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 3l4y_1_A DATA FIRST_RESID 7 DATA SEQUENCE VNELERINcI PDQPPTKATC DQRGcCWNPQ GAVSVPWCYY SKNHSYHVEG DATA SEQUENCE NLVNTNAGFT ARLKNLPSSP VFGSNVDNVL LTAEYQTSNR FHFKLTDQTN DATA SEQUENCE NRFEVPHEHV QSFSGNAAAS LTYQVEISRQ PFSIKVTRRS NNRVLFDSSI DATA SEQUENCE GPLLFADQFL QLSTRLPSTN VYGLGEHVHQ QYRHDMNWKT WPIFNRDTTP DATA SEQUENCE NGNGTNLYGA QTFFLCLEDA SGLSFGVFLM NSNAMEVVLQ PAPAITYRTI DATA SEQUENCE GGILDFYVFL GNTPEQVVQE YLELIGRPAL PSYWALGFHL SRYEYGTLDN DATA SEQUENCE MREVVERNRA AQLPYDVQHA DIDYMDERRD FTYDSVDFKG FPEFVNELHN DATA SEQUENCE NGQKLVIIVD PAISNNSSSS KPYGPYDRGS DMKIWVNSSD GVTPLIGEVW DATA SEQUENCE PGQTVFPDYT NPNCAVWWTK EFELFHNQVE FDGIWIDMNE VSNFVDGSVS DATA SEQUENCE GCSTNNLNNP PFTPRILDGY LFCKTLCMDA VQHWGKQYDI HNLYGYSMAV DATA SEQUENCE ATAEAAKTVF PNKRSFILTR STFAGSGKFA AHWLGDNTAT WDDLRWSIPG DATA SEQUENCE VLEFNLFGIP MVGPDIcGFA LDTPEELcRR WMQLGAFYPF SRNHNGQGYK DATA SEQUENCE DQDPASFGAD SLLLNSSRHY LNIRYTLLPY LYTLFFRAHS RGDTVARPLL DATA SEQUENCE HEFYEDNSTW DVHQQFLWGP GLLITPVLDE GAEKVMAYVP DAVWYDYETG DATA SEQUENCE SQVRWRKQKV EMELPGDKIG LHLRGGYIFP TQQPNTTTLA SRKNPLGLII DATA SEQUENCE ALDENKEAKG ELFWDDGETK DTVANKVYLL CEFSVTQNRL EVNISQSTYK DATA SEQUENCE DPNNLAFNEI KILGTEEPSN VTVKHNGVPS XTSPTVTYDS NLKVAIITDI DATA SEQUENCE DLLLGEAYTV EWAH 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.067 176.094 -0.046 0.000 1.182 7 V CA 0.000 62.301 62.300 0.001 0.000 1.235 7 V CB 0.000 31.828 31.823 0.008 0.000 1.184 8 N N 3.600 122.281 118.700 -0.032 0.000 2.219 8 N HA -0.082 4.669 4.740 0.018 0.000 0.263 8 N C 1.428 176.905 175.510 -0.056 0.000 1.269 8 N CA 1.211 54.240 53.050 -0.034 0.000 0.831 8 N CB 1.057 39.530 38.487 -0.024 0.000 1.059 8 N HN 0.958 nan 8.380 nan 0.000 0.475 9 E N 3.778 123.951 120.200 -0.046 0.000 2.268 9 E HA -0.146 4.216 4.350 0.018 0.000 0.195 9 E C 1.298 177.963 176.600 0.108 0.000 0.995 9 E CA 0.744 57.114 56.400 -0.050 0.000 0.836 9 E CB -0.240 29.431 29.700 -0.048 0.000 0.763 9 E HN 0.660 nan 8.360 nan 0.000 0.491 10 L N 0.695 121.983 121.223 0.107 0.000 2.362 10 L HA -0.066 4.285 4.340 0.018 0.000 0.219 10 L C 1.622 178.488 176.870 -0.005 0.000 1.134 10 L CA 1.076 55.974 54.840 0.096 0.000 0.807 10 L CB -0.285 41.751 42.059 -0.038 0.000 0.927 10 L HN 0.175 nan 8.230 nan 0.000 0.447 11 E N -0.301 119.902 120.200 0.005 0.000 2.481 11 E HA 0.096 4.457 4.350 0.018 0.000 0.198 11 E C 0.177 176.795 176.600 0.031 0.000 1.027 11 E CA -0.263 56.128 56.400 -0.014 0.000 0.900 11 E CB 0.444 30.129 29.700 -0.026 0.000 0.993 11 E HN 0.374 nan 8.360 nan 0.000 0.482 12 R N 1.395 121.919 120.500 0.041 0.000 2.442 12 R HA 0.142 4.493 4.340 0.018 0.000 0.291 12 R C -0.160 176.263 176.300 0.206 0.000 1.069 12 R CA 0.091 56.188 56.100 -0.005 0.000 1.022 12 R CB 0.737 30.859 30.300 -0.296 0.000 0.976 12 R HN -0.015 nan 8.270 nan 0.000 0.443 13 I N 3.254 123.991 120.570 0.278 0.000 2.312 13 I HA 0.050 4.231 4.170 0.018 0.000 0.290 13 I C 0.261 176.574 176.117 0.327 0.000 1.008 13 I CA -1.019 60.477 61.300 0.328 0.000 1.226 13 I CB 0.768 38.986 38.000 0.362 0.000 1.371 13 I HN 0.528 nan 8.210 nan 0.000 0.468 14 N N 4.757 123.602 118.700 0.242 0.000 2.411 14 N HA -0.093 4.658 4.740 0.018 0.000 0.265 14 N C 0.795 176.284 175.510 -0.034 0.000 1.266 14 N CA 0.347 53.464 53.050 0.111 0.000 0.889 14 N CB 0.604 39.155 38.487 0.107 0.000 1.069 14 N HN 0.742 nan 8.380 nan 0.000 0.476 15 c N 4.627 123.035 118.600 -0.320 0.000 2.696 15 c HA 0.405 4.986 4.570 0.018 0.000 0.264 15 c C 0.552 174.516 174.090 -0.210 0.000 1.288 15 c CA -0.324 55.587 56.329 -0.696 0.000 1.717 15 c CB -1.218 40.731 42.510 -0.936 0.000 1.893 15 c HN 0.702 nan 8.230 nan 0.000 0.577 16 I N 2.350 122.891 120.570 -0.048 0.000 2.782 16 I HA 0.257 4.438 4.170 0.018 0.000 0.279 16 I C -1.737 174.437 176.117 0.095 0.000 1.247 16 I CA -1.059 60.266 61.300 0.042 0.000 1.062 16 I CB 1.131 39.163 38.000 0.053 0.000 1.421 16 I HN 0.070 nan 8.210 nan 0.000 0.558 17 P HA -0.046 nan 4.420 nan 0.000 0.236 17 P C 0.437 177.911 177.300 0.291 0.000 1.177 17 P CA 1.014 64.236 63.100 0.202 0.000 0.773 17 P CB 0.288 32.105 31.700 0.197 0.000 0.878 18 D N -0.996 119.598 120.400 0.324 0.000 2.417 18 D HA 0.012 4.663 4.640 0.018 0.000 0.207 18 D C 0.852 177.243 176.300 0.152 0.000 1.075 18 D CA 0.291 54.493 54.000 0.338 0.000 0.851 18 D CB 0.312 41.430 40.800 0.531 0.000 0.976 18 D HN 0.355 nan 8.370 nan 0.000 0.505 19 Q N -0.437 119.426 119.800 0.105 0.000 2.685 19 Q HA 0.470 4.821 4.340 0.018 0.000 0.301 19 Q C -3.247 172.761 176.000 0.013 0.000 0.924 19 Q CA -1.744 54.085 55.803 0.044 0.000 0.755 19 Q CB 0.689 29.456 28.738 0.049 0.000 1.470 19 Q HN -0.305 nan 8.270 nan 0.000 0.434 20 P HA 0.178 nan 4.420 nan 0.000 0.267 20 P C -2.397 174.917 177.300 0.023 0.000 1.209 20 P CA -0.497 62.582 63.100 -0.034 0.000 0.763 20 P CB -0.110 31.574 31.700 -0.026 0.000 0.816 21 P HA 0.113 nan 4.420 nan 0.000 0.276 21 P C -0.653 176.877 177.300 0.383 0.000 1.230 21 P CA 0.040 63.278 63.100 0.230 0.000 0.776 21 P CB 0.705 32.576 31.700 0.284 0.000 0.888 22 T N -1.418 113.264 114.554 0.212 0.000 2.906 22 T HA 0.319 4.680 4.350 0.018 0.000 0.295 22 T C 0.928 175.246 174.700 -0.636 0.000 1.061 22 T CA -0.917 61.135 62.100 -0.080 0.000 1.000 22 T CB 2.285 71.105 68.868 -0.081 0.000 1.103 22 T HN 0.300 nan 8.240 nan 0.000 0.486 23 K N 0.829 120.460 120.400 -1.282 0.000 2.097 23 K HA -0.034 4.297 4.320 0.018 0.000 0.206 23 K C 2.313 178.536 176.600 -0.628 0.000 1.049 23 K CA 1.387 56.788 56.287 -1.477 0.000 0.933 23 K CB -0.668 30.978 32.500 -1.423 0.000 0.717 23 K HN 0.731 nan 8.250 nan 0.000 0.442 24 A N 0.317 122.893 122.820 -0.406 0.000 1.902 24 A HA -0.129 4.202 