374 K CA 1.379 57.537 56.287 -0.215 0.000 0.927 374 K CB -0.297 32.130 32.500 -0.122 0.000 0.712 374 K HN 0.462 nan 8.250 nan 0.000 0.441 375 R N 0.219 120.381 120.500 -0.563 0.000 2.094 375 R HA -0.197 3.134 4.340 -1.682 0.000 0.239 375 R C 2.118 178.085 176.300 -0.555 0.000 1.137 375 R CA 1.812 57.342 56.100 -0.950 0.000 0.943 375 R CB -0.521 29.529 30.300 -0.415 0.000 0.850 375 R HN 0.301 nan 8.270 nan 0.000 0.433 376 A N 0.655 123.308 122.820 -0.278 0.000 1.877 376 A HA -0.069 3.242 4.320 -1.682 0.000 0.216 376 A C 2.430 179.918 177.584 -0.161 0.000 1.186 376 A CA 1.704 53.647 52.037 -0.156 0.000 0.620 376 A CB -0.892 18.057 19.000 -0.084 0.000 0.822 376 A HN 0.598 nan 8.150 nan 0.000 0.443 377 A N -0.689 122.018 122.820 -0.190 0.000 1.902 377 A HA 0.002 3.313 4.320 -1.682 0.000 0.217 377 A C 2.240 179.716 177.584 -0.180 0.000 1.181 377 A CA 1.870 53.803 52.037 -0.172 0.000 0.623 377 A CB -0.848 18.054 19.000 -0.163 0.000 0.818 377 A HN 0.383 nan 8.150 nan 0.000 0.443 378 V N -0.365 119.434 119.914 -0.192 0.000 2.323 378 V HA -0.164 2.947 4.120 -1.682 0.000 0.244 378 V C 3.045 179.214 176.094 0.125 0.000 1.041 378 V CA 1.721 63.992 62.300 -0.049 0.000 1.025 378 V CB -1.133 30.721 31.823 0.051 0.000 0.656 378 V HN 0.600 nan 8.190 nan 0.000 0.451 379 A N -0.198 122.650 122.820 0.047 0.000 1.940 379 A HA -0.170 3.141 4.320 -1.682 0.000 0.219 379 A C 2.207 179.862 177.584 0.119 0.000 1.176 379 A CA 1.774 53.901 52.037 0.150 0.000 0.631 379 A CB -0.533 18.494 19.000 0.046 0.000 0.814 379 A HN 0.510 nan 8.150 nan 0.000 0.446 380 L N -0.875 120.350 121.223 0.004 0.000 2.056 380 L HA -0.183 3.148 4.340 -1.682 0.000 0.207 380 L C 2.552 179.364 176.870 -0.097 0.000 1.078 380 L CA 1.575 56.399 54.840 -0.027 0.000 0.749 380 L CB -0.405 41.619 42.059 -0.058 0.000 0.901 380 L HN 0.340 nan 8.230 nan 0.000 0.433 381 K N -0.672 119.571 120.400 -0.261 0.000 2.103 381 K HA -0.221 3.090 4.320 -1.682 0.000 0.207 381 K C 1.891 178.199 176.600 -0.487 0.000 1.048 381 K CA 1.825 57.722 56.287 -0.651 0.000 0.930 381 K CB -0.288 31.386 32.500 -1.377 0.000 0.716 381 K HN 0.283 nan 8.250 nan 0.000 0.444 382 W N 1.370 122.606 121.300 -0.107 0.000 2.421 382 W HA -0.099 3.552 4.660 -1.682 0.000 0.270 382 W C 1.446 178.015 176.519 0.083 0.000 1.233 382 W CA 0.741 58.188 57.345 0.170 0.000 1.226 382 W CB 0.189 29.758 29.460 0.183 0.000 1.121 382 W HN -0.035 nan 8.180 nan 0.000 0.579 383 K N -0.386 120.127 120.400 0.188 0.000 2.372 383 K HA 0.245 3.556 4.320 -1.682 0.000 0.200 383 K C 1.240 177.873 176.600 0.055 0.000 1.022 383 K CA 0.549 56.909 56.287 0.122 0.000 1.125 383 K CB 0.406 32.963 32.500 0.095 0.000 0.855 383 K HN 0.053 nan 8.250 nan 0.000 0.524 384 G N 2.149 110.952 108.800 0.006 0.000 2.176 384 G HA2 -0.261 2.690 3.960 -1.682 0.000 0.252 384 G HA3 -0.261 2.690 3.960 -1.682 0.000 0.252 384 G C -0.051 174.819 174.900 -0.049 0.000 1.024 384 G CA 0.025 45.109 45.100 -0.027 0.000 0.755 384 G HN 0.275 nan 8.290 nan 0.000 0.507 385 I N 0.153 120.680 120.570 -0.071 0.000 2.406 385 I HA 0.383 3.544 4.170 -1.682 0.000 0.290 385 I C 0.269 176.317 176.117 -0.114 0.000 0.999 385 I CA -0.786 60.476 61.300 -0.064 0.000 1.124 385 I CB 1.895 39.884 38.000 -0.018 0.000 1.289 385 I HN 0.203 nan 8.210 nan 0.000 0.441 386 E N 6.049 126.182 120.200 -0.112 0.000 2.227 386 E HA 0.393 3.734 4.350 -1.682 0.000 0.282 386 E C -1.278 175.235 176.600 -0.145 0.000 1.015 386 E CA -0.640 55.678 56.400 -0.138 0.000 0.823 386 E CB 1.465 31.093 29.700 -0.121 0.000 1.081 386 E HN 0.414 nan 8.360 nan 0.000 0.396 390 V N 3.050 122.894 119.914 -0.117 0.000 2.421 390 V HA 0.306 3.417 4.120 -1.682 0.000 0.271 390 V C 1.531 177.606 176.094 -0.031 0.000 1.031 390 V CA 1.202 63.458 62.300 -0.074 0.000 1.032 390 V CB 0.897 32.667 31.823 -0.088 0.000 1.009 390 V HN 0.514 nan 8.190 nan 0.000 0.477 391 S N 4.098 119.811 115.700 0.021 0.000 2.511 391 S HA 0.273 3.734 4.470 -1.682 0.000 0.214 391 S C -0.097 174.599 174.600 0.159 0.000 0.997 391 S CA -0.128 58.109 58.200 0.061 0.000 0.908 391 S CB 0.191 63.424 63.200 0.056 0.000 0.803 391 S HN 0.548 nan 8.310 nan 0.000 0.504 392 F N 1.871 121.805 119.950 -0.027 0.000 2.630 392 F HA 0.523 4.041 4.527 -1.682 0.000 0.325 392 F C -2.043 173.732 175.800 -0.040 0.000 1.184 392 F CA -1.046 56.938 58.000 -0.027 0.000 1.011 392 F CB 1.732 40.721 39.000 -0.019 0.000 1.268 392 F HN -0.034 nan 8.300 nan 0.000 0.480 393 D N 6.148 126.121 120.400 -0.713 0.000 2.440 393 D HA 0.160 3.791 4.640 -1.682 0.000 0.239 393 D C 0.578 176.297 176.300 -0.969 0.000 1.084 393 D CA -0.277 53.342 54.000 -0.635 0.000 0.843 393 D CB 1.757 42.323 40.800 -0.390 0.000 1.097 393 D HN 0.681 nan 8.370 nan 0.000 0.531 394 L N 5.325 126.057 121.223 -0.819 0.000 2.141 394 L HA -0.070 3.261 4.340 -1.682 0.000 0.209 394 L C 1.827 178.412 176.870 -0.476 0.000 1.094 394 L CA 1.365 55.825 54.840 -0.634 0.000 0.763 394 L CB -0.597 41.398 42.059 -0.108 0.000 0.908 394 L HN 0.509 nan 8.230 nan 0.000 0.437 395 L N -0.745 120.032 121.223 -0.744 0.000 1.994 395 L HA -0.201 3.130 4.340 -1.682 0.000 0.208 395 L C 2.292 178.959 176.870 -0.339 0.000 1.071 395 L CA 1.965 56.318 54.840 -0.813 0.000 0.745 395 L CB -0.681 40.623 42.059 -1.257 0.000 0.892 395 L HN 0.283 nan 8.230 nan 0.000 0.431 396 L N -0.681 120.345 121.223 -0.327 0.000 2.083 396 L HA -0.158 3.174 4.340 -1.682 0.000 0.209 396 L C 2.693 179.553 176.870 -0.017 0.000 1.083 396 L CA 1.066 55.834 54.840 -0.120 0.000 0.752 396 L CB -1.051 40.920 42.059 -0.147 0.000 0.899 396 L HN 0.402 nan 8.230 nan 0.000 0.433 397 A N 0.349 123.084 122.820 -0.143 0.000 1.883 397 A HA -0.206 3.105 4.320 -1.682 0.000 0.217 397 A C 2.549 180.282 177.584 0.248 0.000 1.186 397 A CA 1.947 54.015 52.037 0.051 0.000 0.624 397 A CB -0.742 18.267 19.000 0.015 0.000 0.822 397 A HN 0.400 nan 8.150 nan 0.000 0.444 398 A N -1.740 121.210 122.820 0.217 0.000 1.930 398 A HA -0.081 3.230 4.320 -1.682 0.000 0.217 398 A C 2.129 179.881 177.584 0.280 0.000 1.175 398 A CA 1.659 53.925 52.037 0.381 0.000 0.627 398 A CB -0.814 18.384 19.000 0.331 0.000 0.815 398 A HN 0.718 nan 8.150 nan 0.000 0.443 399 Y N 0.718 121.066 120.300 0.079 0.000 2.165 399 Y HA -0.203 3.338 4.550 -1.682 0.000 0.286 399 Y C 1.928 177.872 175.900 0.073 0.000 1.155 399 Y CA 1.858 59.995 58.100 0.061 0.000 1.164 399 Y CB -0.357 38.108 38.460 0.009 0.000 0.978 399 Y HN 0.230 nan 8.280 nan 0.000 0.513 400 L N -0.879 120.353 121.223 0.016 0.000 2.056 400 L HA -0.217 3.115 4.340 -1.682 0.000 0.207 400 L C 2.481 179.330 176.870 -0.035 0.000 1.078 400 L CA 1.026 55.817 54.840 -0.082 0.000 0.749 400 L CB -0.624 41.449 42.059 0.023 0.000 0.901 400 L HN 0.262 nan 8.230 nan 0.000 0.433 401 L N -0.833 120.431 121.223 0.068 0.000 2.083 401 L HA -0.103 3.228 4.340 -1.682 0.000 0.209 401 L C 0.298 177.245 176.870 0.128 0.000 1.083 401 L CA 0.975 55.865 54.840 0.083 0.000 0.752 401 L CB -0.072 42.045 42.059 0.097 0.000 0.899 401 L HN 0.278 nan 8.230 nan 0.000 0.433 402 D N -2.279 118.187 120.400 0.110 0.000 2.296 402 D HA 0.136 3.767 4.640 -1.682 0.000 0.224 402 D C -2.189 174.169 176.300 0.096 0.000 1.324 402 D CA -1.170 52.919 54.000 0.148 0.000 0.940 402 D CB 1.262 42.151 40.800 0.148 0.000 1.492 402 D HN -0.252 nan 8.370 nan 0.000 0.531 403 P HA 0.016 nan 4.420 nan 0.000 0.222 403 P C 1.053 178.436 177.300 0.138 0.000 1.147 403 P CA 0.772 63.891 63.100 0.031 0.000 0.790 403 P CB 0.325 31.953 31.700 -0.121 0.000 0.780 404 A N -0.593 122.300 122.820 0.122 0.000 2.168 404 A HA -0.135 3.176 4.320 -1.682 0.000 0.215 404 A C 2.110 179.762 177.584 0.113 0.000 1.152 404 A CA 0.930 53.037 52.037 0.117 0.000 0.716 404 A CB -0.815 18.253 19.000 0.112 0.000 0.794 404 A HN 0.060 nan 8.150 nan 0.000 0.465 405 Q N -0.919 118.956 119.800 0.124 0.000 2.291 405 Q HA -0.028 3.303 4.340 -1.682 0.000 0.205 405 Q C 1.424 177.502 176.000 0.131 0.000 0.970 405 Q CA 0.952 56.826 55.803 0.119 0.000 0.876 405 Q CB -0.493 28.324 28.738 0.132 0.000 0.935 405 Q HN 0.961 nan 8.270 nan 0.000 0.455 406 G N 0.720 109.612 108.800 0.153 0.000 2.198 406 G HA2 -0.269 2.682 3.960 -1.682 0.000 0.260 406 G HA3 -0.269 2.682 3.960 -1.682 0.000 0.260 406 G C 0.174 175.169 174.900 0.158 0.000 1.025 406 G CA 0.344 45.532 45.100 0.147 0.000 0.769 406 G HN 0.231 nan 8.290 nan 0.000 0.507 407 V N 1.438 121.466 119.914 0.190 0.000 2.509 407 V HA 0.281 3.392 4.120 -1.682 0.000 0.297 407 V C 1.116 177.358 176.094 0.247 0.000 1.014 407 V CA 1.449 63.883 62.300 0.223 0.000 1.127 407 V CB 0.987 32.971 31.823 0.268 0.000 0.925 407 V HN 0.664 nan 8.190 nan 0.000 0.480 408 D N 1.898 122.449 120.400 0.252 0.000 2.562 408 D HA 0.155 3.786 4.640 -1.682 0.000 0.246 408 D C -0.213 176.264 176.300 0.294 0.000 1.347 408 D CA -0.208 53.962 54.000 0.283 0.000 0.800 408 D CB 0.438 41.343 40.800 0.176 0.000 1.111 408 D HN 0.634 nan 8.370 nan 0.000 0.508 409 D N -1.715 118.786 120.400 0.169 0.000 2.615 409 D HA 0.113 3.744 4.640 -1.682 0.000 0.267 409 D C 0.912 176.835 176.300 -0.629 0.000 1.236 409 D CA -0.814 53.032 54.000 -0.257 0.000 0.839 409 D CB 1.255 42.006 40.800 -0.082 0.000 1.380 409 D HN -0.236 nan 8.370 nan 0.000 0.433 410 V N 0.699 120.023 119.914 -0.984 0.000 2.332 410 V HA -0.207 2.904 4.120 -1.682 0.000 0.248 410 V C 2.618 178.585 176.094 -0.213 0.000 1.055 410 V CA 2.860 64.746 62.300 -0.689 0.000 1.038 410 V CB -1.156 30.364 31.823 -0.505 0.000 0.651 410 V HN 0.794 nan 8.190 nan 0.000 0.450 411 A N -0.022 122.734 122.820 -0.106 0.000 1.908 411 A HA -0.189 3.122 4.320 -1.682 0.000 0.218 411 A C 2.431 180.053 177.584 0.065 0.000 1.181 411 A CA 2.347 54.400 52.037 0.026 0.000 0.627 411 A CB -0.822 18.208 19.000 0.050 0.000 0.818 411 A HN 0.604 nan 8.150 nan 0.000 0.445 412 A N -0.350 122.503 122.820 0.056 0.000 1.898 412 A HA 0.192 3.503 4.320 -1.682 0.000 0.216 412 A C 2.502 180.185 177.584 0.166 0.000 1.181 412 A CA 2.033 54.136 52.037 0.111 0.000 0.620 412 A CB -0.972 18.101 19.000 0.121 0.000 0.819 412 A HN 1.066 nan 8.150 nan 0.000 0.442 413 A N -0.089 122.839 122.820 0.180 0.000 1.902 413 A HA 0.175 3.486 4.320 -1.682 0.000 0.217 413 A C 2.493 180.266 177.584 0.315 0.000 1.181 413 A CA 2.006 54.206 52.037 0.270 0.000 0.623 413 A CB -0.999 18.124 19.000 0.206 0.000 0.818 413 A HN 1.057 nan 8.150 nan 0.000 0.443 414 A N -0.165 122.769 122.820 0.189 0.000 1.972 414 A HA -0.170 3.141 4.320 -1.682 0.000 0.219 414 A C 2.063 179.807 177.584 0.267 0.000 1.169 414 A CA 2.102 54.273 52.037 0.223 0.000 0.635 414 A CB -0.448 18.659 19.000 0.179 0.000 0.810 414 A HN 0.550 nan 8.150 nan 0.000 0.446 415 K N -0.559 119.965 120.400 0.207 0.000 2.152 415 K HA -0.090 3.221 4.320 -1.682 0.000 0.206 415 K C 1.826 178.512 176.600 0.143 0.000 1.048 415 K CA 1.687 58.069 56.287 0.159 0.000 0.933 415 K CB -0.307 32.265 32.500 0.121 0.000 0.721 415 K HN 0.519 nan 8.250 nan 0.000 0.447 416 M N 0.184 119.890 119.600 0.177 0.000 2.446 416 M HA -0.102 3.369 4.480 -1.682 0.000 0.263 416 M C 0.687 177.009 176.300 0.036 0.000 1.066 416 M CA 1.259 56.621 55.300 0.104 0.000 1.087 416 M CB 0.301 32.982 32.600 0.135 0.000 1.406 416 M HN -0.073 nan 8.290 nan 0.000 0.459 417 K N 0.126 120.593 120.400 0.111 0.000 2.646 417 K HA 0.169 3.480 4.320 -1.682 0.000 0.206 417 K C -0.093 176.584 176.600 0.128 0.000 1.069 417 K CA 0.045 56.380 56.287 0.080 0.000 1.067 417 K CB 0.880 33.444 32.500 0.106 0.000 0.807 417 K HN 0.186 nan 8.250 nan 0.000 0.482 418 Q N -0.739 119.132 119.800 0.118 0.000 2.494 418 Q HA -0.262 3.070 4.340 -1.682 0.000 0.272 418 Q C -0.688 175.394 176.000 0.136 0.000 1.145 418 Q CA 0.926 56.788 55.803 0.098 0.000 0.943 418 Q CB -2.792 25.979 28.738 0.055 0.000 1.338 418 Q HN 0.518 nan 8.270 nan 0.000 0.492 419 Y N 0.212 120.555 120.300 0.072 0.000 2.335 419 Y HA 0.275 3.816 4.550 -1.681 0.000 0.339 419 Y C 0.959 176.897 175.900 0.063 0.000 0.987 419 Y CA -0.111 58.033 58.100 0.073 0.000 1.140 419 Y CB 0.793 39.312 38.460 0.100 0.000 1.173 419 Y HN 0.026 nan 8.280 nan 0.000 0.486 420 E N 3.509 123.675 120.200 -0.058 0.000 2.676 420 E HA 0.205 3.546 4.350 -1.682 0.000 0.222 420 E C 0.380 176.960 176.600 -0.033 0.000 0.968 420 E CA -0.063 56.350 56.400 0.022 0.000 1.090 420 E CB 0.917 30.617 29.700 -0.001 0.000 1.066 420 E HN 0.646 nan 8.360 nan 0.000 0.496 421 A N 1.535 124.231 122.820 -0.205 0.000 2.543 421 A HA 0.287 3.599 4.320 -1.682 0.000 0.258 421 A C 0.052 177.719 177.584 0.138 0.000 1.391 421 A CA 0.078 52.050 52.037 -0.109 0.000 1.066 421 A CB -0.025 18.798 19.000 -0.296 0.000 0.972 421 A HN 0.086 nan 8.150 nan 0.000 0.560 422 V N -0.527 119.493 119.914 0.177 0.000 2.969 422 V HA 0.468 3.579 4.120 -1.682 0.000 0.304 422 V C -0.821 175.353 176.094 0.134 0.000 1.192 422 V CA -1.020 61.388 62.300 0.179 0.000 0.962 422 V CB 1.993 33.936 31.823 0.200 0.000 1.045 422 V HN 0.652 nan 8.190 nan 0.000 0.428 423 R N 5.030 125.615 120.500 0.142 0.000 2.500 423 R HA 0.531 3.862 4.340 -1.682 0.000 0.275 423 R C -2.533 173.816 176.300 0.081 0.000 1.051 423 R CA -1.607 54.529 56.100 0.060 0.000 1.088 423 R CB 0.850 31.117 30.300 -0.056 0.000 1.063 423 R HN 0.510 nan 8.270 nan 0.000 0.511 424 P HA 0.013 nan 4.420 nan 0.000 0.271 424 P C -0.347 176.934 177.300 -0.033 0.000 1.216 424 P CA -0.092 63.020 63.100 0.019 0.000 0.776 424 P CB 0.618 32.325 31.700 0.011 0.000 0.881 425 D N 1.505 121.939 120.400 0.056 0.000 2.158 425 D HA -0.202 3.430 4.640 -1.682 0.000 0.197 425 D C 1.564 177.884 176.300 0.034 0.000 0.995 425 D CA 1.466 55.526 54.000 0.101 0.000 0.846 425 D CB -0.118 40.859 40.800 0.295 0.000 0.941 425 D HN 0.592 nan 8.370 nan 0.000 0.456 426 E N 0.016 120.244 120.200 0.046 0.000 2.106 426 E HA -0.098 3.244 4.350 -1.682 0.000 0.192 426 E C 1.962 178.544 176.600 -0.030 0.000 0.984 426 E CA 0.889 57.315 56.400 0.044 0.000 0.806 426 E CB 0.026 29.753 29.700 0.045 0.000 0.750 426 E HN 0.199 nan 8.360 nan 0.000 0.458 427 A N 0.038 122.807 122.820 -0.086 0.000 2.019 427 A HA -0.109 3.202 4.320 -1.682 0.000 0.219 427 A C 2.224 179.686 177.584 -0.204 0.000 1.164 427 A CA 1.184 53.151 52.037 -0.117 0.000 0.644 427 A CB -0.155 18.779 19.000 -0.110 0.000 0.805 427 A HN 0.211 nan 8.150 nan 0.000 0.449 428 V N -2.305 117.387 119.914 -0.371 0.000 2.500 428 V HA -0.110 3.001 4.120 -1.682 0.000 0.243 428 V C 1.994 177.816 176.094 -0.454 0.000 1.039 428 V CA 1.299 63.252 62.300 -0.579 0.000 1.053 428 V CB -0.767 30.358 31.823 -1.163 0.000 0.695 428 V HN 0.694 nan 8.190 nan 0.000 0.463 429 Y N 0.326 120.573 120.300 -0.088 0.000 2.478 429 Y HA 0.495 4.036 4.550 -1.682 0.000 0.261 429 Y C 1.617 177.502 175.900 -0.024 0.000 1.127 429 Y CA 0.368 58.446 58.100 -0.037 0.000 1.288 429 Y CB 0.263 38.718 38.460 -0.008 0.000 1.084 429 Y HN 0.364 nan 8.280 nan 0.000 0.530 430 G N 1.862 110.710 108.800 0.080 0.000 2.750 430 G HA2 -0.256 2.695 3.960 -1.682 0.000 0.228 430 G HA3 -0.256 2.695 3.960 -1.682 0.000 0.228 430 G C -0.786 174.158 174.900 0.073 0.000 1.367 430 G CA -0.180 44.952 45.100 0.054 0.000 0.871 430 G HN 0.384 nan 8.290 nan 0.000 0.560 431 K N -0.873 119.557 120.400 0.049 0.000 2.508 431 K HA 0.769 4.081 4.320 -1.682 0.000 0.260 431 K C 0.982 177.601 176.600 0.031 0.000 0.949 431 K CA 0.133 56.447 56.287 0.045 0.000 0.834 431 K CB 1.716 34.240 32.500 0.040 0.000 1.365 431 K HN 2.551 nan 8.250 nan 0.000 0.437 432 G N 1.492 110.308 108.800 0.026 0.000 2.596 432 G HA2 -0.465 2.486 3.960 -1.682 0.000 0.304 432 G HA3 -0.465 2.486 3.960 -1.682 0.000 0.304 432 G C 1.037 175.946 174.900 0.015 0.000 1.189 432 G CA 1.215 46.325 45.100 0.017 0.000 0.986 432 G HN 1.152 nan 8.290 nan 0.000 0.548 433 A N -0.688 122.139 122.820 0.013 0.000 1.930 433 A HA 0.115 3.427 4.320 -1.682 0.000 0.217 433 A C 2.172 179.764 177.584 0.014 0.000 1.175 433 A CA 2.613 54.656 52.037 0.010 0.000 0.627 433 A CB -0.369 18.636 19.000 0.008 0.000 0.815 433 A HN 0.631 nan 8.150 nan 0.000 0.443 434 K N -0.194 120.216 120.400 0.017 0.000 2.486 434 K HA 0.074 3.385 4.320 -1.682 0.000 0.194 434 K C 0.984 177.602 176.600 0.030 0.000 1.033 434 K CA -0.010 56.289 56.287 0.020 0.000 1.004 434 K CB -0.101 32.410 32.500 0.018 0.000 0.798 434 K HN 0.415 nan 8.250 nan 0.000 0.495 435 R N 0.982 121.502 120.500 0.034 0.000 2.570 435 R HA 0.277 3.608 4.340 -1.682 0.000 0.277 435 R C -0.835 175.495 176.300 0.050 0.000 1.039 435 R CA 0.479 56.610 56.100 0.051 0.000 1.065 435 R CB 0.317 30.640 30.300 0.037 0.000 0.964 435 R HN 0.166 nan 8.270 nan 0.000 0.428 436 A N 3.065 125.936 122.820 0.085 0.000 2.586 436 A HA 0.243 3.554 4.320 -1.682 0.000 0.296 436 A C -1.279 176.399 177.584 0.157 0.000 1.040 436 A CA -0.792 51.293 52.037 0.080 0.000 0.701 436 A CB 1.061 20.094 19.000 0.055 0.000 1.277 436 A HN 0.431 nan 8.150 nan 0.000 0.413 437 V N 3.817 123.810 119.914 0.132 0.000 2.521 437 V HA 0.366 3.477 4.120 -1.682 0.000 0.286 437 V C -1.275 174.909 176.094 0.149 0.000 1.034 437 V CA -0.414 62.010 62.300 0.207 0.000 1.045 437 V CB 0.416 32.317 31.823 0.129 0.000 0.974 437 V HN 0.860 nan 8.190 nan 0.000 0.480 438 P HA 0.278 nan 4.420 nan 0.000 0.277 438 P C -0.630 176.697 177.300 0.045 0.000 1.271 438 P CA -0.684 62.449 63.100 0.055 0.000 0.795 438 P CB 0.615 32.313 31.700 -0.004 0.000 1.101 439 D N -0.003 120.408 120.400 0.017 0.000 2.419 439 D HA -0.057 3.574 4.640 -1.682 0.000 0.236 439 D C 1.362 177.656 176.300 -0.010 0.000 1.165 439 D CA 0.113 54.118 54.000 0.009 0.000 0.882 439 D CB 0.370 41.169 40.800 -0.001 0.000 1.201 439 D HN 0.507 nan 8.370 nan 0.000 0.443 440 E N 1.183 121.373 120.200 -0.016 0.000 2.114 440 