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 1ua0_1_A DATA FIRST_RESID 297 DATA SEQUENCE AAMAFTLADR VTEEMLADKA ALVVEVVEEN YHDAPIVGIA VVNEHGRFFL DATA SEQUENCE RPETALADPQ FVAWLGDETK KKSMFDSKRA AVALKWKGIE LCGVSFDLLL DATA SEQUENCE AAYLLDPAQG VDDVAAAAKM KQYEAVRPDE AVYGKGAKRA VPDEPVLAEH DATA SEQUENCE LVRKAAAIWE LERPFLDELR RNEQDRLLVE LEQPLSSILA EMEFAGVKVD DATA SEQUENCE TKRLEQMGKE LAEQLGTVEQ RIYELAGQEF NINSPKQLGV ILFEKLQLPV DATA SEQUENCE LKKTKTGYST SADVLEKLAP YHEIVENILH YRQLGKLQST YIEGLLKVVR DATA SEQUENCE PDTKKVHTIF NQALTQTGRL SSTEPNLQNI PIRLEEGRKI RQAFVPSESD DATA SEQUENCE WLIFAADYSQ IELRVLAHIA EDDNLMEAFR RDLDIHTKTA MDIFQVSEDE DATA SEQUENCE VTPNMRRQAK AVNFGIVYGI SDYGLAQNLN ISRKEAAEFI ERYFESFPGV DATA SEQUENCE KRYMENIVQE AKQKGYVTTL LHRRRYLPDI TSRNFNVRSF AERMAMNTPI DATA SEQUENCE QGSAADIIKK AMIDLNARLK EERLQAHLLL QVHDELILEA PKEEMERLCR DATA SEQUENCE LVPEVMEQAV TLRVPLKVDY HYGSTWYDAK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 297 A HA 0.000 nan 4.320 nan 0.000 0.244 297 A C 0.000 177.586 177.584 0.003 0.000 1.274 297 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 297 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 298 A N 2.243 125.066 122.820 0.006 0.000 2.615 298 A HA 0.417 4.735 4.320 -0.003 0.000 0.230 298 A C 0.558 178.168 177.584 0.042 0.000 1.062 298 A CA 1.134 53.187 52.037 0.027 0.000 0.758 298 A CB -0.079 18.929 19.000 0.013 0.000 0.995 298 A HN 1.794 nan 8.150 nan 0.000 0.511 299 M N 2.448 122.105 119.600 0.094 0.000 2.209 299 M HA 0.539 5.017 4.480 -0.003 0.000 0.355 299 M C 0.270 176.669 176.300 0.166 0.000 1.171 299 M CA -0.319 55.051 55.300 0.117 0.000 1.069 299 M CB 0.937 33.618 32.600 0.134 0.000 1.622 299 M HN 0.883 nan 8.290 nan 0.000 0.459 300 A N 5.050 127.915 122.820 0.074 0.000 2.425 300 A HA 0.627 4.945 4.320 -0.003 0.000 0.249 300 A C -0.819 176.827 177.584 0.104 0.000 1.084 300 A CA -0.140 51.893 52.037 -0.006 0.000 0.781 300 A CB -0.150 18.820 19.000 -0.050 0.000 1.019 300 A HN 0.942 nan 8.150 nan 0.000 0.490 301 F N -1.613 118.276 119.950 -0.102 0.000 2.769 301 F HA 0.546 5.070 4.527 -0.006 0.000 0.313 301 F C -0.707 175.026 175.800 -0.111 0.000 1.146 301 F CA -0.773 57.142 58.000 -0.141 0.000 0.934 301 F CB 0.746 39.695 39.000 -0.086 0.000 1.283 301 F HN 0.313 nan 8.300 nan 0.000 0.443 302 T N 3.443 118.038 114.554 0.069 0.000 2.733 302 T HA 0.370 4.718 4.350 -0.003 0.000 0.294 302 T C -0.328 174.570 174.700 0.330 0.000 0.956 302 T CA -0.288 61.858 62.100 0.078 0.000 0.987 302 T CB 0.807 69.719 68.868 0.073 0.000 0.920 302 T HN 0.743 nan 8.240 nan 0.000 0.470 303 L N 4.224 125.591 121.223 0.241 0.000 2.375 303 L HA 0.479 4.817 4.340 -0.003 0.000 0.276 303 L C 0.741 177.761 176.870 0.250 0.000 1.162 303 L CA -0.586 54.483 54.840 0.382 0.000 0.991 303 L CB -0.383 41.835 42.059 0.265 0.000 1.315 303 L HN 0.706 nan 8.230 nan 0.000 0.431 304 A N 2.745 125.714 122.820 0.247 0.000 2.445 304 A HA 0.122 4.440 4.320 -0.003 0.000 0.242 304 A C 0.447 178.071 177.584 0.067 0.000 1.075 304 A CA -0.241 51.873 52.037 0.127 0.000 0.777 304 A CB 0.296 19.345 19.000 0.082 0.000 1.013 304 A HN 0.731 nan 8.150 nan 0.000 0.493 305 D N -0.363 120.054 120.400 0.029 0.000 2.423 305 D HA 0.119 4.757 4.640 -0.003 0.000 0.208 305 D C 0.693 176.973 176.300 -0.033 0.000 1.068 305 D CA 0.689 54.693 54.000 0.007 0.000 0.860 305 D CB 0.289 41.096 40.800 0.013 0.000 0.992 305 D HN 0.742 nan 8.370 nan 0.000 0.504 306 R N -0.982 119.488 120.500 -0.050 0.000 2.739 306 R HA 0.569 4.907 4.340 -0.003 0.000 0.271 306 R C -1.243 174.985 176.300 -0.119 0.000 1.010 306 R CA -0.799 55.253 56.100 -0.080 0.000 0.897 306 R CB 1.176 31.444 30.300 -0.054 0.000 1.236 306 R HN -0.298 nan 8.270 nan 0.000 0.466 307 V N 1.897 121.724 119.914 -0.146 0.000 2.530 307 V HA 0.287 4.405 4.120 -0.003 0.000 0.282 307 V C 0.485 176.486 176.094 -0.155 0.000 1.048 307 V CA 0.038 62.226 62.300 -0.187 0.000 0.997 307 V CB 1.080 32.809 31.823 -0.158 0.000 0.987 307 V HN 0.964 nan 8.190 nan 0.000 0.477 308 T N 0.451 114.876 114.554 -0.215 0.000 2.942 308 T HA 0.451 4.799 4.350 -0.003 0.000 0.289 308 T C 0.754 175.318 174.700 -0.227 0.000 1.044 308 T CA -0.551 61.436 62.100 -0.188 0.000 1.023 308 T CB 2.004 70.767 68.868 -0.174 0.000 1.123 308 T HN 0.499 nan 8.240 nan 0.000 0.512 309 E N 0.778 120.873 120.200 -0.175 0.000 2.085 309 E HA -0.200 4.148 4.350 -0.003 0.000 0.194 309 E C 1.918 178.378 176.600 -0.233 0.000 0.994 309 E CA 2.103 58.402 56.400 -0.169 0.000 0.801 309 E CB -0.295 29.332 29.700 -0.122 0.000 0.743 309 E HN 0.906 nan 8.360 nan 0.000 0.453 310 E N -0.515 119.510 120.200 -0.293 0.000 2.472 310 E HA -0.165 4.183 4.350 -0.003 0.000 0.200 310 E C 1.696 178.102 176.600 -0.323 0.000 1.046 310 E CA 0.814 56.997 56.400 -0.362 0.000 0.871 310 E CB -0.241 29.200 29.700 -0.432 0.000 0.806 310 E HN 0.355 nan 8.360 nan 0.000 0.533 311 M N 0.518 119.790 119.600 -0.546 0.000 2.506 311 M HA 0.100 4.578 4.480 -0.003 0.000 0.260 311 M C 0.975 176.852 176.300 -0.703 0.000 1.104 311 M CA 0.669 55.510 55.300 -0.764 0.000 1.112 311 M CB 0.287 32.407 32.600 -0.800 0.000 1.401 311 M HN 0.132 nan 8.290 nan 0.000 0.473 312 L N 0.279 121.161 121.223 -0.567 0.000 2.978 312 L HA 0.405 4.743 4.340 -0.003 0.000 0.239 312 L C 0.784 177.558 176.870 -0.160 0.000 1.293 312 L CA -0.852 53.529 54.840 -0.765 0.000 1.085 312 L CB -0.702 41.096 42.059 -0.434 0.000 1.432 312 L HN 0.033 nan 8.230 nan 0.000 0.512 313 A N 0.754 123.571 122.820 -0.005 0.000 2.409 313 A HA -0.008 4.310 4.320 -0.003 0.000 0.246 313 A C 1.359 179.163 177.584 0.366 0.000 1.099 313 A CA 0.222 52.385 52.037 0.210 0.000 0.789 313 A CB 0.200 19.316 19.000 0.193 0.000 1.053 313 A HN 0.584 nan 8.150 nan 0.000 0.503 314 D N -0.614 119.949 120.400 0.271 0.000 2.363 314 D HA -0.011 4.627 4.640 -0.003 0.000 0.220 314 D C 0.370 176.804 176.300 0.223 0.000 0.994 314 D CA 0.824 54.964 54.000 0.233 0.000 0.890 314 D CB 0.170 41.058 40.800 0.146 0.000 0.906 314 D HN 0.448 nan 8.370 nan 0.000 0.530 315 K N -0.159 120.410 120.400 0.282 0.000 2.550 315 K HA 0.565 4.883 4.320 -0.003 0.000 0.252 315 K C -1.991 174.873 176.600 0.441 0.000 0.943 315 K CA -0.631 55.847 56.287 0.319 0.000 0.806 315 K CB 2.342 35.010 32.500 0.278 0.000 1.289 315 K HN 0.040 nan 8.250 nan 0.000 0.435 316 A N 1.808 124.922 122.820 0.490 0.000 2.586 316 A HA 0.737 5.054 4.320 -0.003 0.000 0.291 316 A C -1.824 176.033 177.584 0.454 0.000 1.062 316 A CA -0.536 51.755 52.037 0.423 0.000 0.666 316 A CB 1.281 20.462 19.000 0.301 0.000 1.281 316 A HN 0.726 nan 8.150 nan 0.000 0.421 317 A N 0.321 123.368 122.820 0.379 0.000 2.289 317 A HA 0.664 4.982 4.320 -0.003 0.000 0.298 317 A C -0.686 177.044 177.584 0.243 0.000 1.208 317 A CA -0.235 52.012 52.037 0.350 0.000 0.845 317 A CB 0.297 19.516 19.000 0.365 0.000 1.125 317 A HN 1.908 nan 8.150 nan 0.000 0.517 318 L N 3.481 124.848 121.223 0.239 0.000 2.365 318 L HA 0.753 5.091 4.340 -0.003 0.000 0.273 318 L C -1.114 175.853 176.870 0.163 0.000 1.000 318 L CA -0.326 54.653 54.840 0.232 0.000 0.819 318 L CB 2.249 44.484 42.059 0.294 0.000 1.284 318 L HN 0.384 nan 8.230 nan 0.000 0.418 319 V N 5.557 125.554 119.914 0.138 0.000 2.443 319 V HA 0.461 4.579 4.120 -0.003 0.000 0.293 319 V C -0.737 175.414 176.094 0.095 0.000 1.021 319 V CA -0.576 61.782 62.300 0.097 0.000 0.848 319 V CB 1.844 33.702 31.823 0.057 0.000 0.998 319 V HN 0.501 nan 8.190 nan 0.000 0.424 320 V N 3.942 123.907 119.914 0.085 0.000 2.250 320 V HA 0.327 4.445 4.120 -0.003 0.000 0.268 320 V C 0.104 176.228 176.094 0.051 0.000 1.043 320 V CA -0.626 61.717 62.300 0.072 0.000 0.814 320 V CB 1.246 33.112 31.823 0.072 0.000 1.072 320 V HN 0.927 nan 8.190 nan 0.000 0.451 321 E N 3.447 123.682 120.200 0.058 0.000 2.299 321 E HA 0.303 4.651 4.350 -0.003 0.000 0.272 321 E C -0.751 175.864 176.600 0.025 0.000 1.043 321 E CA 0.205 56.640 56.400 0.059 0.000 0.895 321 E CB 1.051 30.816 29.700 0.108 0.000 1.011 321 E HN 0.415 nan 8.360 nan 0.000 0.432 322 V N 6.428 126.346 119.914 0.008 0.000 2.376 322 V HA 0.107 4.225 4.120 -0.003 0.000 0.287 322 V C 0.809 176.871 176.094 -0.053 0.000 1.015 322 V CA -0.554 61.741 62.300 -0.009 0.000 0.834 322 V CB 1.488 33.326 31.823 0.026 0.000 1.001 322 V HN 0.693 nan 8.190 nan 0.000 0.428 323 V N 2.457 122.286 119.914 -0.141 0.000 2.535 323 V HA 0.033 4.151 4.120 -0.003 0.000 0.246 323 V C 1.258 177.264 176.094 -0.148 0.000 1.045 323 V CA 0.903 63.040 62.300 -0.272 0.000 1.058 323 V CB -0.168 31.364 31.823 -0.486 0.000 0.689 323 V HN 0.803 nan 8.190 nan 0.000 0.461 324 E N 1.002 121.149 120.200 -0.088 0.000 2.465 324 E HA -0.042 4.306 4.350 -0.003 0.000 0.260 324 E C 1.224 177.807 176.600 -0.028 0.000 0.980 324 E CA 0.191 56.556 56.400 -0.058 0.000 0.927 324 E CB 0.659 30.326 29.700 -0.055 0.000 0.934 324 E HN 0.506 nan 8.360 nan 0.000 0.459 325 E N 1.985 122.166 120.200 -0.031 0.000 2.058 325 E HA -0.186 4.162 4.350 -0.003 0.000 0.194 325 E C 0.697 177.252 176.600 -0.075 0.000 0.997 325 E CA 0.778 57.167 56.400 -0.019 0.000 0.801 325 E CB 0.065 29.752 29.700 -0.021 0.000 0.746 325 E HN 0.287 nan 8.360 nan 0.000 0.450 326 N N 0.734 119.361 118.700 -0.121 0.000 2.439 326 N HA -0.042 4.696 4.740 -0.003 0.000 0.243 326 N C 0.049 175.427 175.510 -0.220 0.000 1.088 326 N CA -0.053 52.857 53.050 -0.234 0.000 0.940 326 N CB 0.341 38.747 38.487 -0.135 0.000 1.180 326 N HN 0.102 nan 8.380 nan 0.000 0.505 327 Y N 1.283 121.508 120.300 -0.126 0.000 2.578 327 Y HA 0.180 4.729 4.550 -0.003 0.000 0.297 327 Y C 0.077 175.839 175.900 -0.230 0.000 1.176 327 Y CA -0.429 57.575 58.100 -0.160 0.000 1.315 327 Y CB -1.375 37.005 38.460 -0.132 0.000 1.031 327 Y HN 0.425 nan 8.280 nan 0.000 0.524 328 H N 2.226 121.228 119.070 -0.113 0.000 2.975 328 H HA 0.069 4.623 4.556 -0.003 0.000 0.303 328 H C 0.347 175.127 175.328 -0.914 0.000 1.023 328 H CA 0.942 56.757 56.048 -0.388 0.000 1.473 328 H CB 0.141 29.735 29.762 -0.280 0.000 1.498 328 H HN 0.203 nan 8.280 nan 0.000 0.549 329 D N 1.022 120.575 120.400 -1.412 0.000 2.837 329 D HA -0.199 4.439 4.640 -0.003 0.000 0.230 329 D C -0.373 175.709 176.300 -0.363 0.000 1.152 329 D CA 0.805 54.251 54.000 -0.924 0.000 0.736 329 D CB -0.806 39.300 40.800 -1.158 0.000 1.084 329 D HN 0.681 nan 8.370 nan 0.000 0.429 330 A N -0.223 122.466 122.820 -0.220 0.000 2.264 330 A HA 0.738 5.056 4.320 -0.003 0.000 0.304 330 A C -2.224 175.333 177.584 -0.045 0.000 1.100 330 A CA -1.023 50.950 52.037 -0.106 0.000 0.839 330 A CB 0.753 19.717 19.000 -0.060 0.000 1.121 330 A HN 0.109 nan 8.150 nan 0.000 0.496 331 P HA 0.439 nan 4.420 nan 0.000 0.278 331 P C -1.010 176.289 177.300 -0.001 0.000 1.238 331 P CA -0.056 63.038 63.100 -0.011 0.000 0.794 331 P CB 0.570 32.262 31.700 -0.013 0.000 0.955 332 I N 2.339 122.916 120.570 0.012 0.000 2.307 332 I HA 0.063 4.231 4.170 -0.003 0.000 0.289 332 I C 1.447 177.576 176.117 0.021 0.000 1.021 332 I CA -0.536 60.774 61.300 0.017 0.000 1.224 332 I CB 1.471 39.486 38.000 0.024 0.000 1.376 332 I HN 0.192 nan 8.210 nan 0.000 0.470 333 V N 3.125 123.057 119.914 0.031 0.000 3.306 333 V HA 0.462 4.580 4.120 -0.003 0.000 0.264 333 V C 0.719 176.882 176.094 0.115 0.000 1.149 333 V CA 0.727 63.066 62.300 0.065 0.000 1.143 333 V CB -0.640 31.223 31.823 0.067 0.000 0.767 333 V HN 0.832 nan 8.190 nan 0.000 0.476 334 G N -0.687 108.162 108.800 0.081 0.000 2.387 334 G HA2 0.573 4.531 3.960 -0.003 0.000 0.294 334 G HA3 0.573 4.531 3.960 -0.003 0.000 0.294 334 G C -1.733 173.131 174.900 -0.060 0.000 1.509 334 G CA -0.706 44.424 45.100 0.049 0.000 0.806 334 G HN 0.200 nan 8.290 nan 0.000 0.546 335 I N 0.286 120.666 120.570 -0.317 0.000 2.647 335 I HA 0.719 4.887 4.170 -0.003 0.000 0.295 335 I C 0.088 176.072 176.117 -0.222 0.000 1.078 335 I CA -1.017 60.160 61.300 -0.205 0.000 1.048 335 I CB 2.345 40.209 38.000 -0.227 0.000 1.239 335 I HN 0.856 nan 8.210 nan 0.000 0.421 336 A N 5.376 128.185 122.820 -0.018 0.000 2.414 336 A HA 0.894 5.212 4.320 -0.003 0.000 0.306 336 A C -1.399 176.233 177.584 0.079 0.000 1.054 336 A CA -0.535 51.525 52.037 0.037 0.000 0.724 336 A CB 1.877 20.910 19.000 0.055 0.000 1.267 336 A HN 0.389 nan 8.150 nan 0.000 0.418 337 V N 1.991 121.968 119.914 0.106 0.000 2.638 337 V HA 0.585 4.703 4.120 -0.003 0.000 0.306 337 V C -0.773 175.399 176.094 0.130 0.000 1.052 337 V CA -0.525 61.848 62.300 0.122 0.000 0.885 337 V CB 1.781 33.634 31.823 0.050 0.000 0.999 337 V HN 0.729 nan 8.190 nan 0.000 0.424 338 V N 5.954 125.859 119.914 -0.016 0.000 2.531 338 V HA 0.620 4.738 4.120 -0.003 0.000 0.301 338 V C -0.212 175.519 176.094 -0.606 0.000 1.034 338 V CA -0.480 61.671 62.300 -0.248 0.000 0.865 338 V CB 1.743 33.386 31.823 -0.300 0.000 0.995 338 V HN 1.111 nan 8.190 nan 0.000 0.424 339 N N 2.273 120.596 118.700 -0.628 0.000 3.316 339 N HA 0.292 5.030 4.740 -0.003 0.000 0.300 339 N C 0.684 175.860 175.510 -0.556 0.000 1.567 339 N CA -0.482 52.091 53.050 -0.794 0.000 0.821 339 N CB 1.624 39.977 38.487 -0.223 0.000 1.748 339 N HN 0.552 nan 8.380 nan 0.000 0.603 340 E N -0.205 119.819 120.200 -0.293 0.000 2.209 340 E HA -0.240 4.108 4.350 -0.003 0.000 0.196 340 E C 0.578 177.048 176.600 -0.217 0.000 0.993 340 E CA 1.387 57.688 56.400 -0.166 0.000 0.819 340 E CB -0.442 29.154 29.700 -0.172 0.000 0.745 340 E HN 0.509 nan 8.360 nan 0.000 0.477 341 H N 0.542 119.644 119.070 0.053 0.000 2.548 341 H HA 0.312 4.866 4.556 -0.004 0.000 0.268 341 H C 1.201 176.563 175.328 0.057 0.000 0.975 341 H CA 0.956 57.066 56.048 0.104 0.000 1.195 341 H CB 0.927 30.796 29.762 0.179 0.000 1.397 341 H HN 0.397 nan 8.280 nan 0.000 0.572 342 G N 0.251 109.059 108.800 0.015 0.000 2.320 342 G HA2 0.047 4.005 3.960 -0.003 0.000 0.274 342 G HA3 0.047 4.005 3.960 -0.003 0.000 0.274 342 G C -1.369 173.249 174.900 -0.469 0.000 1.324 342 G CA -1.152 43.782 45.100 -0.276 0.000 0.957 342 G HN 0.127 nan 8.290 nan 0.000 0.481 343 R N -0.462 119.641 120.500 -0.662 0.000 2.494 343 R HA 0.699 5.037 4.340 -0.003 0.000 0.305 343 R C -1.379 174.562 176.300 -0.598 0.000 0.959 343 R CA -0.423 55.421 56.100 -0.426 0.000 0.864 343 R CB 1.387 31.603 30.300 -0.141 0.000 1.159 343 R HN 0.315 nan 8.270 nan 0.000 0.446 344 F N 1.794 121.769 119.950 0.041 0.000 2.588 344 F HA 0.496 5.024 4.527 0.002 0.000 0.314 344 F C -0.582 175.266 175.800 0.079 0.000 1.069 344 F CA -1.207 56.844 58.000 0.086 0.000 0.931 344 F CB 1.474 40.469 39.000 -0.007 0.000 1.260 344 F HN 0.342 nan 8.300 nan 0.000 0.465 345 F N 3.285 123.345 119.950 0.184 0.000 2.529 345 F HA 0.812 5.338 4.527 -0.003 0.000 0.320 345 F C -1.885 173.938 175.800 0.038 0.000 1.118 345 F CA -0.864 57.157 58.000 0.035 0.000 0.915 345 F CB 1.078 40.062 39.000 -0.026 0.000 1.161 345 F HN 0.337 nan 8.300 nan 0.000 0.445 346 L N 6.029 126.714 121.223 -0.897 0.000 2.362 346 L HA 0.588 4.926 4.340 -0.003 0.000 0.271 346 L C -0.387 175.917 176.870 -0.944 0.000 1.002 346 L CA -1.085 53.328 54.840 -0.712 0.000 0.818 346 L CB 2.264 43.972 42.059 -0.586 0.000 1.298 346 L HN 0.575 nan 8.230 nan 0.000 0.420 347 R N 2.370 122.572 120.500 -0.497 0.000 2.390 347 R HA 0.189 4.527 4.340 -0.003 0.000 0.291 347 R C -1.732 174.416 176.300 -0.253 0.000 1.070 347 R CA -1.580 54.351 56.100 -0.283 0.000 1.014 347 R CB 0.832 31.096 30.300 -0.060 0.000 1.007 347 R HN 0.315 nan 8.270 nan 0.000 0.466 348 P HA -0.219 nan 4.420 nan 0.000 0.215 348 P C 0.392 177.640 177.300 -0.085 0.000 1.157 348 P CA 1.349 64.377 63.100 -0.120 0.000 0.874 348 P CB 0.290 31.960 31.700 -0.050 0.000 0.790 349 E N -0.589 119.578 120.200 -0.055 0.000 2.065 349 E HA -0.229 4.119 4.350 -0.003 0.000 0.201 349 E C 2.056 178.627 176.600 -0.049 0.000 1.016 349 E CA 2.421 58.801 56.400 -0.033 0.000 0.818 349 E CB -1.714 27.975 29.700 -0.018 0.000 0.749 349 E HN 0.429 nan 8.360 nan 0.000 0.453 350 T N -1.535 112.970 114.554 -0.081 0.000 2.851 350 T HA 0.137 4.485 4.350 -0.003 0.000 0.262 350 T C 2.109 176.724 174.700 -0.141 0.000 1.043 350 T CA 0.887 62.931 62.100 -0.093 0.000 1.140 350 T CB -0.447 68.362 68.868 -0.099 0.000 0.872 350 T HN 0.193 nan 8.240 nan 0.000 0.446 351 A N 2.086 124.754 122.820 -0.253 0.000 1.865 351 A HA 0.143 4.461 4.320 -0.003 0.000 0.217 351 A C 2.397 179.896 177.584 -0.141 0.000 1.191 351 A CA 1.517 53.280 52.037 -0.457 0.000 0.623 351 A CB -1.039 17.494 19.000 -0.779 0.000 0.826 351 A HN 0.557 nan 8.150 nan 0.000 0.444 352 L N -1.171 120.036 121.223 -0.028 0.000 2.552 352 L HA 0.010 4.348 4.340 -0.003 0.000 0.227 352 L C 2.293 179.209 176.870 0.077 0.000 1.146 352 L CA 0.573 55.476 54.840 0.105 0.000 0.858 352 L CB -0.253 41.851 42.059 0.076 0.000 0.969 352 L HN 0.461 nan 8.230 nan 0.000 0.451 353 A N -1.860 120.980 122.820 0.034 0.000 2.390 353 A HA 0.016 4.334 4.320 -0.003 0.000 0.232 353 A C 0.568 178.173 177.584 0.035 0.000 1.233 353 A CA -0.192 51.863 52.037 0.029 0.000 0.907 353 A CB 0.026 19.030 19.000 0.008 0.000 0.967 353 A HN 0.188 nan 8.150 nan 0.000 0.512 354 D N 0.603 121.033 120.400 0.051 0.000 2.347 354 D HA 0.237 4.875 4.640 -0.003 0.000 0.235 354 D C -1.870 174.494 176.300 0.106 0.000 1.149 354 D CA -1.665 52.371 54.000 0.060 0.000 0.850 354 D CB 1.457 42.279 40.800 0.037 0.000 1.061 354 D HN -0.035 nan 8.370 nan 0.000 0.487 355 P HA -0.189 nan 4.420 nan 0.000 0.216 355 P C 1.023 178.370 177.300 0.078 0.000 1.154 355 P CA 1.336 64.474 63.100 0.063 0.000 0.865 355 P CB 0.428 32.150 31.700 0.038 0.000 0.789 356 Q N -2.236 117.614 119.800 0.083 0.000 2.119 356 Q HA -0.097 4.241 4.340 -0.003 0.000 0.201 356 Q C 1.915 178.004 176.000 0.149 0.000 0.972 356 Q CA 1.232 57.088 55.803 0.089 0.000 0.847 356 Q CB -1.188 27.583 28.738 0.055 0.000 0.903 356 Q HN 0.243 nan 8.270 nan 0.000 0.433 357 F N -0.173 119.792 119.950 0.025 0.000 2.113 357 F HA -0.152 4.373 4.527 -0.004 0.000 0.297 357 F C 1.843 177.739 175.800 0.161 0.000 1.103 357 F CA 0.837 58.877 58.000 0.067 0.000 1.248 357 F CB -0.264 38.731 39.000 -0.010 0.000 0.999 357 F HN -0.150 nan 8.300 nan 0.000 0.475 358 V N 0.533 120.542 119.914 0.159 0.000 2.332 358 V HA -0.340 3.778 4.120 -0.003 0.000 0.248 358 V C 2.699 178.781 176.094 -0.020 0.000 1.055 358 V CA 1.849 64.178 62.300 0.049 0.000 1.038 358 V CB -1.645 30.224 31.823 0.077 0.000 0.651 358 V HN 0.474 nan 8.190 nan 0.000 0.450 359 A N -1.039 121.793 122.820 0.021 0.000 1.898 359 A HA -0.258 4.060 4.320 -0.003 0.000 0.216 359 A C 1.945 179.523 177.584 -0.010 0.000 1.181 359 A CA 1.729 53.768 52.037 0.003 0.000 0.620 359 A CB -0.865 18.153 19.000 0.031 0.000 0.819 359 A HN 0.734 nan 8.150 nan 0.000 0.442 360 W N 0.813 122.001 121.300 -0.186 0.000 2.338 360 W HA -0.174 4.484 4.660 -0.003 0.000 0.304 360 W C 1.691 178.047 176.519 -0.272 0.000 1.212 360 W CA 1.910 59.124 57.345 -0.220 0.000 1.264 360 W CB -0.353 28.945 29.460 -0.269 0.000 1.142 360 W HN 0.247 nan 8.180 nan 0.000 0.512 361 L N 0.295 121.326 121.223 -0.321 0.000 2.042 361 L HA -0.141 4.197 4.340 -0.003 0.000 0.210 361 L C 2.503 179.140 176.870 -0.388 0.000 1.076 361 L CA 1.604 56.159 54.840 -0.474 0.000 0.749 361 L CB -1.388 40.485 42.059 -0.309 0.000 0.893 361 L HN 0.270 nan 8.230 nan 0.000 0.432 362 G N -1.926 106.721 108.800 -0.255 0.000 2.985 362 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.209 362 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.209 362 G C 0.276 175.058 174.900 -0.197 0.000 1.165 362 G CA -0.209 44.772 45.100 -0.197 0.000 0.776 362 G HN 0.152 nan 8.290 nan 0.000 0.541 363 D N 0.848 121.099 120.400 -0.248 0.000 2.352 363 D HA 0.063 4.701 4.640 -0.003 0.000 0.245 363 D C 1.186 177.347 176.300 -0.232 0.000 1.224 363 D CA -0.250 53.628 54.000 -0.202 0.000 0.879 363 D CB 0.985 41.678 40.800 -0.177 0.000 1.057 363 D HN 0.357 nan 8.370 nan 0.000 0.491 364 E N 1.782 121.886 120.200 -0.161 0.000 2.333 364 E HA -0.168 4.180 4.350 -0.003 0.000 0.198 364 E C 1.302 177.829 176.600 -0.121 0.000 1.007 364 E CA 1.102 57.417 56.400 -0.142 0.000 0.845 364 E CB 0.315 29.955 29.700 -0.099 0.000 0.766 364 E HN 0.551 nan 8.360 nan 0.000 0.507 365 T N -1.697 112.794 114.554 -0.105 0.000 3.100 365 T HA 0.075 4.423 4.350 -0.003 0.000 0.253 365 T C 0.606 175.262 174.700 -0.073 0.000 1.118 365 T CA -0.165 61.894 62.100 -0.067 0.000 1.058 365 T CB 0.187 69.033 68.868 -0.036 0.000 0.953 365 T HN -0.161 nan 8.240 nan 0.000 0.515 366 K N 2.897 123.202 120.400 -0.158 0.000 2.266 366 K HA 0.328 4.646 4.320 -0.003 0.000 0.274 366 K C -0.310 176.149 176.600 -0.236 0.000 1.090 366 K CA -0.358 55.815 56.287 -0.192 0.000 0.925 366 K CB 0.970 33.181 32.500 -0.482 0.000 1.225 366 K HN 0.197 nan 8.250 nan 