4.320 0.018 0.000 0.217 24 A C 2.163 179.635 177.584 -0.185 0.000 1.181 24 A CA 2.101 53.995 52.037 -0.240 0.000 0.623 24 A CB -0.923 17.976 19.000 -0.168 0.000 0.818 24 A HN 0.381 nan 8.150 nan 0.000 0.443 25 T N -1.117 113.337 114.554 -0.168 0.000 2.777 25 T HA -0.176 4.185 4.350 0.018 0.000 0.266 25 T C 1.968 176.605 174.700 -0.105 0.000 1.040 25 T CA 1.347 63.380 62.100 -0.111 0.000 1.141 25 T CB -0.773 68.053 68.868 -0.071 0.000 0.868 25 T HN 0.629 nan 8.240 nan 0.000 0.444 26 C N 1.882 121.110 119.300 -0.120 0.000 2.398 26 C HA -0.159 4.313 4.460 0.018 0.000 0.276 26 C C 2.397 177.340 174.990 -0.079 0.000 1.222 26 C CA 1.206 60.188 59.018 -0.059 0.000 1.746 26 C CB -1.177 26.582 27.740 0.031 0.000 2.039 26 C HN 0.492 nan 8.230 nan 0.000 0.470 27 D N -0.351 119.971 120.400 -0.130 0.000 2.117 27 D HA -0.127 4.524 4.640 0.018 0.000 0.198 27 D C 2.138 178.394 176.300 -0.073 0.000 0.982 27 D CA 1.484 55.423 54.000 -0.100 0.000 0.828 27 D CB -0.697 40.024 40.800 -0.130 0.000 0.967 27 D HN 0.625 nan 8.370 nan 0.000 0.464 28 Q N 0.890 120.641 119.800 -0.082 0.000 2.170 28 Q HA -0.053 4.298 4.340 0.018 0.000 0.203 28 Q C 1.606 177.578 176.000 -0.046 0.000 0.976 28 Q CA 1.362 57.125 55.803 -0.067 0.000 0.858 28 Q CB 0.044 28.735 28.738 -0.078 0.000 0.907 28 Q HN 0.152 nan 8.270 nan 0.000 0.433 29 R N -1.217 119.260 120.500 -0.038 0.000 2.310 29 R HA 0.219 4.570 4.340 0.018 0.000 0.202 29 R C 0.722 177.090 176.300 0.113 0.000 0.933 29 R CA 0.528 56.640 56.100 0.019 0.000 1.054 29 R CB 0.226 30.510 30.300 -0.026 0.000 0.985 29 R HN 0.372 nan 8.270 nan 0.000 0.489 30 G N 1.051 109.879 108.800 0.046 0.000 2.198 30 G HA2 -0.288 3.683 3.960 0.018 0.000 0.257 30 G HA3 -0.288 3.683 3.960 0.018 0.000 0.257 30 G C 0.160 175.117 174.900 0.094 0.000 1.042 30 G CA 0.037 45.173 45.100 0.059 0.000 0.791 30 G HN 0.338 nan 8.290 nan 0.000 0.502 31 c N -0.933 117.679 118.600 0.020 0.000 2.484 31 c HA 0.771 5.353 4.570 0.018 0.000 0.409 31 c C 1.334 175.349 174.090 -0.124 0.000 1.434 31 c CA -0.469 55.821 56.329 -0.066 0.000 1.913 31 c CB 1.237 43.633 42.510 -0.192 0.000 2.028 31 c HN 0.702 nan 8.230 nan 0.000 0.516 32 C N 1.431 120.528 119.300 -0.338 0.000 2.350 32 C HA 0.495 4.966 4.460 0.018 0.000 0.348 32 C C -0.278 174.531 174.990 -0.302 0.000 1.260 32 C CA -0.614 58.137 59.018 -0.445 0.000 1.966 32 C CB -0.225 26.947 27.740 -0.947 0.000 2.380 32 C HN 0.857 nan 8.230 nan 0.000 0.535 33 W N 4.864 126.025 121.300 -0.231 0.000 2.471 33 W HA 0.442 5.113 4.660 0.018 0.000 0.318 33 W C -0.754 175.760 176.519 -0.008 0.000 1.034 33 W CA -0.178 57.117 57.345 -0.083 0.000 1.224 33 W CB 1.135 30.553 29.460 -0.069 0.000 1.335 33 W HN 0.747 nan 8.180 nan 0.000 0.452 34 N N 8.022 126.422 118.700 -0.501 0.000 2.827 34 N HA 0.164 4.915 4.740 0.018 0.000 0.240 34 N C -2.337 172.714 175.510 -0.765 0.000 1.352 34 N CA -1.404 51.375 53.050 -0.453 0.000 0.760 34 N CB 1.509 39.963 38.487 -0.056 0.000 1.426 34 N HN 0.122 nan 8.380 nan 0.000 0.561 35 P HA 0.068 nan 4.420 nan 0.000 0.253 35 P C 0.142 176.759 177.300 -1.138 0.000 1.281 35 P CA 0.404 62.419 63.100 -1.808 0.000 0.792 35 P CB 0.415 30.872 31.700 -2.071 0.000 1.193 36 Q N -0.332 119.111 119.800 -0.595 0.000 2.365 36 Q HA 0.181 4.532 4.340 0.018 0.000 0.203 36 Q C 1.266 177.150 176.000 -0.192 0.000 0.929 36 Q CA 0.042 55.643 55.803 -0.335 0.000 0.948 36 Q CB -0.189 28.412 28.738 -0.228 0.000 1.043 36 Q HN 0.204 nan 8.270 nan 0.000 0.505 37 G N 0.506 109.211 108.800 -0.159 0.000 2.553 37 G HA2 0.457 4.428 3.960 0.018 0.000 0.278 37 G HA3 0.457 4.428 3.960 0.018 0.000 0.278 37 G C -0.214 174.672 174.900 -0.022 0.000 1.349 37 G CA 0.024 45.082 45.100 -0.071 0.000 1.037 37 G HN 0.315 nan 8.290 nan 0.000 0.508 38 A N -1.482 121.323 122.820 -0.026 0.000 2.280 38 A HA 0.521 4.852 4.320 0.018 0.000 0.268 38 A C 0.720 178.264 177.584 -0.066 0.000 1.111 38 A CA -0.164 51.863 52.037 -0.017 0.000 0.814 38 A CB 0.456 19.466 19.000 0.017 0.000 1.093 38 A HN 1.600 nan 8.150 nan 0.000 0.498 39 V N 0.892 120.769 119.914 -0.062 0.000 2.752 39 V HA 0.217 4.348 4.120 0.018 0.000 0.306 39 V C 0.956 176.870 176.094 -0.299 0.000 1.099 39 V CA 1.894 64.118 62.300 -0.127 0.000 1.240 39 V CB 0.051 31.831 31.823 -0.072 0.000 0.887 39 V HN 1.646 nan 8.190 nan 0.000 0.499 40 S N 1.396 116.850 115.700 -0.411 0.000 2.608 40 S HA -0.181 4.300 4.470 0.018 0.000 0.256 40 S C 0.213 174.097 174.600 -1.194 0.000 1.270 40 S CA 0.922 58.725 58.200 -0.661 0.000 1.465 40 S CB -1.814 61.078 63.200 -0.514 0.000 1.833 40 S HN 1.146 nan 8.310 nan 0.000 0.641 41 V N 4.221 123.518 119.914 -1.029 0.000 2.529 41 V HA 0.198 4.329 4.120 0.018 0.000 0.292 41 V C -1.841 173.916 176.094 -0.561 0.000 1.028 41 V CA -0.996 60.700 62.300 -1.005 0.000 1.074 41 V CB 0.126 31.708 31.823 -0.401 0.000 0.958 41 V HN 0.109 nan 8.190 nan 0.000 0.481 42 P HA 0.034 nan 4.420 nan 0.000 0.267 42 P C -0.116 177.220 177.300 0.059 0.000 1.205 42 P CA -0.066 62.916 63.100 -0.198 0.000 0.765 42 P CB 0.392 32.057 31.700 -0.059 0.000 0.828 43 W N 2.044 123.204 121.300 -0.232 0.000 2.518 43 W HA 0.070 4.741 4.660 0.019 0.000 0.273 43 W C 0.764 177.129 176.519 -0.257 0.000 1.247 43 W CA -0.037 57.067 57.345 -0.402 0.000 1.288 43 W CB -0.561 28.529 29.460 -0.617 0.000 1.107 43 W HN 0.257 nan 8.180 nan 0.000 0.586 44 C N 1.760 121.197 119.300 0.228 0.000 2.340 44 C HA 0.675 5.146 4.460 0.018 0.000 0.323 44 C C -0.702 174.355 174.990 0.112 0.000 1.260 44 C CA -0.810 58.342 59.018 0.223 0.000 1.464 44 C CB -1.099 26.832 27.740 0.320 0.000 2.156 44 C HN 0.221 nan 8.230 nan 0.000 0.476 45 Y N 2.933 123.201 120.300 -0.054 0.000 2.562 45 Y HA 0.691 5.252 4.550 0.018 0.000 0.345 45 Y