E HA -0.202 3.139 4.350 -1.682 0.000 0.199 440 E C -0.944 175.564 176.600 -0.152 0.000 1.008 440 E CA 1.269 57.624 56.400 -0.074 0.000 0.810 440 E CB -0.337 29.337 29.700 -0.043 0.000 0.739 440 E HN 0.292 nan 8.360 nan 0.000 0.456 441 P HA -0.144 nan 4.420 nan 0.000 0.215 441 P C 1.450 178.720 177.300 -0.049 0.000 1.153 441 P CA 1.058 64.124 63.100 -0.056 0.000 0.853 441 P CB 0.054 31.738 31.700 -0.027 0.000 0.788 442 V N -0.571 119.313 119.914 -0.051 0.000 2.379 442 V HA -0.178 2.933 4.120 -1.682 0.000 0.245 442 V C 2.384 178.443 176.094 -0.059 0.000 1.044 442 V CA 1.351 63.622 62.300 -0.049 0.000 1.036 442 V CB -1.184 30.604 31.823 -0.057 0.000 0.664 442 V HN 0.043 nan 8.190 nan 0.000 0.453 443 L N 1.136 122.322 121.223 -0.062 0.000 2.017 443 L HA -0.066 3.265 4.340 -1.682 0.000 0.208 443 L C 2.447 179.263 176.870 -0.091 0.000 1.073 443 L CA 2.489 57.326 54.840 -0.004 0.000 0.745 443 L CB -0.970 41.129 42.059 0.067 0.000 0.894 443 L HN 0.197 nan 8.230 nan 0.000 0.432 444 A N -0.533 122.041 122.820 -0.410 0.000 1.902 444 A HA -0.260 3.051 4.320 -1.682 0.000 0.217 444 A C 2.246 179.502 177.584 -0.547 0.000 1.181 444 A CA 1.737 53.310 52.037 -0.773 0.000 0.623 444 A CB -0.829 17.374 19.000 -1.330 0.000 0.818 444 A HN 0.629 nan 8.150 nan 0.000 0.443 445 E N -0.494 119.531 120.200 -0.291 0.000 2.085 445 E HA -0.276 3.065 4.350 -1.682 0.000 0.194 445 E C 1.814 178.359 176.600 -0.092 0.000 0.994 445 E CA 2.007 58.317 56.400 -0.150 0.000 0.801 445 E CB -0.449 29.296 29.700 0.074 0.000 0.743 445 E HN 0.745 nan 8.360 nan 0.000 0.453 446 H N 0.133 119.119 119.070 -0.140 0.000 2.326 446 H HA 0.000 3.547 4.556 -1.682 0.000 0.301 446 H C 1.900 177.188 175.328 -0.067 0.000 1.081 446 H CA 2.116 58.103 56.048 -0.102 0.000 1.334 446 H CB -0.323 29.356 29.762 -0.138 0.000 1.385 446 H HN 0.224 nan 8.280 nan 0.000 0.504 447 L N -0.598 120.538 121.223 -0.145 0.000 2.083 447 L HA -0.139 3.192 4.340 -1.682 0.000 0.209 447 L C 2.549 179.333 176.870 -0.143 0.000 1.083 447 L CA 1.051 55.810 54.840 -0.135 0.000 0.752 447 L CB -0.530 41.578 42.059 0.082 0.000 0.899 447 L HN 0.199 nan 8.230 nan 0.000 0.433 448 V N -0.088 119.704 119.914 -0.204 0.000 2.358 448 V HA -0.239 2.872 4.120 -1.682 0.000 0.246 448 V C 2.637 178.667 176.094 -0.107 0.000 1.047 448 V CA 1.612 63.786 62.300 -0.210 0.000 1.035 448 V CB -0.577 30.965 31.823 -0.469 0.000 0.658 448 V HN 0.404 nan 8.190 nan 0.000 0.452 449 R N -0.142 120.304 120.500 -0.090 0.000 2.096 449 R HA -0.126 3.205 4.340 -1.682 0.000 0.235 449 R C 2.423 178.712 176.300 -0.019 0.000 1.127 449 R CA 1.231 57.333 56.100 0.003 0.000 0.968 449 R CB -0.243 30.088 30.300 0.051 0.000 0.861 449 R HN 0.496 nan 8.270 nan 0.000 0.440 450 K N 0.198 120.515 120.400 -0.138 0.000 2.025 450 K HA -0.069 3.242 4.320 -1.682 0.000 0.207 450 K C 2.173 178.735 176.600 -0.064 0.000 1.049 450 K CA 1.310 57.506 56.287 -0.152 0.000 0.933 450 K CB -0.141 32.196 32.500 -0.272 0.000 0.714 450 K HN 0.122 nan 8.250 nan 0.000 0.438 451 A N 1.641 124.439 122.820 -0.035 0.000 1.902 451 A HA -0.139 3.173 4.320 -1.682 0.000 0.217 451 A C 2.380 180.008 177.584 0.073 0.000 1.181 451 A CA 1.955 54.009 52.037 0.029 0.000 0.623 451 A CB -0.634 18.376 19.000 0.016 0.000 0.818 451 A HN 0.348 nan 8.150 nan 0.000 0.443 452 A N -0.283 122.570 122.820 0.056 0.000 1.930 452 A HA 0.200 3.511 4.320 -1.682 0.000 0.217 452 A C 2.477 180.133 177.584 0.119 0.000 1.175 452 A CA 1.953 54.070 52.037 0.134 0.000 0.627 452 A CB -0.915 18.171 19.000 0.143 0.000 0.815 452 A HN 1.008 nan 8.150 nan 0.000 0.443 453 A N 0.145 122.943 122.820 -0.037 0.000 1.877 453 A HA -0.083 3.228 4.320 -1.682 0.000 0.216 453 A C 2.096 179.542 177.584 -0.231 0.000 1.186 453 A CA 1.514 53.294 52.037 -0.428 0.000 0.620 453 A CB -0.646 18.098 19.000 -0.428 0.000 0.822 453 A HN 0.479 nan 8.150 nan 0.000 0.443 454 I N -1.719 118.829 120.570 -0.036 0.000 2.163 454 I HA -0.322 2.839 4.170 -1.682 0.000 0.243 454 I C 2.522 178.725 176.117 0.143 0.000 1.085 454 I CA 1.631 62.980 61.300 0.082 0.000 1.347 454 I CB -0.373 37.724 38.000 0.162 0.000 1.044 454 I HN 0.693 nan 8.210 nan 0.000 0.408 455 W N 1.997 123.283 121.300 -0.023 0.000 2.318 455 W HA -0.318 3.333 4.660 -1.681 0.000 0.313 455 W C 2.481 178.977 176.519 -0.037 0.000 1.221 455 W CA 2.164 59.501 57.345 -0.012 0.000 1.266 455 W CB -0.025 29.444 29.460 0.016 0.000 1.150 455 W HN 0.197 nan 8.180 nan 0.000 0.496 456 E N 0.457 120.678 120.200 0.035 0.000 2.152 456 E HA -0.150 3.192 4.350 -1.682 0.000 0.192 456 E C 2.127 178.676 176.600 -0.086 0.000 0.983 456 E CA 1.421 57.794 56.400 -0.045 0.000 0.818 456 E CB -0.789 28.960 29.700 0.081 0.000 0.758 456 E HN 0.340 nan 8.360 nan 0.000 0.467 457 L N 0.312 121.483 121.223 -0.088 0.000 2.446 457 L HA 0.118 3.449 4.340 -1.682 0.000 0.219 457 L C 2.386 179.256 176.870 0.000 0.000 1.116 457 L CA 0.610 55.471 54.840 0.034 0.000 0.844 457 L CB -0.282 41.799 42.059 0.036 0.000 0.970 457 L HN 0.226 nan 8.230 nan 0.000 0.457 458 E N 1.121 121.155 120.200 -0.276 0.000 2.065 458 E HA -0.335 3.006 4.350 -1.682 0.000 0.201 458 E C 2.328 178.633 176.600 -0.491 0.000 1.016 458 E CA 1.833 57.753 56.400 -0.800 0.000 0.818 458 E CB -0.006 29.189 29.700 -0.843 0.000 0.749 458 E HN 0.321 nan 8.360 nan 0.000 0.453 459 R N 0.037 120.360 120.500 -0.295 0.000 2.070 459 R HA -0.089 3.242 4.340 -1.682 0.000 0.233 459 R C -0.620 175.636 176.300 -0.074 0.000 1.137 459 R CA 1.886 57.875 56.100 -0.186 0.000 0.945 459 R CB -0.993 29.208 30.300 -0.166 0.000 0.845 459 R HN 0.292 nan 8.270 nan 0.000 0.430 460 P HA -0.166 nan 4.420 nan 0.000 0.215 460 P C 1.113 178.413 177.300 0.001 0.000 1.153 460 P CA 1.409 64.508 63.100 -0.002 0.000 0.853 460 P CB -0.232 31.484 31.700 0.027 0.000 0.788 461 F N -0.318 119.626 119.950 -0.009 0.000 2.102 461 F HA -0.092 3.426 4.527 -1.682 0.000 0.298 461 F C 2.632 178.474 175.800 0.069 0.000 1.105 461 F CA 1.223 59.274 58.000 0.085 0.000 1.239 461 F CB -1.308 37.850 39.000 0.263 0.000 0.991 461 F HN -0.250 nan 8.300 nan 0.000 0.474 462 L N -0.508 120.812 121.223 0.161 0.000 2.083 462 L HA -0.226 3.105 4.340 -1.682 0.000 0.209 462 L C 2.064 178.956 176.870 0.037 0.000 1.083 462 L CA 1.135 56.028 54.840 0.088 0.000 0.752 462 L CB -0.657 41.380 42.059 -0.036 0.000 0.899 462 L HN 0.073 nan 8.230 nan 0.000 0.433 463 D N -0.155 120.244 120.400 -0.001 0.000 2.097 463 D HA -0.238 3.393 4.640 -1.682 0.000 0.195 463 D C 2.021 178.309 176.300 -0.020 0.000 0.989 463 D CA 1.307 55.295 54.000 -0.020 0.000 0.827 463 D CB -0.019 40.760 40.800 -0.035 0.000 0.966 463 D HN 0.364 nan 8.370 nan 0.000 0.456 464 E N 0.211 120.390 120.200 -0.035 0.000 2.072 464 E HA -0.118 3.223 4.350 -1.682 0.000 0.191 464 E C 2.359 178.948 176.600 -0.019 0.000 0.985 464 E CA 0.353 56.723 56.400 -0.051 0.000 0.801 464 E CB -0.088 29.543 29.700 -0.115 0.000 0.750 464 E HN 0.176 nan 8.360 nan 0.000 0.452 465 L N 0.518 121.756 121.223 0.025 0.000 2.013 465 L HA -0.247 3.084 4.340 -1.682 0.000 0.212 465 L C 2.840 179.718 176.870 0.014 0.000 1.073 465 L CA 1.620 56.486 54.840 0.043 0.000 0.753 465 L CB -0.447 41.676 42.059 0.108 0.000 0.890 465 L HN 0.110 nan 8.230 nan 0.000 0.432 466 R N 0.494 121.001 120.500 0.011 0.000 2.081 466 R HA -0.137 3.194 4.340 -1.682 0.000 0.235 466 R C 2.335 178.621 176.300 -0.024 0.000 1.131 466 R CA 1.512 57.608 56.100 -0.006 0.000 0.960 466 R CB -0.286 30.011 30.300 -0.006 0.000 0.856 466 R HN 0.208 nan 8.270 nan 0.000 0.436 467 R N -0.162 120.323 120.500 -0.025 0.000 2.127 467 R HA -0.045 3.287 4.340 -1.682 0.000 0.238 467 R C 1.249 177.525 176.300 -0.040 0.000 1.134 467 R CA 1.469 57.552 56.100 -0.029 0.000 0.975 467 R CB -0.331 29.953 30.300 -0.027 0.000 0.865 467 R HN 0.264 nan 8.270 nan 0.000 0.447 468 N N 0.845 119.516 118.700 -0.048 0.000 2.461 468 N HA -0.044 3.687 4.740 -1.682 0.000 0.188 468 N C -0.527 174.926 175.510 -0.095 0.000 1.134 468 N CA 0.371 53.376 53.050 -0.074 0.000 0.878 468 N CB 0.216 38.656 38.487 -0.078 0.000 0.972 468 N HN 0.193 nan 8.380 nan 0.000 0.456 469 E N -0.628 119.514 120.200 -0.097 0.000 2.476 469 E HA -0.274 3.067 4.350 -1.682 0.000 0.251 469 E C -0.139 176.408 176.600 -0.087 0.000 1.130 469 E CA 0.288 56.597 56.400 -0.153 0.000 0.736 469 E CB -1.661 27.828 29.700 -0.353 0.000 1.298 469 E HN 0.508 nan 8.360 nan 0.000 0.400 470 Q N -0.402 119.389 119.800 -0.015 0.000 2.194 470 Q HA -0.014 3.317 4.340 -1.682 0.000 0.214 470 Q C 1.330 177.362 176.000 0.052 0.000 0.838 470 Q CA 0.274 56.100 55.803 0.038 0.000 0.972 470 Q CB 0.500 29.255 28.738 0.028 0.000 1.131 470 Q HN 0.398 nan 8.270 nan 0.000 0.498 471 D N 0.948 121.373 120.400 0.041 0.000 2.117 471 D HA -0.209 3.422 4.640 -1.682 0.000 0.197 471 D C 1.532 177.866 176.300 0.057 0.000 0.987 471 D CA 0.992 55.025 54.000 0.054 0.000 0.829 471 D CB -0.095 40.728 40.800 0.038 0.000 0.961 471 D HN 0.161 nan 8.370 nan 0.000 0.460 472 R N -0.282 120.250 120.500 0.053 0.000 2.115 472 R HA 0.019 3.350 4.340 -1.682 0.000 0.226 472 R C 2.476 178.808 176.300 0.054 0.000 1.100 472 R CA 0.334 56.465 56.100 0.052 0.000 0.980 472 R CB -0.387 29.947 30.300 0.056 0.000 0.875 472 R HN 0.155 nan 8.270 nan 0.000 0.445 473 L N 1.180 122.444 121.223 0.068 0.000 2.079 473 L HA -0.164 3.167 4.340 -1.682 0.000 0.210 473 L C 2.003 178.902 176.870 0.048 0.000 1.081 473 L CA 1.515 56.390 54.840 0.058 0.000 0.752 473 L CB -0.452 41.648 42.059 0.069 0.000 0.896 473 L HN 0.121 nan 8.230 nan 0.000 0.433 474 L N -1.553 119.703 121.223 0.055 0.000 2.007 474 L HA -0.085 3.246 4.340 -1.682 0.000 0.205 474 L C 2.248 179.138 176.870 0.033 0.000 1.073 474 L CA 1.830 56.698 54.840 0.048 0.000 0.744 474 L CB -0.593 41.511 42.059 0.075 0.000 0.898 474 L HN 0.057 nan 8.230 nan 0.000 0.435 475 V N -0.488 119.453 119.914 0.044 0.000 2.591 475 V HA -0.121 2.990 4.120 -1.682 0.000 0.249 475 V C 2.087 178.192 176.094 0.018 0.000 1.053 475 V CA 1.715 64.036 62.300 0.035 0.000 1.068 475 V CB -0.546 31.304 31.823 0.045 0.000 0.689 475 V HN 0.507 nan 8.190 nan 0.000 0.462 476 E N -1.066 119.145 120.200 0.020 0.000 2.460 476 E HA 0.138 3.479 4.350 -1.682 0.000 0.200 476 E C 1.526 178.130 176.600 0.006 0.000 1.011 476 E CA 0.150 56.557 56.400 0.011 0.000 0.912 476 E CB 0.724 30.432 29.700 0.015 0.000 0.953 476 E HN 0.429 nan 8.360 nan 0.000 0.494 477 L N 0.293 121.523 121.223 0.010 0.000 2.919 477 L HA 0.123 3.454 4.340 -1.682 0.000 0.169 477 L C 1.815 178.687 176.870 0.003 0.000 1.228 477 L CA 0.567 55.410 54.840 0.007 0.000 0.862 477 L CB 0.276 42.343 42.059 0.013 0.000 1.313 477 L HN -0.223 nan 8.230 nan 0.000 0.526 478 E N 0.088 120.296 120.200 0.013 0.000 2.077 478 E HA -0.231 3.110 4.350 -1.682 0.000 0.193 478 E C 2.013 178.599 176.600 -0.024 0.000 0.989 478 E CA 1.477 57.881 56.400 0.007 0.000 0.800 478 E CB -0.206 29.513 29.700 0.032 0.000 0.746 478 E HN 0.611 nan 8.360 nan 0.000 0.452 479 Q N -0.155 119.627 119.800 -0.030 0.000 2.046 479 Q HA -0.088 3.243 4.340 -1.682 0.000 0.200 479 Q C -0.569 175.404 176.000 -0.045 0.000 0.975 479 Q CA 1.345 57.117 55.803 -0.051 0.000 0.836 479 Q CB -0.835 27.873 28.738 -0.050 0.000 0.896 479 Q HN 0.229 nan 8.270 nan 0.000 0.428 480 P HA -0.160 nan 4.420 nan 0.000 0.218 480 P C 1.239 178.518 177.300 -0.035 0.000 1.149 480 P CA 0.864 63.944 63.100 -0.033 0.000 0.817 480 P CB 0.010 31.695 31.700 -0.024 0.000 0.785 481 L N -0.497 120.707 121.223 -0.032 0.000 2.083 481 L HA -0.108 3.223 4.340 -1.682 0.000 0.209 481 L C 2.437 179.283 176.870 -0.039 0.000 1.083 481 L CA 1.880 56.699 54.840 -0.036 0.000 0.752 481 L CB -1.516 40.525 42.059 -0.031 0.000 0.899 481 L HN -0.089 nan 8.230 nan 0.000 0.433 482 S N -1.314 114.360 115.700 -0.043 0.000 2.374 482 S HA -0.232 3.229 4.470 -1.682 0.000 0.227 482 S C 2.134 176.712 174.600 -0.037 0.000 1.037 482 S CA 1.839 60.011 58.200 -0.046 0.000 1.024 482 S CB -0.419 62.736 63.200 -0.075 0.000 0.861 482 S HN 0.662 nan 8.310 nan 0.000 0.456 483 S N 1.066 116.738 115.700 -0.047 0.000 2.382 483 S HA 0.029 3.490 4.470 -1.682 0.000 0.228 483 S C 1.744 176.329 174.600 -0.024 0.000 1.027 483 S CA 1.404 59.576 58.200 -0.046 0.000 0.991 483 S CB -0.411 62.756 63.200 -0.055 0.000 0.823 483 S HN 0.546 nan 8.310 nan 0.000 0.469 484 I N 1.235 121.792 120.570 -0.022 0.000 2.252 484 I HA -0.155 3.006 4.170 -1.682 0.000 0.245 484 I C 1.985 178.108 176.117 0.009 0.000 1.102 484 I CA 1.029 62.320 61.300 -0.014 0.000 1.385 484 I CB -0.361 37.621 38.000 -0.031 0.000 1.064 484 I HN 0.237 nan 8.210 nan 0.000 0.414 485 L N 0.547 121.775 121.223 0.007 0.000 2.083 485 L HA -0.187 3.144 4.340 -1.682 0.000 0.209 485 L C 2.882 179.858 176.870 0.176 0.000 1.083 485 L CA 1.227 56.109 54.840 0.070 0.000 0.752 485 L CB -0.770 41.332 42.059 0.071 0.000 0.899 485 L HN 0.234 nan 8.230 nan 0.000 0.433 486 A N 0.075 122.962 122.820 0.111 0.000 1.908 486 A HA -0.240 3.071 4.320 -1.682 0.000 0.218 486 A C 2.177 179.861 177.584 0.167 0.000 1.181 486 A CA 1.811 53.922 52.037 0.124 0.000 0.627 486 A CB -0.435 18.570 19.000 0.008 0.000 0.818 486 A HN 0.457 nan 8.150 nan 0.000 0.445 487 E N -0.804 119.460 120.200 0.106 0.000 2.077 487 E HA -0.173 3.168 4.350 -1.682 0.000 0.193 487 E C 2.111 178.808 176.600 0.161 0.000 0.989 487 E CA 1.482 57.951 56.400 0.114 0.000 0.800 487 E CB -0.254 29.471 29.700 0.041 0.000 0.746 487 E HN 0.682 nan 8.360 nan 0.000 0.452 488 M N 0.430 120.130 119.600 0.167 0.000 2.086 488 M HA -0.178 3.293 4.480 -1.682 0.000 0.261 488 M C 2.051 178.527 176.300 0.293 0.000 1.067 488 M CA 1.539 56.959 55.300 0.201 0.000 1.116 488 M CB -0.157 32.569 32.600 0.209 0.000 1.348 488 M HN 0.036 nan 8.290 nan 0.000 0.407 489 E N -0.184 120.261 120.200 0.409 0.000 2.077 489 E HA -0.198 3.143 4.350 -1.682 0.000 0.193 489 E C 1.801 178.762 176.600 0.600 0.000 0.989 489 E CA 1.241 57.949 56.400 0.514 0.000 0.800 489 E CB -0.239 29.844 29.700 0.639 0.000 0.746 489 E HN 0.394 nan 8.360 nan 0.000 0.452 490 F N 1.450 121.607 119.950 0.345 0.000 2.186 490 F HA -0.081 3.437 4.527 -1.682 0.000 0.299 490 F C 2.148 177.996 175.800 0.080 0.000 1.090 490 F CA 1.175 59.261 58.000 0.143 0.000 1.307 490 F CB -0.306 38.644 39.000 -0.083 0.000 1.019 490 F HN -0.064 nan 8.300 nan 0.000 0.489 491 A N 0.378 123.196 122.820 -0.003 0.000 1.902 491 A HA 0.256 3.567 4.320 -1.682 0.000 0.217 491 A C 1.760 179.246 177.584 -0.164 0.000 1.181 491 A CA 1.281 53.209 52.037 -0.182 0.000 0.623 491 A CB -1.570 17.326 19.000 -0.173 0.000 0.818 491 A HN 0.944 nan 8.150 nan 0.000 0.443 492 G N -2.379 106.357 108.800 -0.106 0.000 2.806 492 G HA2 -0.017 2.934 3.960 -1.682 0.000 0.236 492 G HA3 -0.017 2.934 3.960 -1.682 0.000 0.236 492 G C -0.408 174.370 174.900 -0.204 0.000 1.387 492 G CA -0.241 44.631 45.100 -0.381 0.000 0.884 492 G HN 1.199 nan 8.290 nan 0.000 0.560 493 V N 0.347 120.140 119.914 -0.202 0.000 2.588 493 V HA 0.584 3.695 4.120 -1.682 0.000 0.304 493 V C 0.404 176.441 176.094 -0.096 0.000 1.042 493 V CA -0.518 61.748 62.300 -0.058 0.000 0.877 493 V CB 1.707 33.583 31.823 0.089 0.000 0.996 493 V HN 1.037 nan 8.190 nan 0.000 0.425 494 K N 3.772 124.128 120.400 -0.073 0.000 2.326 494 K HA 0.519 3.830 4.320 -1.682 0.000 0.275 494 K C -0.547 175.978 176.600 -0.125 0.000 1.018 494 K CA -0.174 56.053 56.287 -0.100 0.000 0.962 494 K CB 1.210 33.661 32.500 -0.081 0.000 0.953 494 K HN 0.691 nan 8.250 nan 0.000 0.475 495 V N 0.565 120.369 119.914 -0.183 0.000 2.680 495 V HA 0.416 3.527 4.120 -1.682 0.000 0.309 495 V C -0.717 175.277 176.094 -0.165 0.000 1.052 495 V CA -0.994 61.143 62.300 -0.272 0.000 0.908 495 V CB 1.803 33.384 31.823 -0.402 0.000 1.001 495 V HN 0.827 nan 8.190 nan 0.000 0.431 496 D N 3.614 123.927 120.400 -0.144 0.000 2.470 496 D HA 0.163 3.794 4.640 -1.682 0.000 0.226 496 D C 1.556 177.801 176.300 -0.091 0.000 1.196 496 D CA 0.664 54.612 54.000 -0.087 0.000 0.979 496 D CB 1.147 41.914 40.800 -0.054 0.000 1.059 496 D HN 0.949 nan 8.370 nan 0.000 0.515 497 T N 1.105 115.608 114.554 -0.084 0.000 2.746 497 T HA -0.168 3.173 4.350 -1.682 0.000 0.267 497 T C 1.687 176.356 174.700 -0.052 0.000 1.039 497 T CA 0.627 62.683 62.100 -0.073 0.000 1.142 497 T CB 0.049 68.880 68.868 -0.062 0.000 0.866 497 T HN 0.130 nan 8.240 nan 0.000 0.444 498 K N 1.065 121.439 120.400 -0.044 0.000 2.063 498 K HA -0.013 3.299 4.320 -1.682 0.000 0.208 498 K C 2.501 179.081 176.600 -0.034 0.000 1.048 498 K CA 1.358 57.625 56.287 -0.034 0.000 0.928 498 K CB -0.478 32.005 32.500 -0.029 0.000 0.713 498 K HN 0.299 nan 8.250 nan 0.000 0.442 499 R N 1.505 121.982 120.500 -0.039 0.000 2.073 499 R HA 0.002 3.333 4.340 -1.682 0.000 0.234 499 R C 2.335 178.614 176.300 -0.035 0.000 1.134 499 R CA 1.190 57.267 56.100 -0.037 0.000 0.952 499 R CB -0.812 29.464 30.300 -0.040 0.000 0.850 499 R HN 0.160 nan 8.270 nan 0.000 0.433 500 L N 0.175 121.373 121.223 -0.041 0.000 2.012 500 L HA -0.185 3.146 4.340 -1.682 0.000 0.210 500 L C 2.338 179.194 176.870 -0.023 0.000 1.073 500 L CA 1.966 56.788 54.840 -0.031 0.000 0.748 500 L CB -0.553 41.479 42.059 -0.045 0.000 0.891 500 L HN 0.321 nan 8.230 nan 0.000 0.431 501 E N -0.417 119.767 120.200 -0.027 0.000 2.085 501 E HA -0.308 3.033 4.350 -1.682 0.000 0.194 501 E C 2.122 178.711 176.600 -0.019 0.000 0.994 501 E CA 1.351 57.737 56.400 -0.022 0.000 0.801 501 E CB -0.101 29.585 29.700 -0.023 0.000 0.743 501 E HN 0.324 nan 8.360 nan 0.000 0.453 502 Q N 0.846 120.633 119.800 -0.021 0.000 2.061 502 Q HA -0.156 3.175 4.340 -1.682 0.000 0.204 502 Q C 2.008 177.996 176.000 -0.019 0.000 0.984 502 Q CA 1.773 57.564 55.803 -0.020 