0.000 0.458 367 K N 2.594 122.952 120.400 -0.070 0.000 2.322 367 K HA 0.194 4.512 4.320 -0.003 0.000 0.283 367 K C -0.034 176.574 176.600 0.014 0.000 1.042 367 K CA -0.375 55.890 56.287 -0.036 0.000 0.958 367 K CB 0.573 33.089 32.500 0.026 0.000 0.984 367 K HN 0.249 nan 8.250 nan 0.000 0.473 368 K N 0.616 121.006 120.400 -0.016 0.000 2.316 368 K HA 0.382 4.700 4.320 -0.003 0.000 0.251 368 K C -0.699 175.978 176.600 0.129 0.000 0.934 368 K CA -0.444 55.881 56.287 0.062 0.000 0.802 368 K CB 1.984 34.452 32.500 -0.054 0.000 1.171 368 K HN 0.300 nan 8.250 nan 0.000 0.426 369 S N 2.626 118.459 115.700 0.221 0.000 2.449 369 S HA 0.641 5.109 4.470 -0.003 0.000 0.310 369 S C -0.686 174.055 174.600 0.235 0.000 1.096 369 S CA -0.774 57.601 58.200 0.292 0.000 1.095 369 S CB 0.459 63.872 63.200 0.355 0.000 1.007 369 S HN 0.465 nan 8.310 nan 0.000 0.474 370 M N 1.899 121.591 119.600 0.154 0.000 2.948 370 M HA 0.597 5.075 4.480 -0.003 0.000 0.278 370 M C -1.655 174.688 176.300 0.072 0.000 1.293 370 M CA -0.748 54.618 55.300 0.109 0.000 0.777 370 M CB 1.579 34.209 32.600 0.049 0.000 1.713 370 M HN 0.586 nan 8.290 nan 0.000 0.444 371 F N 1.708 121.620 119.950 -0.064 0.000 2.539 371 F HA 0.375 4.900 4.527 -0.002 0.000 0.328 371 F C -0.528 175.223 175.800 -0.081 0.000 1.148 371 F CA -0.311 57.632 58.000 -0.095 0.000 0.940 371 F CB 0.839 39.799 39.000 -0.067 0.000 1.194 371 F HN 0.695 nan 8.300 nan 0.000 0.438 372 D N 3.380 123.532 120.400 -0.412 0.000 2.848 372 D HA -0.211 4.427 4.640 -0.003 0.000 0.245 372 D C 0.973 177.184 176.300 -0.148 0.000 1.122 372 D CA 1.025 54.867 54.000 -0.262 0.000 0.769 372 D CB -0.765 39.985 40.800 -0.083 0.000 1.025 372 D HN 0.631 nan 8.370 nan 0.000 0.423 373 S N 0.496 116.098 115.700 -0.163 0.000 2.423 373 S HA -0.220 4.248 4.470 -0.003 0.000 0.231 373 S C 1.865 176.366 174.600 -0.166 0.000 1.014 373 S CA 1.415 59.535 58.200 -0.132 0.000 0.965 373 S CB 0.026 63.152 63.200 -0.122 0.000 0.785 373 S HN 0.540 nan 8.310 nan 0.000 0.495 374 K N 1.785 122.075 120.400 -0.183 0.000 2.057 374 K HA -0.105 4.213 4.320 -0.003 0.000 0.207 374 K C 2.521 178.870 176.600 -0.418 0.000 1.049 374 K CA 1.249 57.412 56.287 -0.206 0.000 0.931 374 K CB -0.262 32.166 32.500 -0.120 0.000 0.714 374 K HN 0.461 nan 8.250 nan 0.000 0.440 375 R N 0.147 120.336 120.500 -0.519 0.000 2.083 375 R HA -0.159 4.179 4.340 -0.003 0.000 0.237 375 R C 2.087 178.057 176.300 -0.550 0.000 1.137 375 R CA 1.623 57.181 56.100 -0.902 0.000 0.951 375 R CB -0.389 29.673 30.300 -0.396 0.000 0.851 375 R HN 0.294 nan 8.270 nan 0.000 0.434 376 A N 0.712 123.368 122.820 -0.273 0.000 1.873 376 A HA -0.018 4.300 4.320 -0.003 0.000 0.215 376 A C 2.414 179.907 177.584 -0.153 0.000 1.186 376 A CA 1.473 53.420 52.037 -0.151 0.000 0.616 376 A CB -0.869 18.085 19.000 -0.076 0.000 0.823 376 A HN 0.554 nan 8.150 nan 0.000 0.442 377 A N -0.447 122.267 122.820 -0.177 0.000 1.883 377 A HA -0.072 4.246 4.320 -0.003 0.000 0.217 377 A C 2.254 179.737 177.584 -0.168 0.000 1.186 377 A CA 2.069 54.009 52.037 -0.161 0.000 0.624 377 A CB -1.032 17.876 19.000 -0.152 0.000 0.822 377 A HN 0.417 nan 8.150 nan 0.000 0.444 378 V N -0.308 119.499 119.914 -0.180 0.000 2.307 378 V HA -0.205 3.913 4.120 -0.003 0.000 0.245 378 V C 3.058 179.230 176.094 0.132 0.000 1.045 378 V CA 1.878 64.155 62.300 -0.038 0.000 1.024 378 V CB -1.282 30.579 31.823 0.063 0.000 0.651 378 V HN 0.622 nan 8.190 nan 0.000 0.449 379 A N -0.380 122.474 122.820 0.055 0.000 1.978 379 A HA -0.164 4.154 4.320 -0.003 0.000 0.220 379 A C 2.211 179.868 177.584 0.120 0.000 1.170 379 A CA 1.781 53.905 52.037 0.145 0.000 0.636 379 A CB -0.514 18.508 19.000 0.038 0.000 0.810 379 A HN 0.522 nan 8.150 nan 0.000 0.448 380 L N -1.165 120.064 121.223 0.009 0.000 2.131 380 L HA -0.120 4.218 4.340 -0.003 0.000 0.206 380 L C 2.516 179.331 176.870 -0.091 0.000 1.087 380 L CA 1.260 56.087 54.840 -0.021 0.000 0.767 380 L CB -0.335 41.692 42.059 -0.054 0.000 0.917 380 L HN 0.326 nan 8.230 nan 0.000 0.441 381 K N -0.557 119.700 120.400 -0.239 0.000 2.063 381 K HA -0.209 4.109 4.320 -0.003 0.000 0.208 381 K C 1.865 178.161 176.600 -0.506 0.000 1.048 381 K CA 1.743 57.661 56.287 -0.614 0.000 0.928 381 K CB -0.244 31.508 32.500 -1.247 0.000 0.713 381 K HN 0.263 nan 8.250 nan 0.000 0.442 382 W N 1.288 122.476 121.300 -0.186 0.000 2.468 382 W HA -0.092 4.566 4.660 -0.004 0.000 0.262 382 W C 1.337 177.889 176.519 0.054 0.000 1.241 382 W CA 0.715 58.125 57.345 0.109 0.000 1.232 382 W CB 0.193 29.750 29.460 0.161 0.000 1.124 382 W HN -0.043 nan 8.180 nan 0.000 0.597 383 K N -0.363 120.143 120.400 0.177 0.000 2.397 383 K HA 0.255 4.573 4.320 -0.003 0.000 0.202 383 K C 1.191 177.822 176.600 0.051 0.000 1.022 383 K CA 0.471 56.828 56.287 0.116 0.000 1.141 383 K CB 0.444 32.997 32.500 0.089 0.000 0.857 383 K HN 0.009 nan 8.250 nan 0.000 0.514 384 G N 2.078 110.879 108.800 0.002 0.000 2.221 384 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.265 384 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.265 384 G C -0.086 174.787 174.900 -0.044 0.000 1.041 384 G CA 0.071 45.154 45.100 -0.028 0.000 0.807 384 G HN 0.292 nan 8.290 nan 0.000 0.502 385 I N -0.005 120.524 120.570 -0.068 0.000 2.436 385 I HA 0.348 4.516 4.170 -0.003 0.000 0.289 385 I C 0.199 176.251 176.117 -0.108 0.000 1.010 385 I CA -0.782 60.482 61.300 -0.061 0.000 1.098 385 I CB 1.947 39.937 38.000 -0.017 0.000 1.266 385 I HN 0.207 nan 8.210 nan 0.000 0.434 386 E N 6.422 126.557 120.200 -0.108 0.000 2.200 386 E HA 0.340 4.688 4.350 -0.003 0.000 0.283 386 E C -1.488 175.028 176.600 -0.141 0.000 1.015 386 E CA -0.801 55.521 56.400 -0.131 0.000 0.819 386 E CB 1.574 31.205 29.700 -0.116 0.000 1.081 386 E HN 0.399 nan 8.360 nan 0.000 0.397 387 L N 5.898 127.030 121.223 -0.151 0.000 2.272 387 L HA 0.424 4.762 4.340 -0.003 0.000 0.289 387 L C -1.448 175.318 176.870 -0.174 0.000 1.032 387 L CA -0.162 54.575 54.840 -0.171 0.000 0.810 387 L CB 0.789 42.758 42.059 -0.150 0.000 1.205 387 L HN 0.682 nan 8.230 nan 0.000 0.422 388 C N 2.337 121.509 119.300 -0.212 0.000 3.044 388 C HA 0.823 5.281 4.460 -0.003 0.000 0.315 388 C C 1.093 175.946 174.990 -0.228 0.000 1.320 388 C CA -0.051 58.853 59.018 -0.189 0.000 1.582 388 C CB 1.388 29.026 27.740 -0.170 0.000 2.039 388 C HN 1.094 nan 8.230 nan 0.000 0.466 389 G N 0.356 109.051 108.800 -0.174 0.000 2.148 389 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.254 389 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.254 389 G C -0.093 174.730 174.900 -0.129 0.000 0.981 389 G CA 0.304 45.304 45.100 -0.167 0.000 0.670 389 G HN 0.882 nan 8.290 nan 0.000 0.528 390 V N 2.165 122.013 119.914 -0.110 0.000 2.403 390 V HA 0.348 4.466 4.120 -0.003 0.000 0.265 390 V C 1.626 177.706 176.094 -0.022 0.000 1.034 390 V CA 1.050 63.311 62.300 -0.065 0.000 1.036 390 V CB 0.907 32.683 31.823 -0.078 0.000 1.032 390 V HN 0.809 nan 8.190 nan 0.000 0.478 391 S N 4.105 119.822 115.700 0.028 0.000 2.535 391 S HA 0.242 4.710 4.470 -0.003 0.000 0.214 391 S C -0.066 174.635 174.600 0.168 0.000 0.980 391 S CA -0.107 58.133 58.200 0.067 0.000 0.907 391 S CB 0.079 63.316 63.200 0.061 0.000 0.790 391 S HN 0.569 nan 8.310 nan 0.000 0.510 392 F N 1.521 121.457 119.950 -0.023 0.000 2.605 392 F HA 0.501 5.026 4.527 -0.003 0.000 0.320 392 F C -2.149 173.633 175.800 -0.030 0.000 1.159 392 F CA -0.963 57.025 58.000 -0.020 0.000 0.999 392 F CB 1.661 40.653 39.000 -0.014 0.000 1.258 392 F HN -0.043 nan 8.300 nan 0.000 0.464 393 D N 6.307 126.224 120.400 -0.804 0.000 2.462 393 D HA 0.158 4.796 4.640 -0.003 0.000 0.245 393 D C 0.648 176.353 176.300 -0.991 0.000 1.122 393 D CA -0.283 53.313 54.000 -0.672 0.000 0.864 393 D CB 1.726 42.288 40.800 -0.397 0.000 1.098 393 D HN 0.690 nan 8.370 nan 0.000 0.541 394 L N 5.226 125.942 121.223 -0.844 0.000 2.079 394 L HA -0.131 4.207 4.340 -0.003 0.000 0.210 394 L C 1.886 178.487 176.870 -0.449 0.000 1.081 394 L CA 1.538 56.032 54.840 -0.577 0.000 0.752 394 L CB -0.612 41.397 42.059 -0.082 0.000 0.896 394 L HN 0.530 nan 8.230 nan 0.000 0.433 395 L N -0.886 119.886 121.223 -0.752 0.000 1.994 395 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 395 L C 2.278 178.943 176.870 -0.342 0.000 1.071 395 L CA 1.903 56.236 54.840 -0.846 0.000 0.745 395 L CB -0.697 40.588 42.059 -1.290 0.000 0.892 395 L HN 0.283 nan 8.230 nan 0.000 0.431 396 L N -0.543 120.486 121.223 -0.324 0.000 2.083 396 L HA -0.148 4.190 4.340 -0.003 0.000 0.209 396 L C 2.683 179.555 176.870 0.003 0.000 1.083 396 L CA 1.031 55.798 54.840 -0.121 0.000 0.752 396 L CB -1.012 40.956 42.059 -0.152 0.000 0.899 396 L HN 0.414 nan 8.230 nan 0.000 0.433 397 A N 0.279 123.044 122.820 -0.092 0.000 1.877 397 A HA -0.162 4.156 4.320 -0.003 0.000 0.216 397 A C 2.575 180.333 177.584 0.290 0.000 1.186 397 A CA 1.741 53.845 52.037 0.112 0.000 0.620 397 A CB -0.731 18.358 19.000 0.148 0.000 0.822 397 A HN 0.378 nan 8.150 nan 0.000 0.443 398 A N -1.372 121.625 122.820 0.296 0.000 1.883 398 A HA -0.154 4.164 4.320 -0.003 0.000 0.217 398 A C 2.159 179.912 177.584 0.281 0.000 1.186 398 A CA 1.824 54.112 52.037 0.418 0.000 0.624 398 A CB -0.954 18.257 19.000 0.351 0.000 0.822 398 A HN 0.765 nan 8.150 nan 0.000 0.444 399 Y N 0.645 120.994 120.300 0.083 0.000 2.114 399 Y HA -0.217 4.331 4.550 -0.004 0.000 0.282 399 Y C 1.971 177.911 175.900 0.067 0.000 1.165 399 Y CA 1.978 60.113 58.100 0.059 0.000 1.148 399 Y CB -0.400 38.065 38.460 0.008 0.000 0.972 399 Y HN 0.226 nan 8.280 nan 0.000 0.504 400 L N -0.705 120.537 121.223 0.032 0.000 2.093 400 L HA -0.235 4.103 4.340 -0.003 0.000 0.208 400 L C 2.487 179.327 176.870 -0.051 0.000 1.085 400 L CA 1.121 55.916 54.840 -0.075 0.000 0.755 400 L CB -0.616 41.465 42.059 0.038 0.000 0.904 400 L HN 0.291 nan 8.230 nan 0.000 0.435 401 L N -0.939 120.309 121.223 0.041 0.000 2.093 401 L HA -0.096 4.242 4.340 -0.003 0.000 0.208 401 L C 0.294 177.217 176.870 0.088 0.000 1.085 401 L CA 0.940 55.806 54.840 0.044 0.000 0.755 401 L CB -0.039 42.041 42.059 0.035 0.000 0.904 401 L HN 0.262 nan 8.230 nan 0.000 0.435 402 D N -1.936 118.507 120.400 0.072 0.000 2.362 402 D HA 0.085 4.723 4.640 -0.003 0.000 0.228 402 D C -2.065 174.268 176.300 0.056 0.000 1.326 402 D CA -1.022 53.043 54.000 0.109 0.000 0.927 402 D CB 1.153 42.022 40.800 0.115 0.000 1.501 402 D HN -0.203 nan 8.370 nan 0.000 0.519 403 P HA -0.041 nan 4.420 nan 0.000 0.223 403 P C 1.110 178.466 177.300 0.092 0.000 1.151 403 P CA 0.460 63.541 63.100 -0.031 0.000 0.787 403 P CB 0.344 31.889 31.700 -0.258 0.000 0.788 404 A N 0.015 122.885 122.820 0.082 0.000 2.066 404 A HA -0.160 4.158 4.320 -0.003 0.000 0.218 404 A C 2.346 179.982 177.584 0.087 0.000 1.157 404 A CA 1.227 53.315 52.037 0.085 0.000 0.670 404 A CB -1.088 17.964 19.000 0.087 0.000 0.804 404 A HN 0.090 nan 8.150 nan 0.000 0.453 405 Q N -0.394 119.465 119.800 0.098 0.000 2.364 405 Q HA 0.087 4.425 4.340 -0.003 0.000 0.207 405 Q C 1.236 177.305 176.000 0.116 0.000 0.970 405 Q CA 0.983 56.845 55.803 0.099 0.000 0.888 405 Q CB -0.742 28.063 28.738 0.111 0.000 0.951 405 Q HN 0.958 nan 8.270 nan 0.000 0.469 406 G N -0.225 108.657 108.800 0.137 0.000 2.249 406 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.273 406 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.273 406 G C -0.180 174.814 174.900 0.156 0.000 1.036 406 G CA 0.299 45.482 45.100 0.140 0.000 0.824 406 G HN 0.267 nan 8.290 nan 0.000 0.504 407 V N 1.465 121.492 119.914 0.190 0.000 2.475 407 V HA 0.262 4.380 4.120 -0.003 0.000 0.292 407 V C 1.107 177.352 176.094 0.253 0.000 1.003 407 V CA 1.259 63.694 62.300 0.225 0.000 1.120 407 V CB 0.986 32.969 31.823 0.267 0.000 0.937 407 V HN 0.649 nan 8.190 nan 0.000 0.476 408 D N 2.398 122.957 120.400 0.264 0.000 2.556 408 D HA 0.156 4.794 4.640 -0.003 0.000 0.237 408 D C -0.223 176.288 176.300 0.352 0.000 1.296 408 D CA -0.193 53.988 54.000 0.301 0.000 0.807 408 D CB 0.535 41.445 40.800 0.184 0.000 1.084 408 D HN 0.645 nan 8.370 nan 0.000 0.510 409 D N -1.641 118.909 120.400 0.250 0.000 2.648 409 D HA 0.051 4.689 4.640 -0.003 0.000 0.244 409 D C 0.901 176.844 176.300 -0.595 0.000 1.244 409 D CA -0.765 53.088 54.000 -0.245 0.000 0.772 409 D CB 1.347 42.104 40.800 -0.072 0.000 1.379 409 D HN -0.244 nan 8.370 nan 0.000 0.428 410 V N 0.989 120.281 119.914 -1.038 0.000 2.324 410 V HA -0.239 3.879 4.120 -0.003 0.000 0.250 410 V C 2.647 178.621 176.094 -0.199 0.000 1.060 410 V CA 2.964 64.865 62.300 -0.665 0.000 1.042 410 V CB -1.154 30.365 31.823 -0.508 0.000 0.650 410 V HN 0.800 nan 8.190 nan 0.000 0.450 411 A N -0.053 122.705 122.820 -0.103 0.000 1.883 411 A HA -0.169 4.149 4.320 -0.003 0.000 0.217 411 A C 2.453 180.077 177.584 0.067 0.000 1.186 411 A CA 2.315 54.368 52.037 0.026 0.000 0.624 411 A CB -0.871 18.156 19.000 0.044 0.000 0.822 411 A HN 0.607 nan 8.150 nan 0.000 0.444 412 A N -0.266 122.591 122.820 0.062 0.000 1.902 412 A HA 0.137 4.455 4.320 -0.003 0.000 0.217 412 A C 2.517 180.201 177.584 0.168 0.000 1.181 412 A CA 2.256 54.362 52.037 0.115 0.000 0.623 412 A CB -1.025 18.052 19.000 0.129 0.000 0.818 412 A HN 1.075 nan 8.150 nan 0.000 0.443 413 A N -0.187 122.744 122.820 0.185 0.000 1.873 413 A HA 0.194 4.512 4.320 -0.003 0.000 0.215 413 A C 2.524 180.282 177.584 0.291 0.000 1.186 413 A CA 2.047 54.241 52.037 0.263 0.000 0.616 413 A CB -1.091 18.030 19.000 0.201 0.000 0.823 413 A HN 1.098 nan 8.150 nan 0.000 0.442 414 A N -0.236 122.682 122.820 0.164 0.000 1.940 414 A HA -0.195 4.123 4.320 -0.003 0.000 0.219 414 A C 2.095 179.843 177.584 0.274 0.000 1.176 414 A CA 2.036 54.193 52.037 0.199 0.000 0.631 414 A CB -0.471 18.624 19.000 0.159 0.000 0.814 414 A HN 0.553 nan 8.150 nan 0.000 0.446 415 K N -0.862 119.667 120.400 0.215 0.000 2.280 415 K HA -0.047 4.271 4.320 -0.003 0.000 0.202 415 K C 1.835 178.531 176.600 0.160 0.000 1.047 415 K CA 1.230 57.620 56.287 0.172 0.000 0.942 415 K CB -0.243 32.331 32.500 0.125 0.000 0.739 415 K HN 0.536 nan 8.250 nan 0.000 0.457 416 M N 0.227 119.947 119.600 0.201 0.000 2.279 416 M HA -0.105 4.373 4.480 -0.003 0.000 0.264 416 M C 0.870 177.221 176.300 0.086 0.000 1.062 416 M CA 1.295 56.678 55.300 0.138 0.000 1.099 416 M CB 0.305 33.014 32.600 0.181 0.000 1.394 416 M HN -0.118 nan 8.290 nan 0.000 0.426 417 K N 0.405 120.905 120.400 0.167 0.000 2.593 417 K HA 0.144 4.462 4.320 -0.003 0.000 0.208 417 K C -0.037 176.656 176.600 0.156 0.000 1.051 417 K CA 0.096 56.462 56.287 0.132 0.000 1.111 417 K CB 0.612 33.229 32.500 0.194 0.000 0.849 417 K HN 0.209 nan 8.250 nan 0.000 0.479 418 Q N -0.908 118.974 119.800 0.137 0.000 2.480 418 Q HA -0.266 4.072 4.340 -0.003 0.000 0.265 418 Q C -0.680 175.407 176.000 0.146 0.000 1.072 418 Q CA 0.911 56.781 55.803 0.111 0.000 1.018 418 Q CB -2.907 25.871 28.738 0.067 0.000 1.433 418 Q HN 0.460 nan 8.270 nan 0.000 0.513 419 Y N 0.576 120.922 120.300 0.076 0.000 2.335 419 Y HA 0.341 4.892 4.550 0.002 0.000 0.339 419 Y C 0.704 176.641 175.900 0.061 0.000 0.987 419 Y CA -0.428 57.715 58.100 0.072 0.000 1.140 419 Y CB 0.863 39.380 38.460 0.095 0.000 1.173 419 Y HN 0.037 nan 8.280 nan 0.000 0.486 420 E N 3.784 123.926 120.200 -0.098 0.000 2.876 420 E HA 0.259 4.607 4.350 -0.003 0.000 0.208 420 E C 0.136 176.685 176.600 -0.084 0.000 0.981 420 E CA -0.108 56.288 56.400 -0.007 0.000 1.174 420 E CB 0.783 30.479 29.700 -0.007 0.000 1.047 420 E HN 0.624 nan 8.360 nan 0.000 0.477 421 A N 1.410 124.060 122.820 -0.283 0.000 2.840 421 A HA 0.326 4.644 4.320 -0.003 0.000 0.269 421 A C -0.002 177.639 177.584 0.095 0.000 1.439 421 A CA -0.031 51.907 52.037 -0.164 0.000 1.083 421 A CB 0.048 18.833 19.000 -0.358 0.000 1.019 421 A HN 0.117 nan 8.150 nan 0.000 0.607 422 V N -0.383 119.608 119.914 0.129 0.000 3.023 422 V HA 0.421 4.539 4.120 -0.003 0.000 0.294 422 V C -1.109 175.053 176.094 0.112 0.000 1.324 422 V CA -0.990 61.401 62.300 0.151 0.000 0.979 422 V CB 1.937 33.874 31.823 0.189 0.000 1.093 422 V HN 0.665 nan 8.190 nan 0.000 0.434 423 R N 5.214 125.785 120.500 0.118 0.000 2.500 423 R HA 0.555 4.893 4.340 -0.003 0.000 0.275 423 R C -2.574 173.766 176.300 0.066 0.000 1.051 423 R CA -1.635 54.489 56.100 0.041 0.000 1.088 423 R CB 0.893 31.148 30.300 -0.074 0.000 1.063 423 R HN 0.492 nan 8.270 nan 0.000 0.511 424 P HA 0.010 nan 4.420 nan 0.000 0.271 424 P C -0.267 177.020 177.300 -0.022 0.000 1.218 424 P CA -0.153 62.958 63.100 0.019 0.000 0.780 424 P CB 0.627 32.333 31.700 0.010 0.000 0.901 425 D N 1.330 121.767 120.400 0.061 0.000 2.149 425 D HA -0.196 4.442 4.640 -0.003 0.000 0.198 425 D C 1.546 177.865 176.300 0.032 0.000 0.990 425 D CA 1.375 55.435 54.000 0.101 0.000 0.839 425 D CB -0.145 40.843 40.800 0.313 0.000 0.948 425 D HN 0.601 nan 8.370 nan 0.000 0.460 426 E N 0.362 120.593 120.200 0.051 0.000 2.110 426 E HA -0.153 4.195 4.350 -0.003 0.000 0.193 426 E C 1.931 178.514 176.600 -0.030 0.000 0.988 426 E CA 0.944 57.370 56.400 0.044 0.000 0.804 426 E CB 0.053 29.778 29.700 0.042 0.000 0.745 426 E HN 0.183 nan 8.360 nan 0.000 0.458 427 A N 0.151 122.919 122.820 -0.086 0.000 1.969 427 A HA -0.087 4.231 4.320 -0.003 0.000 0.218 427 A C 2.243 179.700 177.584 -0.212 0.000 1.169 427 A CA 1.139 53.104 52.037 -0.120 0.000 0.635 427 A CB -0.158 18.775 19.000 -0.112 0.000 0.810 427 A HN 0.208 nan 8.150 nan 0.000 0.445 428 V N -1.979 117.703 119.914 -0.387 0.000 2.426 428 V HA -0.126 3.992 4.120 -0.003 0.000 0.242 428 V C 2.103 177.918 176.094 -0.465 0.000 1.036 428 V CA 1.404 63.342 62.300 -0.602 0.000 1.044 428 V CB -0.928 30.156 31.823 -1.231 0.000 0.688 428 V HN 0.628 nan 8.190 nan 0.000 0.462 429 Y N 0.830 121.072 120.300 -0.096 0.000 2.500 429 Y HA 0.506 5.055 4.550 -0.002 0.000 0.270 429 Y C 1.575 177.459 175.900 -0.027 0.000 1.134 429 Y CA 0.214 58.289 58.100 -0.041 0.000 1.293 429 Y CB -0.555 37.899 38.460 -0.010 0.000 1.063 429 Y HN 0.353 nan 8.280 nan 0.000 0.534 430 G N 1.279 110.128 108.800 0.081 0.000 2.681 430 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.220 430 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.220 430 G C -0.661 174.281 174.900 0.069 0.000 1.353 430 G CA -0.289 44.843 45.100 0.053 0.000 0.872 430 G HN 0.410 nan 8.290 nan 0.000 0.557 431 K N -1.028 119.400 120.400 0.046 0.000 2.532 431 K HA 0.730 5.048 4.320 -0.003 0.000 0.265 431 K C 0.823 177.440 176.600 0.028 0.000 0.948 431 K CA 0.089 56.401 56.287 0.041 0.000 0.842 431 K CB 1.637 34.158 32.500 0.036 0.000 1.392 431 K HN 2.611 nan 8.250 nan 0.000 0.436 432 G N 1.335 110.149 108.800 0.023 0.000 2.583 432 G HA2 -0.429 3.529 3.960 -0.003 0.000 0.292 432 G HA3 -0.429 3.529 3.960 -0.003 0.000 0.292 432 G C 0.983 175.890 174.900 0.012 0.000 1.203 432 G CA 1.222 46.331 45.100 0.014 0.000 0.987 432 G HN 1.157 nan 8.290 nan 0.000 0.554 433 A N 0.020 122.846 122.820 0.010 0.000 1.908 433 A HA -0.016 4.302 4.320 -0.003 0.000 0.218 433 A C 2.261 179.853 177.584 0.012 0.000 1.181 433 A CA 3.069 55.111 52.037 0.008 0.000 0.627 433 A CB -0.555 18.449 19.000 0.006 0.000 0.818 433 A HN 1.210 nan 8.150 nan 0.000 0.445 434 K N -0.040 120.369 120.400 0.015 0.000 2.280 434 K HA -0.128 4.190 4.320 -0.003 0.000 0.202 434 K C 1.092 177.710 176.600 0.030 0.000 1.047 434 K CA 0.367 56.666 56.287 0.019 0.000 0.942 434 K CB -0.181 32.329 32.500 0.016 0.000 0.739 434 K HN 0.425 nan 8.250 nan 0.000 0.457 435 R N 0.549 121.069 120.500 0.034 0.000 2.585 435 R HA 0.120 4.458 4.340 -0.003 0.000 0.275 435 R C -1.165 175.164 176.300 0.049 0.000 1.018 435 R CA 0.617 56.748 56.100 0.052 0.000 1.072 435 R CB 0.452 30.775 30.300 0.038 0.000 0.953 435 R HN 0.321 nan 8.270 nan 0.000 0.419 436 A N 3.041 125.911 122.820 0.083 0.000 2.581 436 A HA 0.301 4.619 4.320 -0.003 0.000 0.294 436 A C -1.431 176.240 177.584 0.146 0.000 1.035 436 A CA -0.839 51.243 52.037 0.074 0.000 0.684 436 A CB 1.103 20.134 19.000 0.053 0.000 1.282 436 A HN 0.442 nan 8.150 nan 0.000 0.417 437 V N 3.513 123.497 119.914 0.116 0.000 2.530 437 V HA 0.423 4.541 4.120 -0.003 0.000 0.282 437 V C -1.224 174.955 176.094 0.141 0.000 1.048 437 V CA -0.538 61.873 62.300 0.184 0.000 0.997 437 V CB 0.553 32.441 31.823 0.108 0.000 0.987 437 V HN 0.886 nan 8.190 nan 0.000 0.477 438 P HA 0.260 nan 4.420 nan 0.000 0.279 438 P C -0.635 176.691 177.300 0.044 0.000 1.282 438 P CA -0.632 62.501 63.100 0.055 0.000 0.788 438 P CB 0.722 32.420 31.700 -0.003 0.000 1.139 439 D N -0.045 120.364 120.400 0.014 0.000 2.382 439 D HA -0.028 4.610 4.640 -0.003 0.000 0.240 439 D C 1.308 177.602 176.300 -0.010 0.000 1.146 439 D CA 0.005 54.010 54.000 0.008 0.000 0.897 439 D