C -1.208 174.618 175.900 -0.122 0.000 1.045 45 Y CA -1.564 56.470 58.100 -0.110 0.000 1.028 45 Y CB 0.258 38.722 38.460 0.006 0.000 1.297 45 Y HN 0.606 nan 8.280 nan 0.000 0.463 46 Y N 2.010 122.391 120.300 0.134 0.000 2.610 46 Y HA 0.240 4.801 4.550 0.018 0.000 0.332 46 Y C 1.282 177.228 175.900 0.077 0.000 1.201 46 Y CA 0.649 58.776 58.100 0.045 0.000 1.465 46 Y CB 0.548 39.032 38.460 0.040 0.000 1.283 46 Y HN 0.821 nan 8.280 nan 0.000 0.563 47 S N 1.945 117.780 115.700 0.225 0.000 2.661 47 S HA 0.236 4.717 4.470 0.018 0.000 0.265 47 S C 0.879 175.607 174.600 0.214 0.000 1.225 47 S CA -0.726 57.574 58.200 0.167 0.000 0.986 47 S CB 0.909 64.183 63.200 0.123 0.000 1.008 47 S HN 0.715 nan 8.310 nan 0.000 0.565 48 K N 0.204 120.698 120.400 0.158 0.000 2.365 48 K HA 0.122 4.453 4.320 0.018 0.000 0.199 48 K C 0.280 176.958 176.600 0.131 0.000 1.045 48 K CA 0.614 56.983 56.287 0.136 0.000 0.962 48 K CB -0.172 32.388 32.500 0.101 0.000 0.759 48 K HN 0.481 nan 8.250 nan 0.000 0.469 49 N N 0.128 118.909 118.700 0.135 0.000 2.642 49 N HA 0.020 4.771 4.740 0.018 0.000 0.308 49 N C -0.149 175.437 175.510 0.127 0.000 1.914 49 N CA 0.067 53.188 53.050 0.119 0.000 0.893 49 N CB 0.645 39.173 38.487 0.069 0.000 1.322 49 N HN 0.167 nan 8.380 nan 0.000 0.490 50 H N 0.128 119.257 119.070 0.099 0.000 2.423 50 H HA -0.052 4.515 4.556 0.019 0.000 0.297 50 H C 1.943 177.303 175.328 0.054 0.000 1.075 50 H CA 2.128 58.234 56.048 0.096 0.000 1.342 50 H CB 0.692 30.544 29.762 0.150 0.000 1.395 50 H HN 0.352 nan 8.280 nan 0.000 0.530 51 S N -1.710 114.094 115.700 0.173 0.000 3.641 51 S HA 0.188 4.669 4.470 0.018 0.000 0.180 51 S C -0.303 174.314 174.600 0.029 0.000 0.854 51 S CA -0.620 57.693 58.200 0.188 0.000 1.343 51 S CB 0.224 63.633 63.200 0.348 0.000 0.685 51 S HN 0.159 nan 8.310 nan 0.000 0.724 52 Y N 1.312 121.724 120.300 0.186 0.000 2.549 52 Y HA 0.657 5.218 4.550 0.019 0.000 0.339 52 Y C -0.015 176.008 175.900 0.204 0.000 1.053 52 Y CA -0.647 57.526 58.100 0.122 0.000 1.105 52 Y CB 1.726 40.210 38.460 0.039 0.000 1.258 52 Y HN 0.875 nan 8.280 nan 0.000 0.478 53 H N -2.025 117.184 119.070 0.232 0.000 2.821 53 H HA 0.738 5.305 4.556 0.019 0.000 0.373 53 H C -1.576 173.846 175.328 0.157 0.000 1.165 53 H CA -1.323 54.840 56.048 0.192 0.000 1.154 53 H CB 0.671 30.498 29.762 0.108 0.000 1.765 53 H HN 0.362 nan 8.280 nan 0.000 0.549 54 V N 1.749 121.788 119.914 0.208 0.000 2.572 54 V HA 0.051 4.183 4.120 0.018 0.000 0.291 54 V C 0.375 176.542 176.094 0.122 0.000 1.039 54 V CA 0.056 62.420 62.300 0.106 0.000 1.055 54 V CB 0.617 32.536 31.823 0.159 0.000 0.969 54 V HN 0.842 nan 8.190 nan 0.000 0.482 55 E N 3.950 124.159 120.200 0.015 0.000 2.109 55 E HA 0.559 4.920 4.350 0.018 0.000 0.278 55 E C 0.444 177.076 176.600 0.053 0.000 0.954 55 E CA 0.803 57.237 56.400 0.056 0.000 0.779 55 E CB 0.840 30.531 29.700 -0.015 0.000 1.093 55 E HN 0.999 nan 8.360 nan 0.000 0.401 56 G N 4.351 113.193 108.800 0.070 0.000 2.539 56 G HA2 -0.289 3.682 3.960 0.018 0.000 0.256 56 G HA3 -0.289 3.682 3.960 0.018 0.000 0.256 56 G C -0.387 174.537 174.900 0.041 0.000 1.233 56 G CA -0.161 44.967 45.100 0.047 0.000 0.936 56 G HN 0.635 nan 8.290 nan 0.000 0.571 57 N N -0.298 118.420 118.700 0.030 0.000 2.489 57 N HA 0.633 5.385 4.740 0.018 0.000 0.284 57 N C 0.138 175.666 175.510 0.029 0.000 1.158 57 N CA -0.691 52.373 53.050 0.023 0.000 0.965 57 N CB 1.179 39.676 38.487 0.017 0.000 1.195 57 N HN 0.480 nan 8.380 nan 0.000 0.506 58 L N 0.658 121.890 121.223 0.015 0.000 2.452 58 L HA 0.231 4.582 4.340 0.018 0.000 0.267 58 L C -0.091 176.814 176.870 0.058 0.000 1.188 58 L CA -0.043 54.818 54.840 0.035 0.000 0.821 58 L CB 0.583 42.592 42.059 -0.083 0.000 1.102 58 L HN 0.213 nan 8.230 nan 0.000 0.470 59 V N 3.204 123.189 119.914 0.119 0.000 2.378 59 V HA 0.342 4.473 4.120 0.018 0.000 0.288 59 V C 0.055 176.253 176.094 0.172 0.000 1.016 59 V CA -1.119 61.248 62.300 0.112 0.000 0.840 59 V CB 1.345 33.221 31.823 0.089 0.000 0.994 59 V HN 0.682 nan 8.190 nan 0.000 0.431 60 N N 3.286 122.075 118.700 0.148 0.000 2.458 60 N HA 0.194 4.945 4.740 0.018 0.000 0.258 60 N C 0.259 175.857 175.510 0.148 0.000 1.219 60 N CA 0.267 53.427 53.050 0.182 0.000 0.902 60 N CB 1.460 40.031 38.487 0.139 0.000 1.076 60 N HN 0.866 nan 8.380 nan 0.000 0.455 61 T N -1.495 113.158 114.554 0.166 0.000 2.926 61 T HA 0.281 4.642 4.350 0.018 0.000 0.289 61 T C 1.002 175.785 174.700 0.138 0.000 1.054 61 T CA -0.874 61.298 62.100 0.120 0.000 1.015 61 T CB 1.283 70.207 68.868 0.093 0.000 1.167 61 T HN 0.375 nan 8.240 nan 0.000 0.526 62 N N 0.230 118.995 118.700 0.109 0.000 2.094 62 N HA -0.163 4.588 4.740 0.018 0.000 0.191 62 N C 1.979 177.605 175.510 0.193 0.000 1.023 62 N CA 1.237 54.358 53.050 0.118 0.000 0.857 62 N CB -0.226 38.301 38.487 0.067 0.000 1.013 62 N HN 0.762 nan 8.380 nan 0.000 0.426 63 A N -0.335 122.621 122.820 0.226 0.000 2.072 63 A HA 0.375 4.706 4.320 0.018 0.000 0.216 63 A C 1.324 179.089 177.584 0.303 0.000 1.156 63 A CA 1.324 53.586 52.037 0.375 0.000 0.701 63 A CB 0.109 19.377 19.000 0.447 0.000 0.816 63 A HN 0.447 nan 8.150 nan 0.000 0.458 64 G N -1.585 107.357 108.800 0.237 0.000 2.528 64 G HA2 0.407 4.378 3.960 0.018 0.000 0.078 64 G HA3 0.407 4.378 3.960 0.018 0.000 0.078 64 G C -0.528 174.545 174.900 0.289 0.000 1.008 64 G CA 0.076 45.307 45.100 0.219 0.000 1.309 64 G HN 1.026 nan 8.290 nan 0.000 0.564 65 F N -0.021 119.963 119.950 0.056 0.000 2.713 65 F HA 0.825 5.363 4.527 0.019 0.000 0.311 65 F C -0.422 175.384 175.800 0.010 0.000 1.141 65 F CA -0.378 57.656 58.000 0.056 0.000 0.939 65 F CB 1.450 40.501 39.000 0.084 0.000 1.325 65 F HN 0.733 nan 8.300 nan 0.000 0.453 66 T N -0.402 114.298 114.554 0.244 0.000 2.924 66 T HA 0.954 5.315 4.350 0.018 0.000 0.291 66 T C -0.908 173.935 174.700 0.238 0.000 1.045 66 T CA -0.480 61.693 62.100 0.123 0.000 1.015 66 T CB 1.672 70.556 68.868 0.026 0.000 1.103 66 T HN 1.641 nan 8.240 nan 0.000 0.496 67 A N 1.299 124.201 122.820 0.136 0.000 2.515 67 A HA 0.787 5.118 4.320 0.018 0.000 0.298 67 A C -0.502 177.069 177.584 -0.021 0.000 1.059 67 A CA -1.091 50.998 52.037 0.087 0.000 0.698 67 A CB 1.617 20.696 19.000 0.131 0.000 1.289 67 A HN 1.014 nan 8.150 nan 0.000 0.404 68 R N 2.148 122.628 120.500 -0.032 0.000 2.254 68 R HA 0.632 4.983 4.340 0.018 0.000 0.318 68 R C -1.440 174.790 176.300 -0.116 0.000 1.031 68 R CA -0.326 55.728 56.100 -0.078 0.000 0.905 68 R CB 0.355 30.625 30.300 -0.050 0.000 1.050 68 R HN 0.680 nan 8.270 nan 0.000 0.456 69 L N 4.106 125.224 121.223 -0.175 0.000 2.329 69 L HA 0.512 4.863 4.340 0.018 0.000 0.279 69 L C -0.374 176.446 176.870 -0.083 0.000 1.014 69 L CA -0.887 53.845 54.840 -0.180 0.000 0.814 69 L CB 1.939 43.794 42.059 -0.341 0.000 1.257 69 L HN 0.597 nan 8.230 nan 0.000 0.424 70 K N 1.848 122.135 120.400 -0.190 0.000 2.324 70 K HA 0.301 4.632 4.320 0.018 0.000 0.253 70 K C -0.513 175.954 176.600 -0.222 0.000 0.932 70 K CA -0.753 55.421 56.287 -0.188 0.000 0.799 70 K CB 1.654 33.976 32.500 -0.297 0.000 1.154 70 K HN 0.438 nan 8.250 nan 0.000 0.425 71 N N 3.695 122.228 118.700 -0.278 0.000 2.468 71 N HA 0.029 4.780 4.740 0.018 0.000 0.265 71 N C -0.754 174.589 175.510 -0.278 0.000 1.199 71 N CA -0.194 52.461 53.050 -0.659 0.000 0.928 71 N CB 0.356 38.542 38.487 -0.501 0.000 1.059 71 N HN 0.394 nan 8.380 nan 0.000 0.467 72 L N 5.574 126.659 121.223 -0.230 0.000 2.410 72 L HA 0.297 4.648 4.340 0.018 0.000 0.273 72 L C -1.665 175.120 176.870 -0.142 0.000 1.152 72 L CA -1.683 53.112 54.840 -0.075 0.000 0.855 72 L CB -0.032 42.012 42.059 -0.025 0.000 1.129 72 L HN 0.578 nan 8.230 nan 0.000 0.463 73 P HA -0.032 nan 4.420 nan 0.000 0.257 73 P C -0.264 176.945 177.300 -0.151 0.000 1.153 73 P CA 0.489 63.528 63.100 -0.101 0.000 0.762 73 P CB 0.637 32.294 31.700 -0.071 0.000 0.743 74 S N 2.073 117.681 115.700 -0.154 0.000 2.570 74 S HA 0.425 4.906 4.470 0.018 0.000 0.270 74 S C -0.796 173.742 174.600 -0.104 0.000 1.149 74 S CA -0.543 57.533 58.200 -0.206 0.000 0.837 74 S CB 1.235 64.233 63.200 -0.337 0.000 1.124 74 S HN 0.223 nan 8.310 nan 0.000 0.465 75 S N 3.361 119.015 115.700 -0.076 0.000 2.523 75 S HA 0.466 4.947 4.470 0.018 0.000 0.275 75 S C -2.422 172.160 174.600 -0.031 0.000 1.281 75 S CA -0.908 57.266 58.200 -0.043 0.000 1.050 75 S CB 0.629 63.803 63.200 -0.043 0.000 0.937 75 S HN 0.546 nan 8.310 nan 0.000 0.492 76 P HA 0.159 nan 4.420 nan 0.000 0.273 76 P C 0.537 177.773 177.300 -0.107 0.000 1.428 76 P CA -0.229 62.852 63.100 -0.032 0.000 0.995 76 P CB 0.585 32.280 31.700 -0.008 0.000 1.286 77 V N 2.900 122.683 119.914 -0.218 0.000 2.273 77 V HA -0.079 4.052 4.120 0.018 0.000 0.242 77 V C 1.280 177.002 176.094 -0.619 0.000 1.035 77 V CA 1.644 63.623 62.300 -0.536 0.000 1.013 77 V CB -0.909 30.378 31.823 -0.892 0.000 0.652 77 V HN 0.333 nan 8.190 nan 0.000 0.452 78 F N 0.265 120.160 119.950 -0.091 0.000 2.923 78 F HA 0.619 5.158 4.527 0.019 0.000 0.314 78 F C 1.145 176.979 175.800 0.057 0.000 1.196 78 F CA 0.382 58.353 58.000 -0.047 0.000 1.320 78 F CB 0.305 39.191 39.000 -0.189 0.000 0.953 78 F HN 0.313 nan 8.300 nan 0.000 0.505 79 G N 0.029 108.908 108.800 0.132 0.000 2.488 79 G HA2 -0.244 3.727 3.960 0.018 0.000 0.237 79 G HA3 -0.244 3.727 3.960 0.018 0.000 0.237 79 G C -0.211 174.770 174.900 0.134 0.000 1.209 79 G CA -0.618 44.557 45.100 0.126 0.000 0.929 79 G HN 0.108 nan 8.290 nan 0.000 0.578 80 S N 2.209 117.992 115.700 0.138 0.000 2.670 80 S HA 0.219 4.700 4.470 0.018 0.000 0.328 80 S C 0.820 175.522 174.600 0.170 0.000 1.179 80 S CA -0.069 58.208 58.200 0.127 0.000 1.194 80 S CB -0.325 62.939 63.200 0.106 0.000 1.359 80 S HN 0.671 nan 8.310 nan 0.000 0.555 81 N N 2.050 120.845 118.700 0.159 0.000 2.415 81 N HA 0.080 4.831 4.740 0.018 0.000 0.248 81 N C -0.672 174.947 175.510 0.181 0.000 1.271 81 N CA 0.063 53.234 53.050 0.200 0.000 0.913 81 N CB 0.710 39.283 38.487 0.144 0.000 1.129 81 N HN 0.211 nan 8.380 nan 0.000 0.444 82 V N 3.301 123.355 119.914 0.234 0.000 2.311 82 V HA 0.097 4.228 4.120 0.018 0.000 0.275 82 V C 0.671 176.833 176.094 0.113 0.000 1.022 82 V CA -0.586 61.773 62.300 0.098 0.000 0.830 82 V CB 1.251 32.998 31.823 -0.128 0.000 1.012 82 V HN 0.648 nan 8.190 nan 0.000 0.452 83 D N 3.222 123.649 120.400 0.045 0.000 2.144 83 D HA -0.051 4.600 4.640 0.018 0.000 0.200 83 D C 0.481 176.805 176.300 0.039 0.000 0.978 83 D CA 1.463 55.478 54.000 0.025 0.000 0.833 83 D CB 0.226 41.023 40.800 -0.005 0.000 0.961 83 D HN 0.575 nan 8.370 nan 0.000 0.470 84 N N -0.229 118.460 118.700 -0.017 0.000 2.483 84 N HA 0.326 5.077 4.740 0.018 0.000 0.267 84 N C -1.261 174.151 175.510 -0.164 0.000 0.998 84 N CA -0.285 52.728 53.050 -0.062 0.000 0.918 84 N CB 2.763 41.210 38.487 -0.066 0.000 1.215 84 N HN -0.253 nan 8.380 nan 0.000 0.500 85 V N 2.412 122.197 119.914 -0.215 0.000 2.547 85 V HA 0.442 4.573 4.120 0.018 0.000 0.299 85 V C -0.540 175.377 176.094 -0.296 0.000 1.040 85 V CA -0.819 61.238 62.300 -0.406 0.000 0.913 85 V CB 1.726 33.147 31.823 -0.670 0.000 0.992 85 V HN 0.448 nan 8.190 nan 0.000 0.449 86 L N 5.583 126.649 121.223 -0.262 0.000 2.296 86 L HA 0.640 4.991 4.340 0.018 0.000 0.286 86 L C -0.784 175.977 176.870 -0.182 0.000 1.023 86 L CA -0.244 54.487 54.840 -0.183 0.000 0.812 86 L CB 1.414 43.392 42.059 -0.135 0.000 1.223 86 L HN 0.621 nan 8.230 nan 0.000 0.421 87 L N 4.926 126.051 121.223 -0.164 0.000 