0.000 0.846 502 Q CB -0.163 28.562 28.738 -0.023 0.000 0.902 502 Q HN 0.284 nan 8.270 nan 0.000 0.421 503 M N -0.977 118.611 119.600 -0.020 0.000 2.108 503 M HA -0.099 3.372 4.480 -1.682 0.000 0.261 503 M C 2.087 178.379 176.300 -0.015 0.000 1.066 503 M CA 1.624 56.914 55.300 -0.017 0.000 1.107 503 M CB -0.686 31.905 32.600 -0.014 0.000 1.356 503 M HN 0.432 nan 8.290 nan 0.000 0.406 504 G N 0.603 109.396 108.800 -0.013 0.000 2.422 504 G HA2 -0.256 2.695 3.960 -1.682 0.000 0.218 504 G HA3 -0.256 2.695 3.960 -1.682 0.000 0.218 504 G C 1.534 176.424 174.900 -0.017 0.000 1.146 504 G CA 1.216 46.307 45.100 -0.014 0.000 0.769 504 G HN 0.463 nan 8.290 nan 0.000 0.547 505 K N 0.634 121.025 120.400 -0.015 0.000 2.026 505 K HA -0.096 3.215 4.320 -1.682 0.000 0.208 505 K C 2.318 178.910 176.600 -0.014 0.000 1.048 505 K CA 1.623 57.902 56.287 -0.013 0.000 0.929 505 K CB -0.225 32.268 32.500 -0.012 0.000 0.713 505 K HN 0.396 nan 8.250 nan 0.000 0.439 506 E N 0.604 120.795 120.200 -0.014 0.000 2.150 506 E HA -0.149 3.192 4.350 -1.682 0.000 0.193 506 E C 2.089 178.678 176.600 -0.019 0.000 0.985 506 E CA 0.997 57.389 56.400 -0.013 0.000 0.814 506 E CB -0.023 29.670 29.700 -0.011 0.000 0.752 506 E HN 0.320 nan 8.360 nan 0.000 0.466 507 L N 0.502 121.709 121.223 -0.027 0.000 2.072 507 L HA -0.111 3.220 4.340 -1.682 0.000 0.205 507 L C 2.567 179.408 176.870 -0.048 0.000 1.079 507 L CA 0.869 55.682 54.840 -0.046 0.000 0.752 507 L CB -0.377 41.652 42.059 -0.049 0.000 0.906 507 L HN 0.140 nan 8.230 nan 0.000 0.436 508 A N -0.448 122.352 122.820 -0.033 0.000 1.933 508 A HA -0.249 3.062 4.320 -1.682 0.000 0.218 508 A C 2.268 179.843 177.584 -0.015 0.000 1.175 508 A CA 1.807 53.830 52.037 -0.024 0.000 0.628 508 A CB -0.435 18.555 19.000 -0.016 0.000 0.814 508 A HN 0.464 nan 8.150 nan 0.000 0.444 509 E N -0.328 119.866 120.200 -0.012 0.000 2.015 509 E HA -0.227 3.114 4.350 -1.682 0.000 0.191 509 E C 2.211 178.811 176.600 -0.001 0.000 0.991 509 E CA 1.276 57.674 56.400 -0.003 0.000 0.802 509 E CB -0.193 29.508 29.700 0.000 0.000 0.759 509 E HN 0.751 nan 8.360 nan 0.000 0.447 510 Q N 0.149 119.945 119.800 -0.007 0.000 2.135 510 Q HA -0.201 3.130 4.340 -1.682 0.000 0.204 510 Q C 2.303 178.289 176.000 -0.023 0.000 0.981 510 Q CA 1.063 56.864 55.803 -0.005 0.000 0.856 510 Q CB -0.113 28.614 28.738 -0.017 0.000 0.902 510 Q HN 0.229 nan 8.270 nan 0.000 0.425 511 L N 0.335 121.533 121.223 -0.042 0.000 2.017 511 L HA -0.099 3.232 4.340 -1.682 0.000 0.208 511 L C 2.233 179.126 176.870 0.038 0.000 1.073 511 L CA 2.161 56.992 54.840 -0.015 0.000 0.745 511 L CB -1.101 40.929 42.059 -0.048 0.000 0.894 511 L HN 0.232 nan 8.230 nan 0.000 0.432 512 G N -2.390 106.420 108.800 0.016 0.000 2.442 512 G HA2 -0.260 2.691 3.960 -1.682 0.000 0.219 512 G HA3 -0.260 2.691 3.960 -1.682 0.000 0.219 512 G C 1.488 176.389 174.900 0.000 0.000 1.141 512 G CA 1.276 46.384 45.100 0.013 0.000 0.763 512 G HN 0.411 nan 8.290 nan 0.000 0.554 513 T N 0.803 115.363 114.554 0.010 0.000 2.701 513 T HA -0.099 3.242 4.350 -1.682 0.000 0.263 513 T C 2.599 177.302 174.700 0.004 0.000 1.040 513 T CA 1.382 63.490 62.100 0.014 0.000 1.147 513 T CB -0.292 68.596 68.868 0.034 0.000 0.865 513 T HN 0.079 nan 8.240 nan 0.000 0.426 514 V N 1.502 121.432 119.914 0.028 0.000 2.515 514 V HA -0.125 2.986 4.120 -1.682 0.000 0.250 514 V C 2.449 178.478 176.094 -0.109 0.000 1.058 514 V CA 1.588 63.908 62.300 0.034 0.000 1.064 514 V CB -0.643 31.256 31.823 0.126 0.000 0.675 514 V HN 0.536 nan 8.190 nan 0.000 0.461 515 E N -0.057 120.038 120.200 -0.174 0.000 2.051 515 E HA -0.253 3.088 4.350 -1.682 0.000 0.192 515 E C 2.347 178.548 176.600 -0.664 0.000 0.991 515 E CA 1.286 57.374 56.400 -0.520 0.000 0.799 515 E CB 0.004 29.480 29.700 -0.373 0.000 0.748 515 E HN 0.539 nan 8.360 nan 0.000 0.449 516 Q N 0.304 119.939 119.800 -0.274 0.000 2.046 516 Q HA -0.170 3.161 4.340 -1.682 0.000 0.200 516 Q C 2.245 178.201 176.000 -0.073 0.000 0.975 516 Q CA 1.211 56.952 55.803 -0.103 0.000 0.836 516 Q CB -0.486 28.255 28.738 0.004 0.000 0.896 516 Q HN 0.088 nan 8.270 nan 0.000 0.428 517 R N 1.067 121.525 120.500 -0.070 0.000 2.105 517 R HA -0.066 3.265 4.340 -1.682 0.000 0.239 517 R C 2.118 178.404 176.300 -0.023 0.000 1.135 517 R CA 1.209 57.296 56.100 -0.021 0.000 0.967 517 R CB -0.688 29.610 30.300 -0.003 0.000 0.861 517 R HN 0.296 nan 8.270 nan 0.000 0.442 518 I N -0.549 119.945 120.570 -0.126 0.000 2.202 518 I HA -0.282 2.879 4.170 -1.682 0.000 0.242 518 I C 1.606 177.767 176.117 0.074 0.000 1.091 518 I CA 1.150 62.395 61.300 -0.091 0.000 1.368 518 I CB -0.352 37.477 38.000 -0.286 0.000 1.058 518 I HN 0.145 nan 8.210 nan 0.000 0.410 519 Y N 0.770 121.092 120.300 0.036 0.000 2.274 519 Y HA -0.232 3.309 4.550 -1.681 0.000 0.290 519 Y C 2.550 178.492 175.900 0.070 0.000 1.145 519 Y CA 1.054 59.201 58.100 0.077 0.000 1.203 519 Y CB -0.938 37.531 38.460 0.015 0.000 0.984 519 Y HN 0.294 nan 8.280 nan 0.000 0.533 520 E N 0.275 120.590 120.200 0.192 0.000 2.072 520 E HA -0.167 3.174 4.350 -1.682 0.000 0.191 520 E C 1.957 178.624 176.600 0.111 0.000 0.985 520 E CA 1.042 57.516 56.400 0.124 0.000 0.801 520 E CB -0.279 29.470 29.700 0.082 0.000 0.750 520 E HN 0.431 nan 8.360 nan 0.000 0.452 521 L N 0.131 121.425 121.223 0.118 0.000 2.217 521 L HA -0.028 3.303 4.340 -1.682 0.000 0.211 521 L C 2.393 179.329 176.870 0.110 0.000 1.107 521 L CA 0.782 55.705 54.840 0.137 0.000 0.783 521 L CB -0.145 42.018 42.059 0.173 0.000 0.919 521 L HN 0.191 nan 8.230 nan 0.000 0.442 522 A N -0.562 122.324 122.820 0.110 0.000 2.169 522 A HA 0.222 3.533 4.320 -1.682 0.000 0.212 522 A C 1.836 179.433 177.584 0.023 0.000 1.153 522 A CA 0.752 52.809 52.037 0.033 0.000 0.756 522 A CB -0.438 18.621 19.000 0.099 0.000 0.813 522 A HN 0.479 nan 8.150 nan 0.000 0.471 523 G N -0.936 107.904 108.800 0.067 0.000 2.155 523 G HA2 -0.273 2.678 3.960 -1.682 0.000 0.257 523 G HA3 -0.273 2.678 3.960 -1.682 0.000 0.257 523 G C 0.002 174.926 174.900 0.041 0.000 0.983 523 G CA 1.028 46.155 45.100 0.045 0.000 0.676 523 G HN 1.593 nan 8.290 nan 0.000 0.528 524 Q N -1.985 117.863 119.800 0.080 0.000 2.829 524 Q HA 0.566 3.897 4.340 -1.682 0.000 0.296 524 Q C -1.407 174.639 176.000 0.078 0.000 0.893 524 Q CA -1.028 54.803 55.803 0.047 0.000 0.772 524 Q CB 0.663 29.409 28.738 0.012 0.000 1.489 524 Q HN 0.264 nan 8.270 nan 0.000 0.420 525 E N 0.741 120.861 120.200 -0.132 0.000 2.231 525 E HA 0.640 3.981 4.350 -1.682 0.000 0.277 525 E C -0.985 175.567 176.600 -0.081 0.000 0.999 525 E CA -0.442 55.629 56.400 -0.550 0.000 0.827 525 E CB 1.051 30.300 29.700 -0.751 0.000 1.101 525 E HN 0.433 nan 8.360 nan 0.000 0.393 526 F N -0.514 119.264 119.950 -0.287 0.000 2.741 526 F HA 0.368 3.886 4.527 -1.682 0.000 0.313 526 F C -0.956 174.867 175.800 0.038 0.000 1.153 526 F CA -1.557 56.401 58.000 -0.070 0.000 0.931 526 F CB 0.647 39.640 39.000 -0.011 0.000 1.335 526 F HN 0.130 nan 8.300 nan 0.000 0.460 527 N N 1.914 120.626 118.700 0.020 0.000 2.402 527 N HA 0.245 3.976 4.740 -1.682 0.000 0.259 527 N C 0.794 176.226 175.510 -0.129 0.000 1.167 527 N CA -0.077 52.936 53.050 -0.061 0.000 0.949 527 N CB 0.208 38.722 38.487 0.044 0.000 1.212 527 N HN 0.772 nan 8.380 nan 0.000 0.493 528 I N 1.864 122.175 120.570 -0.431 0.000 2.454 528 I HA -0.225 2.936 4.170 -1.682 0.000 0.254 528 I C 1.048 177.177 176.117 0.019 0.000 1.156 528 I CA 0.683 61.755 61.300 -0.379 0.000 1.433 528 I CB -0.114 37.404 38.000 -0.805 0.000 1.082 528 I HN 0.406 nan 8.210 nan 0.000 0.432 529 N N 0.501 119.247 118.700 0.077 0.000 2.449 529 N HA -0.020 3.711 4.740 -1.682 0.000 0.191 529 N C 0.445 176.025 175.510 0.118 0.000 1.161 529 N CA 0.326 53.462 53.050 0.143 0.000 0.863 529 N CB 0.134 38.703 38.487 0.137 0.000 0.980 529 N HN 0.082 nan 8.380 nan 0.000 0.458 530 S N 0.988 116.765 115.700 0.127 0.000 2.474 530 S HA 0.358 3.819 4.470 -1.682 0.000 0.320 530 S C -1.747 172.950 174.600 0.162 0.000 1.067 530 S CA -1.724 56.556 58.200 0.133 0.000 1.127 530 S CB 1.175 64.454 63.200 0.132 0.000 0.971 530 S HN -0.121 nan 8.310 nan 0.000 0.472 531 P HA -0.167 nan 4.420 nan 0.000 0.217 531 P C 1.318 178.725 177.300 0.180 0.000 1.151 531 P CA 1.058 64.256 63.100 0.163 0.000 0.849 531 P CB 0.188 31.973 31.700 0.143 0.000 0.787 532 K N -0.062 120.431 120.400 0.156 0.000 2.002 532 K HA -0.196 3.115 4.320 -1.682 0.000 0.209 532 K C 2.206 178.901 176.600 0.158 0.000 1.048 532 K CA 1.524 57.906 56.287 0.158 0.000 0.930 532 K CB -0.342 32.227 32.500 0.114 0.000 0.714 532 K HN 0.078 nan 8.250 nan 0.000 0.438 533 Q N 0.334 120.226 119.800 0.153 0.000 2.124 533 Q HA -0.173 3.158 4.340 -1.682 0.000 0.202 533 Q C 2.139 178.193 176.000 0.090 0.000 0.977 533 Q CA 1.223 57.116 55.803 0.149 0.000 0.850 533 Q CB -0.075 28.810 28.738 0.246 0.000 0.901 533 Q HN 0.258 nan 8.270 nan 0.000 0.429 534 L N 0.162 121.489 121.223 0.172 0.000 2.017 534 L HA -0.048 3.283 4.340 -1.682 0.000 0.208 534 L C 2.092 178.906 176.870 -0.092 0.000 1.073 534 L CA 2.248 57.141 54.840 0.089 0.000 0.745 534 L CB -1.011 41.165 42.059 0.195 0.000 0.894 534 L HN 0.154 nan 8.230 nan 0.000 0.432 535 G N -1.023 107.821 108.800 0.073 0.000 2.442 535 G HA2 -0.215 2.736 3.960 -1.682 0.000 0.219 535 G HA3 -0.215 2.736 3.960 -1.682 0.000 0.219 535 G C 1.533 176.422 174.900 -0.019 0.000 1.141 535 G CA 1.129 46.334 45.100 0.175 0.000 0.763 535 G HN 0.347 nan 8.290 nan 0.000 0.554 536 V N 1.471 121.399 119.914 0.023 0.000 2.295 536 V HA -0.149 2.962 4.120 -1.682 0.000 0.246 536 V C 2.804 178.762 176.094 -0.225 0.000 1.049 536 V CA 1.209 63.486 62.300 -0.039 0.000 1.024 536 V CB -0.331 31.490 31.823 -0.004 0.000 0.648 536 V HN 0.284 nan 8.190 nan 0.000 0.447 537 I N -0.337 120.013 120.570 -0.368 0.000 2.179 537 I HA -0.222 2.939 4.170 -1.682 0.000 0.242 537 I C 2.348 178.172 176.117 -0.488 0.000 1.088 537 I CA 1.885 62.887 61.300 -0.497 0.000 1.357 537 I CB -0.938 36.556 38.000 -0.844 0.000 1.051 537 I HN 0.287 nan 8.210 nan 0.000 0.409 538 L N -0.862 119.986 121.223 -0.626 0.000 2.044 538 L HA -0.154 3.177 4.340 -1.682 0.000 0.205 538 L C 2.278 178.639 176.870 -0.849 0.000 1.075 538 L CA 1.392 55.711 54.840 -0.868 0.000 0.747 538 L CB -0.506 40.741 42.059 -1.353 0.000 0.903 538 L HN 0.109 nan 8.230 nan 0.000 0.435 539 F N -0.981 118.729 119.950 -0.400 0.000 2.717 539 F HA 0.110 3.628 4.527 -1.682 0.000 0.295 539 F C 2.190 177.785 175.800 -0.342 0.000 1.117 539 F CA 0.030 57.736 58.000 -0.490 0.000 1.361 539 F CB -0.020 38.376 39.000 -1.007 0.000 1.112 539 F HN -0.028 nan 8.300 nan 0.000 0.594 540 E N 0.101 120.214 120.200 -0.145 0.000 2.207 540 E HA 0.004 3.345 4.350 -1.682 0.000 0.197 540 E C 1.832 178.377 176.600 -0.090 0.000 0.914 540 E CA 0.144 56.505 56.400 -0.065 0.000 0.914 540 E CB 0.162 29.858 29.700 -0.008 0.000 0.893 540 E HN 0.135 nan 8.360 nan 0.000 0.479 541 K N 1.149 121.462 120.400 -0.144 0.000 1.991 541 K HA -0.011 3.300 4.320 -1.682 0.000 0.207 541 K C 1.897 178.413 176.600 -0.141 0.000 1.045 541 K CA 0.945 57.149 56.287 -0.138 0.000 0.937 541 K CB 0.079 32.475 32.500 -0.175 0.000 0.720 541 K HN 0.017 nan 8.250 nan 0.000 0.438 542 L N 0.861 121.959 121.223 -0.209 0.000 2.558 542 L HA 0.058 3.389 4.340 -1.682 0.000 0.225 542 L C 0.197 176.989 176.870 -0.131 0.000 1.128 542 L CA 0.254 54.974 54.840 -0.201 0.000 0.868 542 L CB -0.067 41.772 42.059 -0.367 0.000 1.006 542 L HN 0.340 nan 8.230 nan 0.000 0.454 543 Q N 0.364 120.092 119.800 -0.120 0.000 2.475 543 Q HA -0.196 3.135 4.340 -1.682 0.000 0.280 543 Q C -0.241 175.731 176.000 -0.046 0.000 1.234 543 Q CA 0.340 56.108 55.803 -0.059 0.000 0.873 543 Q CB -1.992 26.729 28.738 -0.028 0.000 1.256 543 Q HN 0.488 nan 8.270 nan 0.000 0.475 544 L N 1.407 122.583 121.223 -0.078 0.000 2.467 544 L HA 0.267 3.598 4.340 -1.682 0.000 0.270 544 L C -1.413 175.465 176.870 0.014 0.000 1.205 544 L CA -1.759 53.039 54.840 -0.071 0.000 0.828 544 L CB -0.265 41.718 42.059 -0.127 0.000 1.101 544 L HN -0.083 nan 8.230 nan 0.000 0.479 545 P HA 0.012 nan 4.420 nan 0.000 0.268 545 P C -0.592 176.654 177.300 -0.090 0.000 1.205 545 P CA -0.164 62.843 63.100 -0.155 0.000 0.771 545 P CB 0.619 32.127 31.700 -0.319 0.000 0.858 546 V N 5.129 124.944 119.914 -0.166 0.000 2.353 546 V HA 0.063 3.174 4.120 -1.682 0.000 0.264 546 V C 1.643 177.630 176.094 -0.178 0.000 1.049 546 V CA 0.217 62.314 62.300 -0.338 0.000 0.896 546 V CB -0.011 31.638 31.823 -0.289 0.000 1.025 546 V HN 0.465 nan 8.190 nan 0.000 0.475 547 L N 3.277 124.415 121.223 -0.142 0.000 2.354 547 L HA 0.324 3.656 4.340 -1.682 0.000 0.212 547 L C 0.964 177.815 176.870 -0.032 0.000 1.091 547 L CA 0.674 55.484 54.840 -0.050 0.000 0.828 547 L CB 0.045 42.105 42.059 0.002 0.000 0.973 547 L HN 0.482 nan 8.230 nan 0.000 0.461 548 K N -0.134 120.232 120.400 -0.056 0.000 2.532 548 K HA 0.465 3.776 4.320 -1.682 0.000 0.265 548 K C -1.407 175.174 176.600 -0.032 0.000 0.948 548 K CA -0.723 55.555 56.287 -0.015 0.000 0.842 548 K CB 2.458 34.972 32.500 0.024 0.000 1.392 548 K HN -0.350 nan 8.250 nan 0.000 0.436 549 K N 0.630 121.027 120.400 -0.005 0.000 2.267 549 K HA 0.460 3.771 4.320 -1.682 0.000 0.246 549 K C -0.709 175.899 176.600 0.013 0.000 0.954 549 K CA -0.474 55.802 56.287 -0.018 0.000 0.824 549 K CB 1.851 34.331 32.500 -0.034 0.000 1.167 549 K HN 0.738 nan 8.250 nan 0.000 0.431 550 T N -1.630 112.927 114.554 0.005 0.000 2.876 550 T HA 0.305 3.646 4.350 -1.682 0.000 0.277 550 T C 1.053 175.755 174.700 0.003 0.000 0.997 550 T CA -0.527 61.588 62.100 0.024 0.000 0.966 550 T CB 0.691 69.582 68.868 0.039 0.000 1.312 550 T HN 0.370 nan 8.240 nan 0.000 0.598 551 K N -0.157 120.251 120.400 0.014 0.000 2.026 551 K HA -0.095 3.216 4.320 -1.682 0.000 0.208 551 K C 1.985 178.573 176.600 -0.020 0.000 1.048 551 K CA 2.103 58.392 56.287 0.003 0.000 0.929 551 K CB -0.924 31.586 32.500 0.016 0.000 0.713 551 K HN 0.719 nan 8.250 nan 0.000 0.439 552 T N -0.619 113.923 114.554 -0.020 0.000 3.069 552 T HA 0.312 3.653 4.350 -1.682 0.000 0.252 552 T C 0.313 174.962 174.700 -0.085 0.000 1.053 552 T CA 0.540 62.617 62.100 -0.038 0.000 0.964 552 T CB 0.063 68.923 68.868 -0.013 0.000 1.005 552 T HN 0.512 nan 8.240 nan 0.000 0.532 553 G N -0.146 108.586 108.800 -0.114 0.000 2.441 553 G HA2 0.351 3.302 3.960 -1.682 0.000 0.225 553 G HA3 0.351 3.302 3.960 -1.682 0.000 0.225 553 G C -1.843 172.915 174.900 -0.238 0.000 1.200 553 G CA -0.894 44.052 45.100 -0.256 0.000 0.947 553 G HN 0.229 nan 8.290 nan 0.000 0.484 554 Y N 0.928 121.215 120.300 -0.022 0.000 2.319 554 Y HA 0.586 4.127 4.550 -1.682 0.000 0.328 554 Y C 1.181 177.081 175.900 0.001 0.000 1.133 554 Y CA 0.069 58.099 58.100 -0.117 0.000 1.265 554 Y CB 1.551 39.867 38.460 -0.239 0.000 1.218 554 Y HN 0.408 nan 8.280 nan 0.000 0.508 555 S N 1.154 116.926 115.700 0.119 0.000 2.565 555 S HA 0.186 3.647 4.470 -1.682 0.000 0.276 555 S C 0.648 175.396 174.600 0.248 0.000 1.326 555 S CA -0.089 58.199 58.200 0.146 0.000 1.045 555 S CB 0.172 63.427 63.200 0.092 0.000 0.918 555 S HN 0.847 nan 8.310 nan 0.000 0.505 556 T N 0.529 115.223 114.554 0.234 0.000 3.339 556 T HA 0.318 3.659 4.350 -1.682 0.000 0.292 556 T C 0.348 175.148 174.700 0.167 0.000 1.012 556 T CA -0.160 62.084 62.100 0.240 0.000 0.937 556 T CB -0.637 68.368 68.868 0.228 0.000 1.164 556 T HN 0.641 nan 8.240 nan 0.000 0.509 557 S N 0.627 116.412 115.700 0.142 0.000 2.584 557 S HA 0.594 4.055 4.470 -1.682 0.000 0.270 557 S C 1.920 176.585 174.600 0.108 0.000 1.346 557 S CA -0.231 58.037 58.200 0.112 0.000 1.018 557 S CB 0.877 64.134 63.200 0.095 0.000 0.899 557 S HN 0.556 nan 8.310 nan 0.000 0.542 558 A N 1.979 124.854 122.820 0.093 0.000 1.917 558 A HA -0.213 3.098 4.320 -1.682 0.000 0.219 558 A C 2.003 179.637 177.584 0.083 0.000 1.182 558 A CA 1.898 53.987 52.037 0.087 0.000 0.633 558 A CB -1.317 17.727 19.000 0.074 0.000 0.819 558 A HN 1.021 nan 8.150 nan 0.000 0.448 559 D N 0.006 120.451 120.400 0.075 0.000 2.123 559 D HA -0.148 3.483 4.640 -1.682 0.000 0.196 559 D C 1.899 178.247 176.300 0.081 0.000 0.992 559 D CA 1.816 55.856 54.000 0.068 0.000 0.833 559 D CB -0.822 40.012 40.800 0.056 0.000 0.954 559 D HN 0.284 nan 8.370 nan 0.000 0.455 560 V N 1.507 121.477 119.914 0.094 0.000 2.295 560 V HA -0.220 2.891 4.120 -1.682 0.000 0.246 560 V C 2.877 179.051 176.094 0.135 0.000 1.049 560 V CA 1.163 63.532 62.300 0.115 0.000 1.024 560 V CB -0.597 31.306 31.823 0.133 0.000 0.648 560 V HN 0.196 nan 8.190 nan 0.000 0.447 561 L N -0.344 120.958 121.223 0.131 0.000 2.083 561 L HA -0.222 3.109 4.340 -1.682 0.000 0.209 561 L C 2.544 179.483 176.870 0.116 0.000 1.083 561 L CA 1.700 56.614 54.840 0.125 0.000 0.752 561 L CB -0.710 41.416 42.059 0.111 0.000 0.899 561 L HN 0.391 nan 8.230 nan 0.000 0.433 562 E N 0.348 120.607 120.200 0.100 0.000 2.085 562 E HA -0.227 3.114 4.350 -1.682 0.000 0.194 562 E C 2.156 178.814 176.600 0.098 0.000 0.994 562 E CA 1.220 57.671 56.400 0.085 0.000 0.801 562 E CB 0.020 29.760 29.700 0.067 0.000 0.743 562 E HN 0.427 nan 8.360 nan 0.000 0.453 563 K N 0.203 120.672 120.400 0.116 0.000 2.217 563 K HA -0.040 3.271 4.320 -1.682 0.000 0.202 563 K C 1.884 178.627 176.600 0.240 0.000 1.051 563 K CA 0.669 57.044 56.287 0.146 0.000 0.952 563 K CB 0.097 32.678 32.500 0.135 0.000 0.736 563 K HN 0.146 nan 8.250 nan 0.000 0.453 564 L N 0.220 121.585 121.223 0.237 0.000 2.509 564 L HA 0.060 3.391 4.340 -1.682 0.000 0.222 564 L C 2.330 179.388 176.870 0.313 0.000 1.123 564 L CA -0.041 55.006 54.840 0.345 0.000 0.856 564 L CB -0.326 41.856 42.059 0.204 0.000 0.985 564 L