CB 0.751 41.550 40.800 -0.002 0.000 1.197 439 D HN 0.502 nan 8.370 nan 0.000 0.432 440 E N 1.366 121.558 120.200 -0.012 0.000 2.086 440 E HA -0.208 4.140 4.350 -0.003 0.000 0.205 440 E C -0.825 175.687 176.600 -0.147 0.000 1.027 440 E CA 1.459 57.817 56.400 -0.070 0.000 0.830 440 E CB -0.400 29.284 29.700 -0.027 0.000 0.751 440 E HN 0.359 nan 8.360 nan 0.000 0.456 441 P HA -0.155 nan 4.420 nan 0.000 0.215 441 P C 1.598 178.870 177.300 -0.046 0.000 1.153 441 P CA 1.274 64.347 63.100 -0.046 0.000 0.853 441 P CB -0.044 31.643 31.700 -0.020 0.000 0.788 442 V N 0.492 120.374 119.914 -0.053 0.000 2.358 442 V HA -0.179 3.939 4.120 -0.003 0.000 0.246 442 V C 2.795 178.845 176.094 -0.074 0.000 1.047 442 V CA 1.230 63.495 62.300 -0.058 0.000 1.035 442 V CB -1.160 30.625 31.823 -0.063 0.000 0.658 442 V HN 0.038 nan 8.190 nan 0.000 0.452 443 L N 0.092 121.269 121.223 -0.076 0.000 1.994 443 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 443 L C 2.637 179.421 176.870 -0.144 0.000 1.071 443 L CA 2.029 56.852 54.840 -0.029 0.000 0.745 443 L CB -0.605 41.474 42.059 0.032 0.000 0.892 443 L HN 0.371 nan 8.230 nan 0.000 0.431 444 A N -0.352 122.191 122.820 -0.463 0.000 1.883 444 A HA -0.317 4.001 4.320 -0.003 0.000 0.217 444 A C 2.171 179.376 177.584 -0.632 0.000 1.186 444 A CA 2.085 53.596 52.037 -0.876 0.000 0.624 444 A CB -0.703 17.605 19.000 -1.153 0.000 0.822 444 A HN 0.615 nan 8.150 nan 0.000 0.444 445 E N -1.470 118.523 120.200 -0.345 0.000 2.150 445 E HA -0.275 4.073 4.350 -0.003 0.000 0.193 445 E C 1.887 178.411 176.600 -0.127 0.000 0.985 445 E CA 1.303 57.567 56.400 -0.226 0.000 0.814 445 E CB -0.206 29.537 29.700 0.072 0.000 0.752 445 E HN 0.789 nan 8.360 nan 0.000 0.466 446 H N 0.746 119.713 119.070 -0.171 0.000 2.293 446 H HA -0.064 4.490 4.556 -0.005 0.000 0.300 446 H C 2.002 177.277 175.328 -0.088 0.000 1.082 446 H CA 1.914 57.888 56.048 -0.124 0.000 1.308 446 H CB -0.349 29.320 29.762 -0.156 0.000 1.375 446 H HN 0.145 nan 8.280 nan 0.000 0.495 447 L N -0.541 120.582 121.223 -0.168 0.000 2.131 447 L HA -0.137 4.201 4.340 -0.003 0.000 0.210 447 L C 2.549 179.333 176.870 -0.144 0.000 1.092 447 L CA 0.976 55.725 54.840 -0.151 0.000 0.759 447 L CB -0.484 41.616 42.059 0.069 0.000 0.903 447 L HN 0.205 nan 8.230 nan 0.000 0.435 448 V N -0.139 119.649 119.914 -0.210 0.000 2.358 448 V HA -0.221 3.897 4.120 -0.003 0.000 0.246 448 V C 2.630 178.658 176.094 -0.110 0.000 1.047 448 V CA 1.568 63.741 62.300 -0.212 0.000 1.035 448 V CB -0.505 31.028 31.823 -0.484 0.000 0.658 448 V HN 0.397 nan 8.190 nan 0.000 0.452 449 R N -0.141 120.301 120.500 -0.096 0.000 2.096 449 R HA -0.114 4.224 4.340 -0.003 0.000 0.235 449 R C 2.416 178.704 176.300 -0.020 0.000 1.127 449 R CA 1.203 57.302 56.100 -0.003 0.000 0.968 449 R CB -0.225 30.100 30.300 0.042 0.000 0.861 449 R HN 0.486 nan 8.270 nan 0.000 0.440 450 K N 0.166 120.484 120.400 -0.137 0.000 2.025 450 K HA -0.070 4.248 4.320 -0.003 0.000 0.207 450 K C 2.154 178.715 176.600 -0.065 0.000 1.049 450 K CA 1.337 57.531 56.287 -0.155 0.000 0.933 450 K CB -0.138 32.190 32.500 -0.287 0.000 0.714 450 K HN 0.124 nan 8.250 nan 0.000 0.438 451 A N 1.667 124.467 122.820 -0.035 0.000 1.933 451 A HA -0.109 4.209 4.320 -0.003 0.000 0.218 451 A C 2.395 180.024 177.584 0.076 0.000 1.175 451 A CA 1.840 53.899 52.037 0.035 0.000 0.628 451 A CB -0.592 18.424 19.000 0.028 0.000 0.814 451 A HN 0.336 nan 8.150 nan 0.000 0.444 452 A N -0.116 122.736 122.820 0.054 0.000 1.902 452 A HA 0.156 4.474 4.320 -0.003 0.000 0.217 452 A C 2.501 180.144 177.584 0.099 0.000 1.181 452 A CA 2.083 54.188 52.037 0.114 0.000 0.623 452 A CB -0.987 18.088 19.000 0.125 0.000 0.818 452 A HN 1.035 nan 8.150 nan 0.000 0.443 453 A N -0.030 122.770 122.820 -0.033 0.000 1.877 453 A HA -0.081 4.237 4.320 -0.003 0.000 0.216 453 A C 2.124 179.579 177.584 -0.216 0.000 1.186 453 A CA 1.515 53.327 52.037 -0.375 0.000 0.620 453 A CB -0.619 18.172 19.000 -0.349 0.000 0.822 453 A HN 0.492 nan 8.150 nan 0.000 0.443 454 I N -1.733 118.819 120.570 -0.031 0.000 2.163 454 I HA -0.307 3.861 4.170 -0.003 0.000 0.243 454 I C 2.541 178.733 176.117 0.124 0.000 1.085 454 I CA 1.607 62.952 61.300 0.075 0.000 1.347 454 I CB -0.376 37.722 38.000 0.163 0.000 1.044 454 I HN 0.713 nan 8.210 nan 0.000 0.408 455 W N 2.098 123.380 121.300 -0.030 0.000 2.318 455 W HA -0.317 4.339 4.660 -0.008 0.000 0.313 455 W C 2.458 178.943 176.519 -0.057 0.000 1.221 455 W CA 2.215 59.546 57.345 -0.022 0.000 1.266 455 W CB -0.062 29.403 29.460 0.009 0.000 1.150 455 W HN 0.193 nan 8.180 nan 0.000 0.496 456 E N 0.580 120.810 120.200 0.049 0.000 2.107 456 E HA -0.172 4.176 4.350 -0.003 0.000 0.191 456 E C 2.179 178.709 176.600 -0.117 0.000 0.982 456 E CA 1.667 58.033 56.400 -0.057 0.000 0.809 456 E CB -0.894 28.814 29.700 0.013 0.000 0.756 456 E HN 0.352 nan 8.360 nan 0.000 0.459 457 L N 0.486 121.630 121.223 -0.133 0.000 2.492 457 L HA 0.083 4.420 4.340 -0.003 0.000 0.223 457 L C 2.427 179.271 176.870 -0.044 0.000 1.132 457 L CA 0.612 55.434 54.840 -0.030 0.000 0.850 457 L CB -0.340 41.677 42.059 -0.070 0.000 0.966 457 L HN 0.241 nan 8.230 nan 0.000 0.454 458 E N 1.009 121.035 120.200 -0.290 0.000 2.049 458 E HA -0.329 4.019 4.350 -0.003 0.000 0.198 458 E C 2.270 178.573 176.600 -0.494 0.000 1.007 458 E CA 1.669 57.611 56.400 -0.764 0.000 0.809 458 E CB 0.107 29.284 29.700 -0.871 0.000 0.749 458 E HN 0.209 nan 8.360 nan 0.000 0.450 459 R N 0.468 120.777 120.500 -0.317 0.000 2.080 459 R HA -0.095 4.243 4.340 -0.003 0.000 0.236 459 R C -0.874 175.379 176.300 -0.078 0.000 1.137 459 R CA 2.075 58.056 56.100 -0.198 0.000 0.943 459 R CB -1.374 28.820 30.300 -0.177 0.000 0.846 459 R HN 0.239 nan 8.270 nan 0.000 0.431 460 P HA -0.094 nan 4.420 nan 0.000 0.215 460 P C 0.921 178.243 177.300 0.037 0.000 1.153 460 P CA 1.310 64.425 63.100 0.025 0.000 0.853 460 P CB -0.134 31.611 31.700 0.075 0.000 0.788 461 F N -1.036 118.908 119.950 -0.011 0.000 2.146 461 F HA -0.098 4.426 4.527 -0.005 0.000 0.298 461 F C 2.268 178.114 175.800 0.076 0.000 1.096 461 F CA 1.235 59.285 58.000 0.084 0.000 1.275 461 F CB -1.200 37.953 39.000 0.254 0.000 1.008 461 F HN -0.201 nan 8.300 nan 0.000 0.480 462 L N -0.567 120.755 121.223 0.164 0.000 2.093 462 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 462 L C 2.016 178.907 176.870 0.035 0.000 1.085 462 L CA 1.148 56.044 54.840 0.093 0.000 0.755 462 L CB -0.629 41.412 42.059 -0.030 0.000 0.904 462 L HN 0.056 nan 8.230 nan 0.000 0.435 463 D N -0.219 120.180 120.400 -0.003 0.000 2.117 463 D HA -0.213 4.425 4.640 -0.003 0.000 0.198 463 D C 2.034 178.318 176.300 -0.026 0.000 0.982 463 D CA 1.098 55.085 54.000 -0.021 0.000 0.828 463 D CB 0.052 40.832 40.800 -0.034 0.000 0.967 463 D HN 0.356 nan 8.370 nan 0.000 0.464 464 E N 0.154 120.328 120.200 -0.043 0.000 2.106 464 E HA -0.092 4.256 4.350 -0.003 0.000 0.192 464 E C 2.285 178.864 176.600 -0.036 0.000 0.984 464 E CA 0.271 56.631 56.400 -0.066 0.000 0.806 464 E CB 0.011 29.627 29.700 -0.139 0.000 0.750 464 E HN 0.196 nan 8.360 nan 0.000 0.458 465 L N 0.375 121.600 121.223 0.004 0.000 2.046 465 L HA -0.193 4.145 4.340 -0.003 0.000 0.208 465 L C 2.795 179.669 176.870 0.007 0.000 1.077 465 L CA 1.222 56.078 54.840 0.027 0.000 0.747 465 L CB -0.362 41.751 42.059 0.091 0.000 0.896 465 L HN 0.080 nan 8.230 nan 0.000 0.432 466 R N 0.512 121.016 120.500 0.006 0.000 2.083 466 R HA -0.198 4.140 4.340 -0.003 0.000 0.237 466 R C 2.318 178.603 176.300 -0.025 0.000 1.137 466 R CA 1.666 57.761 56.100 -0.007 0.000 0.951 466 R CB -0.355 29.941 30.300 -0.007 0.000 0.851 466 R HN 0.082 nan 8.270 nan 0.000 0.434 467 R N -0.122 120.362 120.500 -0.027 0.000 2.091 467 R HA -0.049 4.289 4.340 -0.003 0.000 0.238 467 R C 1.404 177.680 176.300 -0.041 0.000 1.136 467 R CA 1.906 57.987 56.100 -0.031 0.000 0.959 467 R CB -0.257 30.024 30.300 -0.032 0.000 0.856 467 R HN 0.280 nan 8.270 nan 0.000 0.437 468 N N 0.712 119.382 118.700 -0.049 0.000 2.521 468 N HA -0.057 4.681 4.740 -0.003 0.000 0.188 468 N C -0.581 174.880 175.510 -0.081 0.000 1.146 468 N CA 0.557 53.565 53.050 -0.070 0.000 0.893 468 N CB 0.299 38.737 38.487 -0.081 0.000 0.975 468 N HN 0.221 nan 8.380 nan 0.000 0.451 469 E N -0.790 119.360 120.200 -0.082 0.000 2.694 469 E HA -0.259 4.089 4.350 -0.003 0.000 0.272 469 E C -0.285 176.272 176.600 -0.071 0.000 1.040 469 E CA 0.276 56.595 56.400 -0.134 0.000 0.809 469 E CB -1.521 27.993 29.700 -0.309 0.000 1.389 469 E HN 0.527 nan 8.360 nan 0.000 0.413 470 Q N -0.440 119.356 119.800 -0.006 0.000 2.179 470 Q HA -0.005 4.333 4.340 -0.003 0.000 0.213 470 Q C 1.298 177.332 176.000 0.058 0.000 0.833 470 Q CA 0.243 56.074 55.803 0.046 0.000 0.990 470 Q CB 0.481 29.239 28.738 0.034 0.000 1.132 470 Q HN 0.362 nan 8.270 nan 0.000 0.493 471 D N 1.037 121.464 120.400 0.046 0.000 2.117 471 D HA -0.205 4.433 4.640 -0.003 0.000 0.198 471 D C 1.533 177.870 176.300 0.061 0.000 0.982 471 D CA 0.986 55.021 54.000 0.058 0.000 0.828 471 D CB -0.091 40.733 40.800 0.040 0.000 0.967 471 D HN 0.171 nan 8.370 nan 0.000 0.464 472 R N 0.148 120.684 120.500 0.060 0.000 2.115 472 R HA 0.111 4.449 4.340 -0.003 0.000 0.226 472 R C 2.675 179.011 176.300 0.061 0.000 1.100 472 R CA 0.173 56.309 56.100 0.059 0.000 0.980 472 R CB -0.353 29.987 30.300 0.066 0.000 0.875 472 R HN 0.216 nan 8.270 nan 0.000 0.445 473 L N 1.036 122.304 121.223 0.076 0.000 2.079 473 L HA -0.200 4.138 4.340 -0.003 0.000 0.210 473 L C 2.178 179.080 176.870 0.054 0.000 1.081 473 L CA 1.178 56.057 54.840 0.065 0.000 0.752 473 L CB -0.098 42.007 42.059 0.077 0.000 0.896 473 L HN 0.206 nan 8.230 nan 0.000 0.433 474 L N -1.130 120.130 121.223 0.060 0.000 2.034 474 L HA -0.095 4.243 4.340 -0.003 0.000 0.203 474 L C 2.228 179.120 176.870 0.037 0.000 1.074 474 L CA 1.575 56.446 54.840 0.052 0.000 0.748 474 L CB -0.402 41.703 42.059 0.076 0.000 0.905 474 L HN -0.041 nan 8.230 nan 0.000 0.439 475 V N -0.264 119.680 119.914 0.049 0.000 2.427 475 V HA -0.184 3.934 4.120 -0.003 0.000 0.248 475 V C 2.184 178.292 176.094 0.022 0.000 1.051 475 V CA 1.980 64.304 62.300 0.039 0.000 1.048 475 V CB -0.621 31.231 31.823 0.048 0.000 0.666 475 V HN 0.511 nan 8.190 nan 0.000 0.456 476 E N -1.204 119.011 120.200 0.024 0.000 2.460 476 E HA 0.126 4.474 4.350 -0.003 0.000 0.200 476 E C 1.552 178.158 176.600 0.010 0.000 1.011 476 E CA 0.155 56.564 56.400 0.015 0.000 0.912 476 E CB 0.668 30.380 29.700 0.019 0.000 0.953 476 E HN 0.437 nan 8.360 nan 0.000 0.494 477 L N 0.185 121.417 121.223 0.014 0.000 2.919 477 L HA 0.115 4.453 4.340 -0.003 0.000 0.169 477 L C 1.790 178.664 176.870 0.006 0.000 1.228 477 L CA 0.525 55.371 54.840 0.010 0.000 0.862 477 L CB 0.225 42.294 42.059 0.017 0.000 1.313 477 L HN -0.217 nan 8.230 nan 0.000 0.526 478 E N 0.211 120.420 120.200 0.016 0.000 2.051 478 E HA -0.252 4.096 4.350 -0.003 0.000 0.192 478 E C 1.995 178.581 176.600 -0.023 0.000 0.991 478 E CA 1.642 58.047 56.400 0.007 0.000 0.799 478 E CB -0.287 29.433 29.700 0.033 0.000 0.748 478 E HN 0.621 nan 8.360 nan 0.000 0.449 479 Q N -0.229 119.554 119.800 -0.029 0.000 2.046 479 Q HA -0.089 4.249 4.340 -0.003 0.000 0.200 479 Q C -0.498 175.477 176.000 -0.042 0.000 0.975 479 Q CA 1.313 57.087 55.803 -0.049 0.000 0.836 479 Q CB -0.958 27.753 28.738 -0.046 0.000 0.896 479 Q HN 0.243 nan 8.270 nan 0.000 0.428 480 P HA -0.158 nan 4.420 nan 0.000 0.217 480 P C 1.320 178.602 177.300 -0.030 0.000 1.150 480 P CA 0.854 63.937 63.100 -0.029 0.000 0.832 480 P CB -0.010 31.678 31.700 -0.020 0.000 0.787 481 L N -0.553 120.654 121.223 -0.027 0.000 2.083 481 L HA -0.125 4.213 4.340 -0.003 0.000 0.209 481 L C 2.395 179.245 176.870 -0.034 0.000 1.083 481 L CA 1.901 56.723 54.840 -0.030 0.000 0.752 481 L CB -1.541 40.502 42.059 -0.026 0.000 0.899 481 L HN -0.094 nan 8.230 nan 0.000 0.433 482 S N -1.288 114.388 115.700 -0.040 0.000 2.374 482 S HA -0.227 4.241 4.470 -0.003 0.000 0.227 482 S C 2.111 176.692 174.600 -0.032 0.000 1.037 482 S CA 1.813 59.987 58.200 -0.043 0.000 1.024 482 S CB -0.401 62.755 63.200 -0.073 0.000 0.861 482 S HN 0.680 nan 8.310 nan 0.000 0.456 483 S N 1.112 116.788 115.700 -0.040 0.000 2.382 483 S HA 0.040 4.508 4.470 -0.003 0.000 0.228 483 S C 1.749 176.340 174.600 -0.016 0.000 1.027 483 S CA 1.378 59.555 58.200 -0.038 0.000 0.991 483 S CB -0.404 62.768 63.200 -0.047 0.000 0.823 483 S HN 0.548 nan 8.310 nan 0.000 0.469 484 I N 1.287 121.848 120.570 -0.015 0.000 2.252 484 I HA -0.154 4.014 4.170 -0.003 0.000 0.245 484 I C 2.028 178.154 176.117 0.016 0.000 1.102 484 I CA 1.041 62.337 61.300 -0.006 0.000 1.385 484 I CB -0.400 37.586 38.000 -0.023 0.000 1.064 484 I HN 0.227 nan 8.210 nan 0.000 0.414 485 L N 0.621 121.854 121.223 0.016 0.000 2.083 485 L HA -0.199 4.139 4.340 -0.003 0.000 0.209 485 L C 2.886 179.865 176.870 0.182 0.000 1.083 485 L CA 1.268 56.152 54.840 0.074 0.000 0.752 485 L CB -0.727 41.374 42.059 0.071 0.000 0.899 485 L HN 0.244 nan 8.230 nan 0.000 0.433 486 A N 0.159 123.053 122.820 0.123 0.000 1.902 486 A HA -0.231 4.087 4.320 -0.003 0.000 0.217 486 A C 2.158 179.852 177.584 0.184 0.000 1.181 486 A CA 1.782 53.905 52.037 0.142 0.000 0.623 486 A CB -0.436 18.579 19.000 0.025 0.000 0.818 486 A HN 0.479 nan 8.150 nan 0.000 0.443 487 E N -0.729 119.540 120.200 0.116 0.000 2.106 487 E HA -0.170 4.178 4.350 -0.003 0.000 0.192 487 E C 2.078 178.767 176.600 0.148 0.000 0.984 487 E CA 1.385 57.857 56.400 0.120 0.000 0.806 487 E CB -0.285 29.441 29.700 0.043 0.000 0.750 487 E HN 0.666 nan 8.360 nan 0.000 0.458 488 M N 0.659 120.349 119.600 0.150 0.000 2.086 488 M HA -0.183 4.295 4.480 -0.003 0.000 0.261 488 M C 2.060 178.518 176.300 0.263 0.000 1.067 488 M CA 1.602 57.005 55.300 0.172 0.000 1.116 488 M CB -0.135 32.573 32.600 0.181 0.000 1.348 488 M HN 0.049 nan 8.290 nan 0.000 0.407 489 E N -0.272 120.163 120.200 0.391 0.000 2.072 489 E HA -0.198 4.150 4.350 -0.003 0.000 0.191 489 E C 1.816 178.755 176.600 0.565 0.000 0.985 489 E CA 1.225 57.922 56.400 0.495 0.000 0.801 489 E CB -0.304 29.787 29.700 0.651 0.000 0.750 489 E HN 0.387 nan 8.360 nan 0.000 0.452 490 F N 1.788 121.940 119.950 0.335 0.000 2.134 490 F HA -0.143 4.382 4.527 -0.003 0.000 0.299 490 F C 2.194 178.039 175.800 0.076 0.000 1.097 490 F CA 1.271 59.356 58.000 0.142 0.000 1.264 490 F CB -0.421 38.531 39.000 -0.081 0.000 1.001 490 F HN -0.055 nan 8.300 nan 0.000 0.479 491 A N 0.239 123.011 122.820 -0.081 0.000 1.877 491 A HA 0.276 4.594 4.320 -0.003 0.000 0.216 491 A C 1.704 179.144 177.584 -0.240 0.000 1.186 491 A CA 1.397 53.279 52.037 -0.258 0.000 0.620 491 A CB -1.546 17.310 19.000 -0.240 0.000 0.822 491 A HN 1.068 nan 8.150 nan 0.000 0.443 492 G N -2.674 106.016 108.800 -0.183 0.000 2.855 492 G HA2 0.035 3.993 3.960 -0.003 0.000 0.352 492 G HA3 0.035 3.993 3.960 -0.003 0.000 0.352 492 G C -0.521 174.238 174.900 -0.235 0.000 1.415 492 G CA -0.349 44.481 45.100 -0.450 0.000 0.871 492 G HN 1.165 nan 8.290 nan 0.000 0.543 493 V N 0.644 120.438 119.914 -0.201 0.000 2.540 493 V HA 0.597 4.715 4.120 -0.003 0.000 0.302 493 V C 0.455 176.513 176.094 -0.060 0.000 1.035 493 V CA -0.748 61.530 62.300 -0.036 0.000 0.873 493 V CB 1.731 33.629 31.823 0.125 0.000 0.992 493 V HN 0.996 nan 8.190 nan 0.000 0.428 494 K N 3.280 123.655 120.400 -0.042 0.000 2.326 494 K HA 0.490 4.808 4.320 -0.003 0.000 0.275 494 K C -0.917 175.626 176.600 -0.095 0.000 1.018 494 K CA 0.111 56.355 56.287 -0.072 0.000 0.962 494 K CB 1.041 33.508 32.500 -0.056 0.000 0.953 494 K HN 0.460 nan 8.250 nan 0.000 0.475 495 V N 3.746 123.567 119.914 -0.154 0.000 2.540 495 V HA 0.162 4.280 4.120 -0.003 0.000 0.302 495 V C -0.690 175.307 176.094 -0.161 0.000 1.035 495 V CA -0.931 61.216 62.300 -0.256 0.000 0.873 495 V CB 1.721 33.346 31.823 -0.330 0.000 0.992 495 V HN 0.810 nan 8.190 nan 0.000 0.428 496 D N 3.283 123.595 120.400 -0.147 0.000 2.508 496 D HA 0.057 4.695 4.640 -0.003 0.000 0.224 496 D C 1.587 177.831 176.300 -0.093 0.000 1.171 496 D CA 0.355 54.303 54.000 -0.087 0.000 1.006 496 D CB 1.000 41.768 40.800 -0.053 0.000 1.073 496 D HN 0.773 nan 8.370 nan 0.000 0.513 497 T N 0.654 115.156 114.554 -0.088 0.000 2.759 497 T HA -0.203 4.145 4.350 -0.003 0.000 0.269 497 T C 1.687 176.354 174.700 -0.054 0.000 1.042 497 T CA 0.749 62.805 62.100 -0.074 0.000 1.140 497 T CB 0.061 68.893 68.868 -0.061 0.000 0.864 497 T HN 0.146 nan 8.240 nan 0.000 0.455 498 K N 0.982 121.355 120.400 -0.045 0.000 2.057 498 K HA 0.012 4.330 4.320 -0.003 0.000 0.207 498 K C 2.553 179.132 176.600 -0.035 0.000 1.049 498 K CA 1.377 57.643 56.287 -0.034 0.000 0.931 498 K CB -0.417 32.066 32.500 -0.028 0.000 0.714 498 K HN 0.314 nan 8.250 nan 0.000 0.440 499 R N 1.423 121.899 120.500 -0.040 0.000 2.073 499 R HA -0.083 4.255 4.340 -0.003 0.000 0.234 499 R C 2.197 178.472 176.300 -0.042 0.000 1.134 499 R CA 1.047 57.122 56.100 -0.041 0.000 0.952 499 R CB -0.895 29.379 30.300 -0.043 0.000 0.850 499 R HN 0.057 nan 8.270 nan 0.000 0.433 500 L N 1.126 122.320 121.223 -0.049 0.000 2.042 500 L HA -0.103 4.235 4.340 -0.003 0.000 0.210 500 L C 1.835 178.687 176.870 -0.029 0.000 1.076 500 L CA 1.936 56.752 54.840 -0.041 0.000 0.749 500 L CB -0.588 41.436 42.059 -0.058 0.000 0.893 500 L HN 0.330 nan 8.230 nan 0.000 0.432 501 E N -1.667 118.514 120.200 -0.032 0.000 2.152 501 E HA -0.255 4.093 4.350 -0.003 0.000 0.192 501 E C 2.078 178.665 176.600 -0.023 0.000 0.983 501 E CA 0.797 57.182 56.400 -0.025 0.000 0.818 501 E CB -0.011 29.674 29.700 -0.025 0.000 0.758 501 E HN 0.381 nan 8.360 nan 0.000 0.467 502 Q N 0.610 120.395 119.800 -0.025 0.000 2.079 502 Q HA -0.095 4.243 4.340 -0.003 0.000 0.200 502 Q C 1.919 177.905 176.000 -0.024 0.000 0.974 502 Q CA 1.563 57.352 55.803 -0.024 0.000 0.840 502 Q CB -0.030 28.692 28.738 -0.026 0.000 0.898 502 Q HN 0.268 nan 8.270 nan 0.000 0.430 503 M N -1.159 118.425 119.600 -0.027 0.000 2.117 503 M HA -0.080 4.398 4.480 -0.003 0.000 0.262 503 M C 2.036 178.323 176.300 -0.022 0.000 1.065 503 M CA 1.528 56.813 55.300 -0.026 0.000 1.114 503 M CB -0.618 31.967 32.600 -0.025 0.000 1.361 503 M HN 0.406 nan 8.290 nan 0.000 0.408 504 G N 0.798 109.586 108.800 -0.019 0.000 2.440 504 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.218 504 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.218 504 G C 1.609 176.497 174.900 -0.020 0.000 1.154 504 G CA 0.929 46.017 45.100 -0.019 0.000 0.767 504 G HN 0.409 nan 8.290 nan 0.000 0.552 505 K N 0.299 120.688 120.400 -0.018 0.000 2.026 505 K HA -0.068 4.250 4.320 -0.003 0.000 0.208 505 K C 2.459 179.050 176.600 -0.015 0.000 1.048 505 K CA 1.374 57.652 56.287 -0.015 0.000 0.929 505 K CB -0.181 32.312 32.500 -0.013 0.000 0.713 505 K HN 0.383 nan 8.250 nan 0.000 0.439 506 E N 0.943 121.133 120.200 -0.016 0.000 2.077 506 E HA -0.154 4.194 4.350 -0.003 0.000 0.193 506 E C 2.085 178.673 176.600 -0.020 0.000 0.989 506 E CA 0.899 57.290 56.400 -0.015 0.000 0.800 506 E CB -0.059 29.631 29.700 -0.016 0.000 0.746 506 E HN 0.207 nan 8.360 nan 0.000 0.452 507 L N 0.426 121.631 121.223 -0.029 0.000 2.083 507 L HA -0.187 4.151 4.340 -0.003 0.000 0.209 507 L C 2.566 179.407 176.870 -0.049 0.000 1.083 507 L CA 0.925 55.736 54.840 -0.048 0.000 0.752 507 L CB -0.465 41.561 42.059 -0.055 0.000 0.899 507 L HN 0.170 nan 8.230 nan 0.000 0.433 508 A N -0.081 122.719 122.820 -0.033 0.000 1.940 508 A HA -0.223 4.095 4.320 -0.003 0.000 0.219 508 A C 2.141 179.719 177.584 -0.010 0.000 1.176 508 A CA 1.698 53.721 52.037 -0.023 0.000 0.631 508 A CB -0.359 18.633 19.000 -0.014 0.000 0.814 508 A HN 0.483 nan 8.150 nan 0.000 0.446 509 E N -0.412 119.783 120.200 -0.007 0.000 2.028 509 E HA -0.203 4.145 4.350 -0.003 0.000 0.191 509 E C 2.324 178.929 176.600 0.008 0.000 0.988 509 E CA 1.294 57.696 56.400 0.003 0.000 0.799 509 E CB -0.275 29.427 29.700 0.004 0.000 0.755 509 E HN 0.723 nan 8.360 nan 0.000 0.447 510 Q N 0.409 120.210 119.800 0.001 0.000 2.096 510 Q HA -0.182 4.156 4.340 -0.003 0.000 0.204 510 Q C 2.308 178.304 176.000 -0.006 0.000 0.982 510 Q CA 0.895 56.705 55.803 0.012 0.000 0.850 510 Q CB -0.141 28.601 28.738 0.006 0.000 0.901 510 Q HN 0.151 nan 8.270 nan 0.000 0.422 511 L N 0.518 121.717 121.223 -0.039 0.000 2.046 511 L HA -0.079 4.259 4.340 -0.003 0.000 0.208 511 L C 2.197 179.094 176.870 0.045 0.000 1.077 511 L CA 2.148 56.968 54.840 -0.032 0.000 0.747 511 L CB -1.057 40.956 42.059 -0.078 0.000 0.896 511 L HN 0.209 nan 8.230 nan 0.000 0.432 512 G N -2.261 106.558 108.800 0.032 0.000 2.418 512 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.217 512 