2.282 87 L HA 0.658 5.010 4.340 0.018 0.000 0.288 87 L C -0.558 176.232 176.870 -0.134 0.000 1.033 87 L CA 0.469 55.231 54.840 -0.130 0.000 0.807 87 L CB 1.469 43.466 42.059 -0.104 0.000 1.209 87 L HN 0.718 nan 8.230 nan 0.000 0.423 88 T N 5.049 119.480 114.554 -0.205 0.000 2.812 88 T HA 0.836 5.197 4.350 0.018 0.000 0.282 88 T C -0.633 173.780 174.700 -0.478 0.000 0.990 88 T CA -0.331 61.594 62.100 -0.293 0.000 0.960 88 T CB 1.396 70.115 68.868 -0.249 0.000 0.948 88 T HN 0.843 nan 8.240 nan 0.000 0.438 89 A N 3.397 125.808 122.820 -0.680 0.000 2.355 89 A HA 0.778 5.109 4.320 0.018 0.000 0.317 89 A C -0.645 176.493 177.584 -0.743 0.000 1.094 89 A CA -0.823 50.684 52.037 -0.883 0.000 0.764 89 A CB 1.109 19.271 19.000 -1.396 0.000 1.230 89 A HN 0.794 nan 8.150 nan 0.000 0.448 90 E N 1.170 120.931 120.200 -0.731 0.000 2.241 90 E HA 0.313 4.674 4.350 0.018 0.000 0.263 90 E C -1.803 174.580 176.600 -0.361 0.000 0.882 90 E CA -0.447 55.679 56.400 -0.457 0.000 0.769 90 E CB 1.670 31.136 29.700 -0.390 0.000 1.185 90 E HN 0.609 nan 8.360 nan 0.000 0.415 91 Y N 2.818 123.177 120.300 0.097 0.000 2.570 91 Y HA 0.028 4.590 4.550 0.018 0.000 0.336 91 Y C 1.403 177.324 175.900 0.035 0.000 1.284 91 Y CA 0.071 58.331 58.100 0.266 0.000 1.761 91 Y CB -0.143 38.471 38.460 0.256 0.000 1.724 91 Y HN 0.532 nan 8.280 nan 0.000 0.455 92 Q N 0.660 120.418 119.800 -0.070 0.000 2.083 92 Q HA -0.044 4.308 4.340 0.018 0.000 0.198 92 Q C 0.876 176.894 176.000 0.031 0.000 0.969 92 Q CA 1.481 57.025 55.803 -0.431 0.000 0.838 92 Q CB 0.232 28.650 28.738 -0.532 0.000 0.900 92 Q HN 0.649 nan 8.270 nan 0.000 0.436 93 T N -4.996 109.668 114.554 0.183 0.000 2.787 93 T HA 0.279 4.640 4.350 0.018 0.000 0.297 93 T C 0.520 175.397 174.700 0.294 0.000 1.221 93 T CA -0.529 61.703 62.100 0.221 0.000 1.006 93 T CB 1.419 70.402 68.868 0.191 0.000 1.328 93 T HN -0.148 nan 8.240 nan 0.000 0.509 94 S N 0.510 116.336 115.700 0.208 0.000 2.442 94 S HA -0.024 4.457 4.470 0.018 0.000 0.236 94 S C 1.331 176.126 174.600 0.325 0.000 1.007 94 S CA 0.885 59.186 58.200 0.169 0.000 0.965 94 S CB -0.445 62.811 63.200 0.094 0.000 0.773 94 S HN 0.715 nan 8.310 nan 0.000 0.504 95 N N 0.242 119.155 118.700 0.356 0.000 2.177 95 N HA 0.146 4.897 4.740 0.018 0.000 0.218 95 N C 0.087 175.791 175.510 0.324 0.000 1.182 95 N CA 0.014 53.282 53.050 0.364 0.000 0.882 95 N CB 0.893 39.532 38.487 0.254 0.000 1.052 95 N HN 0.219 nan 8.380 nan 0.000 0.519 96 R N 0.770 121.457 120.500 0.312 0.000 2.514 96 R HA 0.258 4.609 4.340 0.018 0.000 0.296 96 R C -1.897 174.427 176.300 0.039 0.000 1.012 96 R CA -0.484 55.681 56.100 0.109 0.000 0.897 96 R CB 1.106 31.524 30.300 0.196 0.000 1.184 96 R HN -0.179 nan 8.270 nan 0.000 0.440 97 F N 3.628 123.320 119.950 -0.429 0.000 2.450 97 F HA 0.436 4.974 4.527 0.019 0.000 0.332 97 F C -0.977 174.647 175.800 -0.292 0.000 1.093 97 F CA -0.711 57.041 58.000 -0.413 0.000 1.003 97 F CB 1.249 39.797 39.000 -0.754 0.000 1.151 97 F HN 0.643 nan 8.300 nan 0.000 0.474 98 H N 6.210 124.528 119.070 -1.254 0.000 2.589 98 H HA 0.559 5.127 4.556 0.019 0.000 0.351 98 H C -1.736 172.770 175.328 -1.371 0.000 1.074 98 H CA -1.180 54.108 56.048 -1.267 0.000 1.203 98 H CB 1.150 30.316 29.762 -0.994 0.000 1.558 98 H HN 0.509 nan 8.280 nan 0.000 0.522 99 F N 2.592 121.704 119.950 -1.396 0.000 2.601 99 F HA 0.633 5.171 4.527 0.019 0.000 0.309 99 F C -1.645 173.681 175.800 -0.790 0.000 1.089 99 F CA -1.065 56.284 58.000 -1.085 0.000 0.940 99 F CB 1.564 40.143 39.000 -0.701 0.000 1.273 99 F HN 0.578 nan 8.300 nan 0.000 0.450 100 K N 3.176 123.261 120.400 -0.525 0.000 2.469 100 K HA 0.807 5.138 4.320 0.018 0.000 0.254 100 K C -2.208 174.324 176.600 -0.112 0.000 0.939 100 K CA -0.939 55.125 56.287 -0.371 0.000 0.812 100 K CB 2.767 35.018 32.500 -0.415 0.000 1.301 100 K HN 0.878 nan 8.250 nan 0.000 0.433 101 L N 2.341 123.559 121.223 -0.008 0.000 2.325 101 L HA 0.492 4.843 4.340 0.018 0.000 0.281 101 L C -0.394 176.577 176.870 0.168 0.000 1.004 101 L CA -0.419 54.467 54.840 0.077 0.000 0.823 101 L CB 2.081 44.267 42.059 0.211 0.000 1.236 101 L HN 1.013 nan 8.230 nan 0.000 0.415 102 T N -2.507 112.045 114.554 -0.004 0.000 2.888 102 T HA 0.374 4.735 4.350 0.018 0.000 0.288 102 T C -0.837 173.711 174.700 -0.253 0.000 1.063 102 T CA -0.888 61.209 62.100 -0.006 0.000 1.010 102 T CB 2.118 70.960 68.868 -0.044 0.000 1.214 102 T HN 0.336 nan 8.240 nan 0.000 0.533 103 D N 0.384 120.663 120.400 -0.201 0.000 2.325 103 D HA 0.130 4.781 4.640 0.018 0.000 0.251 103 D C 1.029 177.233 176.300 -0.161 0.000 1.196 103 D CA -0.078 53.760 54.000 -0.270 0.000 0.866 103 D CB 1.554 42.277 40.800 -0.128 0.000 1.101 103 D HN 0.678 nan 8.370 nan 0.000 0.476 104 Q N 1.977 121.674 119.800 -0.172 0.000 2.234 104 Q HA -0.162 4.190 4.340 0.018 0.000 0.206 104 Q C 1.410 177.366 176.000 -0.074 0.000 0.980 104 Q CA 1.668 57.403 55.803 -0.113 0.000 0.869 104 Q CB 0.275 28.948 28.738 -0.109 0.000 0.912 104 Q HN 0.652 nan 8.270 nan 0.000 0.436 105 T N -3.647 110.867 114.554 -0.066 0.000 3.022 105 T HA 0.171 4.532 4.350 0.018 0.000 0.250 105 T C -0.037 174.649 174.700 -0.023 0.000 1.060 105 T CA -0.156 61.921 62.100 -0.039 0.000 1.013 105 T CB 0.208 69.058 68.868 -0.031 0.000 0.982 105 T HN 0.099 nan 8.240 nan 0.000 0.508 106 N N 0.822 119.508 118.700 -0.023 0.000 2.235 106 N HA 0.390 5.141 4.740 0.018 0.000 0.293 106 N C -1.662 173.853 175.510 0.007 0.000 1.083 106 N CA -0.822 52.228 53.050 0.001 0.000 0.801 106 N CB 1.346 39.845 38.487 0.019 0.000 1.559 106 N HN 0.193 nan 8.380 nan 0.000 0.472 107 N N 1.031 119.738 118.700 0.013 0.000 2.492 107 N HA 0.187 4.938 4.740 0.018 0.000 0.262 107 N C -0.534 175.005 175.510 0.048 0.000 