HN 0.132 nan 8.230 nan 0.000 0.456 565 A N 1.524 124.452 122.820 0.179 0.000 1.903 565 A HA -0.183 3.128 4.320 -1.682 0.000 0.219 565 A C -0.122 177.510 177.584 0.079 0.000 1.191 565 A CA 1.909 54.014 52.037 0.114 0.000 0.638 565 A CB -1.829 17.212 19.000 0.068 0.000 0.823 565 A HN 0.276 nan 8.150 nan 0.000 0.451 566 P HA -0.128 nan 4.420 nan 0.000 0.221 566 P C 0.656 177.854 177.300 -0.170 0.000 1.145 566 P CA 1.034 64.051 63.100 -0.138 0.000 0.795 566 P CB -0.177 31.354 31.700 -0.282 0.000 0.775 567 Y N -2.863 117.469 120.300 0.053 0.000 2.337 567 Y HA 0.029 3.570 4.550 -1.682 0.000 0.293 567 Y C 1.558 177.526 175.900 0.114 0.000 1.123 567 Y CA 0.973 59.116 58.100 0.071 0.000 1.201 567 Y CB 0.084 38.590 38.460 0.078 0.000 1.011 567 Y HN 0.040 nan 8.280 nan 0.000 0.545 568 H N -1.048 118.093 119.070 0.119 0.000 3.068 568 H HA 0.088 3.635 4.556 -1.682 0.000 0.342 568 H C 0.131 175.478 175.328 0.033 0.000 1.284 568 H CA -0.443 55.641 56.048 0.059 0.000 1.181 568 H CB 1.703 31.492 29.762 0.044 0.000 1.898 568 H HN 0.143 nan 8.280 nan 0.000 0.540 569 E N 3.356 123.472 120.200 -0.140 0.000 2.150 569 E HA -0.082 3.259 4.350 -1.682 0.000 0.193 569 E C 1.748 178.445 176.600 0.162 0.000 0.985 569 E CA 0.674 57.069 56.400 -0.007 0.000 0.814 569 E CB 0.285 29.921 29.700 -0.107 0.000 0.752 569 E HN 0.609 nan 8.360 nan 0.000 0.466 570 I N 0.421 121.248 120.570 0.427 0.000 2.423 570 I HA -0.258 2.903 4.170 -1.682 0.000 0.254 570 I C 1.900 178.095 176.117 0.132 0.000 1.151 570 I CA 0.662 62.099 61.300 0.228 0.000 1.421 570 I CB 0.142 38.212 38.000 0.117 0.000 1.079 570 I HN 0.061 nan 8.210 nan 0.000 0.431 571 V N 1.930 121.927 119.914 0.140 0.000 2.307 571 V HA -0.282 2.829 4.120 -1.682 0.000 0.245 571 V C 2.477 178.628 176.094 0.095 0.000 1.045 571 V CA 2.241 64.599 62.300 0.097 0.000 1.024 571 V CB -0.957 30.931 31.823 0.109 0.000 0.651 571 V HN 0.607 nan 8.190 nan 0.000 0.449 572 E N 0.425 120.676 120.200 0.086 0.000 2.110 572 E HA -0.266 3.075 4.350 -1.682 0.000 0.193 572 E C 1.812 178.470 176.600 0.097 0.000 0.988 572 E CA 1.683 58.125 56.400 0.070 0.000 0.804 572 E CB -0.545 29.174 29.700 0.030 0.000 0.745 572 E HN 0.625 nan 8.360 nan 0.000 0.458 573 N N 1.028 119.788 118.700 0.099 0.000 2.120 573 N HA -0.093 3.638 4.740 -1.682 0.000 0.188 573 N C 2.131 177.735 175.510 0.157 0.000 1.024 573 N CA 1.269 54.396 53.050 0.128 0.000 0.852 573 N CB -0.171 38.365 38.487 0.082 0.000 1.003 573 N HN 0.272 nan 8.380 nan 0.000 0.424 574 I N 1.421 122.065 120.570 0.124 0.000 2.179 574 I HA -0.251 2.910 4.170 -1.682 0.000 0.242 574 I C 2.278 178.508 176.117 0.189 0.000 1.088 574 I CA 0.870 62.255 61.300 0.141 0.000 1.357 574 I CB -0.247 37.819 38.000 0.109 0.000 1.051 574 I HN 0.045 nan 8.210 nan 0.000 0.409 575 L N -0.356 120.961 121.223 0.157 0.000 2.012 575 L HA -0.316 3.015 4.340 -1.682 0.000 0.210 575 L C 2.718 179.694 176.870 0.177 0.000 1.073 575 L CA 1.679 56.608 54.840 0.147 0.000 0.748 575 L CB -0.904 41.227 42.059 0.120 0.000 0.891 575 L HN 0.401 nan 8.230 nan 0.000 0.431 576 H N -1.134 117.984 119.070 0.079 0.000 2.290 576 H HA -0.287 3.259 4.556 -1.682 0.000 0.298 576 H C 2.355 177.724 175.328 0.068 0.000 1.087 576 H CA 2.270 58.354 56.048 0.061 0.000 1.291 576 H CB -0.080 29.715 29.762 0.055 0.000 1.369 576 H HN 0.327 nan 8.280 nan 0.000 0.492 577 Y N 1.732 122.010 120.300 -0.037 0.000 2.114 577 Y HA -0.257 3.284 4.550 -1.682 0.000 0.282 577 Y C 2.762 178.614 175.900 -0.079 0.000 1.165 577 Y CA 1.836 59.868 58.100 -0.113 0.000 1.148 577 Y CB -0.275 38.133 38.460 -0.086 0.000 0.972 577 Y HN 0.068 nan 8.280 nan 0.000 0.504 578 R N -0.028 120.482 120.500 0.017 0.000 2.081 578 R HA -0.197 3.134 4.340 -1.682 0.000 0.235 578 R C 2.267 178.504 176.300 -0.105 0.000 1.131 578 R CA 1.964 58.029 56.100 -0.059 0.000 0.960 578 R CB -0.379 29.971 30.300 0.083 0.000 0.856 578 R HN 0.569 nan 8.270 nan 0.000 0.436 579 Q N 0.424 120.191 119.800 -0.055 0.000 2.050 579 Q HA -0.121 3.210 4.340 -1.682 0.000 0.202 579 Q C 2.298 178.237 176.000 -0.102 0.000 0.980 579 Q CA 1.300 57.080 55.803 -0.038 0.000 0.840 579 Q CB -0.154 28.597 28.738 0.022 0.000 0.898 579 Q HN 0.314 nan 8.270 nan 0.000 0.424 580 L N -0.086 121.012 121.223 -0.209 0.000 2.017 580 L HA -0.135 3.196 4.340 -1.682 0.000 0.208 580 L C 2.464 179.200 176.870 -0.223 0.000 1.073 580 L CA 1.218 55.918 54.840 -0.233 0.000 0.745 580 L CB -0.950 40.905 42.059 -0.340 0.000 0.894 580 L HN 0.367 nan 8.230 nan 0.000 0.432 581 G N 0.086 108.674 108.800 -0.352 0.000 2.422 581 G HA2 -0.320 2.631 3.960 -1.682 0.000 0.218 581 G HA3 -0.320 2.631 3.960 -1.682 0.000 0.218 581 G C 1.649 176.448 174.900 -0.168 0.000 1.146 581 G CA 1.006 45.906 45.100 -0.334 0.000 0.769 581 G HN 0.200 nan 8.290 nan 0.000 0.547 582 K N 0.644 120.979 120.400 -0.109 0.000 2.002 582 K HA 0.067 3.378 4.320 -1.682 0.000 0.209 582 K C 2.464 179.100 176.600 0.060 0.000 1.048 582 K CA 0.975 57.249 56.287 -0.022 0.000 0.930 582 K CB -0.713 31.812 32.500 0.041 0.000 0.714 582 K HN 0.327 nan 8.250 nan 0.000 0.438 583 L N 0.402 121.685 121.223 0.101 0.000 2.012 583 L HA -0.248 3.083 4.340 -1.682 0.000 0.210 583 L C 2.758 179.690 176.870 0.104 0.000 1.073 583 L CA 1.884 56.831 54.840 0.180 0.000 0.748 583 L CB -0.684 41.416 42.059 0.068 0.000 0.891 583 L HN 0.374 nan 8.230 nan 0.000 0.431 584 Q N -0.055 119.746 119.800 0.002 0.000 1.993 584 Q HA -0.157 3.174 4.340 -1.682 0.000 0.202 584 Q C 2.311 178.293 176.000 -0.030 0.000 0.984 584 Q CA 2.448 58.238 55.803 -0.022 0.000 0.837 584 Q CB -0.153 28.546 28.738 -0.066 0.000 0.902 584 Q HN 0.303 nan 8.270 nan 0.000 0.423 585 S N -0.802 114.860 115.700 -0.062 0.000 2.345 585 S HA -0.080 3.381 4.470 -1.682 0.000 0.219 585 S C 1.965 176.498 174.600 -0.112 0.000 1.031 585 S CA 1.503 59.657 58.200 -0.077 0.000 0.984 585 S CB -0.508 62.642 63.200 -0.084 0.000 0.874 585 S HN 0.517 nan 8.310 nan 0.000 0.451 586 T N 0.633 115.071 114.554 -0.193 0.000 2.851 586 T HA 0.056 3.397 4.350 -1.682 0.000 0.262 586 T C 1.387 175.818 174.700 -0.448 0.000 1.043 586 T CA 1.141 63.004 62.100 -0.395 0.000 1.140 586 T CB -0.243 68.232 68.868 -0.654 0.000 0.872 586 T HN 0.436 nan 8.240 nan 0.000 0.446 587 Y N 0.192 120.500 120.300 0.013 0.000 2.265 587 Y HA 0.229 3.770 4.550 -1.682 0.000 0.290 587 Y C 2.419 178.339 175.900 0.033 0.000 1.137 587 Y CA -0.136 57.988 58.100 0.039 0.000 1.147 587 Y CB -0.182 38.307 38.460 0.048 0.000 1.104 587 Y HN -0.019 nan 8.280 nan 0.000 0.514 588 I N 1.064 121.730 120.570 0.160 0.000 2.099 588 I HA -0.263 2.898 4.170 -1.682 0.000 0.239 588 I C 1.976 178.113 176.117 0.034 0.000 1.066 588 I CA 1.854 63.201 61.300 0.078 0.000 1.324 588 I CB -1.275 36.750 38.000 0.043 0.000 1.037 588 I HN 0.391 nan 8.210 nan 0.000 0.401 589 E N 0.657 120.862 120.200 0.009 0.000 2.106 589 E HA -0.126 3.215 4.350 -1.682 0.000 0.192 589 E C 2.305 178.899 176.600 -0.011 0.000 0.984 589 E CA 1.100 57.494 56.400 -0.009 0.000 0.806 589 E CB -0.390 29.296 29.700 -0.022 0.000 0.750 589 E HN 0.592 nan 8.360 nan 0.000 0.458 590 G N 1.484 110.275 108.800 -0.015 0.000 2.421 590 G HA2 -0.234 2.717 3.960 -1.682 0.000 0.216 590 G HA3 -0.234 2.717 3.960 -1.682 0.000 0.216 590 G C 1.491 176.399 174.900 0.013 0.000 1.171 590 G CA 0.432 45.523 45.100 -0.017 0.000 0.775 590 G HN 0.045 nan 8.290 nan 0.000 0.543 591 L N 0.399 121.649 121.223 0.046 0.000 2.027 591 L HA 0.152 3.483 4.340 -1.682 0.000 0.206 591 L C 2.924 179.791 176.870 -0.005 0.000 1.074 591 L CA 1.010 55.876 54.840 0.042 0.000 0.745 591 L CB -1.031 41.068 42.059 0.066 0.000 0.898 591 L HN 0.183 nan 8.230 nan 0.000 0.433 592 L N -0.777 120.440 121.223 -0.010 0.000 2.131 592 L HA -0.236 3.095 4.340 -1.682 0.000 0.210 592 L C 2.496 179.354 176.870 -0.021 0.000 1.092 592 L CA 1.050 55.876 54.840 -0.023 0.000 0.759 592 L CB -0.417 41.629 42.059 -0.021 0.000 0.903 592 L HN 0.288 nan 8.230 nan 0.000 0.435 593 K N 0.178 120.568 120.400 -0.016 0.000 2.148 593 K HA -0.135 3.176 4.320 -1.682 0.000 0.204 593 K C 1.699 178.287 176.600 -0.020 0.000 1.050 593 K CA 1.564 57.840 56.287 -0.019 0.000 0.942 593 K CB 0.209 32.697 32.500 -0.019 0.000 0.724 593 K HN 0.342 nan 8.250 nan 0.000 0.446 594 V N -2.146 117.758 119.914 -0.017 0.000 3.643 594 V HA 0.214 3.325 4.120 -1.682 0.000 0.280 594 V C 0.521 176.607 176.094 -0.014 0.000 1.351 594 V CA -0.589 61.702 62.300 -0.016 0.000 1.073 594 V CB 0.399 32.216 31.823 -0.009 0.000 0.863 594 V HN -0.155 nan 8.190 nan 0.000 0.436 595 V N 3.557 123.457 119.914 -0.024 0.000 2.617 595 V HA 0.170 3.281 4.120 -1.682 0.000 0.304 595 V C 0.831 176.919 176.094 -0.010 0.000 1.040 595 V CA 0.097 62.378 62.300 -0.031 0.000 1.149 595 V CB -0.082 31.708 31.823 -0.054 0.000 0.914 595 V HN 0.490 nan 8.190 nan 0.000 0.487 596 R N 7.418 127.929 120.500 0.020 0.000 2.347 596 R HA 0.206 3.537 4.340 -1.682 0.000 0.304 596 R C -1.439 174.870 176.300 0.015 0.000 1.072 596 R CA -2.391 53.731 56.100 0.037 0.000 0.980 596 R CB 0.435 30.808 30.300 0.121 0.000 0.986 596 R HN 0.494 nan 8.270 nan 0.000 0.448 597 P HA -0.114 nan 4.420 nan 0.000 0.223 597 P C 0.256 177.557 177.300 0.001 0.000 1.151 597 P CA 0.947 64.045 63.100 -0.004 0.000 0.787 597 P CB 0.366 32.061 31.700 -0.007 0.000 0.788 598 D N -0.005 120.404 120.400 0.016 0.000 2.137 598 D HA -0.098 3.533 4.640 -1.682 0.000 0.202 598 D C 1.587 177.892 176.300 0.008 0.000 0.970 598 D CA 1.897 55.907 54.000 0.017 0.000 0.837 598 D CB -1.489 39.331 40.800 0.033 0.000 0.981 598 D HN 0.238 nan 8.370 nan 0.000 0.475 599 T N -3.449 111.116 114.554 0.018 0.000 3.001 599 T HA 0.208 3.549 4.350 -1.682 0.000 0.251 599 T C 0.799 175.479 174.700 -0.032 0.000 1.040 599 T CA -0.190 61.907 62.100 -0.005 0.000 0.985 599 T CB -0.025 68.855 68.868 0.019 0.000 1.011 599 T HN 0.127 nan 8.240 nan 0.000 0.509 600 K N 0.678 121.061 120.400 -0.028 0.000 3.209 600 K HA -0.155 3.156 4.320 -1.682 0.000 0.289 600 K C -0.454 176.093 176.600 -0.088 0.000 1.191 600 K CA 0.692 56.945 56.287 -0.057 0.000 0.851 600 K CB -1.436 31.024 32.500 -0.066 0.000 1.242 600 K HN 0.511 nan 8.250 nan 0.000 0.480 601 K N 0.897 121.249 120.400 -0.079 0.000 2.098 601 K HA 0.453 3.765 4.320 -1.682 0.000 0.258 601 K C 0.207 176.689 176.600 -0.198 0.000 0.973 601 K CA -0.702 55.475 56.287 -0.184 0.000 0.898 601 K CB 1.835 34.165 32.500 -0.284 0.000 1.057 601 K HN 0.069 nan 8.250 nan 0.000 0.447 602 V N -0.757 118.999 119.914 -0.263 0.000 2.547 602 V HA 0.411 3.522 4.120 -1.682 0.000 0.299 602 V C -0.573 175.297 176.094 -0.374 0.000 1.040 602 V CA -0.666 61.520 62.300 -0.190 0.000 0.913 602 V CB 1.455 33.243 31.823 -0.058 0.000 0.992 602 V HN 0.709 nan 8.190 nan 0.000 0.449 603 H N 2.322 121.311 119.070 -0.135 0.000 2.786 603 H HA 0.389 3.936 4.556 -1.681 0.000 0.284 603 H C 0.186 175.404 175.328 -0.182 0.000 1.104 603 H CA -0.204 55.685 56.048 -0.265 0.000 1.339 603 H CB 1.705 31.046 29.762 -0.702 0.000 1.427 603 H HN 0.886 nan 8.280 nan 0.000 0.497 604 T N 2.634 117.170 114.554 -0.030 0.000 2.766 604 T HA 0.371 3.712 4.350 -1.682 0.000 0.295 604 T C 0.568 175.269 174.700 0.002 0.000 1.024 604 T CA -0.308 61.733 62.100 -0.100 0.000 1.018 604 T CB 0.350 69.016 68.868 -0.336 0.000 1.002 604 T HN 0.411 nan 8.240 nan 0.000 0.532 605 I N 2.444 122.939 120.570 -0.124 0.000 2.418 605 I HA 0.323 3.484 4.170 -1.682 0.000 0.287 605 I C -0.903 175.121 176.117 -0.156 0.000 1.008 605 I CA -0.715 60.541 61.300 -0.074 0.000 1.104 605 I CB 1.492 39.394 38.000 -0.163 0.000 1.264 605 I HN 0.565 nan 8.210 nan 0.000 0.438 606 F N 4.955 124.975 119.950 0.116 0.000 2.413 606 F HA 0.207 3.725 4.527 -1.682 0.000 0.359 606 F C 0.941 176.775 175.800 0.056 0.000 1.122 606 F CA -0.341 57.706 58.000 0.078 0.000 1.160 606 F CB 0.353 39.396 39.000 0.072 0.000 1.146 606 F HN 0.448 nan 8.300 nan 0.000 0.514 607 N N 3.898 122.705 118.700 0.178 0.000 2.405 607 N HA -0.022 3.709 4.740 -1.682 0.000 0.260 607 N C 0.554 176.083 175.510 0.032 0.000 1.152 607 N CA 0.311 53.411 53.050 0.082 0.000 0.948 607 N CB 0.921 39.436 38.487 0.046 0.000 1.111 607 N HN 0.745 nan 8.380 nan 0.000 0.485 608 Q N 2.722 122.492 119.800 -0.050 0.000 2.392 608 Q HA 0.204 3.535 4.340 -1.682 0.000 0.203 608 Q C -0.209 175.485 176.000 -0.511 0.000 0.917 608 Q CA 0.136 55.849 55.803 -0.149 0.000 0.939 608 Q CB 0.374 29.052 28.738 -0.101 0.000 1.063 608 Q HN 0.642 nan 8.270 nan 0.000 0.516 609 A N 0.412 122.883 122.820 -0.582 0.000 2.795 609 A HA 0.318 3.629 4.320 -1.682 0.000 0.282 609 A C 0.085 177.321 177.584 -0.580 0.000 0.964 609 A CA -0.324 51.052 52.037 -1.102 0.000 1.045 609 A CB 0.169 18.829 19.000 -0.566 0.000 1.174 609 A HN 0.428 nan 8.150 nan 0.000 0.493 610 L N -0.635 120.390 121.223 -0.329 0.000 2.664 610 L HA 0.272 3.603 4.340 -1.682 0.000 0.198 610 L C 1.288 178.278 176.870 0.200 0.000 1.057 610 L CA 1.110 55.965 54.840 0.024 0.000 0.871 610 L CB 0.466 42.542 42.059 0.028 0.000 1.364 610 L HN 0.382 nan 8.230 nan 0.000 0.483 611 T N -1.830 112.852 114.554 0.212 0.000 2.898 611 T HA 0.047 3.388 4.350 -1.682 0.000 0.301 611 T C 0.745 175.604 174.700 0.266 0.000 1.049 611 T CA -0.421 61.809 62.100 0.215 0.000 1.095 611 T CB 0.947 69.915 68.868 0.167 0.000 0.976 611 T HN 0.233 nan 8.240 nan 0.000 0.539 612 Q N 1.282 121.177 119.800 0.158 0.000 2.435 612 Q HA 0.027 3.358 4.340 -1.682 0.000 0.207 612 Q C 2.076 178.110 176.000 0.057 0.000 0.956 612 Q CA 1.358 57.224 55.803 0.105 0.000 0.917 612 Q CB -0.149 28.641 28.738 0.087 0.000 0.997 612 Q HN 1.029 nan 8.270 nan 0.000 0.497 613 T N -5.247 109.352 114.554 0.076 0.000 3.044 613 T HA 0.405 3.746 4.350 -1.682 0.000 0.260 613 T C 1.235 175.969 174.700 0.056 0.000 1.019 613 T CA 0.521 62.648 62.100 0.046 0.000 0.921 613 T CB 0.811 69.703 68.868 0.040 0.000 1.053 613 T HN 0.275 nan 8.240 nan 0.000 0.533 614 G N 1.727 110.605 108.800 0.130 0.000 2.176 614 G HA2 -0.216 2.735 3.960 -1.682 0.000 0.232 614 G HA3 -0.216 2.735 3.960 -1.682 0.000 0.232 614 G C 0.201 175.213 174.900 0.186 0.000 0.986 614 G CA -0.350 44.860 45.100 0.184 0.000 0.643 614 G HN 0.632 nan 8.290 nan 0.000 0.522 615 R N -0.283 120.314 120.500 0.162 0.000 2.774 615 R HA 0.548 3.879 4.340 -1.682 0.000 0.269 615 R C 0.999 177.417 176.300 0.196 0.000 1.068 615 R CA -0.174 56.030 56.100 0.174 0.000 1.180 615 R CB 0.360 30.739 30.300 0.131 0.000 1.077 615 R HN 0.289 nan 8.270 nan 0.000 0.513 616 L N 0.504 121.857 121.223 0.218 0.000 2.456 616 L HA 0.274 3.605 4.340 -1.682 0.000 0.257 616 L C 0.668 177.710 176.870 0.286 0.000 1.162 616 L CA -0.238 54.728 54.840 0.209 0.000 0.808 616 L CB 1.218 43.386 42.059 0.182 0.000 1.136 616 L HN 0.747 nan 8.230 nan 0.000 0.466 617 S N -0.446 115.403 115.700 0.248 0.000 2.709 617 S HA 0.697 4.158 4.470 -1.682 0.000 0.302 617 S C -0.744 173.983 174.600 0.211 0.000 1.127 617 S CA -0.732 57.612 58.200 0.240 0.000 0.905 617 S CB 2.004 65.300 63.200 0.160 0.000 1.151 617 S HN 0.540 nan 8.310 nan 0.000 0.510 618 S N 0.565 116.337 115.700 0.119 0.000 2.571 618 S HA 0.772 4.234 4.470 -1.682 0.000 0.284 618 S C -0.897 173.682 174.600 -0.036 0.000 1.128 618 S CA -0.239 57.935 58.200 -0.044 0.000 0.970 618 S CB 1.089 64.242 63.200 -0.078 0.000 1.039 618 S HN 1.379 nan 8.310 nan 0.000 0.485 619 T N 0.553 115.057 114.554 -0.082 0.000 2.903 619 T HA 0.619 3.960 4.350 -1.682 0.000 0.299 619 T C -0.324 174.343 174.700 -0.054 0.000 1.093 619 T CA -0.626 61.447 62.100 -0.043 0.000 1.002 619 T CB 1.385 70.237 68.868 -0.025 0.000 1.127 619 T HN 0.819 nan 8.240 nan 0.000 0.488 620 E N 1.585 121.768 120.200 -0.029 0.000 2.222 620 E HA -0.134 3.207 4.350 -1.682 0.000 0.189 620 E C -2.352 174.238 176.600 -0.016 0.000 1.415 620 E CA -0.043 56.343 56.400 -0.023 0.000 0.689 620 E CB -0.516 29.164 29.700 -0.034 0.000 1.107 620 E HN 0.579 nan 8.360 nan 0.000 0.350 621 P HA 0.149 nan 4.420 nan 0.000 0.290 621 P C -0.661 176.647 177.300 0.014 0.000 1.283 621 P CA -0.652 62.463 63.100 0.024 0.000 0.869 621 P CB 0.864 32.613 31.700 0.082 0.000 1.100 622 N N 2.065 120.788 118.700 0.038 0.000 2.416 622 N HA 0.029 3.760 4.740 -1.682 0.000 0.265 622 N C 0.221 175.798 175.510 0.111 0.000 1.195 622 N CA 0.034 53.115 53.050 0.052 0.000 0.943 622 N CB -0.435 38.095 38.487 0.071 0.000 1.115 622 N HN 0.181 nan 8.380 nan 0.000 0.481 623 L N 3.045 124.313 121.223 0.076 0.000 2.628 623 L HA 0.228 3.559 4.340 -1.682 0.000 0.229 623 L C 1.357 178.336 176.870 0.181 0.000 1.137 623 L CA 0.645 55.567 54.840 0.137 0.000 0.909 623 L CB -0.316 41.794 42.059 0.086 0.000 1.137 623 L HN 0.639 nan 8.230 nan 0.000 0.470 624 Q N -0.190 119.698 119.800 0.147 0.000 2.282 624 Q HA 0.133 3.464 4.340 -1.682 0.000 0.206 624 Q C 0.466 176.558 176.000 0.153 0.000 0.878 624 Q CA 0.073 55.960 55.803 0.139 0.000 0.944 624 Q CB 0.364 29.155 28.738 0.087 0.000 1.100 624 Q HN 0.449 nan 8.270 nan 0.000 0.509 625 N N -0.270 118.525 118.700 0.158 0.000 2.377 625 N HA 0.062 3.793 4.740 -1.682 0.000 0.259 625 N C -0.476 175.098 175.510 0.107 0.000 1.332 625 N CA -0.218 52.923 53.050 0.151 0.000 0.877 625 N CB 0.388 38.989 38.487 0.190 0.000 1.299 625 N HN -0.060 nan 8.380 nan 0.000 0.501 626 I N 1.646 122.192 120.570 -0.040 0.000 2.618 626 I HA 0.231 3.392 4.170 -1.682 0.000 0.284 626 I C -1.834 174.019 176.117 -0.440 0.000 1.146 626 I CA -1.755 59.347 61.300 -0.330 0.000 1.425 626 I CB -0.165 37.555 38.000 -0.466 0.000 1.383 626 I HN -0.074 nan 8.210 nan 0.000 0.562 627 P HA 0.174 nan 4.420 nan 0.000 0.267 627 P C 0.620 177.722 177.300 -0.331 0.000 1.200 627 P CA 0.220 63.091 63.100 -0.381 0.000 0.772 627 P CB 