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.217 512 G C 1.471 176.392 174.900 0.035 0.000 1.158 512 G CA 1.236 46.361 45.100 0.042 0.000 0.771 512 G HN 0.414 nan 8.290 nan 0.000 0.545 513 T N 0.784 115.358 114.554 0.033 0.000 2.746 513 T HA -0.097 4.251 4.350 -0.003 0.000 0.267 513 T C 2.575 177.293 174.700 0.030 0.000 1.039 513 T CA 1.260 63.381 62.100 0.035 0.000 1.142 513 T CB -0.244 68.650 68.868 0.043 0.000 0.866 513 T HN 0.071 nan 8.240 nan 0.000 0.444 514 V N 2.489 122.433 119.914 0.050 0.000 2.307 514 V HA -0.198 3.920 4.120 -0.003 0.000 0.245 514 V C 2.634 178.691 176.094 -0.063 0.000 1.045 514 V CA 2.115 64.451 62.300 0.060 0.000 1.024 514 V CB -0.830 31.073 31.823 0.133 0.000 0.651 514 V HN 0.719 nan 8.190 nan 0.000 0.449 515 E N 0.100 120.237 120.200 -0.104 0.000 2.204 515 E HA -0.313 4.035 4.350 -0.003 0.000 0.195 515 E C 2.085 178.328 176.600 -0.595 0.000 0.990 515 E CA 1.369 57.491 56.400 -0.464 0.000 0.821 515 E CB -0.272 29.231 29.700 -0.329 0.000 0.750 515 E HN 0.514 nan 8.360 nan 0.000 0.477 516 Q N 1.158 120.842 119.800 -0.192 0.000 2.083 516 Q HA -0.087 4.251 4.340 -0.003 0.000 0.198 516 Q C 2.123 178.103 176.000 -0.034 0.000 0.969 516 Q CA 1.724 57.512 55.803 -0.024 0.000 0.838 516 Q CB -0.113 28.656 28.738 0.052 0.000 0.900 516 Q HN 0.193 nan 8.270 nan 0.000 0.436 517 R N 0.075 120.547 120.500 -0.048 0.000 2.120 517 R HA -0.010 4.328 4.340 -0.003 0.000 0.234 517 R C 1.832 178.114 176.300 -0.030 0.000 1.123 517 R CA 1.354 57.448 56.100 -0.011 0.000 0.975 517 R CB -0.588 29.716 30.300 0.007 0.000 0.866 517 R HN 0.414 nan 8.270 nan 0.000 0.446 518 I N -0.476 120.002 120.570 -0.152 0.000 2.202 518 I HA -0.258 3.910 4.170 -0.003 0.000 0.242 518 I C 1.501 177.596 176.117 -0.036 0.000 1.091 518 I CA 1.131 62.331 61.300 -0.166 0.000 1.368 518 I CB -0.345 37.412 38.000 -0.405 0.000 1.058 518 I HN 0.132 nan 8.210 nan 0.000 0.410 519 Y N 0.860 121.172 120.300 0.019 0.000 2.274 519 Y HA -0.230 4.318 4.550 -0.003 0.000 0.290 519 Y C 2.545 178.489 175.900 0.073 0.000 1.145 519 Y CA 1.087 59.231 58.100 0.073 0.000 1.203 519 Y CB -0.826 37.644 38.460 0.016 0.000 0.984 519 Y HN 0.280 nan 8.280 nan 0.000 0.533 520 E N 0.418 120.729 120.200 0.186 0.000 2.047 520 E HA -0.166 4.182 4.350 -0.003 0.000 0.191 520 E C 1.906 178.577 176.600 0.117 0.000 0.987 520 E CA 1.117 57.594 56.400 0.127 0.000 0.799 520 E CB -0.283 29.470 29.700 0.087 0.000 0.752 520 E HN 0.445 nan 8.360 nan 0.000 0.449 521 L N 0.110 121.405 121.223 0.121 0.000 2.291 521 L HA -0.031 4.307 4.340 -0.003 0.000 0.214 521 L C 2.368 179.317 176.870 0.131 0.000 1.120 521 L CA 0.763 55.699 54.840 0.160 0.000 0.799 521 L CB -0.166 42.011 42.059 0.198 0.000 0.925 521 L HN 0.195 nan 8.230 nan 0.000 0.446 522 A N -0.548 122.340 122.820 0.114 0.000 2.195 522 A HA 0.303 4.621 4.320 -0.003 0.000 0.210 522 A C 1.724 179.336 177.584 0.046 0.000 1.165 522 A CA 0.650 52.716 52.037 0.048 0.000 0.806 522 A CB -0.208 18.876 19.000 0.139 0.000 0.847 522 A HN 0.444 nan 8.150 nan 0.000 0.482 523 G N -0.445 108.409 108.800 0.091 0.000 2.198 523 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.260 523 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.260 523 G C -0.100 174.836 174.900 0.060 0.000 1.025 523 G CA 0.983 46.122 45.100 0.064 0.000 0.769 523 G HN 1.705 nan 8.290 nan 0.000 0.507 524 Q N -2.575 117.294 119.800 0.114 0.000 3.044 524 Q HA 0.471 4.809 4.340 -0.003 0.000 0.299 524 Q C -1.270 174.840 176.000 0.184 0.000 0.896 524 Q CA -1.034 54.823 55.803 0.090 0.000 0.802 524 Q CB 0.432 29.196 28.738 0.043 0.000 1.649 524 Q HN 0.295 nan 8.270 nan 0.000 0.483 525 E N 0.728 120.916 120.200 -0.020 0.000 2.248 525 E HA 0.769 5.117 4.350 -0.003 0.000 0.272 525 E C -0.806 175.862 176.600 0.113 0.000 1.008 525 E CA -0.568 55.615 56.400 -0.362 0.000 0.856 525 E CB 1.307 30.531 29.700 -0.792 0.000 1.120 525 E HN 0.473 nan 8.360 nan 0.000 0.397 526 F N -1.438 118.465 119.950 -0.079 0.000 2.807 526 F HA 0.293 4.818 4.527 -0.003 0.000 0.316 526 F C -1.191 174.684 175.800 0.125 0.000 1.162 526 F CA -1.403 56.618 58.000 0.034 0.000 0.910 526 F CB 0.703 39.733 39.000 0.049 0.000 1.314 526 F HN 0.173 nan 8.300 nan 0.000 0.454 527 N N 2.157 120.912 118.700 0.092 0.000 2.448 527 N HA 0.242 4.980 4.740 -0.003 0.000 0.250 527 N C 0.927 176.393 175.510 -0.073 0.000 1.136 527 N CA 0.015 53.057 53.050 -0.013 0.000 0.953 527 N CB 0.330 38.858 38.487 0.070 0.000 1.251 527 N HN 0.782 nan 8.380 nan 0.000 0.502 528 I N 1.717 122.046 120.570 -0.403 0.000 2.423 528 I HA -0.242 3.926 4.170 -0.003 0.000 0.254 528 I C 1.456 177.571 176.117 -0.005 0.000 1.151 528 I CA 0.669 61.741 61.300 -0.379 0.000 1.421 528 I CB -0.134 37.349 38.000 -0.860 0.000 1.079 528 I HN 0.427 nan 8.210 nan 0.000 0.431 529 N N 0.557 119.298 118.700 0.068 0.000 2.521 529 N HA -0.039 4.699 4.740 -0.003 0.000 0.188 529 N C 0.625 176.202 175.510 0.113 0.000 1.146 529 N CA 0.335 53.467 53.050 0.136 0.000 0.893 529 N CB 0.209 38.773 38.487 0.129 0.000 0.975 529 N HN 0.125 nan 8.380 nan 0.000 0.451 530 S N 1.198 116.971 115.700 0.123 0.000 2.461 530 S HA 0.336 4.804 4.470 -0.003 0.000 0.322 530 S C -1.783 172.909 174.600 0.153 0.000 1.063 530 S CA -1.753 56.524 58.200 0.129 0.000 1.120 530 S CB 1.394 64.673 63.200 0.133 0.000 0.968 530 S HN -0.105 nan 8.310 nan 0.000 0.467 531 P HA -0.130 nan 4.420 nan 0.000 0.218 531 P C 1.229 178.636 177.300 0.179 0.000 1.146 531 P CA 0.898 64.092 63.100 0.156 0.000 0.813 531 P CB 0.221 32.001 31.700 0.132 0.000 0.778 532 K N -0.129 120.360 120.400 0.148 0.000 2.044 532 K HA -0.121 4.197 4.320 -0.003 0.000 0.204 532 K C 2.061 178.757 176.600 0.160 0.000 1.049 532 K CA 1.190 57.562 56.287 0.143 0.000 0.945 532 K CB -0.163 32.391 32.500 0.090 0.000 0.724 532 K HN 0.110 nan 8.250 nan 0.000 0.440 533 Q N 0.639 120.532 119.800 0.155 0.000 2.119 533 Q HA -0.104 4.234 4.340 -0.003 0.000 0.201 533 Q C 2.102 178.172 176.000 0.117 0.000 0.972 533 Q CA 0.799 56.694 55.803 0.153 0.000 0.847 533 Q CB -0.049 28.828 28.738 0.232 0.000 0.903 533 Q HN 0.315 nan 8.270 nan 0.000 0.433 534 L N 0.552 121.902 121.223 0.211 0.000 2.141 534 L HA -0.039 4.299 4.340 -0.003 0.000 0.209 534 L C 1.912 178.778 176.870 -0.007 0.000 1.094 534 L CA 1.928 56.874 54.840 0.176 0.000 0.763 534 L CB -1.127 41.084 42.059 0.254 0.000 0.908 534 L HN 0.235 nan 8.230 nan 0.000 0.437 535 G N -0.954 107.926 108.800 0.133 0.000 2.471 535 G HA2 -0.113 3.845 3.960 -0.003 0.000 0.219 535 G HA3 -0.113 3.845 3.960 -0.003 0.000 0.219 535 G C 1.584 176.567 174.900 0.138 0.000 1.125 535 G CA 0.788 46.038 45.100 0.250 0.000 0.775 535 G HN 0.338 nan 8.290 nan 0.000 0.548 536 V N 1.175 121.149 119.914 0.099 0.000 2.488 536 V HA -0.025 4.093 4.120 -0.003 0.000 0.246 536 V C 2.664 178.657 176.094 -0.168 0.000 1.046 536 V CA 0.700 63.026 62.300 0.043 0.000 1.053 536 V CB -0.137 31.709 31.823 0.037 0.000 0.679 536 V HN 0.252 nan 8.190 nan 0.000 0.458 537 I N -0.254 120.118 120.570 -0.329 0.000 2.286 537 I HA -0.152 4.016 4.170 -0.003 0.000 0.245 537 I C 2.269 178.130 176.117 -0.426 0.000 1.104 537 I CA 1.694 62.721 61.300 -0.455 0.000 1.397 537 I CB -0.823 36.698 38.000 -0.799 0.000 1.072 537 I HN 0.269 nan 8.210 nan 0.000 0.417 538 L N -0.450 120.459 121.223 -0.523 0.000 1.993 538 L HA -0.147 4.191 4.340 -0.003 0.000 0.206 538 L C 2.298 178.719 176.870 -0.747 0.000 1.074 538 L CA 1.437 55.838 54.840 -0.732 0.000 0.746 538 L CB -0.745 40.647 42.059 -1.111 0.000 0.896 538 L HN 0.071 nan 8.230 nan 0.000 0.435 539 F N -0.566 119.148 119.950 -0.393 0.000 2.797 539 F HA 0.058 4.583 4.527 -0.003 0.000 0.302 539 F C 2.079 177.663 175.800 -0.359 0.000 1.130 539 F CA 0.285 57.991 58.000 -0.491 0.000 1.387 539 F CB -0.242 38.173 39.000 -0.975 0.000 1.107 539 F HN 0.104 nan 8.300 nan 0.000 0.577 540 E N -0.261 119.847 120.200 -0.153 0.000 2.419 540 E HA 0.015 4.363 4.350 -0.003 0.000 0.197 540 E C 1.862 178.411 176.600 -0.085 0.000 0.920 540 E CA -0.035 56.327 56.400 -0.062 0.000 1.085 540 E CB 0.159 29.866 29.700 0.011 0.000 1.084 540 E HN 0.111 nan 8.360 nan 0.000 0.490 541 K N 1.107 121.428 120.400 -0.132 0.000 2.031 541 K HA 0.006 4.324 4.320 -0.003 0.000 0.205 541 K C 1.816 178.338 176.600 -0.129 0.000 1.049 541 K CA 0.919 57.130 56.287 -0.127 0.000 0.939 541 K CB 0.155 32.555 32.500 -0.166 0.000 0.717 541 K HN 0.039 nan 8.250 nan 0.000 0.438 542 L N 0.667 121.776 121.223 -0.189 0.000 2.592 542 L HA 0.074 4.412 4.340 -0.003 0.000 0.227 542 L C 0.177 176.975 176.870 -0.120 0.000 1.127 542 L CA 0.007 54.743 54.840 -0.173 0.000 0.884 542 L CB 0.238 42.106 42.059 -0.317 0.000 1.065 542 L HN 0.280 nan 8.230 nan 0.000 0.457 543 Q N -0.264 119.465 119.800 -0.119 0.000 2.481 543 Q HA -0.193 4.145 4.340 -0.003 0.000 0.258 543 Q C 0.078 176.020 176.000 -0.096 0.000 0.961 543 Q CA 0.831 56.585 55.803 -0.082 0.000 1.121 543 Q CB -2.152 26.555 28.738 -0.052 0.000 1.503 543 Q HN 0.482 nan 8.270 nan 0.000 0.544 544 L N 2.511 123.654 121.223 -0.133 0.000 2.485 544 L HA 0.110 4.448 4.340 -0.003 0.000 0.275 544 L C -1.212 175.674 176.870 0.027 0.000 1.207 544 L CA -1.098 53.665 54.840 -0.129 0.000 0.855 544 L CB -0.263 41.681 42.059 -0.192 0.000 1.114 544 L HN -0.098 nan 8.230 nan 0.000 0.485 545 P HA 0.024 nan 4.420 nan 0.000 0.271 545 P C -0.672 176.626 177.300 -0.002 0.000 1.218 545 P CA -0.235 62.814 63.100 -0.084 0.000 0.780 545 P CB 0.986 32.557 31.700 -0.214 0.000 0.901 546 V N 5.072 124.893 119.914 -0.156 0.000 2.322 546 V HA 0.066 4.184 4.120 -0.003 0.000 0.258 546 V C 1.667 177.653 176.094 -0.179 0.000 1.074 546 V CA 0.110 62.184 62.300 -0.378 0.000 0.909 546 V CB -0.004 31.596 31.823 -0.372 0.000 1.090 546 V HN 0.470 nan 8.190 nan 0.000 0.486 547 L N 2.928 124.081 121.223 -0.116 0.000 2.249 547 L HA 0.289 4.627 4.340 -0.003 0.000 0.207 547 L C 1.101 177.953 176.870 -0.030 0.000 1.090 547 L CA 0.778 55.600 54.840 -0.029 0.000 0.802 547 L CB 0.043 42.126 42.059 0.039 0.000 0.947 547 L HN 0.477 nan 8.230 nan 0.000 0.453 548 K N 0.850 121.215 120.400 -0.059 0.000 2.464 548 K HA 0.448 4.766 4.320 -0.003 0.000 0.253 548 K C -1.269 175.300 176.600 -0.053 0.000 0.933 548 K CA -0.625 55.645 56.287 -0.027 0.000 0.801 548 K CB 2.114 34.626 32.500 0.019 0.000 1.271 548 K HN -0.160 nan 8.250 nan 0.000 0.430 549 K N 1.200 121.586 120.400 -0.023 0.000 2.281 549 K HA 0.366 4.684 4.320 -0.003 0.000 0.242 549 K C -0.764 175.839 176.600 0.005 0.000 0.971 549 K CA -0.884 55.392 56.287 -0.019 0.000 0.834 549 K CB 2.116 34.602 32.500 -0.024 0.000 1.181 549 K HN 0.508 nan 8.250 nan 0.000 0.435 550 T N 0.228 114.785 114.554 0.006 0.000 2.924 550 T HA 0.216 4.564 4.350 -0.003 0.000 0.291 550 T C -0.376 174.325 174.700 0.002 0.000 1.045 550 T CA -0.793 61.317 62.100 0.017 0.000 1.015 550 T CB 0.856 69.745 68.868 0.035 0.000 1.103 550 T HN 0.410 nan 8.240 nan 0.000 0.496 551 K N 2.586 122.993 120.400 0.011 0.000 3.387 551 K HA 0.153 4.471 4.320 -0.003 0.000 0.300 551 K C 0.279 176.876 176.600 -0.004 0.000 0.980 551 K CA 0.228 56.518 56.287 0.005 0.000 1.098 551 K CB -0.298 32.212 32.500 0.016 0.000 1.227 551 K HN 0.563 nan 8.250 nan 0.000 0.367 552 T N -2.795 111.748 114.554 -0.019 0.000 3.607 552 T HA 0.122 4.470 4.350 -0.003 0.000 0.295 552 T C 0.511 175.168 174.700 -0.071 0.000 0.884 552 T CA 0.023 62.106 62.100 -0.028 0.000 1.041 552 T CB 0.785 69.650 68.868 -0.005 0.000 1.172 552 T HN 0.492 nan 8.240 nan 0.000 0.536 553 G N 0.207 108.957 108.800 -0.083 0.000 2.552 553 G HA2 0.421 4.379 3.960 -0.003 0.000 0.137 553 G HA3 0.421 4.379 3.960 -0.003 0.000 0.137 553 G C -1.934 172.891 174.900 -0.125 0.000 1.135 553 G CA -0.814 44.166 45.100 -0.200 0.000 1.047 553 G HN 0.118 nan 8.290 nan 0.000 0.501 554 Y N 1.336 121.639 120.300 0.005 0.000 2.442 554 Y HA 0.581 5.129 4.550 -0.003 0.000 0.330 554 Y C 1.163 177.092 175.900 0.049 0.000 1.129 554 Y CA -0.240 57.835 58.100 -0.041 0.000 1.365 554 Y CB 1.303 39.838 38.460 0.126 0.000 1.233 554 Y HN 0.365 nan 8.280 nan 0.000 0.529 555 S N 1.381 117.173 115.700 0.152 0.000 2.537 555 S HA 0.336 4.804 4.470 -0.003 0.000 0.275 555 S C 0.599 175.359 174.600 0.267 0.000 1.272 555 S CA -0.152 58.142 58.200 0.157 0.000 1.050 555 S CB 0.193 63.443 63.200 0.083 0.000 0.961 555 S HN 0.821 nan 8.310 nan 0.000 0.496 556 T N 0.849 115.545 114.554 0.237 0.000 3.339 556 T HA 0.327 4.675 4.350 -0.003 0.000 0.292 556 T C 0.116 174.915 174.700 0.164 0.000 1.012 556 T CA -0.533 61.710 62.100 0.238 0.000 0.937 556 T CB -0.255 68.743 68.868 0.217 0.000 1.164 556 T HN 0.413 nan 8.240 nan 0.000 0.509 557 S N 1.325 117.109 115.700 0.141 0.000 2.566 557 S HA 0.453 4.921 4.470 -0.003 0.000 0.280 557 S C 1.895 176.559 174.600 0.107 0.000 1.343 557 S CA -0.082 58.184 58.200 0.110 0.000 1.036 557 S CB 0.628 63.884 63.200 0.093 0.000 0.866 557 S HN 0.666 nan 8.310 nan 0.000 0.526 558 A N 2.480 125.355 122.820 0.091 0.000 1.948 558 A HA -0.221 4.097 4.320 -0.003 0.000 0.220 558 A C 1.961 179.595 177.584 0.084 0.000 1.177 558 A CA 1.928 54.016 52.037 0.085 0.000 0.636 558 A CB -0.775 18.268 19.000 0.072 0.000 0.815 558 A HN 0.956 nan 8.150 nan 0.000 0.449 559 D N -0.093 120.354 120.400 0.079 0.000 2.178 559 D HA -0.106 4.532 4.640 -0.003 0.000 0.202 559 D C 1.786 178.140 176.300 0.090 0.000 0.974 559 D CA 1.609 55.654 54.000 0.076 0.000 0.841 559 D CB -0.781 40.059 40.800 0.068 0.000 0.953 559 D HN 0.277 nan 8.370 nan 0.000 0.478 560 V N 1.057 121.035 119.914 0.106 0.000 2.379 560 V HA -0.153 3.965 4.120 -0.003 0.000 0.245 560 V C 2.840 179.024 176.094 0.149 0.000 1.044 560 V CA 0.896 63.274 62.300 0.130 0.000 1.036 560 V CB -0.481 31.435 31.823 0.154 0.000 0.664 560 V HN 0.181 nan 8.190 nan 0.000 0.453 561 L N -0.324 120.981 121.223 0.136 0.000 2.083 561 L HA -0.193 4.145 4.340 -0.003 0.000 0.209 561 L C 2.571 179.506 176.870 0.108 0.000 1.083 561 L CA 1.498 56.411 54.840 0.122 0.000 0.752 561 L CB -0.547 41.574 42.059 0.103 0.000 0.899 561 L HN 0.343 nan 8.230 nan 0.000 0.433 562 E N 0.671 120.928 120.200 0.094 0.000 2.097 562 E HA -0.228 4.120 4.350 -0.003 0.000 0.196 562 E C 2.085 178.733 176.600 0.080 0.000 1.000 562 E CA 1.413 57.858 56.400 0.076 0.000 0.804 562 E CB 0.081 29.820 29.700 0.066 0.000 0.740 562 E HN 0.307 nan 8.360 nan 0.000 0.454 563 K N -0.503 119.959 120.400 0.104 0.000 2.296 563 K HA 0.017 4.335 4.320 -0.003 0.000 0.200 563 K C 1.739 178.449 176.600 0.184 0.000 1.048 563 K CA 0.582 56.942 56.287 0.121 0.000 0.966 563 K CB 0.152 32.730 32.500 0.131 0.000 0.754 563 K HN 0.201 nan 8.250 nan 0.000 0.466 564 L N -0.004 121.346 121.223 0.210 0.000 2.477 564 L HA 0.104 4.442 4.340 -0.003 0.000 0.220 564 L C 2.354 179.368 176.870 0.241 0.000 1.106 564 L CA 0.021 55.056 54.840 0.324 0.000 0.851 564 L CB -0.353 41.850 42.059 0.240 0.000 0.994 564 L HN 0.071 nan 8.230 nan 0.000 0.462 565 A N 1.574 124.467 122.820 0.123 0.000 1.915 565 A HA -0.190 4.128 4.320 -0.003 0.000 0.220 565 A C -0.053 177.548 177.584 0.027 0.000 1.198 565 A CA 2.046 54.127 52.037 0.073 0.000 0.647 565 A CB -1.831 17.194 19.000 0.042 0.000 0.825 565 A HN 0.287 nan 8.150 nan 0.000 0.456 566 P HA -0.117 nan 4.420 nan 0.000 0.222 566 P C 0.601 177.777 177.300 -0.208 0.000 1.147 566 P CA 0.956 63.940 63.100 -0.193 0.000 0.790 566 P CB -0.147 31.353 31.700 -0.333 0.000 0.780 567 Y N -2.764 117.564 120.300 0.047 0.000 2.457 567 Y HA 0.061 4.609 4.550 -0.003 0.000 0.292 567 Y C 1.386 177.350 175.900 0.105 0.000 1.125 567 Y CA 0.941 59.077 58.100 0.061 0.000 1.254 567 Y CB -0.065 38.434 38.460 0.065 0.000 1.012 567 Y HN 0.053 nan 8.280 nan 0.000 0.555 568 H N -0.986 118.153 119.070 0.116 0.000 3.112 568 H HA 0.102 4.656 4.556 -0.003 0.000 0.347 568 H C 0.138 175.484 175.328 0.030 0.000 1.188 568 H CA -0.565 55.517 56.048 0.058 0.000 1.240 568 H CB 1.398 31.185 29.762 0.042 0.000 1.920 568 H HN 0.151 nan 8.280 nan 0.000 0.535 569 E N 3.564 123.767 120.200 0.005 0.000 2.265 569 E HA -0.098 4.250 4.350 -0.003 0.000 0.196 569 E C 1.774 178.495 176.600 0.201 0.000 0.996 569 E CA 0.777 57.220 56.400 0.072 0.000 0.832 569 E CB 0.284 29.961 29.700 -0.039 0.000 0.756 569 E HN 0.589 nan 8.360 nan 0.000 0.491 570 I N -0.042 120.790 120.570 0.438 0.000 2.361 570 I HA -0.252 3.916 4.170 -0.003 0.000 0.251 570 I C 1.886 178.060 176.117 0.095 0.000 1.133 570 I CA 0.619 62.029 61.300 0.184 0.000 1.413 570 I CB 0.121 38.125 38.000 0.006 0.000 1.073 570 I HN 0.019 nan 8.210 nan 0.000 0.424 571 V N 2.261 122.235 119.914 0.101 0.000 2.252 571 V HA -0.343 3.775 4.120 -0.003 0.000 0.249 571 V C 2.480 178.621 176.094 0.079 0.000 1.056 571 V CA 2.487 64.830 62.300 0.071 0.000 1.022 571 V CB -1.236 30.638 31.823 0.085 0.000 0.641 571 V HN 0.638 nan 8.190 nan 0.000 0.445 572 E N 0.605 120.851 120.200 0.076 0.000 2.085 572 E HA -0.281 4.067 4.350 -0.003 0.000 0.194 572 E C 1.905 178.562 176.600 0.094 0.000 0.994 572 E CA 1.786 58.226 56.400 0.067 0.000 0.801 572 E CB -0.566 29.155 29.700 0.035 0.000 0.743 572 E HN 0.621 nan 8.360 nan 0.000 0.453 573 N N 0.780 119.536 118.700 0.092 0.000 2.223 573 N HA -0.102 4.636 4.740 -0.003 0.000 0.185 573 N C 1.879 177.472 175.510 0.138 0.000 1.016 573 N CA 1.092 54.213 53.050 0.118 0.000 0.863 573 N CB -0.061 38.467 38.487 0.069 0.000 0.983 573 N HN 0.282 nan 8.380 nan 0.000 0.429 574 I N 1.434 122.065 120.570 0.101 0.000 2.252 574 I HA -0.167 4.001 4.170 -0.003 0.000 0.245 574 I C 2.344 178.560 176.117 0.165 0.000 1.102 574 I CA 0.726 62.092 61.300 0.110 0.000 1.385 574 I CB -1.097 36.949 38.000 0.076 0.000 1.064 574 I HN 0.077 nan 8.210 nan 0.000 0.414 575 L N -0.275 121.032 121.223 0.141 0.000 2.046 575 L HA -0.271 4.067 4.340 -0.003 0.000 0.208 575 L C 2.763 179.733 176.870 0.166 0.000 1.077 575 L CA 1.455 56.376 54.840 0.135 0.000 0.747 575 L CB -0.856 41.270 42.059 0.110 0.000 0.896 575 L HN 0.263 nan 8.230 nan 0.000 0.432 576 H N -1.028 118.083 119.070 0.068 0.000 2.353 576 H HA -0.261 4.293 4.556 -0.003 0.000 0.300 576 H C 2.049 177.412 175.328 0.058 0.000 1.090 576 H CA 1.855 57.934 56.048 0.051 0.000 1.327 576 H CB -0.277 29.512 29.762 0.046 0.000 1.383 576 H HN 0.330 nan 8.280 nan 0.000 0.508 577 Y N 0.983 121.256 120.300 -0.046 0.000 2.181 577 Y HA -0.171 4.377 4.550 -0.003 0.000 0.288 577 Y C 2.425 178.271 175.900 -0.089 0.000 1.146 577 Y CA 1.574 59.602 58.100 -0.122 0.000 1.164 577 Y CB -0.033 38.367 38.460 -0.098 0.000 0.982 577 Y HN 0.044 nan 8.280 nan 0.000 0.515 578 R N 0.268 120.787 120.500 0.031 0.000 2.073 578 R HA -0.212 4.126 4.340 -0.003 0.000 0.234 578 R C 2.310 178.559 176.300 -0.085 0.000 1.134 578 R CA 1.805 57.895 56.100 -0.018 0.000 0.952 578 R CB -0.826 29.518 30.300 0.074 0.000 0.850 578 R HN 0.537 nan 8.270 nan 0.000 0.433 579 Q N 0.567 120.333 119.800 -0.056 0.000 2.020 579 Q HA -0.111 4.227 4.340 -0.003 0.000 0.202 579 Q C 2.287 178.218 176.000 -0.116 0.000 0.982 579 Q CA 1.380 57.154 55.803 -0.048 0.000 0.838 579 Q CB -0.040 28.704 28.738 0.010 0.000 0.899 579 Q HN 0.277 nan 8.270 nan 0.000 0.423 580 L N -0.593 120.490 121.223 -0.233 0.000 2.046 580 L HA -0.100 4.238 4.340 -0.003 0.000 0.208 580 L C 2.472 179.194 176.870 -0.245 0.000 1.077 580 L CA 1.090 55.778 54.840 -0.252 0.000 0.747 580 L CB -0.831 41.011 42.059 -0.361 0.000 0.896 580 L HN 0.399 nan 8.230 nan 0.000 0.432 581 G N 0.090 108.661 108.800 -0.381 0.000 2.422 581 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.218 581 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.218 581 G C 1.663 176.459 174.900 -0.174 0.000 1.146 581 G CA 0.876 45.758 45.100 -0.363 0.000 0.769 581 G HN 0.187 nan 8.290 nan 0.000 0.547 582 K N -0.146 120.189 120.400 -0.108 0.000 2.057 582 K HA 0.031 4.349 4.320 -0.003 0.000 0.207 582 K C 2.311 178.950 176.600 0.065 0.000 1.049 582 K CA 0.695 56.976 56.287 -0.011 0.000 0.931 582 K CB -0.555 31.973 32.500 0.045 0.000 0.714 582 K HN 0.192 nan 8.250 nan 0.000 0.440 583 L N 0.965 122.236 121.223 0.080 0.000 1.994 583 L HA -0.112 4.226 4.340 -0.003 0.000 0.208 583 L C 2.503 179.426 176.870 0.089 0.000 1.071 583 L CA 1.793 56.730 54.840 0.162 0.000 0.745 583 L CB -1.190 40.901 42.059 0.055 0.000 0.892 583 L HN 0.341 nan 8.230 nan 0.000 0.431 584 Q N -0.725 119.069 119.800 -0.011 0.000 2.002 584 Q HA -0.175 4.163 4.340 -0.003 0.000 0.204 584 Q C 2.328 178.306 176.000 -0.038 0.000 0.988 584 Q CA 2.536 58.319 55.803 -0.033 0.000 0.843 584 Q CB -0.326 28.365 28.738 -0.079 0.000 0.908 584 Q HN 0.451 nan 8.270 nan 0.000 0.420 585 S N -0.718 114.943 115.700 -0.065 0.000 2.348 585 S HA -0.126 4.342 4.470 -0.003 0.000 0.221 585 S C 1.983 176.514 174.600 -0.115 0.000 1.033 585 S CA 1.703 59.856 58.200 -0.078 0.000 1.010 585 S CB -0.630 62.521 63.200 -0.082 0.000 0.891 585 S HN 0.539 nan 8.310 nan 0.000 0.442 586 T N 0.212 114.651 114.554 -0.191 0.000 2.976 586 T HA 0.096 4.444 4.350 -0.003 0.000 0.257 586 T C 1.154 175.555 174.700 -0.499 0.000 1.051 586 T CA 0.834 62.689 62.100 -0.408 0.000 1.141 586 T CB -0.223 68.244 68.868 -0.667 0.000 0.881 586 T HN 0.408 nan 8.240 nan 0.000 0.461 587 Y N -0.127 120.178 120.300 0.009 0.000 2.458 587 Y HA 0.372 4.920 4.550 -0.003 0.000 0.254 587 Y C 1.755 177.670 175.900 0.024 0.000 1.120 587 Y CA -0.477 57.643 58.100 0.033 0.000 1.282 587 Y CB 0.206 38.687 38.460 0.034 0.000 1.109 587 Y HN 0.135 nan 8.280 nan 0.000 0.526 588 I N -0.601 120.026 120.570 0.095 0.000 3.341 588 I HA 0.002 4.170 4.170 -0.003 0.000 0.243 588 I C 1.846 177.968 176.117 0.007 0.000 1.094 588 I CA 0.705 62.033 61.300 0.046 0.000 1.507 588 I CB -0.931 37.083 38.000 0.022 0.000 1.441 588 I HN 0.084 nan 8.210 nan 0.000 0.465 589 E N 1.318 121.510 120.200 -0.013 0.000 2.051 589 E HA -0.130 4.218 4.350 -0.003 0.000 0.192 589 E C 2.169 178.750 176.600 -0.032 0.000 0.991 589 E CA 1.331 57.716 56.400 -0.025 0.000 0.799 589 E CB -0.354 29.327 29.700 -0.032 0.000 0.748 589 E HN 0.547 nan 8.360 nan 0.000 0.449 590 G N 1.282 110.052 108.800 -0.051 0.000 2.440 590 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.218 590 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.218 590 G C 1.524 176.404 174.900 -0.032 0.000 1.154 590 G CA 0.511 45.575 45.100 -0.061 0.000 0.767 590 G HN 0.076 nan 8.290 nan 0.000 0.552 591 L N 0.356 121.576 121.223 -0.005 0.000 2.044 591 L HA 0.201 4.539 4.340 -0.003 0.000 0.205 591 L C 2.801 179.669 176.870 -0.003 0.000 1.075 591 L CA 1.171 56.028 54.840 0.029 0.000 0.747 591 L CB -0.621 41.489 42.059 0.086 0.000 0.903 591 L HN 0.186 nan 8.230 nan 0.000 0.435 592 L N -0.531 120.682 121.223 -0.016 0.000 2.127 592 L HA -0.276 4.062 4.340 -0.003 0.000 0.211 592 L C 2.527 179.383 176.870 -0.024 0.000 1.089 592 L CA 1.402 56.226 54.840 -0.028 0.000 0.757 592 L CB -0.537 41.506 42.059 -0.027 0.000 0.899 592 L HN 0.314 nan 8.230 nan 0.000 0.434 593 K N 0.115 120.503 120.400 -0.021 0.000 2.209 593 K HA -0.140 4.178 4.320 -0.003 0.000 0.204 593 K C 1.577 178.165 176.600 -0.020 0.000 1.048 593 K CA 1.518 57.791 56.287 -0.022 0.000 0.940 593 K CB 0.183 32.668 32.500 -0.025 0.000 0.729 593 K HN 0.377 nan 8.250 nan 0.000 0.451 594 V N -2.170 117.735 119.914 -0.015 0.000 3.578 594 V HA 0.219 4.337 4.120 -0.003 0.000 0.290 594 V C 0.484 176.576 176.094 -0.004 0.000 1.376 594 V CA -0.645 61.649 62.300 -0.010 0.000 1.083 594 V CB 0.418 32.239 31.823 -0.004 0.000 0.911 594 V HN -0.177 nan 8.190 nan 0.000 0.433 595 V N 3.070 122.976 119.914 -0.013 0.000 2.637 595 V HA 0.259 4.377 4.120 -0.003 0.000 0.296 595 V C 0.748 176.842 176.094 -0.001 0.000 1.046 595 V CA -0.205 62.085 62.300 -0.017 0.000 1.066 595 V CB 0.628 32.425 31.823 -0.043 0.000 0.968 595 V HN 0.515 nan 8.190 nan 0.000 0.483 596 R N 5.638 126.154 120.500 0.027 0.000 2.216 596 R HA 0.209 4.547 4.340 -0.003 0.000 0.332 596 R C -1.876 174.436 176.300 0.021 0.000 1.056 596 R CA -1.694 54.429 56.100 0.039 0.000 0.901 596 R CB 0.757 31.123 30.300 0.110 0.000 1.039 596 R HN 0.481 nan 8.270 nan 0.000 0.456 597 P HA -0.222 nan 4.420 nan 0.000 0.216 597 P C 0.780 178.083 177.300 0.005 0.000 1.153 597 P CA 1.377 64.476 63.100 -0.001 0.000 0.858 597 P CB 0.175 31.872 31.700 -0.005 0.000 0.789 598 D N -1.342 119.069 120.400 0.019 0.000 2.219 598 D HA -0.109 4.529 4.640 -0.003 0.000 0.205 598 D C 1.353 177.667 176.300 0.023 0.000 0.970 598 D CA 2.088 56.102 54.000 0.024 0.000 0.851 598 D CB -1.085 39.739 40.800 0.040 0.000 0.943 598 D HN 0.287 nan 8.370 nan 0.000 0.488 599 T N -4.206 110.367 114.554 0.032 0.000 2.986 599 T HA 0.153 4.501 4.350 -0.003 0.000 0.264 599 T C 0.545 175.237 174.700 -0.013 0.000 0.964 599 T CA -0.391 61.717 62.100 0.015 0.000 0.895 599 T CB 0.499 69.395 68.868 0.047 0.000 1.163 599 T HN -0.151 nan 8.240 nan 0.000 0.517 600 K N 0.808 121.201 120.400 -0.012 0.000 3.230 600 K HA -0.113 4.205 4.320 -0.003 0.000 0.285 600 K C -0.486 176.075 176.600 -0.066 0.000 1.196 600 K CA 0.744 57.006 56.287 -0.041 0.000 0.838 600 K CB -2.146 30.323 32.500 -0.052 0.000 1.262 600 K HN 0.597 nan 8.250 nan 0.000 0.492 601 K N 0.137 120.507 120.400 -0.049 0.000 2.221 601 K HA 0.616 4.934 4.320 -0.003 0.000 0.243 601 K C 0.162 176.689 176.600 -0.122 0.000 0.968 601 K CA -0.892 55.316 56.287 -0.133 0.000 0.846 601 K CB 2.194 34.560 32.500 -0.224 0.000 1.141 601 K HN 0.022 nan 8.250 nan 0.000 0.434 602 V N -1.054 118.742 119.914 -0.197 0.000 2.555 602 V HA 0.443 4.561 4.120 -0.003 0.000 0.302 602 V C -0.686 175.240 176.094 -0.280 0.000 1.038 602 V CA -0.719 61.516 62.300 -0.107 0.000 0.887 602 V CB 1.520 33.346 31.823 0.006 0.000 0.991 602 V HN 0.727 nan 8.190 nan 0.000 0.434 603 H N 2.418 121.408 119.070 -0.133 0.000 2.786 603 H HA 0.384 4.938 4.556 -0.003 0.000 0.284 603 H C 0.214 175.415 175.328 -0.212 0.000 1.104 603 H CA -0.212 55.673 56.048 -0.271 0.000 1.339 603 H CB 1.779 31.133 29.762 -0.680 0.000 1.427 603 H HN 0.878 nan 8.280 nan 0.000 0.497 604 T N 2.616 117.142 114.554 -0.047 0.000 2.726 604 T HA 0.361 4.709 4.350 -0.003 0.000 0.294 604 T C 0.512 175.193 174.700 -0.032 0.000 1.013 604 T CA -0.287 61.740 62.100 -0.121 0.000 0.996 604 T CB 0.347 68.998 68.868 -0.362 0.000 1.016 604 T HN 0.421 nan 8.240 nan 0.000 0.529 605 I N 2.345 122.826 120.570 -0.148 0.000 2.447 605 I HA 0.325 4.493 4.170 -0.003 0.000 0.287 605 I C -1.058 174.972 176.117 -0.145 0.000 1.023 605 I CA -0.745 60.517 61.300 -0.063 0.000 1.083 605 I CB 1.542 39.452 38.000 -0.150 0.000 1.245 605 I HN 0.532 nan 8.210 nan 0.000 0.434 606 F N 5.031 125.055 119.950 0.124 0.000 2.375 606 F HA 0.238 4.763 4.527 -0.004 0.000 0.362 606 F C 0.896 176.731 175.800 0.058 0.000 1.129 606 F CA -0.489 57.562 58.000 0.084 0.000 1.154 606 F CB 0.273 39.320 39.000 0.078 0.000 1.205 606 F HN 0.404 nan 8.300 nan 0.000 0.513 607 N N 3.713 122.522 118.700 0.182 0.000 2.416 607 N HA -0.047 4.691 4.740 -0.003 0.000 0.265 607 N C 0.733 176.263 175.510 0.032 0.000 1.195 607 N CA 0.377 53.477 53.050 0.083 0.000 0.943 607 N CB 0.714 39.231 38.487 0.049 0.000 1.115 607 N HN 0.760 nan 8.380 nan 0.000 0.481 608 Q N 2.818 122.588 119.800 -0.050 0.000 2.360 608 Q HA 0.175 4.513 4.340 -0.003 0.000 0.202 608 Q C -0.246 175.435 176.000 -0.532 0.000 0.915 608 Q CA 0.148 55.855 55.803 -0.161 0.000 0.943 608 Q CB 0.345 29.018 28.738 -0.109 0.000 1.064 608 Q HN 0.628 nan 8.270 nan 0.000 0.511 609 A N 0.529 122.989 122.820 -0.600 0.000 2.959 609 A HA 0.321 4.639 4.320 -0.003 0.000 0.280 609 A C 0.015 177.265 177.584 -0.556 0.000 0.953 609 A CA -0.374 50.958 52.037 -1.174 0.000 1.047 609 A CB 0.153 18.781 19.000 -0.621 0.000 1.147 609 A HN 0.451 nan 8.150 nan 0.000 0.489 610 L N -0.548 120.514 121.223 -0.270 0.000 2.691 610 L HA 0.254 4.592 4.340 -0.003 0.000 0.185 610 L C 1.306 178.316 176.870 0.233 0.000 1.081 610 L CA 1.025 55.907 54.840 0.071 0.000 0.865 610 L CB 0.349 42.433 42.059 0.042 0.000 1.370 610 L HN 0.412 nan 8.230 nan 0.000 0.488 611 T N -1.284 113.399 114.554 0.216 0.000 2.937 611 T HA -0.023 4.325 4.350 -0.003 0.000 0.316 611 T C 0.801 175.642 174.700 0.236 0.000 1.079 611 T CA -0.288 61.932 62.100 0.201 0.000 1.131 611 T CB 0.816 69.778 68.868 0.157 0.000 1.000 611 T HN 0.276 nan 8.240 nan 0.000 0.549 612 Q N 1.731 121.605 119.800 0.123 0.000 2.436 612 Q HA 0.006 4.344 4.340 -0.003 0.000 0.209 612 Q C 2.239 178.257 176.000 0.029 0.000 0.965 612 Q CA 1.527 57.369 55.803 0.064 0.000 0.910 612 Q CB -0.370 28.393 28.738 0.042 0.000 0.980 612 Q HN 1.043 nan 8.270 nan 0.000 0.491 613 T N -4.981 109.606 114.554 0.056 0.000 3.040 613 T HA 0.392 4.740 4.350 -0.003 0.000 0.250 613 T C 1.274 176.008 174.700 0.056 0.000 1.058 613 T CA 0.604 62.727 62.100 0.039 0.000 0.988 613 T CB 0.712 69.602 68.868 0.036 0.000 0.993 613 T HN 0.298 nan 8.240 nan 0.000 0.519 614 G N 1.397 110.273 108.800 0.128 0.000 2.179 614 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.220 614 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.220 614 G C 0.208 175.222 174.900 0.191 0.000 0.990 614 G CA -0.356 44.854 45.100 0.184 0.000 0.646 614 G HN 0.617 nan 8.290 nan 0.000 0.517 615 R N -0.392 120.206 120.500 0.164 0.000 2.649 615 R HA 0.677 5.015 4.340 -0.003 0.000 0.270 615 R C 0.787 177.197 176.300 0.183 0.000 1.105 615 R CA -0.267 55.932 56.100 0.165 0.000 1.193 615 R CB 0.389 30.767 30.300 0.130 0.000 1.120 615 R HN 0.258 nan 8.270 nan 0.000 0.561 616 L N -0.119 121.228 121.223 0.208 0.000 2.416 616 L HA 0.428 4.766 4.340 -0.003 0.000 0.263 616 L C 0.301 177.335 176.870 0.274 0.000 1.065 616 L CA -0.487 54.472 54.840 0.198 0.000 0.798 616 L CB 1.520 43.685 42.059 0.177 0.000 1.267 616 L HN 0.719 nan 8.230 nan 0.000 0.467 617 S N -0.904 114.950 115.700 0.258 0.000 2.595 617 S HA 0.684 5.152 4.470 -0.003 0.000 0.281 617 S C -0.913 173.815 174.600 0.214 0.000 1.117 617 S CA -0.722 57.618 58.200 0.234 0.000 0.873 617 S CB 1.964 65.253 63.200 0.148 0.000 1.108 617 S HN 0.525 nan 8.310 nan 0.000 0.477 618 S N 0.810 116.582 115.700 0.120 0.000 2.538 618 S HA 0.837 5.305 4.470 -0.003 0.000 0.288 618 S C -0.734 173.835 174.600 -0.052 0.000 1.108 618 S CA -0.193 57.972 58.200 -0.059 0.000 0.971 618 S CB 1.186 64.308 63.200 -0.130 0.000 1.041 618 S HN 1.383 nan 8.310 nan 0.000 0.483 619 T N 0.461 114.956 114.554 -0.098 0.000 2.896 619 T HA 0.594 4.942 4.350 -0.003 0.000 0.297 619 T C -0.334 174.328 174.700 -0.063 0.000 1.108 619 T CA -0.702 61.365 62.100 -0.055 0.000 1.004 619 T CB 1.256 70.104 68.868 -0.034 0.000 1.159 619 T HN 0.781 nan 8.240 nan 0.000 0.499 620 E N 1.789 121.967 120.200 -0.037 0.000 2.131 620 E HA -0.148 4.200 4.350 -0.003 0.000 0.166 620 E C -2.258 174.329 176.600 -0.021 0.000 1.514 620 E CA -0.041 56.342 56.400 -0.029 0.000 0.646 620 E CB -0.431 29.247 29.700 -0.036 0.000 1.051 620 E HN 0.547 nan 8.360 nan 0.000 0.315 621 P HA 0.136 nan 4.420 nan 0.000 0.285 621 P C -0.798 176.502 177.300 -0.000 0.000 1.280 621 P CA -0.705 62.404 63.100 0.014 0.000 0.862 621 P CB 0.871 32.614 31.700 0.072 0.000 1.153 622 N N 1.594 120.308 118.700 0.022 0.000 2.405 622 N HA 0.052 4.790 4.740 -0.003 0.000 0.260 622 N C 0.092 175.652 175.510 0.083 0.000 1.152 622 N CA -0.029 53.039 53.050 0.031 0.000 0.948 622 N CB -0.427 38.094 38.487 0.056 0.000 1.111 622 N HN 0.168 nan 8.380 nan 0.000 0.485 623 L N 3.095 124.347 121.223 0.049 0.000 2.700 623 L HA 0.256 4.594 4.340 -0.003 0.000 0.234 623 L C 1.333 178.303 176.870 0.168 0.000 1.156 623 L CA 0.572 55.479 54.840 0.112 0.000 0.946 623 L CB -0.289 41.808 42.059 0.064 0.000 1.216 623 L HN 0.650 nan 8.230 nan 0.000 0.493 624 Q N -0.087 119.795 119.800 0.138 0.000 2.247 624 Q HA 0.166 4.504 4.340 -0.003 0.000 0.204 624 Q C 0.365 176.450 176.000 0.141 0.000 0.872 624 Q CA 0.033 55.913 55.803 0.128 0.000 0.951 624 Q CB 0.423 29.213 28.738 0.087 0.000 1.099 624 Q HN 0.450 nan 8.270 nan 0.000 0.501 625 N N -0.262 118.522 118.700 0.140 0.000 2.536 625 N HA 0.067 4.805 4.740 -0.003 0.000 0.286 625 N C -0.648 174.915 175.510 0.088 0.000 1.577 625 N CA -0.209 52.919 53.050 0.131 0.000 0.883 625 N CB 0.387 38.980 38.487 0.175 0.000 1.390 625 N HN -0.061 nan 8.380 nan 0.000 0.491 626 I N 1.698 122.236 120.570 -0.052 0.000 2.471 626 I HA 0.284 4.452 4.170 -0.003 0.000 0.286 626 I C -1.823 174.035 176.117 -0.431 0.000 1.079 626 I CA -1.924 59.206 61.300 -0.283 0.000 1.398 626 I CB 0.084 37.805 38.000 -0.466 0.000 1.403 626 I HN -0.079 nan 8.210 nan 0.000 0.530 627 P HA 0.074 nan 4.420 nan 0.000 0.266 627 P C 0.622 177.724 177.300 -0.329 0.000 1.186 627 P CA 0.513 63.356 63.100 -0.427 0.000 0.767 627 P CB 1.052 32.454 31.700 -0.497 0.000 0.820 628 I N 0.893 121.326 120.570 -0.228 0.000 5.362 628 I HA 0.046 4.214 4.170 -0.003 0.000 0.359 628 I C 1.707 177.745 176.117 -0.130 0.000 1.172 628 I CA -0.034 61.144 61.300 -0.203 0.000 1.577 628 I CB 0.272 38.134 38.000 -0.230 0.000 1.845 628 I HN 0.109 nan 8.210 nan 0.000 0.632 629 R N 0.820 121.262 120.500 -0.097 0.000 2.083 629 R HA -0.026 4.312 4.340 -0.003 0.000 0.237 629 R C -0.071 176.201 176.300 -0.047 0.000 1.137 629 R CA 1.114 57.179 56.100 -0.058 0.000 0.951 629 R CB -0.242 30.037 30.300 -0.035 0.000 0.851 629 R HN 0.104 nan 8.270 nan 0.000 0.434 630 L N 1.132 122.326 121.223 -0.047 0.000 2.289 630 L HA 0.088 4.426 4.340 -0.003 0.000 0.285 630 L C 1.147 178.002 176.870 -0.025 0.000 1.049 630 L CA 0.093 54.917 54.840 -0.027 0.000 0.804 630 L CB 1.486 43.535 42.059 -0.016 0.000 1.195 630 L HN -0.040 nan 8.230 nan 0.000 0.428 631 E N 1.772 121.968 120.200 -0.005 0.000 2.130 631 E HA -0.233 4.115 4.350 -0.003 0.000 0.196 631 E C 1.441 178.059 176.600 0.029 0.000 0.998 631 E CA 1.873 58.288 56.400 0.024 0.000 0.806 631 E CB 0.249 29.967 29.700 0.029 0.000 0.738 631 E HN 0.699 nan 8.360 nan 0.000 0.459 632 E N -1.030 119.176 120.200 0.009 0.000 2.072 632 E HA -0.097 4.251 4.350 -0.003 0.000 0.191 632 E C 2.064 178.650 176.600 -0.023 0.000 0.985 632 E CA 0.958 57.358 56.400 0.000 0.000 0.801 632 E CB -0.331 29.377 29.700 0.014 0.000 0.750 632 E HN 0.444 nan 8.360 nan 0.000 0.452 633 G N 0.991 109.765 108.800 -0.044 0.000 2.448 633 G HA2 -0.244 3.714 3.960 -0.003 0.000 0.218 633 G HA3 -0.244 3.714 3.960 -0.003 0.000 0.218 633 G C 1.518 176.350 174.900 -0.113 0.000 1.135 633 G CA 0.256 45.295 45.100 -0.100 0.000 0.784 633 G HN 0.069 nan 8.290 nan 0.000 0.543 634 R N 0.504 120.970 120.500 -0.056 0.000 2.127 634 R HA -0.069 4.269 4.340 -0.003 0.000 0.238 634 R C 2.233 178.609 176.300 0.126 0.000 1.134 634 R CA 1.089 57.189 56.100 -0.000 0.000 0.975 634 R CB -0.028 30.303 30.300 0.052 0.000 0.865 634 R HN 0.079 nan 8.270 nan 0.000 0.447 635 K N 0.624 121.046 120.400 0.036 0.000 2.152 635 K HA -0.152 4.166 4.320 -0.003 0.000 0.206 635 K C 1.931 178.490 176.600 -0.069 0.000 1.048 635 K CA 0.862 57.075 56.287 -0.123 0.000 0.933 635 K CB -0.277 32.143 32.500 -0.134 0.000 0.721 635 K HN 0.289 nan 8.250 nan 0.000 0.447 636 I N 1.207 121.764 120.570 -0.021 0.000 2.315 636 I HA -0.274 3.894 4.170 -0.003 0.000 0.251 636 I C 2.019 178.236 176.117 0.166 0.000 1.125 636 I CA 1.339 62.664 61.300 0.042 0.000 1.392 636 I CB -0.799 37.199 38.000 -0.003 0.000 1.065 636 I HN 0.212 nan 8.210 nan 0.000 0.424 637 R N 0.409 120.982 120.500 0.122 0.000 2.285 637 R HA -0.128 4.210 4.340 -0.003 0.000 0.213 637 R C 1.964 178.484 176.300 0.367 0.000 1.068 637 R CA 0.516 56.751 56.100 0.226 0.000 1.004 637 R CB -0.196 30.040 30.300 -0.107 0.000 0.873 637 R HN 0.572 nan 8.270 nan 0.000 0.467 638 Q N -0.119 119.787 119.800 0.177 0.000 2.369 638 Q HA -0.008 4.330 4.340 -0.003 0.000 0.206 638 Q C 1.760 177.830 176.000 0.116 0.000 0.963 638 Q CA 1.057 56.915 55.803 0.093 0.000 0.894 638 Q CB 0.189 28.836 28.738 -0.151 0.000 0.965 638 Q HN 0.325 nan 8.270 nan 0.000 0.475 639 A N 0.031 122.926 122.820 0.124 0.000 2.169 639 A HA 0.052 4.370 4.320 -0.003 0.000 0.212 639 A C 0.133 177.661 177.584 -0.093 0.000 1.153 639 A CA 0.102 52.128 52.037 -0.018 0.000 0.756 639 A CB 0.106 19.038 19.000 -0.113 0.000 0.813 639 A HN 0.155 nan 8.150 nan 0.000 0.471 640 F N 0.652 120.716 119.950 0.190 0.000 2.371 640 F HA 0.452 4.977 4.527 -0.003 0.000 0.363 640 F C 0.359 176.270 175.800 0.185 0.000 1.122 640 F CA -0.563 57.571 58.000 0.223 0.000 1.129 640 F CB 1.358 40.619 39.000 0.435 0.000 1.173 640 F HN 0.064 nan 8.300 nan 0.000 0.489 641 V N 1.803 121.834 119.914 0.196 0.000 3.113 641 V HA 0.757 4.875 4.120 -0.003 0.000 0.316 641 V C -2.839 173.325 176.094 0.116 0.000 1.125 641 V CA -3.282 59.109 62.300 0.151 0.000 1.026 641 V CB 1.873 33.746 31.823 0.084 0.000 1.080 641 V HN 0.322 nan 8.190 nan 0.000 0.444 642 P HA 0.191 nan 4.420 nan 0.000 0.269 642 P C 0.717 178.024 177.300 0.012 0.000 1.209 642 P CA 0.307 63.479 63.100 0.120 0.000 0.776 642 P CB 0.730 32.551 31.700 0.203 0.000 0.876 643 S N -0.012 115.650 115.700 -0.064 0.000 2.607 643 S HA 0.049 4.517 4.470 -0.003 0.000 0.224 643 S C 0.342 174.756 174.600 -0.309 0.000 0.969 643 S CA 0.394 58.491 58.200 -0.172 0.000 0.927 643 S CB -0.457 62.635 63.200 -0.181 0.000 0.772 643 S HN 0.482 nan 8.310 nan 0.000 0.533 644 E N 0.367 120.325 120.200 -0.403 0.000 2.408 644 E HA 0.450 4.798 4.350 -0.003 0.000 0.275 644 E C -1.229 175.244 176.600 -0.211 0.000 0.935 644 E CA -0.786 55.321 56.400 -0.488 0.000 0.775 644 E CB 2.026 31.067 29.700 -1.099 0.000 1.277 644 E HN 0.076 nan 8.360 nan 0.000 0.455 645 S N 1.707 117.342 115.700 -0.108 0.000 2.562 645 S HA 0.035 4.503 4.470 -0.003 0.000 0.281 645 S C -0.128 174.572 174.600 0.167 0.000 1.333 645 S CA 0.068 58.285 58.200 0.029 0.000 1.052 645 S CB 0.121 63.333 63.200 0.019 0.000 0.884 645 S HN 0.655 nan 8.310 nan 0.000 0.506 646 D N -0.331 120.180 120.400 0.183 0.000 3.041 646 D HA -0.135 4.503 4.640 -0.003 0.000 0.220 646 D C -0.910 175.582 176.300 0.321 0.000 1.157 646 D CA 0.999 55.127 54.000 0.214 0.000 0.876 646 D CB -1.013 39.889 40.800 0.171 0.000 1.107 646 D HN 0.499 nan 8.370 nan 0.000 0.422 647 W N 0.106 121.408 121.300 0.003 0.000 2.576 647 W HA 0.733 5.391 4.660 -0.004 0.000 0.360 647 W C 0.516 177.048 176.519 0.022 0.000 1.109 647 W CA -0.412 56.927 57.345 -0.011 0.000 1.237 647 W CB 0.797 30.240 29.460 -0.029 0.000 1.369 647 W HN -0.179 nan 8.180 nan 0.000 0.609 648 L N 2.828 124.167 121.223 0.193 0.000 2.376 648 L HA 0.485 4.823 4.340 -0.003 0.000 0.258 648 L C -0.671 176.314 176.870 0.192 0.000 1.013 648 L CA -1.350 53.604 54.840 0.190 0.000 0.822 648 L CB 1.803 43.970 42.059 0.179 0.000 1.388 648 L HN 0.006 nan 8.230 nan 0.000 0.413 649 I N 1.550 122.254 120.570 0.224 0.000 2.365 649 I HA 0.261 4.429 4.170 -0.003 0.000 0.291 649 I C -0.643 175.643 176.117 0.281 0.000 1.004 649 I CA 0.069 61.489 61.300 0.200 0.000 1.311 649 I CB 0.943 39.048 38.000 0.175 0.000 1.401 649 I HN 0.337 nan 8.210 nan 0.000 0.491 650 F N 5.937 125.934 119.950 0.077 0.000 2.477 650 F HA 0.714 5.239 4.527 -0.003 0.000 0.335 650 F C -0.441 175.409 175.800 0.084 0.000 1.130 650 F CA -0.594 57.476 58.000 0.116 0.000 0.948 650 F CB 1.474 40.482 39.000 0.014 0.000 1.154 650 F HN 0.493 nan 8.300 nan 0.000 0.439 651 A N 4.772 127.453 122.820 -0.232 0.000 2.330 651 A HA 0.908 5.226 4.320 -0.003 0.000 0.313 651 A C -1.405 176.056 177.584 -0.206 0.000 1.124 651 A CA -0.289 51.700 52.037 -0.081 0.000 0.774 651 A CB 0.884 19.939 19.000 0.092 0.000 1.198 651 A HN 1.225 nan 8.150 nan 0.000 0.465 652 A N 3.116 125.912 122.820 -0.040 0.000 2.356 652 A HA 0.779 5.097 4.320 -0.003 0.000 0.310 652 A C -1.116 176.452 177.584 -0.027 0.000 1.075 652 A CA -0.517 51.506 52.037 -0.023 0.000 0.746 652 A CB 0.984 20.042 19.000 0.096 0.000 1.221 652 A HN 0.911 nan 8.150 nan 0.000 0.443 653 D N 1.220 121.597 120.400 -0.038 0.000 2.671 653 D HA 0.410 5.048 4.640 -0.003 0.000 0.232 653 D C -1.312 174.962 176.300 -0.043 0.000 1.114 653 D CA -0.347 53.645 54.000 -0.013 0.000 0.858 653 D CB 0.859 41.705 40.800 0.077 0.000 1.544 653 D HN 0.342 nan 8.370 nan 0.000 0.471 654 Y N 0.417 120.746 120.300 0.049 0.000 2.411 654 Y HA 0.214 4.762 4.550 -0.003 0.000 0.333 654 Y C 1.365 177.278 175.900 0.023 0.000 1.186 654 Y CA 0.130 58.244 58.100 0.023 0.000 1.381 654 Y CB 1.200 39.663 38.460 0.006 0.000 1.273 654 Y HN 0.307 nan 8.280 nan 0.000 0.546 655 S N 4.243 120.044 115.700 0.169 0.000 2.422 655 S HA 0.154 4.622 4.470 -0.003 0.000 0.298 655 S C -0.498 174.138 174.600 0.060 0.000 1.118 655 S CA -0.707 57.555 58.200 0.103 0.000 1.083 655 S CB -0.004 63.241 63.200 0.076 0.000 0.971 655 S HN 0.708 nan 8.310 nan 0.000 0.478 656 Q N 2.848 122.684 119.800 0.061 0.000 2.452 656 Q HA -0.216 4.122 4.340 -0.003 0.000 0.318 656 Q C 0.626 176.559 176.000 -0.111 0.000 1.386 656 Q CA 0.709 56.515 55.803 0.005 0.000 0.872 656 Q CB -2.189 26.577 28.738 0.047 0.000 1.151 656 Q HN 0.910 nan 8.270 nan 0.000 0.417 657 I N -0.592 119.941 120.570 -0.062 0.000 2.286 657 I HA -0.273 3.895 4.170 -0.003 0.000 0.248 657 I C 2.059 178.073 176.117 -0.173 0.000 1.115 657 I CA 1.533 62.728 61.300 -0.175 0.000 1.392 657 I CB 0.233 38.090 38.000 -0.238 0.000 1.065 657 I HN 0.361 nan 8.210 nan 0.000 0.418 658 E N 0.496 120.652 120.200 -0.073 0.000 2.051 658 E HA -0.240 4.108 4.350 -0.003 0.000 0.192 658 E C 2.242 178.799 176.600 -0.072 0.000 0.991 658 E CA 1.431 57.807 56.400 -0.041 0.000 0.799 658 E CB -0.171 29.561 29.700 0.053 