1.202 107 N CA 0.177 53.236 53.050 0.016 0.000 0.926 107 N CB 0.838 39.331 38.487 0.009 0.000 1.078 107 N HN 0.256 nan 8.380 nan 0.000 0.454 108 R N 0.941 121.475 120.500 0.056 0.000 2.912 108 R HA 0.320 4.671 4.340 0.018 0.000 0.262 108 R C -0.858 175.503 176.300 0.101 0.000 1.057 108 R CA -0.959 55.210 56.100 0.114 0.000 0.981 108 R CB 1.247 31.642 30.300 0.159 0.000 1.201 108 R HN 0.434 nan 8.270 nan 0.000 0.484 109 F N 1.900 121.875 119.950 0.040 0.000 2.578 109 F HA 0.024 4.562 4.527 0.018 0.000 0.381 109 F C -0.253 175.539 175.800 -0.013 0.000 1.069 109 F CA 0.667 58.679 58.000 0.019 0.000 1.231 109 F CB 0.459 39.489 39.000 0.049 0.000 1.086 109 F HN 0.323 nan 8.300 nan 0.000 0.564 110 E N 4.491 124.110 120.200 -0.968 0.000 2.238 110 E HA 0.360 4.721 4.350 0.018 0.000 0.267 110 E C -1.072 174.831 176.600 -1.162 0.000 0.887 110 E CA -1.264 54.664 56.400 -0.788 0.000 0.769 110 E CB 2.245 31.703 29.700 -0.402 0.000 1.187 110 E HN 0.377 nan 8.360 nan 0.000 0.416 111 V N 4.391 123.903 119.914 -0.670 0.000 2.540 111 V HA 0.043 4.174 4.120 0.018 0.000 0.297 111 V C -1.704 174.141 176.094 -0.414 0.000 1.024 111 V CA -0.717 61.319 62.300 -0.440 0.000 1.105 111 V CB 0.040 31.805 31.823 -0.097 0.000 0.938 111 V HN 0.617 nan 8.190 nan 0.000 0.482 112 P HA 0.127 nan 4.420 nan 0.000 0.219 112 P C 0.054 177.082 177.300 -0.453 0.000 1.832 112 P CA -0.268 62.453 63.100 -0.631 0.000 1.014 112 P CB -0.149 30.871 31.700 -1.134 0.000 1.939 113 H N 2.244 121.181 119.070 -0.221 0.000 2.928 113 H HA -0.021 4.546 4.556 0.019 0.000 0.338 113 H C 1.150 176.548 175.328 0.117 0.000 1.047 113 H CA 0.568 56.622 56.048 0.010 0.000 1.435 113 H CB 1.123 30.919 29.762 0.057 0.000 1.428 113 H HN 0.280 nan 8.280 nan 0.000 0.590 114 E N 3.658 123.870 120.200 0.020 0.000 2.152 114 E HA -0.184 4.177 4.350 0.018 0.000 0.192 114 E C 1.058 177.798 176.600 0.234 0.000 0.983 114 E CA 1.062 57.558 56.400 0.159 0.000 0.818 114 E CB 0.155 29.975 29.700 0.199 0.000 0.758 114 E HN 0.781 nan 8.360 nan 0.000 0.467 115 H N -0.711 118.510 119.070 0.252 0.000 2.406 115 H HA 0.193 4.760 4.556 0.019 0.000 0.304 115 H C 0.287 175.737 175.328 0.203 0.000 1.042 115 H CA 0.548 56.744 56.048 0.247 0.000 1.360 115 H CB 0.286 30.184 29.762 0.227 0.000 1.448 115 H HN -0.170 nan 8.280 nan 0.000 0.553 116 V N 3.157 123.262 119.914 0.319 0.000 2.599 116 V HA 0.033 4.164 4.120 0.018 0.000 0.300 116 V C -0.049 176.049 176.094 0.007 0.000 1.034 116 V CA 0.457 62.774 62.300 0.028 0.000 1.115 116 V CB 0.923 32.692 31.823 -0.090 0.000 0.934 116 V HN 0.488 nan 8.190 nan 0.000 0.485 117 Q N 2.362 122.139 119.800 -0.038 0.000 2.297 117 Q HA 0.528 4.879 4.340 0.018 0.000 0.269 117 Q C -0.030 175.985 176.000 0.026 0.000 1.051 117 Q CA -0.701 55.096 55.803 -0.012 0.000 0.869 117 Q CB 1.887 30.608 28.738 -0.028 0.000 1.346 117 Q HN 0.866 nan 8.270 nan 0.000 0.457 118 S N 0.174 115.892 115.700 0.030 0.000 2.579 118 S HA 0.262 4.743 4.470 0.018 0.000 0.275 118 S C -0.497 174.177 174.600 0.124 0.000 1.345 118 S CA -0.598 57.644 58.200 0.071 0.000 1.031 118 S CB 0.337 63.560 63.200 0.038 0.000 0.892 118 S HN 0.458 nan 8.310 nan 0.000 0.529 119 F N 2.385 122.335 119.950 -0.000 0.000 2.404 119 F HA 0.501 5.039 4.527 0.018 0.000 0.345 119 F C 0.810 176.616 175.800 0.010 0.000 1.110 119 F CA -0.577 57.430 58.000 0.011 0.000 1.130 119 F CB 1.403 40.424 39.000 0.034 0.000 1.129 119 F HN 0.750 nan 8.300 nan 0.000 0.500 120 S N 3.029 118.378 115.700 -0.586 0.000 2.901 120 S HA 0.467 4.948 4.470 0.018 0.000 0.248 120 S C 0.152 174.341 174.600 -0.684 0.000 1.021 120 S CA -0.301 57.614 58.200 -0.475 0.000 1.090 120 S CB -0.303 62.768 63.200 -0.215 0.000 1.039 120 S HN 0.853 nan 8.310 nan 0.000 0.514 121 G N 1.435 109.325 108.800 -1.517 0.000 2.537 121 G HA2 0.545 4.516 3.960 0.018 0.000 0.297 121 G HA3 0.545 4.516 3.960 0.018 0.000 0.297 121 G C -0.478 174.231 174.900 -0.319 0.000 1.310 121 G CA -0.739 43.823 45.100 -0.897 0.000 1.027 121 G HN 0.356 nan 8.290 nan 0.000 0.505 122 N N -0.342 118.358 118.700 -0.001 0.000 2.492 122 N HA 0.493 5.244 4.740 0.018 0.000 0.289 122 N C 0.461 176.178 175.510 0.344 0.000 1.133 122 N CA -0.204 52.942 53.050 0.160 0.000 0.961 122 N CB 1.501 40.047 38.487 0.099 0.000 1.186 122 N HN 0.683 nan 8.380 nan 0.000 0.493 123 A N 0.580 123.607 122.820 0.345 0.000 2.587 123 A HA 0.358 4.689 4.320 0.018 0.000 0.235 123 A C 0.597 178.332 177.584 0.252 0.000 1.044 123 A CA -0.082 52.178 52.037 0.372 0.000 0.754 123 A CB -0.431 18.781 19.000 0.354 0.000 0.968 123 A HN 0.735 nan 8.150 nan 0.000 0.509 124 A N 1.962 124.931 122.820 0.249 0.000 2.425 124 A HA 0.564 4.895 4.320 0.018 0.000 0.242 124 A C 0.890 178.501 177.584 0.045 0.000 1.077 124 A CA 0.256 52.386 52.037 0.155 0.000 0.781 124 A CB -0.106 18.995 19.000 0.169 0.000 1.020 124 A HN 2.204 nan 8.150 nan 0.000 0.494 125 A N 0.707 123.544 122.820 0.030 0.000 2.271 125 A HA 0.585 4.916 4.320 0.018 0.000 0.288 125 A C 0.909 178.469 177.584 -0.041 0.000 1.094 125 A CA 0.292 52.317 52.037 -0.019 0.000 0.828 125 A CB -0.267 18.733 19.000 0.001 0.000 1.091 125 A HN 2.084 nan 8.150 nan 0.000 0.493 126 S N -1.052 114.607 115.700 -0.069 0.000 3.628 126 S HA -0.127 4.355 4.470 0.018 0.000 0.373 126 S C 0.048 174.587 174.600 -0.101 0.000 0.968 126 S CA 0.662 58.820 58.200 -0.069 0.000 1.215 126 S CB -2.031 61.153 63.200 -0.027 0.000 0.912 126 S HN 0.597 nan 8.310 nan 0.000 0.495 127 L N 1.173 122.273 121.223 -0.205 0.000 2.490 127 L HA 0.125 4.476 4.340 0.018 0.000 0.274 127 L C 1.944 178.659 176.870 -0.258 0.000 1.201 127 L CA 0.485 55.111 54.840 -0.358 0.000 0.869 127 L CB 0.245 41.876 42.059 -0.713 0.000 1.123 127 L HN 0.571 nan 8.230 