1.262 32.723 31.700 -0.399 0.000 0.855 628 I N 0.832 121.261 120.570 -0.235 0.000 5.285 628 I HA 0.088 3.250 4.170 -1.682 0.000 0.351 628 I C 1.650 177.676 176.117 -0.151 0.000 1.206 628 I CA 0.002 61.165 61.300 -0.229 0.000 1.527 628 I CB 0.386 38.227 38.000 -0.265 0.000 1.694 628 I HN 0.116 nan 8.210 nan 0.000 0.585 629 R N 0.919 121.355 120.500 -0.106 0.000 2.090 629 R HA 0.135 3.466 4.340 -1.682 0.000 0.228 629 R C 0.162 176.428 176.300 -0.056 0.000 1.110 629 R CA 0.899 56.958 56.100 -0.069 0.000 0.973 629 R CB 0.019 30.296 30.300 -0.039 0.000 0.869 629 R HN 0.231 nan 8.270 nan 0.000 0.440 630 L N 0.552 121.743 121.223 -0.052 0.000 2.329 630 L HA 0.195 3.526 4.340 -1.682 0.000 0.279 630 L C 1.149 178.001 176.870 -0.029 0.000 1.014 630 L CA -0.553 54.269 54.840 -0.031 0.000 0.814 630 L CB 1.871 43.921 42.059 -0.014 0.000 1.257 630 L HN -0.108 nan 8.230 nan 0.000 0.424 631 E N 1.825 122.019 120.200 -0.010 0.000 2.118 631 E HA -0.246 3.095 4.350 -1.682 0.000 0.195 631 E C 1.446 178.062 176.600 0.027 0.000 0.992 631 E CA 1.919 58.331 56.400 0.020 0.000 0.804 631 E CB 0.285 30.003 29.700 0.031 0.000 0.741 631 E HN 0.678 nan 8.360 nan 0.000 0.458 632 E N -0.603 119.604 120.200 0.012 0.000 2.058 632 E HA -0.105 3.236 4.350 -1.682 0.000 0.194 632 E C 2.080 178.672 176.600 -0.013 0.000 0.997 632 E CA 1.435 57.840 56.400 0.009 0.000 0.801 632 E CB -0.699 29.014 29.700 0.022 0.000 0.746 632 E HN 0.424 nan 8.360 nan 0.000 0.450 633 G N 0.382 109.161 108.800 -0.035 0.000 2.430 633 G HA2 -0.262 2.690 3.960 -1.682 0.000 0.216 633 G HA3 -0.262 2.690 3.960 -1.682 0.000 0.216 633 G C 1.526 176.359 174.900 -0.112 0.000 1.146 633 G CA 0.441 45.487 45.100 -0.089 0.000 0.793 633 G HN 0.111 nan 8.290 nan 0.000 0.537 634 R N 0.648 121.107 120.500 -0.069 0.000 2.159 634 R HA -0.056 3.275 4.340 -1.682 0.000 0.237 634 R C 2.279 178.639 176.300 0.099 0.000 1.131 634 R CA 1.381 57.453 56.100 -0.046 0.000 0.982 634 R CB -0.187 30.099 30.300 -0.023 0.000 0.868 634 R HN 0.256 nan 8.270 nan 0.000 0.453 635 K N 0.227 120.672 120.400 0.075 0.000 2.211 635 K HA -0.106 3.205 4.320 -1.682 0.000 0.204 635 K C 1.884 178.477 176.600 -0.011 0.000 1.047 635 K CA 1.041 57.317 56.287 -0.018 0.000 0.935 635 K CB -0.045 32.409 32.500 -0.077 0.000 0.728 635 K HN 0.200 nan 8.250 nan 0.000 0.452 636 I N 1.266 121.837 120.570 0.001 0.000 2.248 636 I HA -0.313 2.848 4.170 -1.682 0.000 0.248 636 I C 1.902 178.134 176.117 0.192 0.000 1.107 636 I CA 1.611 62.946 61.300 0.058 0.000 1.373 636 I CB -0.807 37.190 38.000 -0.005 0.000 1.055 636 I HN 0.231 nan 8.210 nan 0.000 0.418 637 R N 0.471 121.040 120.500 0.114 0.000 2.241 637 R HA -0.149 3.182 4.340 -1.682 0.000 0.224 637 R C 2.065 178.578 176.300 0.355 0.000 1.101 637 R CA 0.627 56.840 56.100 0.187 0.000 0.995 637 R CB -0.219 29.979 30.300 -0.171 0.000 0.870 637 R HN 0.570 nan 8.270 nan 0.000 0.463 638 Q N -0.088 119.829 119.800 0.194 0.000 2.291 638 Q HA -0.068 3.263 4.340 -1.682 0.000 0.206 638 Q C 1.708 177.787 176.000 0.132 0.000 0.976 638 Q CA 1.306 57.166 55.803 0.094 0.000 0.875 638 Q CB 0.085 28.735 28.738 -0.147 0.000 0.927 638 Q HN 0.331 nan 8.270 nan 0.000 0.450 639 A N -0.181 122.735 122.820 0.160 0.000 2.251 639 A HA 0.105 3.416 4.320 -1.682 0.000 0.209 639 A C 0.010 177.562 177.584 -0.055 0.000 1.187 639 A CA -0.097 51.955 52.037 0.024 0.000 0.823 639 A CB 0.111 19.074 19.000 -0.062 0.000 0.846 639 A HN 0.154 nan 8.150 nan 0.000 0.486 640 F N 0.620 120.670 119.950 0.166 0.000 2.361 640 F HA 0.466 3.985 4.527 -1.680 0.000 0.364 640 F C 0.289 176.190 175.800 0.168 0.000 1.120 640 F CA -0.552 57.568 58.000 0.200 0.000 1.102 640 F CB 1.615 40.855 39.000 0.399 0.000 1.183 640 F HN 0.056 nan 8.300 nan 0.000 0.476 641 V N 1.774 121.804 119.914 0.193 0.000 3.074 641 V HA 0.748 3.859 4.120 -1.682 0.000 0.314 641 V C -2.872 173.287 176.094 0.108 0.000 1.117 641 V CA -3.235 59.151 62.300 0.143 0.000 1.014 641 V CB 1.909 33.778 31.823 0.076 0.000 1.057 641 V HN 0.316 nan 8.190 nan 0.000 0.438 642 P HA 0.218 nan 4.420 nan 0.000 0.269 642 P C 0.823 178.118 177.300 -0.008 0.000 1.215 642 P CA 0.300 63.463 63.100 0.105 0.000 0.780 642 P CB 0.838 32.655 31.700 0.196 0.000 0.898 643 S N 0.206 115.852 115.700 -0.091 0.000 2.481 643 S HA -0.020 3.441 4.470 -1.682 0.000 0.231 643 S C 0.389 174.795 174.600 -0.324 0.000 0.996 643 S CA 0.540 58.623 58.200 -0.196 0.000 0.942 643 S CB -0.418 62.661 63.200 -0.202 0.000 0.768 643 S HN 0.489 nan 8.310 nan 0.000 0.520 644 E N 0.952 120.862 120.200 -0.483 0.000 2.336 644 E HA 0.486 3.827 4.350 -1.682 0.000 0.267 644 E C -1.090 175.365 176.600 -0.242 0.000 0.906 644 E CA -0.859 55.217 56.400 -0.541 0.000 0.781 644 E CB 1.823 30.838 29.700 -1.142 0.000 1.261 644 E HN 0.082 nan 8.360 nan 0.000 0.436 645 S N 1.480 117.111 115.700 -0.114 0.000 2.572 645 S HA 0.021 3.482 4.470 -1.682 0.000 0.279 645 S C 0.120 174.811 174.600 0.152 0.000 1.341 645 S CA -0.105 58.107 58.200 0.020 0.000 1.043 645 S CB 0.107 63.316 63.200 0.016 0.000 0.887 645 S HN 0.659 nan 8.310 nan 0.000 0.516 646 D N -0.733 119.772 120.400 0.175 0.000 3.076 646 D HA -0.131 3.500 4.640 -1.682 0.000 0.218 646 D C -0.852 175.651 176.300 0.338 0.000 1.156 646 D CA 1.076 55.203 54.000 0.213 0.000 0.921 646 D CB -1.000 39.902 40.800 0.170 0.000 1.113 646 D HN 0.513 nan 8.370 nan 0.000 0.418 647 W N 0.097 121.401 121.300 0.007 0.000 2.485 647 W HA 0.741 4.392 4.660 -1.682 0.000 0.364 647 W C 0.675 177.210 176.519 0.027 0.000 1.171 647 W CA -0.405 56.937 57.345 -0.004 0.000 1.304 647 W CB 0.602 30.049 29.460 -0.022 0.000 1.335 647 W HN -0.187 nan 8.180 nan 0.000 0.643 648 L N 2.346 123.705 121.223 0.227 0.000 2.409 648 L HA 0.477 3.808 4.340 -1.682 0.000 0.255 648 L C -0.721 176.271 176.870 0.202 0.000 1.027 648 L CA -1.290 53.673 54.840 0.204 0.000 0.834 648 L CB 1.869 44.043 42.059 0.191 0.000 1.426 648 L HN 0.000 nan 8.230 nan 0.000 0.411 649 I N 1.398 122.106 120.570 0.230 0.000 2.385 649 I HA 0.310 3.471 4.170 -1.682 0.000 0.294 649 I C -0.705 175.585 176.117 0.289 0.000 0.988 649 I CA -0.015 61.410 61.300 0.207 0.000 1.265 649 I CB 1.170 39.278 38.000 0.181 0.000 1.388 649 I HN 0.367 nan 8.210 nan 0.000 0.480 650 F N 5.284 125.284 119.950 0.083 0.000 2.493 650 F HA 0.713 4.231 4.527 -1.681 0.000 0.329 650 F C -0.391 175.459 175.800 0.083 0.000 1.126 650 F CA -0.485 57.587 58.000 0.120 0.000 0.937 650 F CB 1.522 40.536 39.000 0.024 0.000 1.146 650 F HN 0.508 nan 8.300 nan 0.000 0.442 651 A N 4.622 127.366 122.820 -0.126 0.000 2.343 651 A HA 0.906 4.217 4.320 -1.682 0.000 0.316 651 A C -1.421 176.087 177.584 -0.127 0.000 1.104 651 A CA -0.342 51.689 52.037 -0.010 0.000 0.768 651 A CB 1.009 20.081 19.000 0.120 0.000 1.213 651 A HN 1.163 nan 8.150 nan 0.000 0.456 652 A N 2.953 125.782 122.820 0.015 0.000 2.356 652 A HA 0.773 4.084 4.320 -1.682 0.000 0.310 652 A C -1.198 176.366 177.584 -0.033 0.000 1.075 652 A CA -0.533 51.507 52.037 0.005 0.000 0.746 652 A CB 1.010 20.069 19.000 0.098 0.000 1.221 652 A HN 0.914 nan 8.150 nan 0.000 0.443 653 D N 0.986 121.364 120.400 -0.037 0.000 2.738 653 D HA 0.260 3.891 4.640 -1.682 0.000 0.237 653 D C -1.396 174.901 176.300 -0.005 0.000 1.123 653 D CA -0.352 53.638 54.000 -0.016 0.000 0.856 653 D CB 0.954 41.792 40.800 0.065 0.000 1.552 653 D HN 0.467 nan 8.370 nan 0.000 0.480 654 Y N 1.159 121.487 120.300 0.046 0.000 2.616 654 Y HA 0.123 3.665 4.550 -1.681 0.000 0.350 654 Y C 0.733 176.647 175.900 0.023 0.000 1.119 654 Y CA -0.483 57.630 58.100 0.022 0.000 1.467 654 Y CB 0.518 38.980 38.460 0.005 0.000 1.287 654 Y HN 0.232 nan 8.280 nan 0.000 0.504 655 S N 4.499 120.308 115.700 0.181 0.000 2.629 655 S HA -0.124 3.337 4.470 -1.682 0.000 0.302 655 S C 0.411 175.070 174.600 0.098 0.000 1.244 655 S CA -0.020 58.258 58.200 0.131 0.000 1.098 655 S CB -0.094 63.171 63.200 0.108 0.000 0.858 655 S HN 0.776 nan 8.310 nan 0.000 0.502 656 Q N 0.091 119.966 119.800 0.125 0.000 2.457 656 Q HA -0.253 3.079 4.340 -1.682 0.000 0.283 656 Q C 0.783 176.774 176.000 -0.015 0.000 1.234 656 Q CA 0.613 56.484 55.803 0.114 0.000 0.877 656 Q CB -1.853 26.967 28.738 0.138 0.000 1.250 656 Q HN 0.859 nan 8.270 nan 0.000 0.481 657 I N -0.097 120.461 120.570 -0.021 0.000 2.264 657 I HA -0.317 2.844 4.170 -1.682 0.000 0.248 657 I C 2.084 178.115 176.117 -0.143 0.000 1.111 657 I CA 1.825 63.039 61.300 -0.143 0.000 1.382 657 I CB 0.083 37.968 38.000 -0.191 0.000 1.060 657 I HN 0.353 nan 8.210 nan 0.000 0.418 658 E N 0.388 120.559 120.200 -0.048 0.000 2.110 658 E HA -0.233 3.108 4.350 -1.682 0.000 0.193 658 E C 2.216 178.804 176.600 -0.021 0.000 0.988 658 E CA 1.404 57.787 56.400 -0.029 0.000 0.804 658 E CB -0.127 29.586 29.700 0.022 0.000 0.745 658 E HN 0.552 nan 8.360 nan 0.000 0.458 659 L N 0.151 121.389 121.223 0.026 0.000 2.240 659 L HA -0.074 3.257 4.340 -1.682 0.000 0.211 659 L C 2.441 179.304 176.870 -0.013 0.000 1.106 659 L CA 0.628 55.524 54.840 0.093 0.000 0.793 659 L CB -0.101 42.111 42.059 0.255 0.000 0.927 659 L HN -0.004 nan 8.230 nan 0.000 0.446 660 R N -0.744 119.524 120.500 -0.387 0.000 2.075 660 R HA -0.111 3.220 4.340 -1.682 0.000 0.232 660 R C 2.253 178.405 176.300 -0.246 0.000 1.126 660 R CA 1.096 56.822 56.100 -0.624 0.000 0.963 660 R CB -0.432 29.422 30.300 -0.744 0.000 0.858 660 R HN 0.131 nan 8.270 nan 0.000 0.435 661 V N 1.444 121.241 119.914 -0.195 0.000 2.295 661 V HA -0.246 2.865 4.120 -1.682 0.000 0.246 661 V C 2.195 178.243 176.094 -0.077 0.000 1.049 661 V CA 1.595 63.819 62.300 -0.127 0.000 1.024 661 V CB -0.486 31.253 31.823 -0.139 0.000 0.648 661 V HN 0.252 nan 8.190 nan 0.000 0.447 662 L N 0.998 122.162 121.223 -0.098 0.000 2.012 662 L HA -0.148 3.183 4.340 -1.682 0.000 0.210 662 L C 2.473 179.291 176.870 -0.086 0.000 1.073 662 L CA 2.485 57.235 54.840 -0.150 0.000 0.748 662 L CB -1.153 40.849 42.059 -0.095 0.000 0.891 662 L HN 0.240 nan 8.230 nan 0.000 0.431 663 A N -1.294 121.537 122.820 0.019 0.000 1.883 663 A HA -0.341 2.970 4.320 -1.682 0.000 0.217 663 A C 2.310 179.922 177.584 0.047 0.000 1.186 663 A CA 2.033 54.119 52.037 0.082 0.000 0.624 663 A CB -1.145 17.994 19.000 0.230 0.000 0.822 663 A HN 0.766 nan 8.150 nan 0.000 0.444 664 H N -0.357 118.681 119.070 -0.053 0.000 2.293 664 H HA -0.040 3.506 4.556 -1.683 0.000 0.300 664 H C 1.778 177.072 175.328 -0.057 0.000 1.082 664 H CA 2.174 58.190 56.048 -0.055 0.000 1.308 664 H CB -0.228 29.484 29.762 -0.082 0.000 1.375 664 H HN 0.414 nan 8.280 nan 0.000 0.495 665 I N 0.101 120.639 120.570 -0.054 0.000 2.252 665 I HA -0.166 2.995 4.170 -1.682 0.000 0.245 665 I C 2.577 178.625 176.117 -0.114 0.000 1.102 665 I CA 0.997 62.233 61.300 -0.107 0.000 1.385 665 I CB -0.342 37.600 38.000 -0.098 0.000 1.064 665 I HN 0.439 nan 8.210 nan 0.000 0.414 666 A N -0.143 122.595 122.820 -0.135 0.000 2.119 666 A HA -0.102 3.209 4.320 -1.682 0.000 0.216 666 A C 1.040 178.625 177.584 0.001 0.000 1.152 666 A CA 0.354 52.377 52.037 -0.023 0.000 0.708 666 A CB -0.414 18.576 19.000 -0.016 0.000 0.805 666 A HN 0.533 nan 8.150 nan 0.000 0.460 667 E N 0.697 120.870 120.200 -0.045 0.000 2.269 667 E HA -0.202 3.139 4.350 -1.682 0.000 0.223 667 E C -0.487 176.126 176.600 0.021 0.000 1.244 667 E CA 0.642 57.025 56.400 -0.028 0.000 0.713 667 E CB -1.443 28.228 29.700 -0.049 0.000 1.178 667 E HN 0.746 nan 8.360 nan 0.000 0.370 668 D N 0.747 121.176 120.400 0.049 0.000 2.343 668 D HA -0.022 3.609 4.640 -1.682 0.000 0.255 668 D C 0.710 177.059 176.300 0.083 0.000 1.187 668 D CA -0.179 53.872 54.000 0.084 0.000 0.875 668 D CB 0.733 41.611 40.800 0.130 0.000 1.136 668 D HN 0.046 nan 8.370 nan 0.000 0.469 669 D N 3.487 123.923 120.400 0.061 0.000 2.144 669 D HA -0.156 3.476 4.640 -1.682 0.000 0.199 669 D C 1.282 177.615 176.300 0.054 0.000 0.984 669 D CA 0.912 54.939 54.000 0.045 0.000 0.834 669 D CB 0.225 41.038 40.800 0.021 0.000 0.955 669 D HN 0.474 nan 8.370 nan 0.000 0.465 670 N N 0.465 119.206 118.700 0.069 0.000 2.171 670 N HA -0.079 3.652 4.740 -1.682 0.000 0.184 670 N C 1.892 177.496 175.510 0.156 0.000 1.021 670 N CA 0.171 53.261 53.050 0.066 0.000 0.854 670 N CB -0.399 38.057 38.487 -0.052 0.000 0.994 670 N HN 0.112 nan 8.380 nan 0.000 0.426 671 L N 1.204 122.566 121.223 0.233 0.000 2.046 671 L HA 0.033 3.365 4.340 -1.682 0.000 0.208 671 L C 2.199 179.128 176.870 0.098 0.000 1.077 671 L CA 1.363 56.262 54.840 0.098 0.000 0.747 671 L CB -0.506 41.581 42.059 0.047 0.000 0.896 671 L HN 0.129 nan 8.230 nan 0.000 0.432 672 M N -1.396 118.284 119.600 0.134 0.000 2.086 672 M HA -0.214 3.257 4.480 -1.682 0.000 0.261 672 M C 2.169 178.539 176.300 0.117 0.000 1.067 672 M CA 1.784 57.175 55.300 0.153 0.000 1.116 672 M CB -0.391 32.270 32.600 0.101 0.000 1.348 672 M HN 0.192 nan 8.290 nan 0.000 0.407 673 E N 0.849 121.089 120.200 0.066 0.000 2.085 673 E HA -0.157 3.184 4.350 -1.682 0.000 0.194 673 E C 1.812 178.421 176.600 0.015 0.000 0.994 673 E CA 1.932 58.356 56.400 0.039 0.000 0.801 673 E CB -0.184 29.526 29.700 0.018 0.000 0.743 673 E HN 0.401 nan 8.360 nan 0.000 0.453 674 A N -0.350 122.449 122.820 -0.036 0.000 1.908 674 A HA -0.147 3.164 4.320 -1.682 0.000 0.218 674 A C 2.188 179.679 177.584 -0.155 0.000 1.181 674 A CA 1.566 53.517 52.037 -0.142 0.000 0.627 674 A CB -0.998 17.844 19.000 -0.263 0.000 0.818 674 A HN 0.414 nan 8.150 nan 0.000 0.445 675 F N -0.699 119.258 119.950 0.011 0.000 2.259 675 F HA -0.045 3.497 4.527 -1.641 0.000 0.298 675 F C 2.553 178.359 175.800 0.009 0.000 1.088 675 F CA 0.994 58.995 58.000 0.001 0.000 1.358 675 F CB -0.067 38.929 39.000 -0.006 0.000 1.040 675 F HN 0.082 nan 8.300 nan 0.000 0.505 676 R N 0.093 120.701 120.500 0.180 0.000 2.189 676 R HA -0.059 3.272 4.340 -1.682 0.000 0.223 676 R C 1.642 177.987 176.300 0.075 0.000 1.092 676 R CA 0.797 56.963 56.100 0.110 0.000 0.989 676 R CB -0.191 30.158 30.300 0.081 0.000 0.876 676 R HN 0.238 nan 8.270 nan 0.000 0.457 677 R N 0.341 120.875 120.500 0.057 0.000 2.317 677 R HA -0.014 3.317 4.340 -1.682 0.000 0.208 677 R C -0.173 176.152 176.300 0.041 0.000 0.914 677 R CA 0.101 56.222 56.100 0.034 0.000 1.060 677 R CB 0.132 30.438 30.300 0.009 0.000 1.015 677 R HN 0.045 nan 8.270 nan 0.000 0.498 678 D N 1.067 121.512 120.400 0.076 0.000 2.708 678 D HA -0.178 3.453 4.640 -1.682 0.000 0.236 678 D C -0.795 175.536 176.300 0.051 0.000 1.146 678 D CA 0.565 54.621 54.000 0.094 0.000 0.662 678 D CB -0.927 39.919 40.800 0.076 0.000 1.059 678 D HN 0.201 nan 8.370 nan 0.000 0.428 679 L N 0.152 121.374 121.223 -0.001 0.000 2.452 679 L HA 0.194 3.525 4.340 -1.682 0.000 0.267 679 L C 1.050 177.889 176.870 -0.052 0.000 1.188 679 L CA -0.425 54.389 54.840 -0.044 0.000 0.821 679 L CB 0.416 42.419 42.059 -0.095 0.000 1.102 679 L HN 0.109 nan 8.230 nan 0.000 0.470 680 D N 1.836 122.215 120.400 -0.035 0.000 2.346 680 D HA -0.015 3.616 4.640 -1.682 0.000 0.260 680 D C 0.677 176.905 176.300 -0.120 0.000 1.252 680 D CA -0.045 53.933 54.000 -0.036 0.000 0.895 680 D CB 0.913 41.716 40.800 0.005 0.000 1.097 680 D HN 0.362 nan 8.370 nan 0.000 0.489 681 I N 4.690 125.119 120.570 -0.234 0.000 2.394 681 I HA -0.219 2.942 4.170 -1.682 0.000 0.251 681 I C 1.697 177.650 176.117 -0.272 0.000 1.136 681 I CA 1.326 62.396 61.300 -0.384 0.000 1.425 681 I CB -0.208 37.475 38.000 -0.527 0.000 1.079 681 I HN 0.527 nan 8.210 nan 0.000 0.425 682 H N -0.684 118.349 119.070 -0.061 0.000 2.395 682 H HA 0.006 3.552 4.556 -1.684 0.000 0.299 682 H C 2.175 177.475 175.328 -0.046 0.000 1.070 682 H CA 1.754 57.755 56.048 -0.079 0.000 1.356 682 H CB -0.807 28.900 29.762 -0.091 0.000 1.401 682 H HN 0.282 nan 8.280 nan 0.000 0.524 683 T N 1.035 115.631 114.554 0.069 0.000 2.777 683 T HA -0.115 3.226 4.350 -1.682 0.000 0.266 683 T C 2.103 176.820 174.700 0.028 0.000 1.040 683 T CA 1.558 63.687 62.100 0.048 0.000 1.141 683 T CB 0.128 69.014 68.868 0.031 0.000 0.868 683 T HN 0.184 nan 8.240 nan 0.000 0.444 684 K N 1.335 121.732 120.400 -0.006 0.000 2.057 684 K HA -0.058 3.253 4.320 -1.682 0.000 0.207 684 K C 2.210 178.842 176.600 0.052 0.000 1.049 684 K CA 1.676 57.964 56.287 0.001 0.000 0.931 684 K CB -0.916 31.559 32.500 -0.041 0.000 0.714 684 K HN 0.192 nan 8.250 nan 0.000 0.440 685 T N 0.548 115.147 114.554 0.076 0.000 2.708 685 T HA -0.105 3.237 4.350 -1.682 0.000 0.266 685 T C 1.831 176.520 174.700 -0.019 0.000 1.037 685 T CA 1.497 63.673 62.100 0.127 0.000 1.146 685 T CB -0.620 68.320 68.868 0.119 0.000 0.865 685 T HN 0.410 nan 8.240 nan 0.000 0.435 686 A N 1.466 124.277 122.820 -0.016 0.000 1.917 686 A HA -0.173 3.138 4.320 -1.682 0.000 0.219 686 A C 2.342 179.962 177.584 0.059 0.000 1.182 686 A CA 1.937 53.983 52.037 0.016 0.000 0.633 686 A CB -0.789 18.324 19.000 0.188 0.000 0.819 686 A HN 0.484 nan 8.150 nan 0.000 0.448 687 M N -0.766 118.866 119.600 0.053 0.000 2.080 687 M HA -0.175 3.296 4.480 -1.682 0.000 0.260 687 M C 1.637 177.939 176.300 0.004 0.000 1.068 687 M CA 1.856 57.183 55.300 0.046 0.000 1.109 687 M CB -0.524 32.088 32.600 0.020 0.000 1.342 687 M HN 0.327 nan 8.290 nan 0.000 0.405 688 D N 0.503 120.876 120.400 -0.045 0.000 2.097 688 D HA -0.096 3.535 4.640 -1.682 0.000 0.197 688 D C 1.884 178.128 176.300 -0.093 0.000 0.984 688 D CA 1.440 55.383 54.000 -0.095 0.000 0.826 688 D CB -0.389 40.303 40.800 -0.180 0.000 0.973 688 D HN 0.542 nan 8.370 nan 0.000 0.460 689 I N -2.665 117.796 120.570 -0.181 0.000 2.500 689 I HA -0.062 3.099 4.170 -1.682 0.000 0.252 689 I C 1.335 177.331 176.117 -0.201 0.000 1.142 689 I CA 0.993 62.143 61.300 -0.250 0.000 1.451 689 I CB -0.284 37.407 38.000 -0.514 0.000 