0.000 0.748 658 E HN 0.523 nan 8.360 nan 0.000 0.449 659 L N 0.373 121.554 121.223 -0.071 0.000 2.156 659 L HA -0.115 4.223 4.340 -0.003 0.000 0.208 659 L C 2.526 179.304 176.870 -0.152 0.000 1.095 659 L CA 0.835 55.668 54.840 -0.012 0.000 0.770 659 L CB -0.182 41.988 42.059 0.185 0.000 0.914 659 L HN 0.035 nan 8.230 nan 0.000 0.439 660 R N -0.821 119.349 120.500 -0.549 0.000 2.075 660 R HA -0.101 4.237 4.340 -0.003 0.000 0.232 660 R C 2.257 178.387 176.300 -0.283 0.000 1.126 660 R CA 0.980 56.645 56.100 -0.725 0.000 0.963 660 R CB -0.364 29.466 30.300 -0.784 0.000 0.858 660 R HN 0.140 nan 8.270 nan 0.000 0.435 661 V N 1.428 121.208 119.914 -0.223 0.000 2.343 661 V HA -0.223 3.895 4.120 -0.003 0.000 0.247 661 V C 2.173 178.215 176.094 -0.088 0.000 1.051 661 V CA 1.503 63.719 62.300 -0.140 0.000 1.036 661 V CB -0.411 31.325 31.823 -0.144 0.000 0.654 661 V HN 0.251 nan 8.190 nan 0.000 0.451 662 L N 1.047 122.203 121.223 -0.111 0.000 2.042 662 L HA -0.112 4.226 4.340 -0.003 0.000 0.210 662 L C 2.421 179.227 176.870 -0.107 0.000 1.076 662 L CA 2.469 57.217 54.840 -0.153 0.000 0.749 662 L CB -1.012 40.992 42.059 -0.092 0.000 0.893 662 L HN 0.220 nan 8.230 nan 0.000 0.432 663 A N -1.249 121.567 122.820 -0.006 0.000 1.902 663 A HA -0.308 4.010 4.320 -0.003 0.000 0.217 663 A C 2.285 179.887 177.584 0.030 0.000 1.181 663 A CA 1.853 53.927 52.037 0.062 0.000 0.623 663 A CB -1.082 18.038 19.000 0.199 0.000 0.818 663 A HN 0.772 nan 8.150 nan 0.000 0.443 664 H N -0.203 118.824 119.070 -0.072 0.000 2.293 664 H HA -0.025 4.529 4.556 -0.003 0.000 0.300 664 H C 1.758 177.038 175.328 -0.080 0.000 1.082 664 H CA 2.093 58.099 56.048 -0.069 0.000 1.308 664 H CB -0.245 29.463 29.762 -0.090 0.000 1.375 664 H HN 0.402 nan 8.280 nan 0.000 0.495 665 I N 0.257 120.756 120.570 -0.117 0.000 2.226 665 I HA -0.204 3.964 4.170 -0.003 0.000 0.245 665 I C 2.594 178.581 176.117 -0.218 0.000 1.100 665 I CA 1.107 62.289 61.300 -0.197 0.000 1.374 665 I CB -0.409 37.452 38.000 -0.231 0.000 1.057 665 I HN 0.455 nan 8.210 nan 0.000 0.413 666 A N -0.386 122.290 122.820 -0.240 0.000 2.067 666 A HA -0.089 4.229 4.320 -0.003 0.000 0.217 666 A C 1.113 178.685 177.584 -0.020 0.000 1.156 666 A CA 0.387 52.372 52.037 -0.087 0.000 0.683 666 A CB -0.303 18.665 19.000 -0.054 0.000 0.808 666 A HN 0.513 nan 8.150 nan 0.000 0.455 667 E N 0.309 120.469 120.200 -0.067 0.000 2.389 667 E HA -0.181 4.167 4.350 -0.003 0.000 0.243 667 E C -0.660 175.950 176.600 0.017 0.000 1.154 667 E CA 0.622 56.995 56.400 -0.045 0.000 0.723 667 E CB -1.329 28.335 29.700 -0.060 0.000 1.261 667 E HN 0.730 nan 8.360 nan 0.000 0.390 668 D N 0.540 120.971 120.400 0.053 0.000 2.325 668 D HA -0.002 4.636 4.640 -0.003 0.000 0.251 668 D C 0.797 177.154 176.300 0.095 0.000 1.196 668 D CA -0.217 53.844 54.000 0.102 0.000 0.866 668 D CB 0.753 41.656 40.800 0.171 0.000 1.101 668 D HN 0.044 nan 8.370 nan 0.000 0.476 669 D N 3.383 123.821 120.400 0.064 0.000 2.104 669 D HA -0.202 4.436 4.640 -0.003 0.000 0.194 669 D C 1.499 177.829 176.300 0.050 0.000 0.994 669 D CA 0.982 55.008 54.000 0.043 0.000 0.830 669 D CB 0.064 40.872 40.800 0.013 0.000 0.959 669 D HN 0.481 nan 8.370 nan 0.000 0.452 670 N N 0.493 119.222 118.700 0.048 0.000 2.084 670 N HA -0.139 4.599 4.740 -0.003 0.000 0.190 670 N C 1.754 177.362 175.510 0.164 0.000 1.030 670 N CA 0.604 53.668 53.050 0.023 0.000 0.849 670 N CB -0.400 37.971 38.487 -0.194 0.000 1.012 670 N HN 0.051 nan 8.380 nan 0.000 0.423 671 L N 0.360 121.764 121.223 0.303 0.000 2.056 671 L HA 0.070 4.408 4.340 -0.003 0.000 0.207 671 L C 2.212 179.166 176.870 0.141 0.000 1.078 671 L CA 1.398 56.349 54.840 0.186 0.000 0.749 671 L CB -0.485 41.634 42.059 0.100 0.000 0.901 671 L HN 0.270 nan 8.230 nan 0.000 0.433 672 M N -1.156 118.538 119.600 0.156 0.000 2.117 672 M HA -0.205 4.273 4.480 -0.003 0.000 0.262 672 M C 2.165 178.541 176.300 0.126 0.000 1.065 672 M CA 1.839 57.239 55.300 0.168 0.000 1.114 672 M CB -0.370 32.295 32.600 0.109 0.000 1.361 672 M HN 0.229 nan 8.290 nan 0.000 0.408 673 E N 0.903 121.143 120.200 0.068 0.000 2.077 673 E HA -0.158 4.190 4.350 -0.003 0.000 0.193 673 E C 1.819 178.421 176.600 0.002 0.000 0.989 673 E CA 1.933 58.353 56.400 0.032 0.000 0.800 673 E CB -0.209 29.495 29.700 0.008 0.000 0.746 673 E HN 0.386 nan 8.360 nan 0.000 0.452 674 A N -0.145 122.645 122.820 -0.051 0.000 1.873 674 A HA -0.186 4.132 4.320 -0.003 0.000 0.218 674 A C 2.103 179.562 177.584 -0.209 0.000 1.193 674 A CA 1.815 53.743 52.037 -0.181 0.000 0.629 674 A CB -1.080 17.728 19.000 -0.321 0.000 0.826 674 A HN 0.396 nan 8.150 nan 0.000 0.447 675 F N -0.449 119.501 119.950 -0.001 0.000 2.325 675 F HA 0.006 4.531 4.527 -0.003 0.000 0.299 675 F C 2.452 178.251 175.800 -0.001 0.000 1.090 675 F CA 1.172 59.166 58.000 -0.010 0.000 1.392 675 F CB -0.330 38.661 39.000 -0.015 0.000 1.053 675 F HN 0.114 nan 8.300 nan 0.000 0.521 676 R N -0.085 120.513 120.500 0.163 0.000 2.148 676 R HA -0.050 4.288 4.340 -0.003 0.000 0.227 676 R C 1.758 178.097 176.300 0.064 0.000 1.103 676 R CA 0.892 57.052 56.100 0.100 0.000 0.983 676 R CB -0.186 30.157 30.300 0.072 0.000 0.874 676 R HN 0.229 nan 8.270 nan 0.000 0.451 677 R N 0.311 120.835 120.500 0.040 0.000 2.317 677 R HA -0.007 4.331 4.340 -0.003 0.000 0.208 677 R C -0.132 176.181 176.300 0.021 0.000 0.914 677 R CA 0.148 56.258 56.100 0.016 0.000 1.060 677 R CB 0.111 30.404 30.300 -0.011 0.000 1.015 677 R HN 0.046 nan 8.270 nan 0.000 0.498 678 D N 0.682 121.116 120.400 0.057 0.000 2.708 678 D HA -0.169 4.469 4.640 -0.003 0.000 0.236 678 D C -0.961 175.350 176.300 0.019 0.000 1.146 678 D CA 0.419 54.465 54.000 0.077 0.000 0.662 678 D CB -0.668 40.172 40.800 0.066 0.000 1.059 678 D HN -0.042 nan 8.370 nan 0.000 0.428 679 L N 0.977 122.172 121.223 -0.047 0.000 2.464 679 L HA 0.243 4.581 4.340 -0.003 0.000 0.264 679 L C 0.990 177.795 176.870 -0.109 0.000 1.199 679 L CA 0.091 54.879 54.840 -0.086 0.000 0.818 679 L CB 0.627 42.608 42.059 -0.131 0.000 1.102 679 L HN 0.141 nan 8.230 nan 0.000 0.473 680 D N 1.700 122.050 120.400 -0.084 0.000 2.342 680 D HA -0.072 4.566 4.640 -0.003 0.000 0.260 680 D C 1.183 177.382 176.300 -0.169 0.000 1.278 680 D CA -0.117 53.831 54.000 -0.088 0.000 0.910 680 D CB 0.646 41.424 40.800 -0.036 0.000 1.079 680 D HN 0.442 nan 8.370 nan 0.000 0.496 681 I N 5.481 125.874 120.570 -0.294 0.000 2.361 681 I HA -0.256 3.912 4.170 -0.003 0.000 0.251 681 I C 1.787 177.708 176.117 -0.325 0.000 1.133 681 I CA 1.443 62.495 61.300 -0.415 0.000 1.413 681 I CB -0.224 37.459 38.000 -0.528 0.000 1.073 681 I HN 0.498 nan 8.210 nan 0.000 0.424 682 H N -0.694 118.318 119.070 -0.097 0.000 2.395 682 H HA 0.011 4.565 4.556 -0.003 0.000 0.299 682 H C 2.191 177.492 175.328 -0.045 0.000 1.070 682 H CA 1.779 57.776 56.048 -0.084 0.000 1.356 682 H CB -0.847 28.863 29.762 -0.087 0.000 1.401 682 H HN 0.282 nan 8.280 nan 0.000 0.524 683 T N 1.160 115.750 114.554 0.060 0.000 2.821 683 T HA -0.122 4.226 4.350 -0.003 0.000 0.267 683 T C 2.105 176.815 174.700 0.016 0.000 1.046 683 T CA 1.617 63.741 62.100 0.040 0.000 1.139 683 T CB 0.107 68.985 68.868 0.017 0.000 0.871 683 T HN 0.180 nan 8.240 nan 0.000 0.454 684 K N 1.352 121.737 120.400 -0.026 0.000 2.057 684 K HA -0.055 4.263 4.320 -0.003 0.000 0.207 684 K C 2.192 178.802 176.600 0.016 0.000 1.049 684 K CA 1.712 57.982 56.287 -0.029 0.000 0.931 684 K CB -0.941 31.511 32.500 -0.080 0.000 0.714 684 K HN 0.208 nan 8.250 nan 0.000 0.440 685 T N 0.504 115.080 114.554 0.036 0.000 2.746 685 T HA -0.071 4.277 4.350 -0.003 0.000 0.267 685 T C 1.832 176.520 174.700 -0.020 0.000 1.039 685 T CA 1.362 63.515 62.100 0.088 0.000 1.142 685 T CB -0.537 68.386 68.868 0.091 0.000 0.866 685 T HN 0.399 nan 8.240 nan 0.000 0.444 686 A N 1.543 124.366 122.820 0.004 0.000 1.883 686 A HA -0.103 4.215 4.320 -0.003 0.000 0.217 686 A C 2.346 179.979 177.584 0.082 0.000 1.186 686 A CA 1.708 53.779 52.037 0.057 0.000 0.624 686 A CB -0.761 18.379 19.000 0.233 0.000 0.822 686 A HN 0.454 nan 8.150 nan 0.000 0.444 687 M N -0.529 119.107 119.600 0.060 0.000 2.080 687 M HA -0.195 4.283 4.480 -0.003 0.000 0.260 687 M C 1.615 177.907 176.300 -0.013 0.000 1.068 687 M CA 1.880 57.205 55.300 0.041 0.000 1.109 687 M CB -0.550 32.054 32.600 0.006 0.000 1.342 687 M HN 0.354 nan 8.290 nan 0.000 0.405 688 D N 0.508 120.863 120.400 -0.075 0.000 2.091 688 D HA -0.087 4.551 4.640 -0.003 0.000 0.199 688 D C 1.898 178.104 176.300 -0.156 0.000 0.980 688 D CA 1.508 55.421 54.000 -0.145 0.000 0.831 688 D CB -0.405 40.244 40.800 -0.252 0.000 0.987 688 D HN 0.540 nan 8.370 nan 0.000 0.460 689 I N -2.574 117.854 120.570 -0.237 0.000 2.676 689 I HA -0.086 4.082 4.170 -0.003 0.000 0.259 689 I C 1.249 177.179 176.117 -0.310 0.000 1.194 689 I CA 1.072 62.181 61.300 -0.318 0.000 1.473 689 I CB -0.308 37.398 38.000 -0.490 0.000 1.096 689 I HN -0.234 nan 8.210 nan 0.000 0.443 690 F N 1.401 121.344 119.950 -0.012 0.000 2.695 690 F HA 0.311 4.836 4.527 -0.003 0.000 0.303 690 F C 0.628 176.432 175.800 0.007 0.000 1.091 690 F CA -0.705 57.293 58.000 -0.004 0.000 1.300 690 F CB -0.569 38.401 39.000 -0.050 0.000 1.071 690 F HN 0.121 nan 8.300 nan 0.000 0.578 691 Q N 0.758 120.628 119.800 0.117 0.000 2.454 691 Q HA -0.103 4.235 4.340 -0.003 0.000 0.341 691 Q C -0.790 175.253 176.000 0.071 0.000 1.437 691 Q CA 0.474 56.315 55.803 0.064 0.000 0.935 691 Q CB -1.611 27.162 28.738 0.059 0.000 1.164 691 Q HN 0.312 nan 8.270 nan 0.000 0.373 692 V N -3.187 116.768 119.914 0.068 0.000 3.159 692 V HA 0.870 4.988 4.120 -0.003 0.000 0.308 692 V C 0.302 176.414 176.094 0.029 0.000 1.190 692 V CA -0.477 61.853 62.300 0.050 0.000 1.037 692 V CB 2.202 34.062 31.823 0.063 0.000 1.060 692 V HN 0.404 nan 8.190 nan 0.000 0.437 693 S N -0.262 115.447 115.700 0.016 0.000 2.614 693 S HA 0.320 4.788 4.470 -0.003 0.000 0.265 693 S C 0.926 175.531 174.600 0.009 0.000 1.303 693 S CA 0.564 58.767 58.200 0.006 0.000 1.000 693 S CB 1.135 64.335 63.200 0.000 0.000 0.935 693 S HN 1.075 nan 8.310 nan 0.000 0.551 694 E N 0.680 120.881 120.200 0.002 0.000 2.070 694 E HA -0.263 4.085 4.350 -0.003 0.000 0.197 694 E C 0.920 177.522 176.600 0.003 0.000 1.004 694 E CA 1.932 58.334 56.400 0.003 0.000 0.805 694 E CB -0.371 29.326 29.700 -0.004 0.000 0.744 694 E HN 0.784 nan 8.360 nan 0.000 0.451 695 D N 0.161 120.560 120.400 -0.001 0.000 2.265 695 D HA -0.141 4.497 4.640 -0.003 0.000 0.208 695 D C 1.138 177.436 176.300 -0.004 0.000 0.977 695 D CA 0.986 54.985 54.000 -0.003 0.000 0.871 695 D CB -0.018 40.779 40.800 -0.005 0.000 0.925 695 D HN 0.348 nan 8.370 nan 0.000 0.485 696 E N -0.419 119.781 120.200 -0.001 0.000 2.479 696 E HA 0.060 4.408 4.350 -0.003 0.000 0.193 696 E C -0.126 176.468 176.600 -0.009 0.000 1.049 696 E CA -0.099 56.298 56.400 -0.005 0.000 0.870 696 E CB 0.825 30.525 29.700 0.000 0.000 0.944 696 E HN 0.028 nan 8.360 nan 0.000 0.492 697 V N 3.156 123.072 119.914 0.004 0.000 2.439 697 V HA 0.011 4.129 4.120 -0.003 0.000 0.271 697 V C 0.762 176.847 176.094 -0.015 0.000 1.040 697 V CA -0.082 62.223 62.300 0.008 0.000 1.002 697 V CB 0.408 32.253 31.823 0.036 0.000 1.000 697 V HN 0.224 nan 8.190 nan 0.000 0.477 698 T N 3.727 118.255 114.554 -0.044 0.000 2.847 698 T HA 0.341 4.689 4.350 -0.003 0.000 0.279 698 T C -1.702 172.976 174.700 -0.038 0.000 0.984 698 T CA -1.792 60.280 62.100 -0.048 0.000 0.988 698 T CB 1.388 70.211 68.868 -0.074 0.000 1.040 698 T HN 0.355 nan 8.240 nan 0.000 0.528 699 P HA -0.046 nan 4.420 nan 0.000 0.215 699 P C 1.452 178.734 177.300 -0.031 0.000 1.153 699 P CA 1.016 64.101 63.100 -0.024 0.000 0.853 699 P CB -0.037 31.650 31.700 -0.022 0.000 0.788 700 N N -1.463 117.207 118.700 -0.048 0.000 2.244 700 N HA -0.099 4.639 4.740 -0.003 0.000 0.183 700 N C 1.751 177.217 175.510 -0.073 0.000 1.016 700 N CA 0.716 53.733 53.050 -0.056 0.000 0.866 700 N CB -0.220 38.226 38.487 -0.068 0.000 0.980 700 N HN 0.068 nan 8.380 nan 0.000 0.430 701 M N 0.396 119.931 119.600 -0.109 0.000 2.086 701 M HA -0.165 4.314 4.480 -0.003 0.000 0.261 701 M C 2.353 178.706 176.300 0.088 0.000 1.067 701 M CA 1.305 56.535 55.300 -0.115 0.000 1.116 701 M CB -0.093 32.398 32.600 -0.182 0.000 1.348 701 M HN 0.098 nan 8.290 nan 0.000 0.407 702 R N 0.030 120.557 120.500 0.046 0.000 2.081 702 R HA -0.193 4.145 4.340 -0.003 0.000 0.235 702 R C 2.279 178.581 176.300 0.003 0.000 1.131 702 R CA 1.797 57.929 56.100 0.053 0.000 0.960 702 R CB -0.265 30.056 30.300 0.034 0.000 0.856 702 R HN 0.277 nan 8.270 nan 0.000 0.436 703 R N 0.207 120.697 120.500 -0.018 0.000 2.083 703 R HA -0.231 4.107 4.340 -0.003 0.000 0.237 703 R C 2.311 178.593 176.300 -0.031 0.000 1.137 703 R CA 2.193 58.268 56.100 -0.042 0.000 0.951 703 R CB -0.212 30.074 30.300 -0.024 0.000 0.851 703 R HN 0.226 nan 8.270 nan 0.000 0.434 704 Q N 0.020 119.827 119.800 0.011 0.000 2.084 704 Q HA -0.073 4.265 4.340 -0.003 0.000 0.202 704 Q C 1.848 177.857 176.000 0.015 0.000 0.978 704 Q CA 2.078 57.903 55.803 0.035 0.000 0.844 704 Q CB -0.216 28.569 28.738 0.078 0.000 0.898 704 Q HN 0.469 nan 8.270 nan 0.000 0.426 705 A N 0.543 123.391 122.820 0.047 0.000 1.972 705 A HA -0.194 4.124 4.320 -0.003 0.000 0.219 705 A C 2.019 179.566 177.584 -0.062 0.000 1.169 705 A CA 1.628 53.653 52.037 -0.019 0.000 0.635 705 A CB -0.581 18.444 19.000 0.041 0.000 0.810 705 A HN 0.384 nan 8.150 nan 0.000 0.446 706 K N -0.187 120.119 120.400 -0.157 0.000 2.057 706 K HA -0.053 4.265 4.320 -0.003 0.000 0.206 706 K C 2.145 178.574 176.600 -0.285 0.000 1.050 706 K CA 1.140 57.157 56.287 -0.450 0.000 0.935 706 K CB -0.326 31.726 32.500 -0.746 0.000 0.715 706 K HN 0.340 nan 8.250 nan 0.000 0.439 707 A N 0.843 123.600 122.820 -0.104 0.000 1.933 707 A HA -0.103 4.215 4.320 -0.003 0.000 0.218 707 A C 2.216 179.780 177.584 -0.034 0.000 1.175 707 A CA 1.550 53.596 52.037 0.016 0.000 0.628 707 A CB -0.567 18.456 19.000 0.038 0.000 0.814 707 A HN 0.183 nan 8.150 nan 0.000 0.444 708 V N 0.881 120.739 119.914 -0.093 0.000 2.343 708 V HA -0.251 3.867 4.120 -0.003 0.000 0.247 708 V C 2.326 178.268 176.094 -0.255 0.000 1.051 708 V CA 2.070 64.274 62.300 -0.160 0.000 1.036 708 V CB -0.927 30.791 31.823 -0.175 0.000 0.654 708 V HN 0.551 nan 8.190 nan 0.000 0.451 709 N N -0.050 118.512 118.700 -0.231 0.000 2.104 709 N HA -0.139 4.599 4.740 -0.003 0.000 0.190 709 N C 1.795 177.136 175.510 -0.282 0.000 1.024 709 N CA 1.677 54.566 53.050 -0.267 0.000 0.853 709 N CB -0.464 37.919 38.487 -0.173 0.000 1.008 709 N HN 0.520 nan 8.380 nan 0.000 0.424 710 F N 0.859 120.636 119.950 -0.290 0.000 2.186 710 F HA -0.076 4.449 4.527 -0.003 0.000 0.299 710 F C 2.525 177.928 175.800 -0.661 0.000 1.090 710 F CA 0.677 58.332 58.000 -0.576 0.000 1.307 710 F CB -0.329 38.340 39.000 -0.551 0.000 1.019 710 F HN 0.119 nan 8.300 nan 0.000 0.489 711 G N 0.297 109.001 108.800 -0.161 0.000 2.421 711 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.216 711 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.216 711 G C 1.483 176.320 174.900 -0.105 0.000 1.171 711 G CA 0.887 45.931 45.100 -0.094 0.000 0.775 711 G HN 0.164 nan 8.290 nan 0.000 0.543 712 I N 0.577 121.014 120.570 -0.222 0.000 2.163 712 I HA -0.132 4.036 4.170 -0.003 0.000 0.243 712 I C 2.911 179.009 176.117 -0.032 0.000 1.085 712 I CA 0.668 61.846 61.300 -0.203 0.000 1.347 712 I CB -0.428 37.292 38.000 -0.467 0.000 1.044 712 I HN 0.042 nan 8.210 nan 0.000 0.408 713 V N -0.556 119.324 119.914 -0.057 0.000 2.407 713 V HA -0.278 3.840 4.120 -0.003 0.000 0.248 713 V C 2.166 178.391 176.094 0.218 0.000 1.055 713 V CA 1.484 63.819 62.300 0.058 0.000 1.049 713 V CB -0.813 31.028 31.823 0.030 0.000 0.662 713 V HN 0.340 nan 8.190 nan 0.000 0.455 714 Y N 0.582 120.930 120.300 0.080 0.000 2.516 714 Y HA 0.392 4.940 4.550 -0.003 0.000 0.291 714 Y C 1.514 177.434 175.900 0.035 0.000 1.131 714 Y CA 0.196 58.328 58.100 0.054 0.000 1.281 714 Y CB -0.696 37.786 38.460 0.037 0.000 1.013 714 Y HN 0.348 nan 8.280 nan 0.000 0.554 715 G N 0.837 109.748 108.800 0.184 0.000 3.373 715 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.685 715 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.685 715 G C -0.847 174.091 174.900 0.063 0.000 1.166 715 G CA -0.954 44.209 45.100 0.105 0.000 1.063 715 G HN 0.004 nan 8.290 nan 0.000 0.481 716 I N 3.465 124.082 120.570 0.078 0.000 2.241 716 I HA 0.219 4.387 4.170 -0.003 0.000 0.294 716 I C 1.354 177.502 176.117 0.051 0.000 1.145 716 I CA -0.280 61.067 61.300 0.078 0.000 1.261 716 I CB -0.221 37.872 38.000 0.154 0.000 1.475 716 I HN 0.648 nan 8.210 nan 0.000 0.533 717 S N 2.881 118.557 115.700 -0.040 0.000 2.601 717 S HA 0.122 4.590 4.470 -0.003 0.000 0.271 717 S C 1.105 175.713 174.600 0.014 0.000 1.305 717 S CA -0.694 57.427 58.200 -0.132 0.000 1.022 717 S CB 1.843 64.784 63.200 -0.431 0.000 0.940 717 S HN 0.603 nan 8.310 nan 0.000 0.525 718 D N 0.429 120.908 120.400 0.132 0.000 2.401 718 D HA -0.204 4.434 4.640 -0.003 0.000 0.217 718 D C -0.163 176.442 176.300 0.507 0.000 0.978 718 D CA 1.327 55.535 54.000 0.347 0.000 0.951 718 D CB -0.059 41.005 40.800 0.441 0.000 0.879 718 D HN 0.820 nan 8.370 nan 0.000 0.497 719 Y N -2.045 118.112 120.300 -0.238 0.000 2.734 719 Y HA 0.381 4.929 4.550 -0.003 0.000 0.251 719 Y C 0.975 176.811 175.900 -0.107 0.000 1.049 719 Y CA -0.907 57.083 58.100 -0.182 0.000 1.103 719 Y CB 1.002 39.227 38.460 -0.391 0.000 1.201 719 Y HN -0.088 nan 8.280 nan 0.000 0.618 720 G N 0.403 109.229 108.800 0.044 0.000 3.265 720 G HA2 0.614 4.572 3.960 -0.003 0.000 0.171 720 G HA3 0.614 4.572 3.960 -0.003 0.000 0.171 720 G C -0.669 174.260 174.900 0.049 0.000 1.110 720 G CA -0.893 44.219 45.100 0.020 0.000 0.855 720 G HN 0.249 nan 8.290 nan 0.000 0.658 721 L N -1.419 119.830 121.223 0.043 0.000 0.917 721 L HA 0.119 4.457 4.340 -0.003 0.000 0.366 721 L C 0.601 177.511 176.870 0.066 0.000 1.004 721 L CA 0.370 55.246 54.840 0.060 0.000 1.219 721 L CB -1.640 40.455 42.059 0.060 0.000 0.252 721 L HN 2.365 nan 8.230 nan 0.000 0.192 722 A N 0.572 123.434 122.820 0.070 0.000 3.570 722 A HA -0.131 4.187 4.320 -0.003 0.000 0.194 722 A C 1.164 178.790 177.584 0.069 0.000 1.297 722 A CA 1.033 53.113 52.037 0.071 0.000 1.173 722 A CB -1.183 17.856 19.000 0.064 0.000 0.813 722 A HN 0.924 nan 8.150 nan 0.000 0.391 723 Q N -0.222 119.615 119.800 0.063 0.000 2.303 723 Q HA -0.385 3.953 4.340 -0.003 0.000 0.221 723 Q C 0.674 176.711 176.000 0.062 0.000 1.081 723 Q CA 2.515 58.354 55.803 0.060 0.000 0.985 723 Q CB -0.462 28.312 28.738 0.059 0.000 1.093 723 Q HN 0.718 nan 8.270 nan 0.000 0.464 724 N N 1.175 119.914 118.700 0.066 0.000 2.586 724 N HA 0.065 4.803 4.740 -0.003 0.000 0.206 724 N C 0.279 175.829 175.510 0.067 0.000 1.377 724 N CA 0.938 54.027 53.050 0.065 0.000 0.871 724 N CB -1.077 37.450 38.487 0.067 0.000 1.107 724 N HN 0.426 nan 8.380 nan 0.000 0.462 725 L N -3.610 117.652 121.223 0.065 0.000 6.991 725 L HA -0.392 3.946 4.340 -0.003 0.000 0.084 725 L C 0.103 177.016 176.870 0.073 0.000 1.353 725 L CA 0.598 55.477 54.840 0.063 0.000 1.687 725 L CB -0.836 41.257 42.059 0.057 0.000 2.662 725 L HN 0.329 nan 8.230 nan 0.000 1.067 726 N N -0.233 118.507 118.700 0.066 0.000 2.371 726 N HA -0.206 4.532 4.740 -0.003 0.000 0.286 726 N C 0.481 176.040 175.510 0.082 0.000 1.438 726 N CA 1.128 54.222 53.050 0.074 0.000 0.640 726 N CB -0.345 38.195 38.487 0.087 0.000 0.914 726 N HN 1.317 nan 8.380 nan 0.000 0.495 727 I N 2.033 122.639 120.570 0.059 0.000 4.234 727 I HA -0.504 3.664 4.170 -0.003 0.000 0.094 727 I C 1.358 177.497 176.117 0.037 0.000 0.565 727 I CA 3.832 65.158 61.300 0.042 0.000 1.073 727 I CB -1.799 36.221 38.000 0.033 0.000 0.953 727 I HN 1.475 nan 8.210 nan 0.000 0.189 728 S N -0.512 115.223 115.700 0.058 0.000 3.687 728 S HA -0.446 4.022 4.470 -0.003 0.000 0.619 728 S C 1.010 175.622 174.600 0.021 0.000 2.483 728 S CA 2.197 60.430 58.200 0.055 0.000 4.088 728 S CB -1.194 62.042 63.200 0.059 0.000 0.326 728 S HN 1.057 nan 8.310 nan 0.000 0.982 729 R N 0.401 120.917 120.500 0.027 0.000 3.517 729 R HA -0.339 3.999 4.340 -0.003 0.000 0.577 729 R C 1.787 178.084 176.300 -0.006 0.000 0.241 729 R CA 2.159 58.268 56.100 0.016 0.000 1.784 729 R CB -1.578 28.728 30.300 0.011 0.000 0.850 729 R HN 0.803 nan 8.270 nan 0.000 0.625 730 K N 1.061 121.448 120.400 -0.022 0.000 2.074 730 K HA -0.209 4.109 4.320 -0.003 0.000 0.209 730 K C 2.188 178.724 176.600 -0.106 0.000 1.048 730 K CA 2.200 58.460 56.287 -0.044 0.000 0.926 730 K CB -0.216 32.259 32.500 -0.041 0.000 0.713 730 K HN 0.385 nan 8.250 nan 0.000 0.444 731 E N 0.217 