nan 0.000 0.484 128 T N -1.593 112.878 114.554 -0.139 0.000 3.100 128 T HA 0.057 4.419 4.350 0.018 0.000 0.253 128 T C 0.072 174.800 174.700 0.046 0.000 1.118 128 T CA 0.122 62.227 62.100 0.008 0.000 1.058 128 T CB -0.287 68.659 68.868 0.131 0.000 0.953 128 T HN 0.515 nan 8.240 nan 0.000 0.515 129 Y N -0.715 119.577 120.300 -0.013 0.000 2.633 129 Y HA 0.790 5.352 4.550 0.019 0.000 0.339 129 Y C -0.529 175.322 175.900 -0.083 0.000 1.045 129 Y CA -1.828 56.243 58.100 -0.049 0.000 1.098 129 Y CB 1.376 39.810 38.460 -0.043 0.000 1.296 129 Y HN 0.030 nan 8.280 nan 0.000 0.494 130 Q N 1.165 120.993 119.800 0.047 0.000 2.372 130 Q HA 0.726 5.077 4.340 0.018 0.000 0.273 130 Q C -2.165 173.834 176.000 -0.003 0.000 1.078 130 Q CA -1.075 54.709 55.803 -0.033 0.000 0.806 130 Q CB 2.929 31.625 28.738 -0.069 0.000 1.332 130 Q HN 0.778 nan 8.270 nan 0.000 0.435 131 V N 2.763 122.673 119.914 -0.007 0.000 2.459 131 V HA 0.451 4.582 4.120 0.018 0.000 0.295 131 V C -1.053 175.006 176.094 -0.059 0.000 1.029 131 V CA -0.657 61.583 62.300 -0.099 0.000 0.874 131 V CB 1.742 33.465 31.823 -0.167 0.000 0.985 131 V HN 0.778 nan 8.190 nan 0.000 0.438 132 E N 4.521 124.666 120.200 -0.092 0.000 2.210 132 E HA 0.629 4.990 4.350 0.018 0.000 0.266 132 E C -1.163 175.372 176.600 -0.108 0.000 0.883 132 E CA -0.471 55.871 56.400 -0.096 0.000 0.761 132 E CB 2.075 31.722 29.700 -0.089 0.000 1.156 132 E HN 0.361 nan 8.360 nan 0.000 0.412 133 I N 1.922 122.425 120.570 -0.112 0.000 2.406 133 I HA 0.374 4.555 4.170 0.018 0.000 0.290 133 I C -0.203 175.871 176.117 -0.071 0.000 0.999 133 I CA -0.641 60.609 61.300 -0.083 0.000 1.124 133 I CB 1.526 39.513 38.000 -0.022 0.000 1.289 133 I HN 0.359 nan 8.210 nan 0.000 0.441 134 S N 5.848 121.490 115.700 -0.095 0.000 2.565 134 S HA 0.496 4.977 4.470 0.018 0.000 0.290 134 S C 0.979 175.609 174.600 0.049 0.000 1.150 134 S CA -0.725 57.449 58.200 -0.044 0.000 1.058 134 S CB 1.838 64.992 63.200 -0.077 0.000 1.032 134 S HN 0.648 nan 8.310 nan 0.000 0.510 135 R N 0.846 121.399 120.500 0.089 0.000 2.250 135 R HA 0.269 4.620 4.340 0.018 0.000 0.194 135 R C -0.397 176.026 176.300 0.204 0.000 0.927 135 R CA 0.009 56.214 56.100 0.175 0.000 1.052 135 R CB 0.153 30.535 30.300 0.136 0.000 1.055 135 R HN 0.349 nan 8.270 nan 0.000 0.537 136 Q N 1.973 121.852 119.800 0.132 0.000 3.090 136 Q HA 0.377 4.728 4.340 0.018 0.000 0.241 136 Q C -2.454 173.597 176.000 0.085 0.000 0.958 136 Q CA -1.472 54.402 55.803 0.118 0.000 0.715 136 Q CB 1.852 30.624 28.738 0.057 0.000 1.298 136 Q HN 0.209 nan 8.270 nan 0.000 0.468 137 P HA 0.356 nan 4.420 nan 0.000 0.281 137 P C -0.429 176.993 177.300 0.204 0.000 1.281 137 P CA -0.715 62.500 63.100 0.192 0.000 0.811 137 P CB 0.936 32.744 31.700 0.180 0.000 1.154 138 F N 1.466 121.503 119.950 0.145 0.000 2.578 138 F HA 0.307 4.845 4.527 0.018 0.000 0.376 138 F C 0.097 175.949 175.800 0.085 0.000 1.085 138 F CA 0.739 58.806 58.000 0.112 0.000 1.260 138 F CB 0.362 39.440 39.000 0.131 0.000 1.095 138 F HN 0.464 nan 8.300 nan 0.000 0.573 139 S N 6.805 121.943 115.700 -0.937 0.000 2.570 139 S HA 0.634 5.115 4.470 0.018 0.000 0.270 139 S C -1.269 172.733 174.600 -0.996 0.000 1.149 139 S CA -1.033 56.544 58.200 -1.038 0.000 0.837 139 S CB 1.614 64.576 63.200 -0.398 0.000 1.124 139 S HN 0.927 nan 8.310 nan 0.000 0.465 140 I N 0.857 121.010 120.570 -0.695 0.000 2.545 140 I HA 0.714 4.895 4.170 0.018 0.000 0.292 140 I C -1.138 174.885 176.117 -0.156 0.000 1.040 140 I CA -0.593 60.477 61.300 -0.383 0.000 1.068 140 I CB 1.728 39.480 38.000 -0.413 0.000 1.251 140 I HN 0.914 nan 8.210 nan 0.000 0.424 141 K N 6.191 126.514 120.400 -0.128 0.000 2.422 141 K HA 0.713 5.044 4.320 0.018 0.000 0.251 141 K C -2.071 174.475 176.600 -0.089 0.000 0.933 141 K CA -0.640 55.616 56.287 -0.052 0.000 0.798 141 K CB 2.243 34.693 32.500 -0.084 0.000 1.238 141 K HN 0.439 nan 8.250 nan 0.000 0.428 142 V N 3.150 123.036 119.914 -0.046 0.000 2.483 142 V HA 0.413 4.544 4.120 0.018 0.000 0.297 142 V C -0.447 175.589 176.094 -0.096 0.000 1.027 142 V CA -0.696 61.532 62.300 -0.120 0.000 0.855 142 V CB 1.578 33.303 31.823 -0.164 0.000 0.995 142 V HN 0.995 nan 8.190 nan 0.000 0.424 143 T N 1.804 116.316 114.554 -0.070 0.000 2.912 143 T HA 0.631 4.992 4.350 0.018 0.000 0.288 143 T C -0.326 174.358 174.700 -0.026 0.000 1.030 143 T CA -0.875 61.183 62.100 -0.070 0.000 1.020 143 T CB 1.890 70.723 68.868 -0.058 0.000 1.056 143 T HN 0.617 nan 8.240 nan 0.000 0.480 144 R N 1.250 121.725 120.500 -0.040 0.000 2.298 144 R HA 0.320 4.671 4.340 0.018 0.000 0.310 144 R C 1.497 177.794 176.300 -0.005 0.000 1.068 144 R CA -0.544 55.556 56.100 0.000 0.000 0.957 144 R CB 0.471 30.765 30.300 -0.011 0.000 1.003 144 R HN 0.825 nan 8.270 nan 0.000 0.454 145 R N 1.548 122.047 120.500 -0.001 0.000 2.066 145 R HA -0.143 4.208 4.340 0.018 0.000 0.232 145 R C 2.117 178.406 176.300 -0.018 0.000 1.131 145 R CA 2.146 58.230 56.100 -0.027 0.000 0.955 145 R CB -0.080 30.189 30.300 -0.052 0.000 0.851 145 R HN 0.853 nan 8.270 nan 0.000 0.432 146 S N 1.152 116.849 115.700 -0.006 0.000 2.387 146 S HA -0.178 4.303 4.470 0.018 0.000 0.230 146 S C 1.217 175.818 174.600 0.001 0.000 1.035 146 S CA 1.626 59.826 58.200 0.000 0.000 1.014 146 S CB -0.301 62.907 63.200 0.012 0.000 0.836 146 S HN 0.594 nan 8.310 nan 0.000 0.466 147 N N 0.067 118.766 118.700 -0.000 0.000 2.143 147 N HA 0.147 4.898 4.740 0.018 0.000 0.229 147 N C -0.207 175.298 175.510 -0.009 0.000 1.294 147 N CA 0.171 53.222 53.050 0.001 0.000 0.883 147 N CB -1.441 37.053 38.487 0.010 0.000 1.148 147 N HN 0.603 nan 8.380 nan 0.000 0.511 148 N N -0.117 118.573 118.700 -0.018 0.000 2.693 148 N HA -0.275 4.476 4.740 0.018 0.000 