1.093 689 I HN -0.243 nan 8.210 nan 0.000 0.430 690 F N 1.622 121.572 119.950 0.001 0.000 2.776 690 F HA 0.272 3.807 4.527 -1.653 0.000 0.300 690 F C 0.817 176.653 175.800 0.061 0.000 1.116 690 F CA -0.405 57.622 58.000 0.045 0.000 1.375 690 F CB -0.651 38.328 39.000 -0.035 0.000 1.109 690 F HN 0.174 nan 8.300 nan 0.000 0.585 691 Q N 0.551 120.451 119.800 0.167 0.000 2.459 691 Q HA -0.123 3.208 4.340 -1.682 0.000 0.322 691 Q C -0.672 175.387 176.000 0.097 0.000 1.427 691 Q CA 0.455 56.320 55.803 0.102 0.000 0.861 691 Q CB -2.015 26.780 28.738 0.094 0.000 1.137 691 Q HN 0.327 nan 8.270 nan 0.000 0.394 692 V N -4.242 115.731 119.914 0.097 0.000 3.141 692 V HA 0.824 3.935 4.120 -1.682 0.000 0.312 692 V C 0.333 176.454 176.094 0.045 0.000 1.157 692 V CA -0.897 61.444 62.300 0.070 0.000 1.041 692 V CB 2.361 34.230 31.823 0.078 0.000 1.071 692 V HN 0.177 nan 8.190 nan 0.000 0.441 693 S N 0.148 115.865 115.700 0.029 0.000 2.632 693 S HA 0.229 3.691 4.470 -1.682 0.000 0.267 693 S C 1.056 175.668 174.600 0.020 0.000 1.276 693 S CA 0.371 58.581 58.200 0.018 0.000 0.998 693 S CB 1.196 64.402 63.200 0.010 0.000 0.953 693 S HN 1.049 nan 8.310 nan 0.000 0.547 694 E N 0.778 120.986 120.200 0.013 0.000 2.130 694 E HA -0.263 3.078 4.350 -1.682 0.000 0.196 694 E C 0.833 177.439 176.600 0.011 0.000 0.998 694 E CA 1.466 57.874 56.400 0.013 0.000 0.806 694 E CB -0.058 29.646 29.700 0.007 0.000 0.738 694 E HN 0.578 nan 8.360 nan 0.000 0.459 695 D N 0.189 120.594 120.400 0.007 0.000 2.219 695 D HA -0.151 3.480 4.640 -1.682 0.000 0.205 695 D C 1.210 177.510 176.300 0.001 0.000 0.970 695 D CA 1.278 55.280 54.000 0.003 0.000 0.851 695 D CB 0.031 40.832 40.800 0.001 0.000 0.943 695 D HN 0.545 nan 8.370 nan 0.000 0.488 696 E N -0.126 120.077 120.200 0.004 0.000 2.501 696 E HA 0.036 3.377 4.350 -1.682 0.000 0.201 696 E C 0.400 176.996 176.600 -0.007 0.000 1.016 696 E CA -0.171 56.227 56.400 -0.004 0.000 0.920 696 E CB 0.357 30.056 29.700 -0.003 0.000 1.023 696 E HN 0.057 nan 8.360 nan 0.000 0.474 697 V N 1.916 121.836 119.914 0.009 0.000 2.427 697 V HA 0.219 3.330 4.120 -1.682 0.000 0.268 697 V C 0.257 176.344 176.094 -0.012 0.000 1.046 697 V CA -0.079 62.228 62.300 0.010 0.000 0.970 697 V CB 0.665 32.524 31.823 0.061 0.000 1.001 697 V HN 0.318 nan 8.190 nan 0.000 0.476 698 T N 4.455 118.983 114.554 -0.043 0.000 2.816 698 T HA 0.470 3.811 4.350 -1.682 0.000 0.282 698 T C -1.606 173.073 174.700 -0.035 0.000 0.993 698 T CA -1.205 60.868 62.100 -0.045 0.000 0.994 698 T CB 1.054 69.880 68.868 -0.069 0.000 1.025 698 T HN 0.516 nan 8.240 nan 0.000 0.529 699 P HA -0.111 nan 4.420 nan 0.000 0.215 699 P C 1.673 178.953 177.300 -0.033 0.000 1.153 699 P CA 0.761 63.847 63.100 -0.024 0.000 0.853 699 P CB -0.043 31.642 31.700 -0.024 0.000 0.788 700 N N -0.787 117.884 118.700 -0.048 0.000 2.149 700 N HA -0.142 3.589 4.740 -1.682 0.000 0.188 700 N C 1.569 177.039 175.510 -0.067 0.000 1.019 700 N CA 1.395 54.410 53.050 -0.058 0.000 0.857 700 N CB -0.435 38.010 38.487 -0.070 0.000 0.997 700 N HN 0.142 nan 8.380 nan 0.000 0.426 701 M N 0.028 119.578 119.600 -0.083 0.000 2.156 701 M HA -0.061 3.410 4.480 -1.682 0.000 0.264 701 M C 2.352 178.697 176.300 0.076 0.000 1.067 701 M CA 1.031 56.296 55.300 -0.057 0.000 1.131 701 M CB -0.199 32.321 32.600 -0.133 0.000 1.368 701 M HN 0.055 nan 8.290 nan 0.000 0.416 702 R N 0.446 120.964 120.500 0.030 0.000 2.091 702 R HA -0.149 3.182 4.340 -1.682 0.000 0.238 702 R C 2.160 178.425 176.300 -0.058 0.000 1.136 702 R CA 1.649 57.761 56.100 0.020 0.000 0.959 702 R CB -0.098 30.216 30.300 0.023 0.000 0.856 702 R HN 0.329 nan 8.270 nan 0.000 0.437 703 R N -0.148 120.314 120.500 -0.063 0.000 2.120 703 R HA -0.175 3.156 4.340 -1.682 0.000 0.234 703 R C 2.372 178.597 176.300 -0.125 0.000 1.123 703 R CA 1.702 57.740 56.100 -0.103 0.000 0.975 703 R CB -0.166 30.099 30.300 -0.059 0.000 0.866 703 R HN 0.366 nan 8.270 nan 0.000 0.446 704 Q N -0.028 119.737 119.800 -0.059 0.000 2.083 704 Q HA -0.049 3.282 4.340 -1.682 0.000 0.198 704 Q C 2.015 177.943 176.000 -0.120 0.000 0.969 704 Q CA 1.513 57.294 55.803 -0.038 0.000 0.838 704 Q CB 0.022 28.820 28.738 0.100 0.000 0.900 704 Q HN 0.362 nan 8.270 nan 0.000 0.436 705 A N 0.621 123.381 122.820 -0.100 0.000 1.969 705 A HA -0.186 3.125 4.320 -1.682 0.000 0.218 705 A C 1.826 179.231 177.584 -0.299 0.000 1.169 705 A CA 1.315 53.245 52.037 -0.178 0.000 0.635 705 A CB -0.292 18.668 19.000 -0.066 0.000 0.810 705 A HN 0.238 nan 8.150 nan 0.000 0.445 706 K N -0.265 119.837 120.400 -0.497 0.000 2.032 706 K HA -0.128 3.183 4.320 -1.682 0.000 0.209 706 K C 2.338 178.383 176.600 -0.925 0.000 1.048 706 K CA 1.242 56.893 56.287 -1.060 0.000 0.927 706 K CB -0.360 31.520 32.500 -1.033 0.000 0.712 706 K HN 0.440 nan 8.250 nan 0.000 0.441 707 A N 1.007 123.557 122.820 -0.452 0.000 1.940 707 A HA -0.137 3.174 4.320 -1.682 0.000 0.219 707 A C 2.369 179.822 177.584 -0.218 0.000 1.176 707 A CA 1.522 53.425 52.037 -0.224 0.000 0.631 707 A CB -0.621 18.314 19.000 -0.109 0.000 0.814 707 A HN 0.090 nan 8.150 nan 0.000 0.446 708 V N 0.684 120.431 119.914 -0.279 0.000 2.307 708 V HA -0.220 2.891 4.120 -1.682 0.000 0.245 708 V C 2.320 178.186 176.094 -0.379 0.000 1.045 708 V CA 2.046 64.156 62.300 -0.317 0.000 1.024 708 V CB -0.903 30.711 31.823 -0.349 0.000 0.651 708 V HN 0.540 nan 8.190 nan 0.000 0.449 709 N N 0.004 118.502 118.700 -0.338 0.000 2.120 709 N HA -0.130 3.601 4.740 -1.682 0.000 0.188 709 N C 1.620 177.100 175.510 -0.050 0.000 1.024 709 N CA 1.481 54.402 53.050 -0.216 0.000 0.852 709 N CB -0.367 38.073 38.487 -0.077 0.000 1.003 709 N HN 0.405 nan 8.380 nan 0.000 0.424 710 F N 0.343 120.256 119.950 -0.062 0.000 2.206 710 F HA 0.137 3.660 4.527 -1.672 0.000 0.298 710 F C 2.491 178.255 175.800 -0.059 0.000 1.090 710 F CA 0.609 58.586 58.000 -0.039 0.000 1.323 710 F CB -1.158 37.819 39.000 -0.038 0.000 1.028 710 F HN 0.024 nan 8.300 nan 0.000 0.492 711 G N -0.024 108.819 108.800 0.072 0.000 2.408 711 G HA2 -0.058 2.893 3.960 -1.682 0.000 0.213 711 G HA3 -0.058 2.893 3.960 -1.682 0.000 0.213 711 G C 1.864 176.745 174.900 -0.033 0.000 1.177 711 G CA 0.374 45.483 45.100 0.015 0.000 0.802 711 G HN 0.259 nan 8.290 nan 0.000 0.533 712 I N 1.431 121.913 120.570 -0.147 0.000 2.142 712 I HA -0.189 2.972 4.170 -1.682 0.000 0.240 712 I C 2.997 179.124 176.117 0.018 0.000 1.078 712 I CA 1.483 62.688 61.300 -0.157 0.000 1.343 712 I CB -0.418 37.280 38.000 -0.503 0.000 1.046 712 I HN 0.160 nan 8.210 nan 0.000 0.405 713 V N -2.383 117.558 119.914 0.045 0.000 2.568 713 V HA -0.189 2.922 4.120 -1.682 0.000 0.253 713 V C 1.868 178.055 176.094 0.155 0.000 1.072 713 V CA 1.956 64.362 62.300 0.177 0.000 1.084 713 V CB -0.849 31.085 31.823 0.185 0.000 0.676 713 V HN 0.298 nan 8.190 nan 0.000 0.469 714 S N 0.274 116.032 115.700 0.097 0.000 2.577 714 S HA 0.494 3.955 4.470 -1.682 0.000 0.219 714 S C 1.460 176.086 174.600 0.043 0.000 0.962 714 S CA 0.617 58.862 58.200 0.074 0.000 0.921 714 S CB 0.366 63.602 63.200 0.060 0.000 0.789 714 S HN 1.377 nan 8.310 nan 0.000 0.497 715 G N 1.824 110.655 108.800 0.051 0.000 2.131 715 G HA2 -0.235 2.717 3.960 -1.682 0.000 0.223 715 G HA3 -0.235 2.717 3.960 -1.682 0.000 0.223 715 G C 0.154 175.062 174.900 0.013 0.000 0.990 715 G CA -0.174 44.944 45.100 0.029 0.000 0.671 715 G HN 0.534 nan 8.290 nan 0.000 0.521 716 I N 1.834 122.416 120.570 0.019 0.000 2.948 716 I HA 0.362 3.523 4.170 -1.682 0.000 0.290 716 I C 1.289 177.434 176.117 0.046 0.000 1.226 716 I CA 0.782 62.094 61.300 0.020 0.000 1.413 716 I CB 0.681 38.685 38.000 0.006 0.000 1.352 716 I HN 0.526 nan 8.210 nan 0.000 0.597 717 S N 3.446 119.189 115.700 0.073 0.000 2.745 717 S HA 0.271 3.732 4.470 -1.682 0.000 0.292 717 S C 0.681 175.344 174.600 0.105 0.000 1.133 717 S CA -0.143 58.122 58.200 0.108 0.000 0.998 717 S CB 1.464 64.756 63.200 0.153 0.000 1.087 717 S HN 0.727 nan 8.310 nan 0.000 0.551 718 D N 0.310 120.782 120.400 0.119 0.000 2.117 718 D HA -0.237 3.394 4.640 -1.682 0.000 0.197 718 D C 1.663 178.031 176.300 0.114 0.000 0.987 718 D CA 1.763 55.824 54.000 0.102 0.000 0.829 718 D CB -0.954 39.904 40.800 0.097 0.000 0.961 718 D HN 0.696 nan 8.370 nan 0.000 0.460 719 Y N 1.717 122.039 120.300 0.037 0.000 2.097 719 Y HA -0.111 3.430 4.550 -1.681 0.000 0.282 719 Y C 2.624 178.544 175.900 0.034 0.000 1.152 719 Y CA 2.609 60.730 58.100 0.034 0.000 1.136 719 Y CB -0.700 37.780 38.460 0.033 0.000 0.975 719 Y HN 0.016 nan 8.280 nan 0.000 0.498 720 G N 0.225 108.963 108.800 -0.103 0.000 2.422 720 G HA2 -0.243 2.708 3.960 -1.682 0.000 0.218 720 G HA3 -0.243 2.708 3.960 -1.682 0.000 0.218 720 G C 1.522 176.340 174.900 -0.137 0.000 1.140 720 G CA 0.933 45.907 45.100 -0.210 0.000 0.775 720 G HN 0.467 nan 8.290 nan 0.000 0.545 721 L N 1.167 122.357 121.223 -0.055 0.000 2.109 721 L HA 0.298 3.629 4.340 -1.682 0.000 0.207 721 L C 2.998 179.852 176.870 -0.026 0.000 1.086 721 L CA 1.788 56.611 54.840 -0.028 0.000 0.760 721 L CB -0.570 41.490 42.059 0.002 0.000 0.910 721 L HN 0.204 nan 8.230 nan 0.000 0.437 722 A N -1.126 121.669 122.820 -0.042 0.000 1.933 722 A HA -0.206 3.105 4.320 -1.682 0.000 0.218 722 A C 2.130 179.669 177.584 -0.075 0.000 1.175 722 A CA 1.538 53.557 52.037 -0.030 0.000 0.628 722 A CB -0.442 18.543 19.000 -0.026 0.000 0.814 722 A HN 0.585 nan 8.150 nan 0.000 0.444 723 Q N -0.212 119.480 119.800 -0.180 0.000 2.079 723 Q HA -0.133 3.198 4.340 -1.682 0.000 0.200 723 Q C 1.847 177.797 176.000 -0.082 0.000 0.974 723 Q CA 1.231 56.929 55.803 -0.175 0.000 0.840 723 Q CB -0.561 27.994 28.738 -0.306 0.000 0.898 723 Q HN 0.685 nan 8.270 nan 0.000 0.430 724 N N 0.617 119.275 118.700 -0.070 0.000 2.120 724 N HA -0.069 3.662 4.740 -1.682 0.000 0.188 724 N C 1.544 177.048 175.510 -0.009 0.000 1.024 724 N CA 0.860 53.892 53.050 -0.030 0.000 0.852 724 N CB 0.133 38.604 38.487 -0.026 0.000 1.003 724 N HN 0.224 nan 8.380 nan 0.000 0.424 725 L N 0.512 121.738 121.223 0.006 0.000 2.640 725 L HA 0.161 3.492 4.340 -1.682 0.000 0.230 725 L C -0.296 176.599 176.870 0.042 0.000 1.123 725 L CA -0.108 54.753 54.840 0.035 0.000 0.900 725 L CB -0.104 42.004 42.059 0.082 0.000 1.146 725 L HN 0.021 nan 8.230 nan 0.000 0.484 726 N N 2.021 120.734 118.700 0.021 0.000 2.688 726 N HA -0.192 3.539 4.740 -1.682 0.000 0.258 726 N C -0.474 175.061 175.510 0.042 0.000 1.016 726 N CA 1.266 54.329 53.050 0.023 0.000 0.747 726 N CB -1.443 37.058 38.487 0.023 0.000 0.895 726 N HN 0.582 nan 8.380 nan 0.000 0.543 727 I N -4.394 116.206 120.570 0.051 0.000 3.343 727 I HA 0.631 3.792 4.170 -1.682 0.000 0.315 727 I C 0.638 176.779 176.117 0.040 0.000 1.153 727 I CA -1.195 60.144 61.300 0.064 0.000 0.952 727 I CB 1.846 39.920 38.000 0.124 0.000 1.287 727 I HN 0.046 nan 8.210 nan 0.000 0.472 728 S N 0.964 116.684 115.700 0.033 0.000 2.603 728 S HA 0.358 3.820 4.470 -1.682 0.000 0.268 728 S C 0.917 175.532 174.600 0.026 0.000 1.317 728 S CA -0.407 57.808 58.200 0.025 0.000 1.012 728 S CB 1.451 64.660 63.200 0.015 0.000 0.926 728 S HN 0.797 nan 8.310 nan 0.000 0.539 729 R N 1.232 121.755 120.500 0.039 0.000 2.096 729 R HA -0.138 3.193 4.340 -1.682 0.000 0.240 729 R C 2.253 178.570 176.300 0.028 0.000 1.139 729 R CA 2.201 58.333 56.100 0.052 0.000 0.952 729 R CB -0.435 29.915 30.300 0.082 0.000 0.854 729 R HN 0.736 nan 8.270 nan 0.000 0.436 730 K N 0.255 120.662 120.400 0.012 0.000 2.097 730 K HA -0.164 3.147 4.320 -1.682 0.000 0.206 730 K C 1.981 178.545 176.600 -0.060 0.000 1.049 730 K CA 1.555 57.835 56.287 -0.013 0.000 0.933 730 K CB -0.051 32.441 32.500 -0.013 0.000 0.717 730 K HN 0.318 nan 8.250 nan 0.000 0.442 731 E N 0.638 120.794 120.200 -0.073 0.000 2.077 731 E HA -0.182 3.159 4.350 -1.682 0.000 0.193 731 E C 2.095 178.559 176.600 -0.226 0.000 0.989 731 E CA 1.119 57.414 56.400 -0.175 0.000 0.800 731 E CB -0.120 29.522 29.700 -0.097 0.000 0.746 731 E HN 0.357 nan 8.360 nan 0.000 0.452 732 A N 1.439 124.240 122.820 -0.032 0.000 1.929 732 A HA 0.009 3.320 4.320 -1.682 0.000 0.216 732 A C 2.386 179.996 177.584 0.043 0.000 1.176 732 A CA 1.320 53.403 52.037 0.077 0.000 0.628 732 A CB -0.465 18.589 19.000 0.089 0.000 0.816 732 A HN 0.272 nan 8.150 nan 0.000 0.444 733 A N 0.034 122.859 122.820 0.008 0.000 1.940 733 A HA -0.190 3.121 4.320 -1.682 0.000 0.219 733 A C 1.878 179.464 177.584 0.003 0.000 1.176 733 A CA 1.858 53.910 52.037 0.026 0.000 0.631 733 A CB -0.491 18.525 19.000 0.026 0.000 0.814 733 A HN 0.601 nan 8.150 nan 0.000 0.446 734 E N -0.933 119.212 120.200 -0.092 0.000 2.072 734 E HA -0.119 3.223 4.350 -1.682 0.000 0.191 734 E C 1.634 178.195 176.600 -0.065 0.000 0.985 734 E CA 1.307 57.631 56.400 -0.128 0.000 0.801 734 E CB -0.310 29.238 29.700 -0.253 0.000 0.750 734 E HN 0.769 nan 8.360 nan 0.000 0.452 735 F N 0.407 120.360 119.950 0.004 0.000 2.146 735 F HA -0.153 3.362 4.527 -1.686 0.000 0.298 735 F C 2.173 177.945 175.800 -0.046 0.000 1.096 735 F CA 0.420 58.397 58.000 -0.038 0.000 1.275 735 F CB -0.105 38.854 39.000 -0.068 0.000 1.008 735 F HN 0.002 nan 8.300 nan 0.000 0.480 736 I N 0.141 120.786 120.570 0.124 0.000 2.226 736 I HA -0.294 2.867 4.170 -1.682 0.000 0.245 736 I C 2.470 178.611 176.117 0.040 0.000 1.100 736 I CA 1.552 62.844 61.300 -0.013 0.000 1.374 736 I CB -0.472 37.530 38.000 0.003 0.000 1.057 736 I HN 0.202 nan 8.210 nan 0.000 0.413 737 E N 1.234 121.516 120.200 0.136 0.000 2.058 737 E HA -0.292 3.049 4.350 -1.682 0.000 0.194 737 E C 2.382 179.077 176.600 0.159 0.000 0.997 737 E CA 1.329 57.845 56.400 0.193 0.000 0.801 737 E CB -0.037 29.741 29.700 0.130 0.000 0.746 737 E HN 0.254 nan 8.360 nan 0.000 0.450 738 R N -0.810 119.760 120.500 0.117 0.000 2.096 738 R HA -0.198 3.133 4.340 -1.682 0.000 0.235 738 R C 2.296 178.631 176.300 0.059 0.000 1.127 738 R CA 1.525 57.675 56.100 0.083 0.000 0.968 738 R CB -0.384 29.977 30.300 0.102 0.000 0.861 738 R HN 0.323 nan 8.270 nan 0.000 0.440 739 Y N 0.040 120.310 120.300 -0.050 0.000 2.128 739 Y HA -0.250 3.353 4.550 -1.579 0.000 0.284 739 Y C 1.558 177.471 175.900 0.022 0.000 1.154 739 Y CA 1.837 59.900 58.100 -0.062 0.000 1.149 739 Y CB -0.315 38.014 38.460 -0.218 0.000 0.976 739 Y HN -0.006 nan 8.280 nan 0.000 0.505 740 F N 0.758 120.819 119.950 0.185 0.000 2.293 740 F HA -0.090 3.427 4.527 -1.683 0.000 0.300 740 F C 2.249 178.033 175.800 -0.027 0.000 1.086 740 F CA 1.419 59.474 58.000 0.091 0.000 1.375 740 F CB -0.764 38.326 39.000 0.150 0.000 1.045 740 F HN 0.159 nan 8.300 nan 0.000 0.516 741 E N -0.443 119.830 120.200 0.122 0.000 2.106 741 E HA -0.141 3.200 4.350 -1.682 0.000 0.192 741 E C 2.238 178.754 176.600 -0.140 0.000 0.984 741 E CA 1.479 57.881 56.400 0.003 0.000 0.806 741 E CB -0.181 29.520 29.700 0.001 0.000 0.750 741 E HN 0.250 nan 8.360 nan 0.000 0.458 742 S N 0.008 115.526 115.700 -0.304 0.000 2.395 742 S HA 0.010 3.471 4.470 -1.682 0.000 0.225 742 S C 0.559 174.630 174.600 -0.881 0.000 1.027 742 S CA 0.669 58.466 58.200 -0.672 0.000 0.965 742 S CB 0.126 62.747 63.200 -0.966 0.000 0.812 742 S HN 0.141 nan 8.310 nan 0.000 0.482 743 F N 1.411 121.205 119.950 -0.259 0.000 2.523 743 F HA 0.351 4.776 4.527 -0.171 0.000 0.322 743 F C -1.991 173.788 175.800 -0.034 0.000 1.361 743 F CA -2.096 55.771 58.000 -0.220 0.000 1.151 743 F CB 1.214 39.935 39.000 -0.465 0.000 1.391 743 F HN -0.006 nan 8.300 nan 0.000 0.566 744 P HA -0.151 nan 4.420 nan 0.000 0.216 744 P C 1.874 179.248 177.300 0.123 0.000 1.150 744 P CA 1.545 64.711 63.100 0.110 0.000 0.837 744 P CB 0.211 31.935 31.700 0.041 0.000 0.786 745 G N 0.100 108.973 108.800 0.122 0.000 2.462 745 G HA2 -0.197 2.754 3.960 -1.682 0.000 0.220 745 G HA3 -0.197 2.754 3.960 -1.682 0.000 0.220 745 G C 1.685 176.694 174.900 0.182 0.000 1.121 745 G CA 0.561 45.734 45.100 0.123 0.000 0.758 745 G HN 0.191 nan 8.290 nan 0.000 0.559 746 V N 0.463 120.522 119.914 0.243 0.000 2.379 746 V HA -0.105 3.006 4.120 -1.682 0.000 0.245 746 V C 2.650 178.973 176.094 0.382 0.000 1.044 746 V CA 2.131 64.633 62.300 0.337 0.000 1.036 746 V CB -0.317 31.735 31.823 0.383 0.000 0.664 746 V HN 0.417 nan 8.190 nan 0.000 0.453 747 K N 0.298 120.880 120.400 0.303 0.000 2.063 747 K HA -0.251 3.060 4.320 -1.682 0.000 0.208 747 K C 2.376 178.949 176.600 -0.044 0.000 1.048 747 K CA 1.907 58.149 56.287 -0.075 0.000 0.928 747 K CB -0.149 32.120 32.500 -0.385 0.000 0.713 747 K HN 0.296 nan 8.250 nan 0.000 0.442 748 R N -0.454 120.064 120.500 0.031 0.000 2.096 748 R HA -0.205 3.126 4.340 -1.682 0.000 0.235 748 R C 2.309 178.639 176.300 0.050 0.000 1.127 748 R CA 1.667 57.779 56.100 0.020 0.000 0.968 748 R CB -0.519 29.804 30.300 0.039 0.000 0.861 748 R HN 0.351 nan 8.270 nan 0.000 0.440 749 Y N 0.750 121.065 120.300 0.024 0.000 2.097 749 Y HA -0.244 3.296 4.550 -1.683 0.000 0.282 749 Y C 1.962 177.878 175.900 0.027 0.000 1.152 749 Y CA 2.214 60.332 58.100 0.031 0.000 1.136 749 Y CB -0.287 38.207 38.460 0.057 0.000 0.975 749 Y HN 0.031 nan 8.280 nan 0.000 0.498 750 M N 0.168 119.684 119.600 -0.140 0.000 2.108 750 M HA -0.240 3.231 4.480 -1.682 0.000 0.261 750 M C 2.050 178.210 176.300 -0.234 0.000 1.066 750 M CA 2.198 57.361 55.300 -0.228 0.000 1.107 750 M CB -0.348 32.266 32.600 0.023 0.000 1.356 750 M HN 0.353 nan 8.290 nan 0.000 0.406 751 E N 0.104 120.206 120.200 -0.164 0.000 2.028 751 E HA -0.156 3.185 4.350 -1.682 0.000 0.191 751 E C 1.808 178.322 176.600 -0.143 0.000 0.988 751 E CA 1.076 57.395 56.400 -0.135 0.000 0.799 751 E CB -0.181 29.455 29.700 -0.108 0.000 0.755 751 E HN 0.474 nan 8.360 nan 0.000 0.447 752 N N 0.926 119.539 118.700 -0.145 