120.325 120.200 -0.153 0.000 2.072 731 E HA -0.145 4.203 4.350 -0.003 0.000 0.191 731 E C 2.089 178.434 176.600 -0.426 0.000 0.985 731 E CA 0.832 57.016 56.400 -0.360 0.000 0.801 731 E CB -0.071 29.427 29.700 -0.336 0.000 0.750 731 E HN 0.340 nan 8.360 nan 0.000 0.452 732 A N 1.478 124.221 122.820 -0.128 0.000 1.940 732 A HA -0.163 4.155 4.320 -0.003 0.000 0.219 732 A C 2.361 179.953 177.584 0.013 0.000 1.176 732 A CA 1.771 53.828 52.037 0.033 0.000 0.631 732 A CB -0.568 18.478 19.000 0.076 0.000 0.814 732 A HN 0.300 nan 8.150 nan 0.000 0.446 733 A N -0.511 122.297 122.820 -0.020 0.000 1.969 733 A HA -0.075 4.243 4.320 -0.003 0.000 0.218 733 A C 1.953 179.535 177.584 -0.004 0.000 1.169 733 A CA 1.993 54.039 52.037 0.016 0.000 0.635 733 A CB -0.378 18.637 19.000 0.023 0.000 0.810 733 A HN 0.538 nan 8.150 nan 0.000 0.445 734 E N -0.509 119.623 120.200 -0.113 0.000 2.072 734 E HA -0.118 4.230 4.350 -0.003 0.000 0.191 734 E C 1.463 178.047 176.600 -0.027 0.000 0.985 734 E CA 1.276 57.602 56.400 -0.124 0.000 0.801 734 E CB -0.427 29.114 29.700 -0.265 0.000 0.750 734 E HN 0.508 nan 8.360 nan 0.000 0.452 735 F N 0.397 120.366 119.950 0.031 0.000 2.113 735 F HA -0.079 4.446 4.527 -0.003 0.000 0.297 735 F C 2.174 177.949 175.800 -0.041 0.000 1.103 735 F CA 0.551 58.546 58.000 -0.009 0.000 1.248 735 F CB -0.674 38.323 39.000 -0.004 0.000 0.999 735 F HN 0.098 nan 8.300 nan 0.000 0.475 736 I N 0.313 120.956 120.570 0.122 0.000 2.208 736 I HA -0.278 3.890 4.170 -0.003 0.000 0.245 736 I C 2.408 178.506 176.117 -0.032 0.000 1.097 736 I CA 1.450 62.707 61.300 -0.072 0.000 1.363 736 I CB -1.310 36.656 38.000 -0.056 0.000 1.051 736 I HN 0.282 nan 8.210 nan 0.000 0.413 737 E N 0.696 120.967 120.200 0.118 0.000 2.077 737 E HA -0.223 4.125 4.350 -0.003 0.000 0.193 737 E C 2.327 179.028 176.600 0.168 0.000 0.989 737 E CA 0.986 57.505 56.400 0.198 0.000 0.800 737 E CB 0.141 29.925 29.700 0.140 0.000 0.746 737 E HN 0.253 nan 8.360 nan 0.000 0.452 738 R N -0.149 120.429 120.500 0.129 0.000 2.081 738 R HA -0.177 4.161 4.340 -0.003 0.000 0.235 738 R C 2.246 178.587 176.300 0.068 0.000 1.131 738 R CA 1.416 57.572 56.100 0.094 0.000 0.960 738 R CB -1.233 29.135 30.300 0.113 0.000 0.856 738 R HN 0.402 nan 8.270 nan 0.000 0.436 739 Y N 0.743 121.013 120.300 -0.051 0.000 2.128 739 Y HA -0.223 4.325 4.550 -0.003 0.000 0.284 739 Y C 1.939 177.893 175.900 0.090 0.000 1.154 739 Y CA 1.491 59.572 58.100 -0.032 0.000 1.149 739 Y CB -0.424 37.907 38.460 -0.214 0.000 0.976 739 Y HN -0.130 nan 8.280 nan 0.000 0.505 740 F N 0.850 121.003 119.950 0.339 0.000 2.365 740 F HA -0.106 4.419 4.527 -0.003 0.000 0.300 740 F C 2.206 178.043 175.800 0.061 0.000 1.090 740 F CA 1.295 59.433 58.000 0.230 0.000 1.408 740 F CB -0.670 38.457 39.000 0.213 0.000 1.060 740 F HN 0.221 nan 8.300 nan 0.000 0.534 741 E N -0.724 119.575 120.200 0.164 0.000 2.112 741 E HA -0.099 4.249 4.350 -0.003 0.000 0.190 741 E C 2.215 178.748 176.600 -0.110 0.000 0.979 741 E CA 1.219 57.641 56.400 0.036 0.000 0.814 741 E CB -0.122 29.588 29.700 0.017 0.000 0.762 741 E HN 0.205 nan 8.360 nan 0.000 0.460 742 S N 0.092 115.631 115.700 -0.268 0.000 2.436 742 S HA 0.022 4.490 4.470 -0.003 0.000 0.228 742 S C 0.273 174.314 174.600 -0.932 0.000 1.014 742 S CA 0.591 58.407 58.200 -0.640 0.000 0.950 742 S CB 0.150 62.825 63.200 -0.875 0.000 0.784 742 S HN 0.108 nan 8.310 nan 0.000 0.504 743 F N 1.426 121.236 119.950 -0.233 0.000 2.523 743 F HA 0.355 4.880 4.527 -0.003 0.000 0.322 743 F C -1.899 173.927 175.800 0.043 0.000 1.361 743 F CA -2.370 55.532 58.000 -0.163 0.000 1.151 743 F CB 1.094 39.867 39.000 -0.378 0.000 1.391 743 F HN -0.037 nan 8.300 nan 0.000 0.566 744 P HA -0.147 nan 4.420 nan 0.000 0.218 744 P C 1.701 179.082 177.300 0.135 0.000 1.148 744 P CA 1.530 64.704 63.100 0.124 0.000 0.822 744 P CB 0.343 32.072 31.700 0.048 0.000 0.784 745 G N 0.278 109.166 108.800 0.147 0.000 2.408 745 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.217 745 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.217 745 G C 1.710 176.729 174.900 0.197 0.000 1.150 745 G CA 0.540 45.722 45.100 0.137 0.000 0.776 745 G HN 0.185 nan 8.290 nan 0.000 0.542 746 V N 0.665 120.748 119.914 0.282 0.000 2.427 746 V HA -0.113 4.005 4.120 -0.003 0.000 0.248 746 V C 2.643 178.958 176.094 0.368 0.000 1.051 746 V CA 2.081 64.607 62.300 0.376 0.000 1.048 746 V CB -0.303 31.820 31.823 0.500 0.000 0.666 746 V HN 0.397 nan 8.190 nan 0.000 0.456 747 K N 0.434 120.988 120.400 0.257 0.000 2.026 747 K HA -0.229 4.089 4.320 -0.003 0.000 0.208 747 K C 2.418 178.938 176.600 -0.134 0.000 1.048 747 K CA 1.759 57.908 56.287 -0.229 0.000 0.929 747 K CB -0.166 32.134 32.500 -0.334 0.000 0.713 747 K HN 0.311 nan 8.250 nan 0.000 0.439 748 R N -0.310 120.186 120.500 -0.007 0.000 2.083 748 R HA -0.235 4.103 4.340 -0.003 0.000 0.237 748 R C 2.392 178.703 176.300 0.018 0.000 1.137 748 R CA 1.979 58.077 56.100 -0.003 0.000 0.951 748 R CB -0.591 29.731 30.300 0.035 0.000 0.851 748 R HN 0.350 nan 8.270 nan 0.000 0.434 749 Y N 0.684 120.981 120.300 -0.005 0.000 2.128 749 Y HA -0.253 4.295 4.550 -0.003 0.000 0.284 749 Y C 2.066 177.963 175.900 -0.005 0.000 1.154 749 Y CA 1.886 59.989 58.100 0.005 0.000 1.149 749 Y CB -0.177 38.305 38.460 0.037 0.000 0.976 749 Y HN 0.047 nan 8.280 nan 0.000 0.505 750 M N 0.592 120.081 119.600 -0.186 0.000 2.108 750 M HA -0.205 4.273 4.480 -0.003 0.000 0.261 750 M C 1.964 178.105 176.300 -0.266 0.000 1.066 750 M CA 1.803 56.944 55.300 -0.263 0.000 1.107 750 M CB -1.206 31.369 32.600 -0.042 0.000 1.356 750 M HN 0.443 nan 8.290 nan 0.000 0.406 751 E N -0.168 119.907 120.200 -0.208 0.000 2.046 751 E HA -0.148 4.200 4.350 -0.003 0.000 0.190 751 E C 1.864 178.367 176.600 -0.162 0.000 0.982 751 E CA 0.902 57.204 56.400 -0.163 0.000 0.800 751 E CB -0.177 29.442 29.700 -0.136 0.000 0.756 751 E HN 0.473 nan 8.360 nan 0.000 0.449 752 N N 1.120 119.719 118.700 -0.168 0.000 2.084 752 N HA -0.149 4.589 4.740 -0.003 0.000 0.190 752 N C 1.830 177.224 175.510 -0.194 0.000 1.030 752 N CA 0.702 53.666 53.050 -0.144 0.000 0.849 752 N CB -0.280 38.154 38.487 -0.090 0.000 1.012 752 N HN 0.085 nan 8.380 nan 0.000 0.423 753 I N 0.578 120.941 120.570 -0.345 0.000 2.286 753 I HA -0.171 3.997 4.170 -0.003 0.000 0.248 753 I C 1.830 177.813 176.117 -0.223 0.000 1.115 753 I CA 0.827 61.921 61.300 -0.343 0.000 1.392 753 I CB -0.176 37.433 38.000 -0.652 0.000 1.065 753 I HN -0.122 nan 8.210 nan 0.000 0.418 754 V N 0.344 120.135 119.914 -0.206 0.000 2.358 754 V HA -0.315 3.803 4.120 -0.003 0.000 0.246 754 V C 2.456 178.489 176.094 -0.102 0.000 1.047 754 V CA 2.179 64.400 62.300 -0.132 0.000 1.035 754 V CB -0.835 30.920 31.823 -0.112 0.000 0.658 754 V HN 0.590 nan 8.190 nan 0.000 0.452 755 Q N 0.082 119.820 119.800 -0.103 0.000 2.124 755 Q HA -0.284 4.054 4.340 -0.003 0.000 0.202 755 Q C 2.286 178.234 176.000 -0.086 0.000 0.977 755 Q CA 2.197 57.954 55.803 -0.078 0.000 0.850 755 Q CB -0.156 28.540 28.738 -0.071 0.000 0.901 755 Q HN 0.781 nan 8.270 nan 0.000 0.429 756 E N -0.488 119.646 120.200 -0.110 0.000 2.106 756 E HA -0.173 4.175 4.350 -0.003 0.000 0.192 756 E C 1.777 178.279 176.600 -0.162 0.000 0.984 756 E CA 0.885 57.207 56.400 -0.131 0.000 0.806 756 E CB -0.127 29.492 29.700 -0.136 0.000 0.750 756 E HN 0.475 nan 8.360 nan 0.000 0.458 757 A N 1.569 124.305 122.820 -0.140 0.000 1.930 757 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 757 A C 2.117 179.655 177.584 -0.077 0.000 1.175 757 A CA 1.643 53.605 52.037 -0.124 0.000 0.627 757 A CB -0.430 18.522 19.000 -0.079 0.000 0.815 757 A HN 0.212 nan 8.150 nan 0.000 0.443 758 K N -0.756 119.609 120.400 -0.058 0.000 2.057 758 K HA -0.176 4.142 4.320 -0.003 0.000 0.206 758 K C 2.343 178.927 176.600 -0.026 0.000 1.050 758 K CA 1.400 57.672 56.287 -0.026 0.000 0.935 758 K CB -0.201 32.286 32.500 -0.020 0.000 0.715 758 K HN 0.517 nan 8.250 nan 0.000 0.439 759 Q N 1.193 120.963 119.800 -0.051 0.000 2.016 759 Q HA -0.170 4.168 4.340 -0.003 0.000 0.200 759 Q C 1.573 177.544 176.000 -0.048 0.000 0.978 759 Q CA 1.791 57.568 55.803 -0.044 0.000 0.833 759 Q CB 0.084 28.789 28.738 -0.055 0.000 0.895 759 Q HN 0.297 nan 8.270 nan 0.000 0.427 760 K N -1.490 118.835 120.400 -0.125 0.000 2.243 760 K HA 0.053 4.371 4.320 -0.003 0.000 0.201 760 K C 1.213 177.795 176.600 -0.030 0.000 1.051 760 K CA 0.680 56.864 56.287 -0.172 0.000 0.970 760 K CB 0.307 32.484 32.500 -0.538 0.000 0.755 760 K HN 0.492 nan 8.250 nan 0.000 0.465 761 G N 0.834 109.622 108.800 -0.020 0.000 2.194 761 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.236 761 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.236 761 G C -0.136 174.933 174.900 0.282 0.000 0.987 761 G CA 0.478 45.691 45.100 0.187 0.000 0.635 761 G HN 0.375 nan 8.290 nan 0.000 0.520 762 Y N -1.816 118.481 120.300 -0.004 0.000 2.725 762 Y HA 0.761 5.309 4.550 -0.003 0.000 0.333 762 Y C -0.288 175.546 175.900 -0.110 0.000 1.242 762 Y CA -1.312 56.704 58.100 -0.139 0.000 1.059 762 Y CB 0.851 39.011 38.460 -0.501 0.000 1.306 762 Y HN 0.978 nan 8.280 nan 0.000 0.454 763 V N -0.930 118.978 119.914 -0.009 0.000 3.046 763 V HA 1.004 5.122 4.120 -0.003 0.000 0.316 763 V C -0.436 175.713 176.094 0.090 0.000 1.104 763 V CA -0.247 62.033 62.300 -0.032 0.000 1.006 763 V CB 1.320 33.135 31.823 -0.013 0.000 1.058 763 V HN 1.381 nan 8.190 nan 0.000 0.440 764 T N -0.833 113.770 114.554 0.081 0.000 2.901 764 T HA 0.808 5.156 4.350 -0.003 0.000 0.293 764 T C -0.047 174.696 174.700 0.072 0.000 1.084 764 T CA 0.008 62.172 62.100 0.107 0.000 1.008 764 T CB 1.704 70.676 68.868 0.173 0.000 1.170 764 T HN 1.496 nan 8.240 nan 0.000 0.509 765 T N -0.416 114.164 114.554 0.044 0.000 2.937 765 T HA 0.487 4.835 4.350 -0.003 0.000 0.283 765 T C 1.277 175.950 174.700 -0.046 0.000 1.012 765 T CA -0.806 61.297 62.100 0.006 0.000 0.997 765 T CB 1.027 69.887 68.868 -0.014 0.000 1.136 765 T HN 0.534 nan 8.240 nan 0.000 0.551 766 L N 0.406 121.584 121.223 -0.075 0.000 2.021 766 L HA 0.030 4.368 4.340 -0.003 0.000 0.215 766 L C 1.810 178.494 176.870 -0.310 0.000 1.074 766 L CA 1.834 56.592 54.840 -0.137 0.000 0.760 766 L CB -0.858 41.125 42.059 -0.128 0.000 0.889 766 L HN 0.723 nan 8.230 nan 0.000 0.433 767 L N -0.493 120.573 121.223 -0.262 0.000 2.688 767 L HA 0.115 4.453 4.340 -0.003 0.000 0.234 767 L C 0.138 176.832 176.870 -0.293 0.000 1.192 767 L CA -0.123 54.517 54.840 -0.332 0.000 0.984 767 L CB -0.642 41.337 42.059 -0.134 0.000 1.232 767 L HN 0.446 nan 8.230 nan 0.000 0.465 768 H N -1.489 117.588 119.070 0.012 0.000 3.049 768 H HA -0.156 4.398 4.556 -0.003 0.000 0.250 768 H C 0.863 176.184 175.328 -0.012 0.000 1.219 768 H CA 0.401 56.456 56.048 0.011 0.000 1.117 768 H CB -1.254 28.514 29.762 0.011 0.000 1.251 768 H HN 0.451 nan 8.280 nan 0.000 0.338 769 R N 1.595 122.121 120.500 0.043 0.000 2.582 769 R HA 0.394 4.732 4.340 -0.003 0.000 0.271 769 R C 0.712 176.998 176.300 -0.024 0.000 1.078 769 R CA -0.174 55.920 56.100 -0.010 0.000 1.127 769 R CB 0.818 31.101 30.300 -0.028 0.000 1.038 769 R HN 0.472 nan 8.270 nan 0.000 0.500 770 R N 1.739 122.179 120.500 -0.100 0.000 2.808 770 R HA 0.508 4.846 4.340 -0.003 0.000 0.272 770 R C -1.301 174.884 176.300 -0.191 0.000 0.995 770 R CA -1.121 54.896 56.100 -0.139 0.000 0.917 770 R CB 1.650 31.764 30.300 -0.310 0.000 1.217 770 R HN 0.537 nan 8.270 nan 0.000 0.471 771 R N 2.095 122.496 120.500 -0.166 0.000 2.510 771 R HA 0.257 4.595 4.340 -0.003 0.000 0.294 771 R C -1.535 174.707 176.300 -0.096 0.000 1.056 771 R CA -0.648 55.387 56.100 -0.109 0.000 0.918 771 R CB 1.171 31.455 30.300 -0.027 0.000 1.187 771 R HN 0.670 nan 8.270 nan 0.000 0.437 772 Y N 4.162 124.506 120.300 0.074 0.000 2.359 772 Y HA 0.209 4.757 4.550 -0.003 0.000 0.330 772 Y C 0.472 176.417 175.900 0.075 0.000 1.143 772 Y CA -0.041 58.124 58.100 0.109 0.000 1.318 772 Y CB 0.975 39.470 38.460 0.058 0.000 1.234 772 Y HN 0.405 nan 8.280 nan 0.000 0.522 773 L N 6.525 127.876 121.223 0.214 0.000 2.556 773 L HA 0.246 4.584 4.340 -0.003 0.000 0.243 773 L C -1.684 175.254 176.870 0.114 0.000 1.331 773 L CA -1.353 53.562 54.840 0.124 0.000 0.927 773 L CB 1.063 43.165 42.059 0.070 0.000 1.219 773 L HN 0.518 nan 8.230 nan 0.000 0.490 774 P HA -0.149 nan 4.420 nan 0.000 0.222 774 P C 0.431 177.770 177.300 0.065 0.000 1.147 774 P CA 1.054 64.206 63.100 0.087 0.000 0.790 774 P CB 0.432 32.174 31.700 0.069 0.000 0.780 775 D N -0.544 119.894 120.400 0.062 0.000 2.363 775 D HA -0.025 4.613 4.640 -0.003 0.000 0.226 775 D C 1.720 178.053 176.300 0.054 0.000 1.020 775 D CA 0.120 54.156 54.000 0.060 0.000 0.892 775 D CB -0.531 40.307 40.800 0.064 0.000 0.900 775 D HN 0.138 nan 8.370 nan 0.000 0.531 776 I N 1.014 121.611 120.570 0.046 0.000 2.530 776 I HA -0.205 3.963 4.170 -0.003 0.000 0.257 776 I C 1.844 177.982 176.117 0.035 0.000 1.179 776 I CA 1.313 62.630 61.300 0.029 0.000 1.440 776 I CB -0.110 37.902 38.000 0.019 0.000 1.087 776 I HN -0.019 nan 8.210 nan 0.000 0.440 777 T N -3.541 111.040 114.554 0.044 0.000 3.134 777 T HA 0.216 4.564 4.350 -0.003 0.000 0.260 777 T C 0.849 175.584 174.700 0.058 0.000 1.027 777 T CA 0.036 62.164 62.100 0.047 0.000 0.913 777 T CB -0.460 68.432 68.868 0.041 0.000 1.046 777 T HN 0.186 nan 8.240 nan 0.000 0.553 778 S N 0.953 116.694 115.700 0.067 0.000 2.560 778 S HA 0.242 4.710 4.470 -0.003 0.000 0.284 778 S C 1.033 175.691 174.600 0.097 0.000 1.327 778 S CA -0.562 57.685 58.200 0.079 0.000 1.055 778 S CB 0.572 63.825 63.200 0.087 0.000 0.868 778 S HN 0.354 nan 8.310 nan 0.000 0.506 779 R N 2.480 123.034 120.500 0.091 0.000 2.320 779 R HA 0.245 4.583 4.340 -0.003 0.000 0.211 779 R C 0.299 176.678 176.300 0.131 0.000 0.931 779 R CA 0.049 56.209 56.100 0.100 0.000 1.071 779 R CB -0.333 30.010 30.300 0.072 0.000 1.025 779 R HN 0.523 nan 8.270 nan 0.000 0.495 780 N N 0.563 119.352 118.700 0.148 0.000 2.439 780 N HA -0.035 4.703 4.740 -0.003 0.000 0.249 780 N C 0.434 176.112 175.510 0.280 0.000 1.003 780 N CA -0.110 53.051 53.050 0.187 0.000 0.942 780 N CB 0.385 38.965 38.487 0.155 0.000 1.115 780 N HN -0.097 nan 8.380 nan 0.000 0.505 781 F N 5.352 125.382 119.950 0.134 0.000 2.041 781 F HA -0.354 4.171 4.527 -0.003 0.000 0.296 781 F C 1.766 177.864 175.800 0.496 0.000 1.147 781 F CA 2.220 60.354 58.000 0.223 0.000 1.214 781 F CB -0.658 38.316 39.000 -0.043 0.000 0.947 781 F HN 0.652 nan 8.300 nan 0.000 0.511 782 N N -0.484 118.472 118.700 0.427 0.000 2.037 782 N HA -0.243 4.495 4.740 -0.003 0.000 0.196 782 N C 1.784 177.398 175.510 0.173 0.000 1.034 782 N CA 1.757 54.960 53.050 0.256 0.000 0.861 782 N CB -0.471 38.173 38.487 0.262 0.000 1.039 782 N HN 0.200 nan 8.380 nan 0.000 0.427 783 V N 1.161 121.224 119.914 0.249 0.000 2.343 783 V HA -0.226 3.892 4.120 -0.003 0.000 0.247 783 V C 2.370 178.563 176.094 0.165 0.000 1.051 783 V CA 1.557 64.012 62.300 0.258 0.000 1.036 783 V CB -0.564 31.364 31.823 0.175 0.000 0.654 783 V HN 0.313 nan 8.190 nan 0.000 0.451 784 R N -0.281 120.280 120.500 0.102 0.000 2.092 784 R HA -0.151 4.187 4.340 -0.003 0.000 0.231 784 R C 2.604 178.820 176.300 -0.141 0.000 1.119 784 R CA 1.638 57.756 56.100 0.031 0.000 0.970 784 R CB -0.389 29.963 30.300 0.086 0.000 0.864 784 R HN 0.447 nan 8.270 nan 0.000 0.440 785 S N -0.169 115.275 115.700 -0.428 0.000 2.359 785 S HA -0.152 4.316 4.470 -0.003 0.000 0.224 785 S C 1.594 175.905 174.600 -0.483 0.000 1.035 785 S CA 1.419 59.057 58.200 -0.937 0.000 1.018 785 S CB -0.317 61.767 63.200 -1.861 0.000 0.876 785 S HN 0.389 nan 8.310 nan 0.000 0.448 786 F N 1.610 121.396 119.950 -0.274 0.000 2.091 786 F HA -0.186 4.339 4.527 -0.003 0.000 0.299 786 F C 2.599 178.327 175.800 -0.121 0.000 1.103 786 F CA 1.127 59.032 58.000 -0.157 0.000 1.228 786 F CB -0.597 38.349 39.000 -0.089 0.000 0.984 786 F HN 0.267 nan 8.300 nan 0.000 0.477 787 A N -0.111 122.769 122.820 0.101 0.000 1.940 787 A HA -0.223 4.095 4.320 -0.003 0.000 0.219 787 A C 2.030 179.609 177.584 -0.010 0.000 1.176 787 A CA 1.951 54.015 52.037 0.044 0.000 0.631 787 A CB -0.744 18.278 19.000 0.038 0.000 0.814 787 A HN 0.488 nan 8.150 nan 0.000 0.446 788 E N -0.504 119.652 120.200 -0.074 0.000 2.072 788 E HA -0.167 4.181 4.350 -0.003 0.000 0.191 788 E C 2.306 178.862 176.600 -0.073 0.000 0.985 788 E CA 0.986 57.329 56.400 -0.095 0.000 0.801 788 E CB -0.201 29.405 29.700 -0.157 0.000 0.750 788 E HN 0.551 nan 8.360 nan 0.000 0.452 789 R N 0.308 120.761 120.500 -0.079 0.000 2.092 789 R HA -0.034 4.304 4.340 -0.003 0.000 0.231 789 R C 2.382 178.698 176.300 0.026 0.000 1.119 789 R CA 1.183 57.268 56.100 -0.025 0.000 0.970 789 R CB -0.218 30.059 30.300 -0.039 0.000 0.864 789 R HN 0.213 nan 8.270 nan 0.000 0.440 790 M N 0.087 119.706 119.600 0.032 0.000 2.159 790 M HA -0.111 4.367 4.480 -0.003 0.000 0.263 790 M C 2.515 178.836 176.300 0.034 0.000 1.063 790 M CA 1.666 56.992 55.300 0.043 0.000 1.110 790 M CB -0.294 32.334 32.600 0.046 0.000 1.374 790 M HN 0.220 nan 8.290 nan 0.000 0.411 791 A N 0.260 123.085 122.820 0.008 0.000 1.930 791 A HA -0.141 4.177 4.320 -0.003 0.000 0.217 791 A C 2.108 179.690 177.584 -0.004 0.000 1.175 791 A CA 1.513 53.542 52.037 -0.013 0.000 0.627 791 A CB -0.529 18.439 19.000 -0.054 0.000 0.815 791 A HN 0.460 nan 8.150 nan 0.000 0.443 792 M N -0.785 118.818 119.600 0.005 0.000 2.156 792 M HA -0.084 4.394 4.480 -0.003 0.000 0.264 792 M C 2.202 178.621 176.300 0.198 0.000 1.067 792 M CA 1.511 56.849 55.300 0.065 0.000 1.131 792 M CB -0.386 32.251 32.600 0.061 0.000 1.368 792 M HN 0.618 nan 8.290 nan 0.000 0.416 793 N N -0.222 118.564 118.700 0.144 0.000 2.290 793 N HA -0.097 4.641 4.740 -0.003 0.000 0.179 793 N C 1.373 176.956 175.510 0.123 0.000 1.016 793 N CA 1.469 54.611 53.050 0.155 0.000 0.871 793 N CB 0.091 38.665 38.487 0.144 0.000 0.987 793 N HN 0.190 nan 8.380 nan 0.000 0.431 794 T N 1.759 116.368 114.554 0.092 0.000 2.665 794 T HA -0.069 4.279 4.350 -0.003 0.000 0.268 794 T C -0.990 173.754 174.700 0.073 0.000 1.035 794 T CA 1.375 63.516 62.100 0.068 0.000 1.151 794 T CB -1.059 67.837 68.868 0.047 0.000 0.862 794 T HN 0.390 nan 8.240 nan 0.000 0.438 795 P HA 0.061 nan 4.420 nan 0.000 0.220 795 P C 1.258 178.595 177.300 0.060 0.000 1.148 795 P CA 0.803 63.963 63.100 0.101 0.000 0.803 795 P CB -0.114 31.702 31.700 0.192 0.000 0.782 796 I N -1.054 119.559 120.570 0.072 0.000 2.188 796 I HA -0.198 3.970 4.170 -0.003 0.000 0.237 796 I C 2.681 178.811 176.117 0.021 0.000 1.073 796 I CA 1.258 62.575 61.300 0.027 0.000 1.359 796 I CB -0.711 37.321 38.000 0.053 0.000 1.083 796 I HN -0.084 nan 8.210 nan 0.000 0.412 797 Q N 1.069 120.900 119.800 0.051 0.000 2.084 797 Q HA -0.179 4.159 4.340 -0.003 0.000 0.202 797 Q C 2.178 178.191 176.000 0.021 0.000 0.978 797 Q CA 2.034 57.861 55.803 0.041 0.000 0.844 797 Q CB -0.293 28.475 28.738 0.050 0.000 0.898 797 Q HN 0.577 nan 8.270 nan 0.000 0.426 798 G N -0.389 108.425 108.800 0.024 0.000 2.418 798 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.217 798 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.217 798 G C 1.484 176.379 174.900 -0.008 0.000 1.158 798 G CA 0.895 46.004 45.100 0.015 0.000 0.771 798 G HN 0.344 nan 8.290 nan 0.000 0.545 799 S N 0.927 116.613 115.700 -0.023 0.000 2.383 799 S HA 0.034 4.502 4.470 -0.003 0.000 0.227 799 S C 2.760 177.305 174.600 -0.091 0.000 1.026 799 S CA 1.066 59.230 58.200 -0.060 0.000 0.981 799 S CB -0.290 62.870 63.200 -0.066 0.000 0.818 799 S HN 0.576 nan 8.310 nan 0.000 0.472 800 A N 1.482 124.251 122.820 -0.085 0.000 1.933 800 A HA 0.111 4.429 4.320 -0.003 0.000 0.218 800 A C 2.316 179.851 177.584 -0.081 0.000 1.175 800 A CA 1.639 53.602 52.037 -0.124 0.000 0.628 800 A CB -0.934 18.015 19.000 -0.085 0.000 0.814 800 A HN 0.508 nan 8.150 nan 0.000 0.444 801 A N 0.052 122.860 122.820 -0.020 0.000 1.898 801 A HA -0.143 4.175 4.320 -0.003 0.000 0.216 801 A C 1.753 179.339 177.584 0.003 0.000 1.181 801 A CA 1.766 53.815 52.037 0.021 0.000 0.620 801 A CB -0.521 18.511 19.000 0.054 0.000 0.819 801 A HN 0.447 nan 8.150 nan 0.000 0.442 802 D N 0.261 120.648 120.400 -0.022 0.000 2.104 802 D HA -0.140 4.498 4.640 -0.003 0.000 0.194 802 D C 1.870 178.143 176.300 -0.045 0.000 0.994 802 D CA 1.272 55.253 54.000 -0.031 0.000 0.830 802 D CB -0.375 40.391 40.800 -0.057 0.000 0.959 802 D HN 0.530 nan 8.370 nan 0.000 0.452 803 I N 0.670 121.189 120.570 -0.085 0.000 2.142 803 I HA -0.217 3.951 4.170 -0.003 0.000 0.240 803 I C 2.579 178.683 176.117 -0.022 0.000 1.078 803 I CA 0.730 61.970 61.300 -0.101 0.000 1.343 803 I CB -0.156 37.705 38.000 -0.231 