0.000 2.120 752 N HA -0.143 3.588 4.740 -1.682 0.000 0.188 752 N C 1.819 177.229 175.510 -0.166 0.000 1.024 752 N CA 0.717 53.694 53.050 -0.122 0.000 0.852 752 N CB -0.221 38.225 38.487 -0.069 0.000 1.003 752 N HN 0.102 nan 8.380 nan 0.000 0.424 753 I N 0.626 121.017 120.570 -0.299 0.000 2.439 753 I HA -0.113 3.048 4.170 -1.682 0.000 0.251 753 I C 1.800 177.795 176.117 -0.203 0.000 1.139 753 I CA 0.686 61.811 61.300 -0.290 0.000 1.438 753 I CB -0.173 37.498 38.000 -0.547 0.000 1.085 753 I HN -0.159 nan 8.210 nan 0.000 0.427 754 V N 0.459 120.254 119.914 -0.198 0.000 2.358 754 V HA -0.309 2.802 4.120 -1.682 0.000 0.246 754 V C 2.466 178.501 176.094 -0.099 0.000 1.047 754 V CA 2.130 64.353 62.300 -0.127 0.000 1.035 754 V CB -0.896 30.860 31.823 -0.111 0.000 0.658 754 V HN 0.574 nan 8.190 nan 0.000 0.452 755 Q N 0.198 119.938 119.800 -0.099 0.000 2.096 755 Q HA -0.295 3.036 4.340 -1.682 0.000 0.204 755 Q C 2.323 178.273 176.000 -0.083 0.000 0.982 755 Q CA 2.335 58.092 55.803 -0.077 0.000 0.850 755 Q CB -0.211 28.485 28.738 -0.070 0.000 0.901 755 Q HN 0.768 nan 8.270 nan 0.000 0.422 756 E N -0.453 119.686 120.200 -0.101 0.000 2.077 756 E HA -0.207 3.135 4.350 -1.682 0.000 0.193 756 E C 1.833 178.342 176.600 -0.152 0.000 0.989 756 E CA 1.001 57.330 56.400 -0.119 0.000 0.800 756 E CB -0.186 29.444 29.700 -0.117 0.000 0.746 756 E HN 0.489 nan 8.360 nan 0.000 0.452 757 A N 1.154 123.893 122.820 -0.135 0.000 1.933 757 A HA -0.199 3.112 4.320 -1.682 0.000 0.218 757 A C 2.030 179.563 177.584 -0.085 0.000 1.175 757 A CA 1.664 53.626 52.037 -0.125 0.000 0.628 757 A CB -0.321 18.632 19.000 -0.079 0.000 0.814 757 A HN 0.152 nan 8.150 nan 0.000 0.444 758 K N -0.824 119.536 120.400 -0.066 0.000 2.097 758 K HA -0.140 3.171 4.320 -1.682 0.000 0.205 758 K C 2.430 179.006 176.600 -0.040 0.000 1.050 758 K CA 1.314 57.578 56.287 -0.039 0.000 0.938 758 K CB -0.108 32.371 32.500 -0.033 0.000 0.718 758 K HN 0.562 nan 8.250 nan 0.000 0.442 759 Q N 1.368 121.130 119.800 -0.064 0.000 2.049 759 Q HA -0.138 3.193 4.340 -1.682 0.000 0.198 759 Q C 1.458 177.418 176.000 -0.068 0.000 0.971 759 Q CA 1.674 57.442 55.803 -0.058 0.000 0.833 759 Q CB 0.237 28.937 28.738 -0.064 0.000 0.896 759 Q HN 0.204 nan 8.270 nan 0.000 0.434 760 K N -1.575 118.736 120.400 -0.149 0.000 2.284 760 K HA 0.094 3.405 4.320 -1.682 0.000 0.198 760 K C 1.040 177.589 176.600 -0.085 0.000 1.048 760 K CA 0.624 56.779 56.287 -0.220 0.000 0.987 760 K CB 0.465 32.597 32.500 -0.614 0.000 0.800 760 K HN 0.430 nan 8.250 nan 0.000 0.486 761 G N 0.827 109.599 108.800 -0.047 0.000 2.176 761 G HA2 -0.254 2.697 3.960 -1.682 0.000 0.232 761 G HA3 -0.254 2.697 3.960 -1.682 0.000 0.232 761 G C -0.250 174.816 174.900 0.278 0.000 0.986 761 G CA 0.437 45.636 45.100 0.164 0.000 0.643 761 G HN 0.375 nan 8.290 nan 0.000 0.522 762 Y N -2.270 118.041 120.300 0.018 0.000 2.713 762 Y HA 0.710 4.251 4.550 -1.681 0.000 0.335 762 Y C -0.366 175.476 175.900 -0.096 0.000 1.222 762 Y CA -1.234 56.797 58.100 -0.115 0.000 1.061 762 Y CB 0.805 39.002 38.460 -0.438 0.000 1.314 762 Y HN 0.996 nan 8.280 nan 0.000 0.453 763 V N -0.730 119.224 119.914 0.066 0.000 3.046 763 V HA 1.005 4.116 4.120 -1.682 0.000 0.316 763 V C -0.385 175.789 176.094 0.133 0.000 1.104 763 V CA -0.210 62.112 62.300 0.036 0.000 1.006 763 V CB 1.335 33.167 31.823 0.016 0.000 1.058 763 V HN 1.376 nan 8.190 nan 0.000 0.440 764 T N -0.722 113.900 114.554 0.113 0.000 2.916 764 T HA 0.819 4.160 4.350 -1.682 0.000 0.292 764 T C -0.050 174.692 174.700 0.070 0.000 1.064 764 T CA 0.013 62.182 62.100 0.115 0.000 1.011 764 T CB 1.735 70.715 68.868 0.188 0.000 1.152 764 T HN 1.473 nan 8.240 nan 0.000 0.510 765 T N -0.422 114.153 114.554 0.035 0.000 2.937 765 T HA 0.499 3.840 4.350 -1.682 0.000 0.283 765 T C 1.239 175.901 174.700 -0.065 0.000 1.012 765 T CA -0.875 61.221 62.100 -0.006 0.000 0.997 765 T CB 0.973 69.826 68.868 -0.026 0.000 1.136 765 T HN 0.459 nan 8.240 nan 0.000 0.551 766 L N 0.151 121.319 121.223 -0.092 0.000 2.051 766 L HA 0.037 3.368 4.340 -1.682 0.000 0.214 766 L C 1.783 178.452 176.870 -0.335 0.000 1.076 766 L CA 1.828 56.573 54.840 -0.158 0.000 0.758 766 L CB -0.810 41.163 42.059 -0.144 0.000 0.890 766 L HN 0.701 nan 8.230 nan 0.000 0.433 767 L N -0.987 120.068 121.223 -0.281 0.000 2.791 767 L HA 0.160 3.491 4.340 -1.682 0.000 0.239 767 L C 0.130 176.850 176.870 -0.249 0.000 1.203 767 L CA -0.183 54.461 54.840 -0.327 0.000 1.002 767 L CB -0.421 41.560 42.059 -0.130 0.000 1.295 767 L HN 0.406 nan 8.230 nan 0.000 0.504 768 H N -1.534 117.537 119.070 0.001 0.000 3.151 768 H HA -0.145 3.402 4.556 -1.681 0.000 0.230 768 H C 0.932 176.243 175.328 -0.030 0.000 1.186 768 H CA 0.350 56.397 56.048 -0.002 0.000 1.124 768 H CB -1.128 28.634 29.762 0.000 0.000 1.208 768 H HN 0.426 nan 8.280 nan 0.000 0.318 769 R N 1.730 122.247 120.500 0.029 0.000 2.734 769 R HA 0.286 3.617 4.340 -1.682 0.000 0.266 769 R C 0.773 177.046 176.300 -0.046 0.000 1.044 769 R CA 0.174 56.257 56.100 -0.027 0.000 1.128 769 R CB 0.677 30.950 30.300 -0.044 0.000 1.010 769 R HN 0.475 nan 8.270 nan 0.000 0.461 770 R N 1.835 122.260 120.500 -0.125 0.000 2.837 770 R HA 0.498 3.829 4.340 -1.682 0.000 0.271 770 R C -1.251 174.923 176.300 -0.210 0.000 0.993 770 R CA -1.107 54.884 56.100 -0.180 0.000 0.931 770 R CB 1.653 31.724 30.300 -0.382 0.000 1.206 770 R HN 0.517 nan 8.270 nan 0.000 0.474 771 R N 2.224 122.616 120.500 -0.181 0.000 2.502 771 R HA 0.269 3.600 4.340 -1.682 0.000 0.298 771 R C -1.428 174.802 176.300 -0.117 0.000 1.018 771 R CA -0.643 55.388 56.100 -0.115 0.000 0.899 771 R CB 1.197 31.486 30.300 -0.019 0.000 1.181 771 R HN 0.693 nan 8.270 nan 0.000 0.444 772 Y N 4.036 124.382 120.300 0.078 0.000 2.346 772 Y HA 0.206 3.748 4.550 -1.680 0.000 0.330 772 Y C 0.520 176.471 175.900 0.086 0.000 1.178 772 Y CA -0.095 58.071 58.100 0.111 0.000 1.331 772 Y CB 0.974 39.474 38.460 0.067 0.000 1.253 772 Y HN 0.399 nan 8.280 nan 0.000 0.529 773 L N 5.996 127.362 121.223 0.238 0.000 2.594 773 L HA 0.245 3.576 4.340 -1.682 0.000 0.245 773 L C -1.835 175.106 176.870 0.118 0.000 1.460 773 L CA -1.369 53.555 54.840 0.140 0.000 0.865 773 L CB 1.064 43.176 42.059 0.087 0.000 1.131 773 L HN 0.505 nan 8.230 nan 0.000 0.506 774 P HA -0.140 nan 4.420 nan 0.000 0.220 774 P C 0.557 177.890 177.300 0.056 0.000 1.148 774 P CA 1.078 64.226 63.100 0.080 0.000 0.803 774 P CB 0.420 32.157 31.700 0.061 0.000 0.782 775 D N -0.523 119.910 120.400 0.054 0.000 2.348 775 D HA -0.033 3.598 4.640 -1.682 0.000 0.216 775 D C 1.764 178.085 176.300 0.034 0.000 0.970 775 D CA 0.319 54.344 54.000 0.041 0.000 0.889 775 D CB -0.653 40.172 40.800 0.042 0.000 0.912 775 D HN 0.234 nan 8.370 nan 0.000 0.524 776 I N 0.680 121.271 120.570 0.035 0.000 3.001 776 I HA -0.150 3.011 4.170 -1.682 0.000 0.268 776 I C 0.912 177.036 176.117 0.011 0.000 1.267 776 I CA 1.002 62.311 61.300 0.016 0.000 1.472 776 I CB 0.155 38.161 38.000 0.011 0.000 1.089 776 I HN -0.039 nan 8.210 nan 0.000 0.468 777 T N -3.229 111.338 114.554 0.021 0.000 3.266 777 T HA 0.196 3.537 4.350 -1.682 0.000 0.278 777 T C 0.510 175.225 174.700 0.024 0.000 1.010 777 T CA -0.360 61.752 62.100 0.020 0.000 0.909 777 T CB -0.107 68.774 68.868 0.022 0.000 1.122 777 T HN 0.117 nan 8.240 nan 0.000 0.536 778 S N 0.798 116.513 115.700 0.025 0.000 2.549 778 S HA 0.300 3.761 4.470 -1.682 0.000 0.279 778 S C 1.249 175.872 174.600 0.039 0.000 1.321 778 S CA -0.645 57.573 58.200 0.030 0.000 1.054 778 S CB 0.762 63.980 63.200 0.030 0.000 0.899 778 S HN 0.419 nan 8.310 nan 0.000 0.497 779 R N 2.547 123.072 120.500 0.042 0.000 2.316 779 R HA 0.133 3.464 4.340 -1.682 0.000 0.202 779 R C 0.542 176.887 176.300 0.075 0.000 1.029 779 R CA 0.292 56.423 56.100 0.053 0.000 1.018 779 R CB -0.169 30.156 30.300 0.042 0.000 0.888 779 R HN 0.523 nan 8.270 nan 0.000 0.471 780 N N 0.365 119.109 118.700 0.075 0.000 2.422 780 N HA -0.065 3.666 4.740 -1.682 0.000 0.264 780 N C 0.330 175.923 175.510 0.138 0.000 1.063 780 N CA -0.071 53.041 53.050 0.104 0.000 0.959 780 N CB 0.546 39.080 38.487 0.077 0.000 1.087 780 N HN -0.038 nan 8.380 nan 0.000 0.483 781 F N 5.333 125.311 119.950 0.047 0.000 2.069 781 F HA -0.156 3.362 4.527 -1.683 0.000 0.298 781 F C 1.595 177.446 175.800 0.084 0.000 1.113 781 F CA 1.730 59.761 58.000 0.051 0.000 1.214 781 F CB -0.165 38.856 39.000 0.035 0.000 0.978 781 F HN 0.609 nan 8.300 nan 0.000 0.474 782 N N -0.290 118.539 118.700 0.215 0.000 2.120 782 N HA -0.184 3.547 4.740 -1.682 0.000 0.188 782 N C 1.836 177.485 175.510 0.231 0.000 1.024 782 N CA 1.534 54.692 53.050 0.179 0.000 0.852 782 N CB -0.219 38.454 38.487 0.311 0.000 1.003 782 N HN 0.159 nan 8.380 nan 0.000 0.424 783 V N 1.214 121.217 119.914 0.148 0.000 2.287 783 V HA -0.247 2.864 4.120 -1.682 0.000 0.248 783 V C 2.355 178.509 176.094 0.099 0.000 1.053 783 V CA 1.599 63.962 62.300 0.106 0.000 1.027 783 V CB -0.521 31.325 31.823 0.038 0.000 0.646 783 V HN 0.330 nan 8.190 nan 0.000 0.447 784 R N -0.104 120.400 120.500 0.007 0.000 2.096 784 R HA -0.148 3.183 4.340 -1.682 0.000 0.235 784 R C 2.461 178.700 176.300 -0.101 0.000 1.127 784 R CA 1.800 57.874 56.100 -0.043 0.000 0.968 784 R CB -0.269 29.988 30.300 -0.072 0.000 0.861 784 R HN 0.523 nan 8.270 nan 0.000 0.440 785 S N 0.328 115.881 115.700 -0.245 0.000 2.368 785 S HA -0.125 3.336 4.470 -1.682 0.000 0.225 785 S C 1.540 176.040 174.600 -0.167 0.000 1.030 785 S CA 1.385 59.388 58.200 -0.328 0.000 0.999 785 S CB -0.321 62.538 63.200 -0.568 0.000 0.844 785 S HN 0.294 nan 8.310 nan 0.000 0.459 786 F N 1.847 121.731 119.950 -0.111 0.000 2.126 786 F HA -0.141 3.378 4.527 -1.679 0.000 0.299 786 F C 2.576 178.356 175.800 -0.034 0.000 1.096 786 F CA 0.966 58.937 58.000 -0.047 0.000 1.255 786 F CB -0.593 38.393 39.000 -0.024 0.000 0.997 786 F HN 0.189 nan 8.300 nan 0.000 0.479 787 A N -0.127 122.778 122.820 0.141 0.000 1.930 787 A HA -0.186 3.125 4.320 -1.682 0.000 0.217 787 A C 2.061 179.660 177.584 0.026 0.000 1.175 787 A CA 1.699 53.783 52.037 0.077 0.000 0.627 787 A CB -0.712 18.322 19.000 0.056 0.000 0.815 787 A HN 0.435 nan 8.150 nan 0.000 0.443 788 E N -0.379 119.811 120.200 -0.017 0.000 2.110 788 E HA -0.191 3.151 4.350 -1.682 0.000 0.193 788 E C 2.291 178.874 176.600 -0.029 0.000 0.988 788 E CA 1.109 57.484 56.400 -0.041 0.000 0.804 788 E CB -0.177 29.479 29.700 -0.072 0.000 0.745 788 E HN 0.547 nan 8.360 nan 0.000 0.458 789 R N 0.186 120.668 120.500 -0.030 0.000 2.092 789 R HA -0.048 3.284 4.340 -1.682 0.000 0.231 789 R C 2.387 178.702 176.300 0.026 0.000 1.119 789 R CA 1.246 57.339 56.100 -0.012 0.000 0.970 789 R CB -0.220 30.049 30.300 -0.052 0.000 0.864 789 R HN 0.213 nan 8.270 nan 0.000 0.440 790 M N 0.214 119.841 119.600 0.043 0.000 2.117 790 M HA -0.121 3.350 4.480 -1.682 0.000 0.262 790 M C 2.554 178.881 176.300 0.045 0.000 1.065 790 M CA 1.742 57.076 55.300 0.057 0.000 1.114 790 M CB -0.361 32.283 32.600 0.073 0.000 1.361 790 M HN 0.223 nan 8.290 nan 0.000 0.408 791 A N 0.278 123.112 122.820 0.023 0.000 1.933 791 A HA -0.160 3.151 4.320 -1.682 0.000 0.218 791 A C 2.115 179.702 177.584 0.006 0.000 1.175 791 A CA 1.668 53.706 52.037 0.001 0.000 0.628 791 A CB -0.576 18.402 19.000 -0.036 0.000 0.814 791 A HN 0.489 nan 8.150 nan 0.000 0.444 792 M N -0.962 118.646 119.600 0.013 0.000 2.236 792 M HA -0.058 3.413 4.480 -1.682 0.000 0.266 792 M C 2.174 178.597 176.300 0.204 0.000 1.070 792 M CA 1.345 56.686 55.300 0.069 0.000 1.137 792 M CB -0.343 32.293 32.600 0.060 0.000 1.378 792 M HN 0.613 nan 8.290 nan 0.000 0.426 793 N N -0.167 118.608 118.700 0.125 0.000 2.250 793 N HA -0.100 3.631 4.740 -1.682 0.000 0.181 793 N C 1.363 176.928 175.510 0.091 0.000 1.017 793 N CA 1.446 54.561 53.050 0.109 0.000 0.866 793 N CB 0.128 38.657 38.487 0.070 0.000 0.985 793 N HN 0.187 nan 8.380 nan 0.000 0.429 794 T N 1.617 116.219 114.554 0.080 0.000 2.746 794 T HA -0.031 3.310 4.350 -1.682 0.000 0.267 794 T C -1.050 173.685 174.700 0.059 0.000 1.039 794 T CA 1.140 63.275 62.100 0.058 0.000 1.142 794 T CB -0.917 67.979 68.868 0.048 0.000 0.866 794 T HN 0.394 nan 8.240 nan 0.000 0.444 795 P HA 0.083 nan 4.420 nan 0.000 0.220 795 P C 1.194 178.521 177.300 0.046 0.000 1.148 795 P CA 0.787 63.940 63.100 0.087 0.000 0.803 795 P CB -0.094 31.709 31.700 0.173 0.000 0.782 796 I N -1.062 119.536 120.570 0.048 0.000 2.270 796 I HA -0.164 2.997 4.170 -1.682 0.000 0.239 796 I C 2.670 178.778 176.117 -0.014 0.000 1.080 796 I CA 1.110 62.407 61.300 -0.005 0.000 1.383 796 I CB -0.676 37.325 38.000 0.001 0.000 1.097 796 I HN -0.093 nan 8.210 nan 0.000 0.420 797 Q N 1.150 120.952 119.800 0.003 0.000 2.124 797 Q HA -0.167 3.164 4.340 -1.682 0.000 0.202 797 Q C 2.140 178.136 176.000 -0.007 0.000 0.977 797 Q CA 1.908 57.705 55.803 -0.010 0.000 0.850 797 Q CB -0.196 28.536 28.738 -0.009 0.000 0.901 797 Q HN 0.570 nan 8.270 nan 0.000 0.429 798 G N -0.611 108.191 108.800 0.002 0.000 2.403 798 G HA2 -0.156 2.795 3.960 -1.682 0.000 0.216 798 G HA3 -0.156 2.795 3.960 -1.682 0.000 0.216 798 G C 1.435 176.324 174.900 -0.019 0.000 1.154 798 G CA 0.695 45.796 45.100 0.002 0.000 0.784 798 G HN 0.309 nan 8.290 nan 0.000 0.538 799 S N 1.002 116.681 115.700 -0.035 0.000 2.383 799 S HA 0.046 3.507 4.470 -1.682 0.000 0.227 799 S C 2.770 177.312 174.600 -0.097 0.000 1.026 799 S CA 1.012 59.171 58.200 -0.069 0.000 0.981 799 S CB -0.260 62.894 63.200 -0.077 0.000 0.818 799 S HN 0.546 nan 8.310 nan 0.000 0.472 800 A N 1.638 124.404 122.820 -0.091 0.000 1.933 800 A HA 0.076 3.387 4.320 -1.682 0.000 0.218 800 A C 2.338 179.884 177.584 -0.063 0.000 1.175 800 A CA 1.702 53.670 52.037 -0.114 0.000 0.628 800 A CB -1.027 17.923 19.000 -0.082 0.000 0.814 800 A HN 0.510 nan 8.150 nan 0.000 0.444 801 A N 0.063 122.874 122.820 -0.015 0.000 1.902 801 A HA -0.176 3.135 4.320 -1.682 0.000 0.217 801 A C 1.774 179.363 177.584 0.007 0.000 1.181 801 A CA 1.866 53.919 52.037 0.026 0.000 0.623 801 A CB -0.583 18.450 19.000 0.054 0.000 0.818 801 A HN 0.459 nan 8.150 nan 0.000 0.443 802 D N 0.143 120.531 120.400 -0.021 0.000 2.104 802 D HA -0.140 3.491 4.640 -1.682 0.000 0.194 802 D C 1.849 178.123 176.300 -0.044 0.000 0.994 802 D CA 1.316 55.297 54.000 -0.032 0.000 0.830 802 D CB -0.393 40.371 40.800 -0.061 0.000 0.959 802 D HN 0.528 nan 8.370 nan 0.000 0.452 803 I N 0.669 121.188 120.570 -0.085 0.000 2.179 803 I HA -0.221 2.940 4.170 -1.682 0.000 0.242 803 I C 2.556 178.662 176.117 -0.018 0.000 1.088 803 I CA 0.730 61.965 61.300 -0.110 0.000 1.357 803 I CB -0.105 37.742 38.000 -0.255 0.000 1.051 803 I HN -0.038 nan 8.210 nan 0.000 0.409 804 I N 0.680 121.268 120.570 0.029 0.000 2.394 804 I HA -0.285 2.876 4.170 -1.682 0.000 0.251 804 I C 2.436 178.599 176.117 0.076 0.000 1.136 804 I CA 1.494 62.894 61.300 0.166 0.000 1.425 804 I CB -0.102 38.026 38.000 0.215 0.000 1.079 804 I HN 0.146 nan 8.210 nan 0.000 0.425 805 K N 0.582 121.001 120.400 0.032 0.000 2.026 805 K HA -0.268 3.044 4.320 -1.682 0.000 0.208 805 K C 2.175 178.778 176.600 0.004 0.000 1.048 805 K CA 1.728 58.019 56.287 0.007 0.000 0.929 805 K CB -0.193 32.312 32.500 0.008 0.000 0.713 805 K HN 0.239 nan 8.250 nan 0.000 0.439 806 K N 0.829 121.232 120.400 0.005 0.000 2.097 806 K HA -0.117 3.194 4.320 -1.682 0.000 0.206 806 K C 2.077 178.684 176.600 0.011 0.000 1.049 806 K CA 1.185 57.472 56.287 0.000 0.000 0.933 806 K CB -0.081 32.412 32.500 -0.012 0.000 0.717 806 K HN 0.137 nan 8.250 nan 0.000 0.442 807 A N 1.056 123.901 122.820 0.042 0.000 1.933 807 A HA -0.175 3.137 4.320 -1.682 0.000 0.218 807 A C 2.097 179.686 177.584 0.009 0.000 1.175 807 A CA 1.740 53.808 52.037 0.051 0.000 0.628 807 A CB -0.479 18.602 19.000 0.135 0.000 0.814 807 A HN 0.357 nan 8.150 nan 0.000 0.444 808 M N -0.773 118.828 119.600 0.002 0.000 2.117 808 M HA -0.108 3.363 4.480 -1.682 0.000 0.262 808 M C 2.065 178.349 176.300 -0.027 0.000 1.065 808 M CA 1.575 56.860 55.300 -0.025 0.000 1.114 808 M CB -0.536 32.038 32.600 -0.043 0.000 1.361 808 M HN 0.398 nan 8.290 nan 0.000 0.408 809 I N 0.205 120.762 120.570 -0.022 0.000 2.142 809 I HA -0.299 2.862 4.170 -1.682 0.000 0.240 809 I C 1.889 177.991 176.117 -0.024 0.000 1.078 809 I CA 1.223 62.509 61.300 -0.023 0.000 1.343 809 I CB -0.594 37.395 38.000 -0.019 0.000 1.046 809 I HN 0.237 nan 8.210 nan 0.000 0.405 810 D N 0.706 121.094 120.400 -0.020 0.000 2.123 810 D HA -0.192 3.439 4.640 -1.682 0.000 0.196 810 D C 1.985 178.264 176.300 -0.036 0.000 0.992 810 D CA 1.156 55.142 54.000 -0.025 0.000 0.833 810 D CB -0.386 40.403 40.800 -0.018 0.000 0.954 810 D HN 0.175 nan 8.370 nan 0.000 0.455 811 L N 1.089 122.289 121.223 -0.039 0.000 2.017 811 L HA -0.138 3.194 4.340 -1.682 0.000 0.208 811 L C 1.563 178.400 176.870 -0.056 0.000 1.073 811 L CA 1.734 56.539 54.840 -0.057 0.000 0.745 811 L CB -0.757 41.265 42.059 -0.062 0.000 0.894 811 L HN -0.133 nan 8.230 nan 0.000 0.432 812 N N -0.008 118.668 118.700 -0.041 0.000 2.166 812 N HA -0.113 3.618 4.740 -1.682 0.000 0.186 812 N C 1.802 177.291 175.510 -0.036 0.000 1.019 812 N CA 1.452 54.481 53.050 -0.034 0.000 0.856 812 N CB -0.435 38.037 38.487 -0.024 0.000 0.993 812 N HN 0.556 nan 8.380 nan 0.000 0.426 813 A N 0.958 123.756 122.820 -0.037 0.000 1.898 813 A HA -0.084 3.227 4.320 -1.682 0.000 0.216 813 A C 2.170 179.728 177.584 -0.043 0.000 1.181 813 A CA 1.032 53.047 52.037 -0.036 0.000 0.620 813 A CB -0.184 18.796 19.000 -0.032 0.000 0.819 813 A HN 0.099 nan 8.150 nan 0.000 0.442 814 R N -0.268 120.200 120.500 -0.052 0.000 2.075 814 R HA -0.006 3.325 4.340 -1.682 0.000 0.232 814 R C 2.100 178.356 176.300 -0.073 0.000 1.126 814 R CA 1.175 57.237 56.100 -0.064 0.000 0.963 814 R CB -1.061 29.195 30.300 -0.075 0.000 0.858 814 R HN 0.583 nan 8.270 nan 0.000 0.435 815 L N 0.848 122.025 121.223 -0.077 0.000 2.042 815 L HA -0.192 3.139 4.340 -1.682 0.000 0.210 815 L C 2.725 179.557 176.870 -0.062 0.000 1.076 815 L CA 1.535 56.325 54.840 -0.083 0.000 0.749 815 L CB -0.466 41.547 42.059 -0.076 0.000 0.893 815 L HN 0.191 nan 8.230 nan 0.000 0.432 816 K N 0.567 120.939 120.400 -0.046 0.000 2.025 816 K HA -0.192 3.119 4.320 -1.682 0.000 0.207 816 K C 1.927 178.504 176.600 -0.039 0.000 1.049 816 K CA 1.467 57.733 56.287 -0.036 0.000 0.933 816 K CB 0.013 32.495 32.500 -0.029 0.000 0.714 816 K HN 0.296 nan 8.250 nan 0.000 0.438 817 E N 0.334 120.509 120.200 -0.043 0.000 2.118 817 E HA -0.177 3.164 4.350 -1.682 0.000 0.195 817 E C 1.570 178.142 176.600 -0.048 0.000 0.992 817 E CA 1.088 57.463 56.400 -0.042 0.000 0.804 817 E CB 0.085 29.760 29.700 -0.043 0.000 0.741 817 E HN 0.321 nan 8.360 nan 0.000 0.458 818 E N 0.300 120.465 120.200 -0.059 0.000 2.489 818 E HA 0.010 3.351 4.350 -1.682 0.000 0.193 818 E C 0.006 176.566 176.600 -0.067 0.000 1.057 818 E CA 0.046 56.405 56.400 -0.068 0.000 0.866 818 E CB 0.253 29.900 29.700 -0.089 0.000 0.916 818 E HN 0.065 nan 8.360 nan 0.000 0.500 819 R N -0.150 120.316 120.500 -0.056 0.000 3.516 819 R HA -0.177 3.154 4.340 -1.682 0.000 0.271 819 R C -0.331 175.931 176.300 -0.064 0.000 1.098 819 R CA 0.297 56.368 56.100 -0.048 0.000 0.732 819 R CB -2.496 27.780 30.300 -0.040 0.000 1.152 819 R HN 0.144 nan 8.270 nan 0.000 0.455 820 L N 0.063 121.234 121.223 -0.085 0.000 2.395 820 L HA 0.104 3.435 4.340 -1.682 0.000 0.269 820 L C 1.817 178.627 176.870 -0.099 0.000 1.133 820 L CA -0.160 54.605 54.840 -0.124 0.000 0.812 820 L CB 0.762 42.718 42.059 -0.171 0.000 1.125 820 L HN 0.230 nan 8.230 nan 0.000 0.452 821 Q N 1.796 121.511 119.800 -0.142 0.000 2.311 821 Q HA 0.093 3.424 4.340 -1.682 0.000 0.203 821 Q C 0.681 176.594 176.000 -0.145 0.000 0.954 821 Q CA 0.198 55.953 55.803 -0.079 0.000 0.885 821 Q CB 0.119 28.795 28.738 -0.104 0.000 0.963 821 Q HN 0.787 nan 8.270 nan 0.000 0.471 822 A N 2.626 125.256 122.820 -0.316 0.000 2.587 822 A HA -0.009 3.302 4.320 -1.682 0.000 0.233 822 A C -0.089 177.401 177.584 -0.156 0.000 1.049 822 A CA 0.470 52.289 52.037 -0.364 0.000 0.754 822 A CB -0.202 18.586 19.000 -0.354 0.000 0.977 822 A HN 0.426 nan 8.150 nan 0.000 0.509 823 H N 0.092 119.154 119.070 -0.013 0.000 3.016 823 H HA 0.530 4.077 4.556 -1.682 0.000 0.362 823 H C -1.326 174.010 175.328 0.014 0.000 1.233 823 H CA -1.196 54.860 56.048 0.012 0.000 1.124 823 H CB 0.664 30.466 29.762 0.066 0.000 1.850 823 H HN 0.494 nan 8.280 nan 0.000 0.549 824 L N 1.869 123.202 121.223 0.183 0.000 2.453 824 L HA 0.008 3.339 4.340 -1.682 0.000 0.272 824 L C 1.066 178.043 176.870 0.177 0.000 1.182 824 L CA -0.105 54.801 54.840 0.109 0.000 0.858 824 L CB 0.580 42.662 42.059 0.039 0.000 1.120 824 L HN 0.553 nan 8.230 nan 0.000 0.474 825 L N 3.546 124.833 121.223 0.107 0.000 2.519 825 L HA 0.315 3.646 4.340 -1.682 0.000 0.194 825 L C -0.011 176.920 176.870 0.101 0.000 1.072 825 L CA 0.282 55.181 54.840 0.098 0.000 0.845 825 L CB 0.337 42.406 42.059 0.018 0.000 1.138 825 L HN 0.416 nan 8.230 nan 0.000 0.487 826 L N -0.468 120.768 121.223 0.021 0.000 2.393 826 L HA 0.450 3.781 4.340 -1.682 0.000 0.260 826 L C -0.962 175.888 176.870 -0.033 0.000 1.002 826 L CA -0.513 54.382 54.840 0.093 0.000 0.818 826 L CB 2.343 44.387 42.059 -0.025 0.000 1.369 826 L HN -0.030 nan 8.230 nan 0.000 0.412 827 Q N 1.538 121.278 119.800 -0.100 0.000 2.333 827 Q HA 0.484 3.815 4.340 -1.682 0.000 0.267 827 Q C -1.576 174.388 176.000 -0.060 0.000 1.012 827 Q CA -0.472 55.252 55.803 -0.132 0.000 0.824 827 Q CB 2.491 31.062 28.738 -0.278 0.000 1.290 827 Q HN 0.520 nan 8.270 nan 0.000 0.449 828 V N 6.286 126.163 119.914 -0.060 0.000 2.454 828 V HA 0.222 3.333 4.120 -1.682 0.000 0.255 828 V C 0.130 176.136 176.094 -0.146 0.000 1.009 828 V CA -0.333 61.867 62.300 -0.165 0.000 1.149 828 V CB -0.404 31.445 31.823 0.044 0.000 1.418 828 V HN 0.935 nan 8.190 nan 0.000 0.567 829 H N 1.852 120.982 119.070 0.099 0.000 4.844 829 H HA -0.202 3.345 4.556 -1.682 0.000 0.071 829 H C 1.064 176.449 175.328 0.095 0.000 0.589 829 H CA 2.172 58.270 56.048 0.083 0.000 1.006 829 H CB -0.951 28.854 29.762 0.072 0.000 0.443 829 H HN 0.844 nan 8.280 nan 0.000 0.779 830 D N 1.376 121.913 120.400 0.228 0.000 2.582 830 D HA 0.226 3.857 4.640 -1.682 0.000 0.246 830 D C 0.317 176.738 176.300 0.202 0.000 1.334 830 D CA 0.404 54.550 54.000 0.245 0.000 0.805 830 D CB 0.384 41.312 40.800 0.215 0.000 1.087 830 D HN 0.729 nan 8.370 nan 0.000 0.499 831 E N 0.041 120.314 120.200 0.123 0.000 2.383 831 E HA 0.602 3.943 4.350 -1.682 0.000 0.275 831 E C -1.319 175.299 176.600 0.030 0.000 0.918 831 E CA -1.114 55.324 56.400 0.063 0.000 0.764 831 E CB 1.959 31.716 29.700 0.096 0.000 1.252 831 E HN -0.035 nan 8.360 nan 0.000 0.449 832 L N 2.129 123.355 121.223 0.005 0.000 2.365 832 L HA 0.539 3.870 4.340 -1.682 0.000 0.273 832 L C -0.790 176.095 176.870 0.024 0.000 1.000 832 L CA -1.269 53.569 54.840 -0.004 0.000 0.819 832 L CB 1.700 43.746 42.059 -0.022 0.000 1.284 832 L HN 0.537 nan 8.230 nan 0.000 0.418 833 I N 4.124 124.683 120.570 -0.019 0.000 2.406 833 I HA 0.514 3.675 4.170 -1.682 0.000 0.290 833 I C -0.392 175.708 176.117 -0.027 0.000 0.999 833 I CA -0.446 60.819 61.300 -0.059 0.000 1.124 833 I CB 1.691 39.511 38.000 -0.300 0.000 1.289 833 I HN 0.388 nan 8.210 nan 0.000 0.441 834 L N 5.562 126.812 121.223 0.044 0.000 2.309 834 L HA 0.569 3.900 4.340 -1.682 0.000 0.261 834 L C 0.059 176.945 176.870 0.026 0.000 1.021 834 L CA -0.483 54.373 54.840 0.026 0.000 0.823 834 L CB 1.859 43.911 42.059 -0.010 0.000 1.366 834 L HN 0.654 nan 8.230 nan 0.000 0.423 835 E N 0.750 120.927 120.200 -0.038 0.000 2.312 835 E HA 0.942 4.283 4.350 -1.682 0.000 0.267 835 E C -1.436 175.057 176.600 -0.179 0.000 0.894 835 E CA -1.142 55.267 56.400 0.016 0.000 0.773 835 E CB 2.611 32.413 29.700 0.171 0.000 1.241 835 E HN 0.668 nan 8.360 nan 0.000 0.432 836 A N 1.946 124.615 122.820 -0.251 0.000 2.601 836 A HA 0.589 3.901 4.320 -1.682 0.000 0.291 836 A C -2.937 173.984 177.584 -1.106 0.000 1.075 836 A CA -1.508 50.006 52.037 -0.870 0.000 0.671 836 A CB 1.204 19.838 19.000 -0.610 0.000 1.277 836 A HN 0.502 nan 8.150 nan 0.000 0.417 837 P HA 0.060 nan 4.420 nan 0.000 0.266 837 P C 0.534 177.546 177.300 -0.480 0.000 1.195 837 P CA 0.127 62.580 63.100 -1.079 0.000 0.768 837 P CB 0.527 31.776 31.700 -0.752 0.000 0.838 838 K N 2.244 122.504 120.400 -0.233 0.000 2.211 838 K HA -0.206 3.105 4.320 -1.682 0.000 0.204 838 K C 0.711 177.204 176.600 -0.177 0.000 1.047 838 K CA 1.779 57.981 56.287 -0.142 0.000 0.935 838 K CB -0.412 32.074 32.500 -0.024 0.000 0.728 838 K HN 0.291 nan 8.250 nan 0.000 0.452 839 E N 1.157 121.249 120.200 -0.181 0.000 2.478 839 E HA -0.049 3.292 4.350 -1.682 0.000 0.198 839 E C 0.858 177.340 176.600 -0.197 0.000 1.046 839 E CA 0.663 56.971 56.400 -0.153 0.000 0.870 839 E CB 0.244 29.874 29.700 -0.117 0.000 0.818 839 E HN 0.479 nan 8.360 nan 0.000 0.527 840 E N -0.517 119.518 120.200 -0.275 0.000 2.481 840 E HA 0.079 3.420 4.350 -1.682 0.000 0.198 840 E C 1.242 177.648 176.600 -0.322 0.000 1.027 840 E CA -0.140 56.082 56.400 -0.298 0.000 0.900 840 E CB 0.238 29.718 29.700 -0.368 0.000 0.993 840 E HN 0.206 nan 8.360 nan 0.000 0.482 841 M N 0.736 120.134 119.600 -0.336 0.000 2.117 841 M HA -0.138 3.333 4.480 -1.682 0.000 0.262 841 M C 1.791 177.913 176.300 -0.297 0.000 1.065 841 M CA 1.590 56.635 55.300 -0.424 0.000 1.114 841 M CB -0.674 31.511 32.600 -0.692 0.000 1.361 841 M HN 0.136 nan 8.290 nan 0.000 0.408 842 E N -0.287 119.795 120.200 -0.197 0.000 2.077 842 E HA -0.188 3.153 4.350 -1.682 0.000 0.193 842 E C 2.188 178.712 176.600 -0.126 0.000 0.989 842 E CA 1.027 57.366 56.400 -0.102 0.000 0.800 842 E CB -0.159 29.504 29.700 -0.061 0.000 0.746 842 E HN 0.510 nan 8.360 nan 0.000 0.452 843 R N 0.282 120.680 120.500 -0.170 0.000 2.073 843 R HA -0.128 3.203 4.340 -1.682 0.000 0.234 843 R C 2.324 178.470 176.300 -0.256 0.000 1.134 843 R CA 0.820 56.809 56.100 -0.184 0.000 0.952 843 R CB -0.270 29.921 30.300 -0.181 0.000 0.850 843 R HN 0.071 nan 8.270 nan 0.000 0.433 844 L N 0.506 121.509 121.223 -0.367 0.000 2.079 844 L HA -0.231 3.100 4.340 -1.682 0.000 0.210 844 L C 2.259 178.811 176.870 -0.531 0.000 1.081 844 L CA 1.417 55.903 54.840 -0.591 0.000 0.752 844 L CB -0.840 40.646 42.059 -0.955 0.000 0.896 844 L HN 0.314 nan 8.230 nan 0.000 0.433 845 C N -1.103 118.042 119.300 -0.257 0.000 2.419 845 C HA -0.148 3.303 4.460 -1.682 0.000 0.281 845 C C 2.819 177.609 174.990 -0.333 0.000 1.336 845 C CA 0.662 59.586 59.018 -0.157 0.000 1.770 845 C CB -0.879 26.944 27.740 0.138 0.000 1.929 845 C HN 0.472 nan 8.230 nan 0.000 0.509 846 R N -0.941 119.426 120.500 -0.221 0.000 2.123 846 R HA 0.084 3.415 4.340 -1.682 0.000 0.209 846 R C 2.033 178.217 176.300 -0.193 0.000 1.078 846 R CA 0.398 56.394 56.100 -0.173 0.000 1.028 846 R CB -0.468 29.769 30.300 -0.105 0.000 0.939 846 R HN 0.295 nan 8.270 nan 0.000 0.463 847 L N 0.960 122.050 121.223 -0.222 0.000 2.005 847 L HA -0.084 3.247 4.340 -1.682 0.000 0.207 847 L C 1.981 178.723 176.870 -0.213 0.000 1.072 847 L CA 1.656 56.374 54.840 -0.204 0.000 0.744 847 L CB -0.423 41.502 42.059 -0.223 0.000 0.895 847 L HN -0.105 nan 8.230 nan 0.000 0.433 848 V N 0.612 120.353 119.914 -0.289 0.000 2.261 848 V HA -0.163 2.949 4.120 -1.682 0.000 0.246 848 V C -0.081 175.919 176.094 -0.158 0.000 1.047 848 V CA 2.114 64.280 62.300 -0.223 0.000 1.015 848 V CB -1.970 29.712 31.823 -0.236 0.000 0.642 848 V HN 0.326 nan 8.190 nan 0.000 0.446 849 P HA -0.173 nan 4.420 nan 0.000 0.216 849 P C 1.625 178.877 177.300 -0.081 0.000 1.150 849 P CA 1.559 64.580 63.100 -0.131 0.000 0.837 849 P CB 0.088 31.687 31.700 -0.170 0.000 0.786 850 E N -0.149 119.995 120.200 -0.093 0.000 2.051 850 E HA -0.139 3.202 4.350 -1.682 0.000 0.192 850 E C 1.845 178.420 176.600 -0.043 0.000 0.991 850 E CA 1.252 57.619 56.400 -0.056 0.000 0.799 850 E CB -1.237 28.424 29.700 -0.064 0.000 0.748 850 E HN -0.094 nan 8.360 nan 0.000 0.449 851 V N 0.596 120.472 119.914 -0.063 0.000 2.332 851 V HA -0.301 2.811 4.120 -1.682 0.000 0.248 851 V C 2.476 178.563 176.094 -0.011 0.000 1.055 851 V CA 2.245 64.518 62.300 -0.045 0.000 1.038 851 V CB -0.504 31.280 31.823 -0.066 0.000 0.651 851 V HN 0.365 nan 8.190 nan 0.000 0.450 852 M N -0.812 118.771 119.600 -0.027 0.000 2.156 852 M HA -0.149 3.322 4.480 -1.682 0.000 0.264 852 M C 2.177 178.583 176.300 0.178 0.000 1.067 852 M CA 1.671 56.984 55.300 0.023 0.000 1.131 852 M CB -0.446 31.998 32.600 -0.259 0.000 1.368 852 M HN 0.323 nan 8.290 nan 0.000 0.416 853 E N -0.054 120.203 120.200 0.095 0.000 2.204 853 E HA -0.173 3.168 4.350 -1.682 0.000 0.195 853 E C 1.680 178.318 176.600 0.063 0.000 0.990 853 E CA 0.755 57.220 56.400 0.108 0.000 0.821 853 E CB 0.094 29.829 29.700 0.058 0.000 0.750 853 E HN 0.447 nan 8.360 nan 0.000 0.477 854 Q N -0.893 118.929 119.800 0.038 0.000 2.282 854 Q HA 0.204 3.535 4.340 -1.682 0.000 0.206 854 Q C 1.654 177.658 176.000 0.006 0.000 0.878 854 Q CA 0.285 56.095 55.803 0.011 0.000 0.944 854 Q CB 0.834 29.571 28.738 -0.002 0.000 1.100 854 Q HN 0.191 nan 8.270 nan 0.000 0.509 855 A N 1.046 123.883 122.820 0.028 0.000 1.908 855 A HA -0.033 3.278 4.320 -1.682 0.000 0.218 855 A C 1.311 178.879 177.584 -0.026 0.000 1.181 855 A CA 1.722 53.768 52.037 0.014 0.000 0.627 855 A CB -0.140 18.893 19.000 0.055 0.000 0.818 855 A HN 0.221 nan 8.150 nan 0.000 0.445 856 V N -5.190 114.693 119.914 -0.053 0.000 3.130 856 V HA 0.716 3.828 4.120 -1.682 0.000 0.310 856 V C -0.666 175.373 176.094 -0.092 0.000 1.158 856 V CA -0.574 61.674 62.300 -0.087 0.000 1.029 856 V CB 1.675 33.413 31.823 -0.142 0.000 1.057 856 V HN 0.011 nan 8.190 nan 0.000 0.436 857 T N 4.226 118.725 114.554 -0.091 0.000 2.772 857 T HA 0.690 4.031 4.350 -1.682 0.000 0.288 857 T C -0.218 174.412 174.700 -0.117 0.000 0.994 857 T CA -0.195 61.860 62.100 -0.074 0.000 0.951 857 T CB 0.546 69.397 68.868 -0.028 0.000 0.933 857 T HN 0.620 nan 8.240 nan 0.000 0.447 858 L N 2.283 123.420 121.223 -0.144 0.000 2.397 858 L HA 0.551 3.882 4.340 -1.682 0.000 0.266 858 L C 1.747 178.672 176.870 0.090 0.000 1.040 858 L CA -1.176 53.555 54.840 -0.181 0.000 0.800 858 L CB 1.009 42.880 42.059 -0.313 0.000 1.324 858 L HN 0.522 nan 8.230 nan 0.000 0.469 859 R N -0.150 120.560 120.500 0.349 0.000 2.280 859 R HA 0.007 3.338 4.340 -1.682 0.000 0.207 859 R C -0.075 176.289 176.300 0.106 0.000 1.043 859 R CA 0.439 56.651 56.100 0.186 0.000 1.006 859 R CB -0.165 30.215 30.300 0.133 0.000 0.885 859 R HN 0.519 nan 8.270 nan 0.000 0.467 860 V N -2.692 117.268 119.914 0.075 0.000 3.001 860 V HA 0.572 3.683 4.120 -1.682 0.000 0.314 860 V C -2.791 173.290 176.094 -0.021 0.000 1.099 860 V CA -3.298 59.025 62.300 0.040 0.000 0.989 860 V CB 2.171 34.022 31.823 0.047 0.000 1.040 860 V HN -0.208 nan 8.190 nan 0.000 0.434 861 P HA 0.345 nan 4.420 nan 0.000 0.272 861 P C -0.984 176.272 177.300 -0.073 0.000 1.223 861 P CA -0.237 62.851 63.100 -0.020 0.000 0.784 861 P CB 0.333 32.045 31.700 0.020 0.000 0.923 862 L N 2.826 124.021 121.223 -0.046 0.000 2.292 862 L HA 0.363 3.694 4.340 -1.682 0.000 0.284 862 L C 0.600 177.508 176.870 0.063 0.000 1.065 862 L CA -0.073 54.753 54.840 -0.023 0.000 0.806 862 L CB 0.095 42.166 42.059 0.019 0.000 1.175 862 L HN 0.320 nan 8.230 nan 0.000 0.431 863 K N 2.933 123.383 120.400 0.085 0.000 2.221 863 K HA 0.670 3.981 4.320 -1.682 0.000 0.258 863 K C -1.651 175.032 176.600 0.139 0.000 0.944 863 K CA -0.543 55.803 56.287 0.098 0.000 0.823 863 K CB 1.718 34.263 32.500 0.074 0.000 1.113 863 K HN 0.351 nan 8.250 nan 0.000 0.431 864 V N 3.781 123.755 119.914 0.102 0.000 2.487 864 V HA 0.246 3.357 4.120 -1.682 0.000 0.298 864 V C -0.816 175.338 176.094 0.099 0.000 1.028 864 V CA -0.958 61.376 62.300 0.057 0.000 0.860 864 V CB 1.738 33.548 31.823 -0.022 0.000 0.991 864 V HN 0.797 nan 8.190 nan 0.000 0.427 865 D N 3.653 124.073 120.400 0.034 0.000 2.163 865 D HA 0.587 4.218 4.640 -1.682 0.000 0.248 865 D C -0.856 175.349 176.300 -0.159 0.000 1.035 865 D CA 0.176 54.118 54.000 -0.096 0.000 0.872 865 D CB 1.957 42.714 40.800 -0.073 0.000 1.183 865 D HN 0.602 nan 8.370 nan 0.000 0.445 866 Y N -1.325 118.657 120.300 -0.531 0.000 2.562 866 Y HA 0.656 4.197 4.550 -1.682 0.000 0.345 866 Y C -0.804 174.477 175.900 -1.032 0.000 1.045 866 Y CA -0.969 56.747 58.100 -0.640 0.000 1.028 866 Y CB 1.757 39.966 38.460 -0.419 0.000 1.297 866 Y HN 0.264 nan 8.280 nan 0.000 0.463 867 H N 1.069 119.937 119.070 -0.337 0.000 3.046 867 H HA 0.398 3.945 4.556 -1.683 0.000 0.361 867 H C -1.701 173.469 175.328 -0.263 0.000 1.235 867 H CA -1.006 54.862 56.048 -0.300 0.000 1.146 867 H CB 2.523 32.139 29.762 -0.244 0.000 1.859 867 H HN 0.907 nan 8.280 nan 0.000 0.548 868 Y N -1.074 119.207 120.300 -0.031 0.000 2.638 868 Y HA 0.809 4.349 4.550 -1.682 0.000 0.339 868 Y C -0.169 175.784 175.900 0.088 0.000 1.084 868 Y CA -0.846 57.275 58.100 0.035 0.000 1.068 868 Y CB 1.792 40.346 38.460 0.157 0.000 1.294 868 Y HN 0.928 nan 8.280 nan 0.000 0.480 869 G N -0.303 108.681 108.800 0.306 0.000 2.380 869 G HA2 0.328 3.279 3.960 -1.682 0.000 0.299 869 G HA3 0.328 3.279 3.960 -1.682 0.000 0.299 869 G C -0.707 174.333 174.900 0.233 0.000 1.321 869 G CA -0.412 44.811 45.100 0.205 0.000 0.823 869 G HN 0.630 nan 8.290 nan 0.000 0.496 870 S N -0.794 115.020 115.700 0.189 0.000 2.461 870 S HA 0.205 3.666 4.470 -1.682 0.000 0.228 870 S C 1.208 175.921 174.600 0.187 0.000 1.005 870 S CA 1.504 59.810 58.200 0.176 0.000 0.942 870 S CB -0.194 63.087 63.200 0.135 0.000 0.776 870 S HN 1.335 nan 8.310 nan 0.000 0.514 871 T N -3.607 111.080 114.554 0.222 0.000 2.841 871 T HA 0.340 3.682 4.350 -1.682 0.000 0.296 871 T C -0.023 174.895 174.700 0.363 0.000 1.166 871 T CA -0.814 61.451 62.100 0.276 0.000 1.007 871 T CB 0.832 69.857 68.868 0.261 0.000 1.253 871 T HN 0.118 nan 8.240 nan 0.000 0.511 872 W N 0.496 121.906 121.300 0.184 0.000 2.342 872 W HA -0.125 3.526 4.660 -1.682 0.000 0.297 872 W C 1.906 178.484 176.519 0.097 0.000 1.213 872 W CA 1.015 58.434 57.345 0.122 0.000 1.251 872 W CB -1.159 28.351 29.460 0.084 0.000 1.136 872 W HN 0.915 nan 8.180 nan 0.000 0.526 873 Y N 1.538 121.934 120.300 0.160 0.000 2.114 873 Y HA -0.293 3.249 4.550 -1.680 0.000 0.282 873 Y C 2.152 178.052 175.900 0.001 0.000 1.165 873 Y CA 2.678 60.770 58.100 -0.013 0.000 1.148 873 Y CB -0.593 37.868 38.460 0.001 0.000 0.972 873 Y HN -0.172 nan 8.280 nan 0.000 0.504 874 D N 0.231 120.774 120.400 0.238 0.000 2.347 874 D HA 0.022 3.653 4.640 -1.682 0.000 0.215 874 D C 0.819 177.126 176.300 0.011 0.000 0.976 874 D CA 0.941 55.013 54.000 0.120 0.000 0.884 874 D CB -0.255 40.655 40.800 0.183 0.000 0.915 874 D HN 0.351 nan 8.370 nan 0.000 0.526 875 A N 1.665 124.533 122.820 0.080 0.000 3.051 875 A HA 0.196 3.508 4.320 -1.682 0.000 0.257 875 A C 0.542 178.104 177.584 -0.036 0.000 1.785 875 A CA -0.070 52.015 52.037 0.080 0.000 1.420 875 A CB -0.805 18.321 19.000 0.209 0.000 1.063 875 A HN 0.206 nan 8.150 nan 0.000 0.630 876 K N 0.000 120.262 120.400 -0.230 0.000 2.780 876 K HA 0.000 3.311 4.320 -1.682 0.000 0.191 876 K CA 0.000 55.965 56.287 -0.537 0.000 0.838 876 K CB 0.000 32.232 32.500 -0.446 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543