0.000 1.046 803 I HN -0.046 nan 8.210 nan 0.000 0.405 804 I N 0.778 121.348 120.570 -0.001 0.000 2.361 804 I HA -0.291 3.877 4.170 -0.003 0.000 0.251 804 I C 2.450 178.612 176.117 0.075 0.000 1.133 804 I CA 1.537 62.921 61.300 0.139 0.000 1.413 804 I CB -0.099 38.015 38.000 0.190 0.000 1.073 804 I HN 0.151 nan 8.210 nan 0.000 0.424 805 K N 0.530 120.948 120.400 0.031 0.000 2.057 805 K HA -0.242 4.076 4.320 -0.003 0.000 0.206 805 K C 2.170 178.775 176.600 0.008 0.000 1.050 805 K CA 1.526 57.820 56.287 0.011 0.000 0.935 805 K CB -0.124 32.382 32.500 0.010 0.000 0.715 805 K HN 0.235 nan 8.250 nan 0.000 0.439 806 K N 0.749 121.155 120.400 0.009 0.000 2.097 806 K HA -0.080 4.238 4.320 -0.003 0.000 0.205 806 K C 2.016 178.625 176.600 0.015 0.000 1.050 806 K CA 1.056 57.346 56.287 0.005 0.000 0.938 806 K CB -0.032 32.465 32.500 -0.006 0.000 0.718 806 K HN 0.109 nan 8.250 nan 0.000 0.442 807 A N 1.104 123.950 122.820 0.043 0.000 1.933 807 A HA -0.168 4.150 4.320 -0.003 0.000 0.218 807 A C 2.084 179.681 177.584 0.021 0.000 1.175 807 A CA 1.657 53.727 52.037 0.054 0.000 0.628 807 A CB -0.451 18.627 19.000 0.130 0.000 0.814 807 A HN 0.349 nan 8.150 nan 0.000 0.444 808 M N -0.824 118.785 119.600 0.015 0.000 2.132 808 M HA -0.072 4.406 4.480 -0.003 0.000 0.263 808 M C 2.054 178.346 176.300 -0.015 0.000 1.065 808 M CA 1.475 56.770 55.300 -0.009 0.000 1.122 808 M CB -0.467 32.117 32.600 -0.026 0.000 1.365 808 M HN 0.392 nan 8.290 nan 0.000 0.411 809 I N 0.123 120.686 120.570 -0.012 0.000 2.202 809 I HA -0.291 3.877 4.170 -0.003 0.000 0.242 809 I C 1.848 177.955 176.117 -0.015 0.000 1.091 809 I CA 1.132 62.423 61.300 -0.015 0.000 1.368 809 I CB -0.561 37.432 38.000 -0.012 0.000 1.058 809 I HN 0.238 nan 8.210 nan 0.000 0.410 810 D N 0.720 121.112 120.400 -0.012 0.000 2.117 810 D HA -0.179 4.459 4.640 -0.003 0.000 0.197 810 D C 1.998 178.282 176.300 -0.025 0.000 0.987 810 D CA 1.115 55.106 54.000 -0.016 0.000 0.829 810 D CB -0.358 40.435 40.800 -0.010 0.000 0.961 810 D HN 0.155 nan 8.370 nan 0.000 0.460 811 L N 1.198 122.406 121.223 -0.026 0.000 2.017 811 L HA -0.114 4.224 4.340 -0.003 0.000 0.208 811 L C 1.567 178.412 176.870 -0.042 0.000 1.073 811 L CA 1.747 56.562 54.840 -0.041 0.000 0.745 811 L CB -0.733 41.302 42.059 -0.039 0.000 0.894 811 L HN 0.006 nan 8.230 nan 0.000 0.432 812 N N -0.792 117.891 118.700 -0.029 0.000 2.166 812 N HA -0.170 4.568 4.740 -0.003 0.000 0.186 812 N C 1.739 177.232 175.510 -0.028 0.000 1.019 812 N CA 1.047 54.083 53.050 -0.023 0.000 0.856 812 N CB -0.047 38.431 38.487 -0.015 0.000 0.993 812 N HN 0.535 nan 8.380 nan 0.000 0.426 813 A N 1.829 124.632 122.820 -0.028 0.000 1.902 813 A HA -0.098 4.220 4.320 -0.003 0.000 0.217 813 A C 2.183 179.745 177.584 -0.037 0.000 1.181 813 A CA 0.945 52.965 52.037 -0.029 0.000 0.623 813 A CB -0.234 18.751 19.000 -0.026 0.000 0.818 813 A HN 0.196 nan 8.150 nan 0.000 0.443 814 R N -0.470 120.003 120.500 -0.044 0.000 2.066 814 R HA -0.032 4.306 4.340 -0.003 0.000 0.232 814 R C 2.120 178.380 176.300 -0.067 0.000 1.131 814 R CA 1.309 57.375 56.100 -0.057 0.000 0.955 814 R CB -0.796 29.464 30.300 -0.066 0.000 0.851 814 R HN 0.558 nan 8.270 nan 0.000 0.432 815 L N 0.917 122.098 121.223 -0.070 0.000 2.042 815 L HA -0.213 4.125 4.340 -0.003 0.000 0.210 815 L C 2.751 179.585 176.870 -0.059 0.000 1.076 815 L CA 1.532 56.325 54.840 -0.078 0.000 0.749 815 L CB -0.474 41.544 42.059 -0.068 0.000 0.893 815 L HN 0.201 nan 8.230 nan 0.000 0.432 816 K N 0.425 120.800 120.400 -0.041 0.000 2.057 816 K HA -0.177 4.141 4.320 -0.003 0.000 0.206 816 K C 1.935 178.512 176.600 -0.037 0.000 1.050 816 K CA 1.320 57.588 56.287 -0.032 0.000 0.935 816 K CB 0.036 32.522 32.500 -0.024 0.000 0.715 816 K HN 0.323 nan 8.250 nan 0.000 0.439 817 E N 0.319 120.495 120.200 -0.041 0.000 2.085 817 E HA -0.171 4.177 4.350 -0.003 0.000 0.194 817 E C 1.685 178.257 176.600 -0.047 0.000 0.994 817 E CA 0.978 57.353 56.400 -0.040 0.000 0.801 817 E CB 0.094 29.770 29.700 -0.041 0.000 0.743 817 E HN 0.301 nan 8.360 nan 0.000 0.453 818 E N 0.277 120.441 120.200 -0.060 0.000 2.482 818 E HA -0.038 4.310 4.350 -0.003 0.000 0.196 818 E C 0.164 176.722 176.600 -0.070 0.000 1.047 818 E CA 0.155 56.512 56.400 -0.071 0.000 0.869 818 E CB 0.141 29.785 29.700 -0.093 0.000 0.836 818 E HN 0.033 nan 8.360 nan 0.000 0.520 819 R N -0.549 119.916 120.500 -0.058 0.000 3.651 819 R HA -0.159 4.179 4.340 -0.003 0.000 0.292 819 R C -0.425 175.834 176.300 -0.068 0.000 1.161 819 R CA 0.248 56.317 56.100 -0.051 0.000 0.787 819 R CB -2.624 27.650 30.300 -0.044 0.000 1.249 819 R HN 0.151 nan 8.270 nan 0.000 0.476 820 L N 0.055 121.224 121.223 -0.090 0.000 2.395 820 L HA 0.127 4.465 4.340 -0.003 0.000 0.269 820 L C 1.796 178.598 176.870 -0.114 0.000 1.133 820 L CA -0.071 54.689 54.840 -0.133 0.000 0.812 820 L CB 0.845 42.798 42.059 -0.176 0.000 1.125 820 L HN 0.247 nan 8.230 nan 0.000 0.452 821 Q N 1.796 121.496 119.800 -0.166 0.000 2.389 821 Q HA 0.114 4.452 4.340 -0.003 0.000 0.204 821 Q C 0.611 176.490 176.000 -0.202 0.000 0.944 821 Q CA 0.024 55.759 55.803 -0.114 0.000 0.908 821 Q CB 0.282 28.936 28.738 -0.141 0.000 1.002 821 Q HN 0.783 nan 8.270 nan 0.000 0.493 822 A N 1.952 124.566 122.820 -0.345 0.000 2.561 822 A HA 0.147 4.465 4.320 -0.003 0.000 0.234 822 A C -0.381 177.103 177.584 -0.166 0.000 1.055 822 A CA 0.231 52.036 52.037 -0.387 0.000 0.756 822 A CB -0.171 18.604 19.000 -0.375 0.000 0.986 822 A HN 0.441 nan 8.150 nan 0.000 0.505 823 H N -1.005 118.055 119.070 -0.016 0.000 3.046 823 H HA 0.602 5.156 4.556 -0.003 0.000 0.361 823 H C -1.105 174.235 175.328 0.020 0.000 1.235 823 H CA -1.280 54.777 56.048 0.015 0.000 1.146 823 H CB 0.011 29.813 29.762 0.066 0.000 1.859 823 H HN 0.487 nan 8.280 nan 0.000 0.548 824 L N 2.002 123.347 121.223 0.204 0.000 2.456 824 L HA 0.068 4.406 4.340 -0.003 0.000 0.272 824 L C 0.577 177.546 176.870 0.166 0.000 1.189 824 L CA 0.008 54.922 54.840 0.123 0.000 0.846 824 L CB 0.366 42.452 42.059 0.046 0.000 1.111 824 L HN 0.668 nan 8.230 nan 0.000 0.475 825 L N 3.372 124.657 121.223 0.104 0.000 2.586 825 L HA 0.342 4.680 4.340 -0.003 0.000 0.204 825 L C -0.058 176.867 176.870 0.091 0.000 1.053 825 L CA 0.202 55.097 54.840 0.092 0.000 0.856 825 L CB 0.443 42.522 42.059 0.033 0.000 1.192 825 L HN 0.422 nan 8.230 nan 0.000 0.484 826 L N -0.668 120.565 121.223 0.016 0.000 2.415 826 L HA 0.487 4.825 4.340 -0.003 0.000 0.256 826 L C -1.077 175.769 176.870 -0.040 0.000 1.010 826 L CA -0.538 54.344 54.840 0.069 0.000 0.826 826 L CB 2.235 44.300 42.059 0.010 0.000 1.405 826 L HN -0.088 nan 8.230 nan 0.000 0.410 827 Q N 1.411 121.156 119.800 -0.093 0.000 2.321 827 Q HA 0.498 4.836 4.340 -0.003 0.000 0.270 827 Q C -1.851 174.107 176.000 -0.069 0.000 1.032 827 Q CA -0.444 55.283 55.803 -0.125 0.000 0.784 827 Q CB 2.675 31.255 28.738 -0.264 0.000 1.264 827 Q HN 0.523 nan 8.270 nan 0.000 0.448 828 V N 6.455 126.335 119.914 -0.055 0.000 2.361 828 V HA 0.232 4.350 4.120 -0.003 0.000 0.252 828 V C 0.194 176.183 176.094 -0.174 0.000 0.986 828 V CA -0.344 61.844 62.300 -0.188 0.000 1.033 828 V CB -0.159 31.677 31.823 0.022 0.000 1.282 828 V HN 0.932 nan 8.190 nan 0.000 0.514 829 H N 1.884 121.027 119.070 0.123 0.000 4.988 829 H HA -0.216 4.337 4.556 -0.003 0.000 0.062 829 H C 1.215 176.619 175.328 0.126 0.000 0.573 829 H CA 2.280 58.395 56.048 0.112 0.000 0.989 829 H CB -0.906 28.924 29.762 0.114 0.000 0.461 829 H HN 0.838 nan 8.280 nan 0.000 0.781 830 D N 1.704 122.267 120.400 0.272 0.000 2.582 830 D HA 0.196 4.834 4.640 -0.003 0.000 0.246 830 D C 0.227 176.697 176.300 0.284 0.000 1.334 830 D CA 0.428 54.610 54.000 0.303 0.000 0.805 830 D CB 0.385 41.347 40.800 0.270 0.000 1.087 830 D HN 0.748 nan 8.370 nan 0.000 0.499 831 E N -0.022 120.284 120.200 0.177 0.000 2.383 831 E HA 0.606 4.954 4.350 -0.003 0.000 0.275 831 E C -1.248 175.393 176.600 0.068 0.000 0.918 831 E CA -1.090 55.374 56.400 0.107 0.000 0.764 831 E CB 2.009 31.782 29.700 0.122 0.000 1.252 831 E HN -0.050 nan 8.360 nan 0.000 0.449 832 L N 2.206 123.454 121.223 0.041 0.000 2.362 832 L HA 0.525 4.863 4.340 -0.003 0.000 0.275 832 L C -0.812 176.084 176.870 0.044 0.000 0.998 832 L CA -1.271 53.586 54.840 0.028 0.000 0.820 832 L CB 1.595 43.667 42.059 0.021 0.000 1.270 832 L HN 0.535 nan 8.230 nan 0.000 0.415 833 I N 5.134 125.702 120.570 -0.004 0.000 2.378 833 I HA 0.526 4.694 4.170 -0.003 0.000 0.291 833 I C -0.086 176.021 176.117 -0.015 0.000 0.992 833 I CA -0.335 60.931 61.300 -0.056 0.000 1.154 833 I CB 1.462 39.287 38.000 -0.292 0.000 1.315 833 I HN 0.490 nan 8.210 nan 0.000 0.448 834 L N 4.421 125.681 121.223 0.062 0.000 2.277 834 L HA 0.803 5.141 4.340 -0.003 0.000 0.254 834 L C -0.538 176.367 176.870 0.059 0.000 1.044 834 L CA -0.941 53.934 54.840 0.059 0.000 0.842 834 L CB 2.223 44.300 42.059 0.030 0.000 1.422 834 L HN 0.592 nan 8.230 nan 0.000 0.422 835 E N 0.459 120.662 120.200 0.005 0.000 2.343 835 E HA 0.906 5.254 4.350 -0.003 0.000 0.270 835 E C -1.351 175.149 176.600 -0.166 0.000 0.895 835 E CA -1.000 55.426 56.400 0.043 0.000 0.767 835 E CB 2.764 32.582 29.700 0.196 0.000 1.248 835 E HN 0.936 nan 8.360 nan 0.000 0.440 836 A N 1.947 124.597 122.820 -0.282 0.000 2.566 836 A HA 0.587 4.905 4.320 -0.003 0.000 0.290 836 A C -2.980 173.917 177.584 -1.144 0.000 1.071 836 A CA -1.398 50.076 52.037 -0.938 0.000 0.658 836 A CB 1.116 19.725 19.000 -0.652 0.000 1.285 836 A HN 0.500 nan 8.150 nan 0.000 0.427 837 P HA 0.107 nan 4.420 nan 0.000 0.267 837 P C 0.463 177.463 177.300 -0.500 0.000 1.200 837 P CA 0.087 62.538 63.100 -1.081 0.000 0.772 837 P CB 0.533 31.776 31.700 -0.762 0.000 0.855 838 K N 1.940 122.187 120.400 -0.255 0.000 2.211 838 K HA -0.208 4.110 4.320 -0.003 0.000 0.204 838 K C 0.857 177.347 176.600 -0.184 0.000 1.047 838 K CA 1.710 57.905 56.287 -0.153 0.000 0.935 838 K CB -0.412 32.068 32.500 -0.034 0.000 0.728 838 K HN 0.242 nan 8.250 nan 0.000 0.452 839 E N 1.338 121.423 120.200 -0.190 0.000 2.338 839 E HA -0.097 4.251 4.350 -0.003 0.000 0.197 839 E C 1.104 177.575 176.600 -0.214 0.000 1.007 839 E CA 0.996 57.296 56.400 -0.167 0.000 0.849 839 E CB 0.100 29.717 29.700 -0.139 0.000 0.774 839 E HN 0.508 nan 8.360 nan 0.000 0.506 840 E N -0.578 119.445 120.200 -0.295 0.000 2.472 840 E HA 0.042 4.390 4.350 -0.003 0.000 0.196 840 E C 1.346 177.726 176.600 -0.367 0.000 1.033 840 E CA -0.141 56.063 56.400 -0.326 0.000 0.886 840 E CB 0.165 29.629 29.700 -0.393 0.000 0.944 840 E HN 0.187 nan 8.360 nan 0.000 0.492 841 M N 0.865 120.233 119.600 -0.386 0.000 2.073 841 M HA -0.225 4.253 4.480 -0.003 0.000 0.258 841 M C 1.856 177.934 176.300 -0.370 0.000 1.070 841 M CA 1.751 56.757 55.300 -0.490 0.000 1.103 841 M CB -0.992 31.166 32.600 -0.737 0.000 1.321 841 M HN 0.142 nan 8.290 nan 0.000 0.405 842 E N -0.489 119.561 120.200 -0.250 0.000 2.085 842 E HA -0.199 4.149 4.350 -0.003 0.000 0.194 842 E C 2.217 178.706 176.600 -0.185 0.000 0.994 842 E CA 1.023 57.331 56.400 -0.153 0.000 0.801 842 E CB -0.231 29.412 29.700 -0.094 0.000 0.743 842 E HN 0.498 nan 8.360 nan 0.000 0.453 843 R N 0.154 120.522 120.500 -0.219 0.000 2.092 843 R HA -0.105 4.233 4.340 -0.003 0.000 0.231 843 R C 2.235 178.352 176.300 -0.306 0.000 1.119 843 R CA 0.653 56.618 56.100 -0.225 0.000 0.970 843 R CB -0.160 30.013 30.300 -0.211 0.000 0.864 843 R HN 0.113 nan 8.270 nan 0.000 0.440 844 L N 0.178 121.141 121.223 -0.435 0.000 2.141 844 L HA -0.146 4.192 4.340 -0.003 0.000 0.209 844 L C 2.296 178.799 176.870 -0.610 0.000 1.094 844 L CA 1.271 55.703 54.840 -0.680 0.000 0.763 844 L CB -0.836 40.550 42.059 -1.123 0.000 0.908 844 L HN 0.223 nan 8.230 nan 0.000 0.437 845 C N -0.943 118.128 119.300 -0.382 0.000 2.411 845 C HA -0.154 4.304 4.460 -0.003 0.000 0.279 845 C C 2.855 177.553 174.990 -0.488 0.000 1.288 845 C CA 0.689 59.454 59.018 -0.422 0.000 1.764 845 C CB -0.812 26.827 27.740 -0.168 0.000 1.974 845 C HN 0.465 nan 8.230 nan 0.000 0.498 846 R N -0.513 119.813 120.500 -0.289 0.000 2.105 846 R HA 0.139 4.477 4.340 -0.003 0.000 0.214 846 R C 2.208 178.397 176.300 -0.186 0.000 1.091 846 R CA 0.415 56.396 56.100 -0.199 0.000 1.007 846 R CB -0.323 29.898 30.300 -0.131 0.000 0.912 846 R HN 0.470 nan 8.270 nan 0.000 0.450 847 L N 0.794 121.887 121.223 -0.215 0.000 2.005 847 L HA -0.139 4.199 4.340 -0.003 0.000 0.207 847 L C 2.020 178.786 176.870 -0.174 0.000 1.072 847 L CA 1.258 55.986 54.840 -0.187 0.000 0.744 847 L CB -0.186 41.747 42.059 -0.209 0.000 0.895 847 L HN -0.028 nan 8.230 nan 0.000 0.433 848 V N 0.683 120.464 119.914 -0.221 0.000 2.255 848 V HA -0.203 3.915 4.120 -0.003 0.000 0.247 848 V C -0.117 175.927 176.094 -0.083 0.000 1.051 848 V CA 2.315 64.534 62.300 -0.136 0.000 1.018 848 V CB -2.053 29.727 31.823 -0.070 0.000 0.641 848 V HN 0.391 nan 8.190 nan 0.000 0.445 849 P HA -0.180 nan 4.420 nan 0.000 0.215 849 P C 1.660 178.927 177.300 -0.054 0.000 1.157 849 P CA 1.640 64.707 63.100 -0.056 0.000 0.868 849 P CB 0.046 31.728 31.700 -0.030 0.000 0.788 850 E N -0.181 119.982 120.200 -0.061 0.000 2.038 850 E HA -0.159 4.189 4.350 -0.003 0.000 0.195 850 E C 1.870 178.450 176.600 -0.033 0.000 1.000 850 E CA 1.380 57.755 56.400 -0.041 0.000 0.803 850 E CB -1.274 28.394 29.700 -0.053 0.000 0.750 850 E HN -0.100 nan 8.360 nan 0.000 0.448 851 V N 0.513 120.398 119.914 -0.049 0.000 2.332 851 V HA -0.303 3.815 4.120 -0.003 0.000 0.248 851 V C 2.476 178.565 176.094 -0.008 0.000 1.055 851 V CA 2.249 64.528 62.300 -0.034 0.000 1.038 851 V CB -0.502 31.291 31.823 -0.050 0.000 0.651 851 V HN 0.367 nan 8.190 nan 0.000 0.450 852 M N -0.755 118.827 119.600 -0.030 0.000 2.175 852 M HA -0.160 4.318 4.480 -0.003 0.000 0.264 852 M C 2.147 178.519 176.300 0.119 0.000 1.063 852 M CA 1.729 57.023 55.300 -0.010 0.000 1.119 852 M CB -0.443 31.993 32.600 -0.273 0.000 1.377 852 M HN 0.358 nan 8.290 nan 0.000 0.415 853 E N -0.141 120.094 120.200 0.058 0.000 2.208 853 E HA -0.143 4.205 4.350 -0.003 0.000 0.193 853 E C 1.645 178.288 176.600 0.072 0.000 0.988 853 E CA 0.658 57.121 56.400 0.105 0.000 0.828 853 E CB 0.084 29.815 29.700 0.051 0.000 0.763 853 E HN 0.463 nan 8.360 nan 0.000 0.478 854 Q N -0.546 119.278 119.800 0.041 0.000 2.319 854 Q HA 0.211 4.549 4.340 -0.003 0.000 0.202 854 Q C 1.704 177.713 176.000 0.014 0.000 0.896 854 Q CA 0.262 56.076 55.803 0.018 0.000 0.942 854 Q CB 0.754 29.494 28.738 0.003 0.000 1.083 854 Q HN 0.191 nan 8.270 nan 0.000 0.510 855 A N 1.130 123.972 122.820 0.036 0.000 1.917 855 A HA -0.063 4.255 4.320 -0.003 0.000 0.219 855 A C 1.331 178.909 177.584 -0.011 0.000 1.182 855 A CA 1.863 53.914 52.037 0.023 0.000 0.633 855 A CB -0.198 18.837 19.000 0.058 0.000 0.819 855 A HN 0.243 nan 8.150 nan 0.000 0.448 856 V N -5.384 114.513 119.914 -0.030 0.000 3.130 856 V HA 0.725 4.843 4.120 -0.003 0.000 0.310 856 V C -0.677 175.375 176.094 -0.070 0.000 1.158 856 V CA -0.541 61.720 62.300 -0.065 0.000 1.029 856 V CB 1.702 33.456 31.823 -0.116 0.000 1.057 856 V HN 0.025 nan 8.190 nan 0.000 0.436 857 T N 3.957 118.466 114.554 -0.076 0.000 2.772 857 T HA 0.732 5.080 4.350 -0.003 0.000 0.288 857 T C -0.320 174.317 174.700 -0.104 0.000 0.994 857 T CA -0.193 61.871 62.100 -0.060 0.000 0.951 857 T CB 0.691 69.546 68.868 -0.022 0.000 0.933 857 T HN 0.640 nan 8.240 nan 0.000 0.447 858 L N 2.153 123.303 121.223 -0.122 0.000 2.298 858 L HA 0.568 4.906 4.340 -0.003 0.000 0.268 858 L C 1.694 178.616 176.870 0.087 0.000 1.010 858 L CA -1.235 53.501 54.840 -0.174 0.000 0.812 858 L CB 1.253 43.111 42.059 -0.335 0.000 1.331 858 L HN 0.508 nan 8.230 nan 0.000 0.450 859 R N -0.105 120.605 120.500 0.350 0.000 2.285 859 R HA 0.005 4.343 4.340 -0.003 0.000 0.213 859 R C -0.042 176.325 176.300 0.112 0.000 1.068 859 R CA 0.521 56.736 56.100 0.193 0.000 1.004 859 R CB -0.175 30.211 30.300 0.142 0.000 0.873 859 R HN 0.510 nan 8.270 nan 0.000 0.467 860 V N -2.193 117.774 119.914 0.088 0.000 3.001 860 V HA 0.573 4.691 4.120 -0.003 0.000 0.314 860 V C -2.578 173.519 176.094 0.005 0.000 1.099 860 V CA -2.881 59.452 62.300 0.055 0.000 0.989 860 V CB 2.278 34.137 31.823 0.060 0.000 1.040 860 V HN -0.155 nan 8.190 nan 0.000 0.434 861 P HA 0.425 nan 4.420 nan 0.000 0.274 861 P C -1.022 176.259 177.300 -0.031 0.000 1.246 861 P CA -0.407 62.695 63.100 0.003 0.000 0.795 861 P CB 1.216 32.934 31.700 0.030 0.000 1.006 862 L N 0.898 122.117 121.223 -0.006 0.000 2.325 862 L HA 0.499 4.837 4.340 -0.003 0.000 0.278 862 L C 0.612 177.525 176.870 0.071 0.000 1.023 862 L CA -0.678 54.175 54.840 0.021 0.000 0.811 862 L CB 1.655 43.760 42.059 0.076 0.000 1.249 862 L HN 0.368 nan 8.230 nan 0.000 0.431 863 K N 2.374 122.828 120.400 0.090 0.000 2.345 863 K HA 0.677 4.995 4.320 -0.003 0.000 0.255 863 K C -1.741 174.909 176.600 0.083 0.000 0.934 863 K CA -0.554 55.779 56.287 0.077 0.000 0.801 863 K CB 2.245 34.781 32.500 0.061 0.000 1.137 863 K HN 0.330 nan 8.250 nan 0.000 0.424 864 V N 3.872 123.803 119.914 0.030 0.000 2.531 864 V HA 0.271 4.389 4.120 -0.003 0.000 0.301 864 V C -0.745 175.363 176.094 0.023 0.000 1.034 864 V CA -0.959 61.319 62.300 -0.038 0.000 0.865 864 V CB 1.796 33.521 31.823 -0.163 0.000 0.995 864 V HN 0.827 nan 8.190 nan 0.000 0.424 865 D N 3.106 123.491 120.400 -0.025 0.000 2.277 865 D HA 0.623 5.261 4.640 -0.003 0.000 0.250 865 D C -0.883 175.322 176.300 -0.159 0.000 1.032 865 D CA 0.139 54.055 54.000 -0.140 0.000 0.947 865 D CB 2.195 42.897 40.800 -0.164 0.000 1.159 865 D HN 0.600 nan 8.370 nan 0.000 0.460 866 Y N -2.263 117.753 120.300 -0.474 0.000 2.571 866 Y HA 0.612 5.160 4.550 -0.003 0.000 0.341 866 Y C -0.943 174.397 175.900 -0.933 0.000 1.076 866 Y CA -0.943 56.800 58.100 -0.595 0.000 1.029 866 Y CB 1.611 39.824 38.460 -0.412 0.000 1.308 866 Y HN 0.286 nan 8.280 nan 0.000 0.461 867 H N 0.956 119.858 119.070 -0.280 0.000 3.037 867 H HA 0.471 5.025 4.556 -0.003 0.000 0.355 867 H C -1.788 173.431 175.328 -0.183 0.000 1.263 867 H CA -0.929 54.977 56.048 -0.236 0.000 1.129 867 H CB 2.700 32.333 29.762 -0.216 0.000 1.861 867 H HN 0.893 nan 8.280 nan 0.000 0.546 868 Y N -1.369 118.949 120.300 0.030 0.000 2.609 868 Y HA 0.719 5.267 4.550 -0.003 0.000 0.336 868 Y C -0.479 175.487 175.900 0.110 0.000 1.129 868 Y CA -0.749 57.394 58.100 0.072 0.000 1.040 868 Y CB 1.634 40.209 38.460 0.191 0.000 1.310 868 Y HN 0.951 nan 8.280 nan 0.000 0.460 869 G N -0.130 108.848 108.800 0.298 0.000 2.488 869 G HA2 0.382 4.340 3.960 -0.003 0.000 0.301 869 G HA3 0.382 4.340 3.960 -0.003 0.000 0.301 869 G C -0.348 174.692 174.900 0.234 0.000 1.339 869 G CA -0.508 44.715 45.100 0.205 0.000 0.803 869 G HN 1.207 nan 8.290 nan 0.000 0.482 870 S N -1.587 114.228 115.700 0.191 0.000 2.515 870 S HA 0.260 4.728 4.470 -0.003 0.000 0.231 870 S C 1.121 175.836 174.600 0.192 0.000 0.987 870 S CA 1.572 59.879 58.200 0.180 0.000 0.936 870 S CB -0.409 62.876 63.200 0.141 0.000 0.766 870 S HN 1.792 nan 8.310 nan 0.000 0.528 871 T N -4.667 110.023 114.554 0.228 0.000 2.816 871 T HA 0.378 4.726 4.350 -0.003 0.000 0.299 871 T C -0.093 174.830 174.700 0.372 0.000 1.230 871 T CA -0.746 61.522 62.100 0.281 0.000 1.007 871 T CB 0.499 69.527 68.868 0.266 0.000 1.289 871 T HN 0.122 nan 8.240 nan 0.000 0.508 872 W N 0.676 122.098 121.300 0.203 0.000 2.338 872 W HA -0.136 4.522 4.660 -0.003 0.000 0.304 872 W C 1.879 178.471 176.519 0.123 0.000 1.212 872 W CA 1.296 58.731 57.345 0.150 0.000 1.264 872 W CB -1.118 28.426 29.460 0.140 0.000 1.142 872 W HN 0.913 nan 8.180 nan 0.000 0.512 873 Y N 1.641 122.068 120.300 0.213 0.000 2.207 873 Y HA -0.248 4.300 4.550 -0.003 0.000 0.287 873 Y C 2.096 178.010 175.900 0.024 0.000 1.156 873 Y CA 2.606 60.721 58.100 0.025 0.000 1.182 873 Y CB -0.601 37.869 38.460 0.018 0.000 0.979 873 Y HN -0.144 nan 8.280 nan 0.000 0.521 874 D N 0.281 120.820 120.400 0.232 0.000 2.347 874 D HA 0.027 4.665 4.640 -0.003 0.000 0.215 874 D C 0.868 177.169 176.300 0.002 0.000 0.976 874 D CA 0.913 54.972 54.000 0.098 0.000 0.884 874 D CB -0.207 40.695 40.800 0.171 0.000 0.915 874 D HN 0.352 nan 8.370 nan 0.000 0.526 875 A N 1.804 124.670 122.820 0.078 0.000 3.051 875 A HA 0.166 4.484 4.320 -0.003 0.000 0.257 875 A C 0.586 178.141 177.584 -0.047 0.000 1.785 875 A CA -0.102 51.985 52.037 0.083 0.000 1.420 875 A CB -0.763 18.365 19.000 0.213 0.000 1.063 875 A HN 0.194 nan 8.150 nan 0.000 0.630 876 K N 0.000 120.249 120.400 -0.252 0.000 2.780 876 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 876 K CA 0.000 55.905 56.287 -0.637 0.000 0.838 876 K CB 0.000 32.198 32.500 -0.504 0.000 1.064 876 K HN 0.000 nan 8.250 nan 0.000 0.543