0.249 148 N C -0.702 174.787 175.510 -0.035 0.000 1.119 148 N CA 0.360 53.393 53.050 -0.028 0.000 0.717 148 N CB -0.700 37.771 38.487 -0.027 0.000 1.071 148 N HN 0.359 nan 8.380 nan 0.000 0.555 149 R N 1.064 121.543 120.500 -0.035 0.000 2.449 149 R HA 0.219 4.571 4.340 0.018 0.000 0.296 149 R C -0.487 175.761 176.300 -0.086 0.000 1.047 149 R CA -0.014 56.057 56.100 -0.048 0.000 1.018 149 R CB 0.629 30.905 30.300 -0.040 0.000 0.962 149 R HN 0.010 nan 8.270 nan 0.000 0.428 150 V N 8.021 127.883 119.914 -0.087 0.000 2.470 150 V HA 0.033 4.164 4.120 0.018 0.000 0.276 150 V C 1.191 177.174 176.094 -0.185 0.000 1.040 150 V CA 0.097 62.329 62.300 -0.114 0.000 1.008 150 V CB 0.768 32.538 31.823 -0.088 0.000 0.990 150 V HN 0.804 nan 8.190 nan 0.000 0.477 151 L N 4.247 125.295 121.223 -0.291 0.000 2.356 151 L HA 0.350 4.701 4.340 0.018 0.000 0.193 151 L C 0.558 177.212 176.870 -0.360 0.000 1.087 151 L CA 0.708 55.158 54.840 -0.651 0.000 0.817 151 L CB 0.073 41.484 42.059 -1.079 0.000 1.035 151 L HN 0.480 nan 8.230 nan 0.000 0.482 152 F N 1.001 120.770 119.950 -0.302 0.000 2.458 152 F HA 0.404 4.942 4.527 0.018 0.000 0.336 152 F C -0.860 174.863 175.800 -0.129 0.000 1.114 152 F CA -0.680 57.255 58.000 -0.108 0.000 0.987 152 F CB 1.249 40.215 39.000 -0.057 0.000 1.130 152 F HN -0.117 nan 8.300 nan 0.000 0.458 153 D N 2.888 123.122 120.400 -0.277 0.000 2.365 153 D HA 0.101 4.752 4.640 0.018 0.000 0.235 153 D C 0.094 176.243 176.300 -0.252 0.000 1.368 153 D CA -0.139 53.770 54.000 -0.152 0.000 1.001 153 D CB 1.356 42.078 40.800 -0.130 0.000 1.364 153 D HN 0.426 nan 8.370 nan 0.000 0.577 154 S N 1.439 117.038 115.700 -0.168 0.000 2.561 154 S HA -0.103 4.378 4.470 0.018 0.000 0.225 154 S C 1.681 176.210 174.600 -0.118 0.000 0.977 154 S CA 0.827 58.936 58.200 -0.151 0.000 0.926 154 S CB -0.301 62.887 63.200 -0.020 0.000 0.769 154 S HN 0.361 nan 8.310 nan 0.000 0.533 155 S N 1.396 117.021 115.700 -0.125 0.000 2.507 155 S HA 0.060 4.541 4.470 0.018 0.000 0.235 155 S C 1.555 176.131 174.600 -0.039 0.000 0.988 155 S CA 0.520 58.669 58.200 -0.086 0.000 0.944 155 S CB -0.858 62.290 63.200 -0.086 0.000 0.762 155 S HN 0.636 nan 8.310 nan 0.000 0.526 156 I N 1.319 121.858 120.570 -0.051 0.000 2.454 156 I HA 0.092 4.273 4.170 0.018 0.000 0.254 156 I C 1.105 177.241 176.117 0.032 0.000 1.156 156 I CA 0.914 62.203 61.300 -0.017 0.000 1.433 156 I CB -0.415 37.555 38.000 -0.050 0.000 1.082 156 I HN 0.517 nan 8.210 nan 0.000 0.432 157 G N -0.037 108.776 108.800 0.021 0.000 2.725 157 G HA2 0.507 4.478 3.960 0.018 0.000 0.288 157 G HA3 0.507 4.478 3.960 0.018 0.000 0.288 157 G C -2.885 172.026 174.900 0.018 0.000 1.399 157 G CA -0.814 44.310 45.100 0.040 0.000 0.859 157 G HN -0.105 nan 8.290 nan 0.000 0.479 158 P HA 0.367 nan 4.420 nan 0.000 0.274 158 P C -0.837 176.524 177.300 0.102 0.000 1.256 158 P CA -0.491 62.615 63.100 0.010 0.000 0.795 158 P CB 1.494 33.084 31.700 -0.183 0.000 1.038 159 L N 1.150 122.536 121.223 0.271 0.000 2.275 159 L HA 0.409 4.760 4.340 0.018 0.000 0.288 159 L C -0.957 176.143 176.870 0.383 0.000 1.046 159 L CA -0.269 54.760 54.840 0.315 0.000 0.805 159 L CB -0.029 42.248 42.059 0.364 0.000 1.193 159 L HN 0.178 nan 8.230 nan 0.000 0.426 160 L N 6.116 127.520 121.223 0.302 0.000 2.346 160 L HA 0.521 4.872 4.340 0.018 0.000 0.276 160 L C -1.009 176.100 176.870 0.398 0.000 1.006 160 L CA -0.375 54.710 54.840 0.408 0.000 0.817 160 L CB 1.679 43.975 42.059 0.395 0.000 1.272 160 L HN 0.669 nan 8.230 nan 0.000 0.421 161 F N 2.964 123.122 119.950 0.346 0.000 3.167 161 F HA 0.621 5.159 4.527 0.019 0.000 0.389 161 F C -0.214 175.745 175.800 0.265 0.000 1.233 161 F CA -0.448 57.686 58.000 0.223 0.000 1.238 161 F CB 0.805 39.842 39.000 0.062 0.000 1.971 161 F HN 0.549 nan 8.300 nan 0.000 0.651 162 A N 2.336 125.461 122.820 0.510 0.000 2.313 162 A HA 0.345 4.676 4.320 0.018 0.000 0.323 162 A C 0.639 178.443 177.584 0.367 0.000 1.133 162 A CA -0.343 51.950 52.037 0.426 0.000 0.847 162 A CB 1.015 20.247 19.000 0.387 0.000 1.308 162 A HN 0.653 nan 8.150 nan 0.000 0.475 163 D N -0.560 120.019 120.400 0.299 0.000 2.149 163 D HA -0.139 4.512 4.640 0.018 0.000 0.198 163 D C 1.067 177.501 176.300 0.224 0.000 0.990 163 D CA 1.941 56.090 54.000 0.249 0.000 0.839 163 D CB 0.213 41.121 40.800 0.181 0.000 0.948 163 D HN 0.566 nan 8.370 nan 0.000 0.460 164 Q N -1.455 118.499 119.800 0.257 0.000 2.141 164 Q HA 0.202 4.553 4.340 0.018 0.000 0.248 164 Q C -0.960 175.246 176.000 0.344 0.000 0.834 164 Q CA -0.334 55.639 55.803 0.282 0.000 1.096 164 Q CB 1.094 29.992 28.738 0.268 0.000 1.189 164 Q HN 0.187 nan 8.270 nan 0.000 0.471 165 F N 1.136 121.155 119.950 0.116 0.000 2.991 165 F HA 0.357 4.895 4.527 0.019 0.000 0.355 165 F C -2.216 173.588 175.800 0.006 0.000 1.262 165 F CA -0.841 57.189 58.000 0.050 0.000 1.127 165 F CB 0.999 40.059 39.000 0.101 0.000 1.447 165 F HN -0.163 nan 8.300 nan 0.000 0.584 166 L N 5.333 126.294 121.223 -0.437 0.000 2.362 166 L HA 0.657 5.008 4.340 0.018 0.000 0.275 166 L C -0.771 175.836 176.870 -0.439 0.000 0.998 166 L CA -0.426 54.176 54.840 -0.397 0.000 0.820 166 L CB 2.075 43.822 42.059 -0.520 0.000 1.270 166 L HN 0.637 nan 8.230 nan 0.000 0.415 167 Q N 2.845 122.520 119.800 -0.208 0.000 2.309 167 Q HA 0.781 5.132 4.340 0.018 0.000 0.273 167 Q C -2.148 173.902 176.000 0.084 0.000 1.040 167 Q CA -0.719 55.023 55.803 -0.101 0.000 0.834 167 Q CB 2.793 31.456 28.738 -0.126 0.000 1.345 167 Q HN 0.574 nan 8.270 nan 0.000 0.414 168 L N 1.439 122.769 121.223 0.178 0.000 2.466 168 L HA 0.647 4.998 4.340 0.018 0.000 0.258 168 L C -1.483 175.493 176.870 0.176 0.000 0.973 168 L CA -0.052 54.919 54.840 0.219 0.000 0.826 168 L CB 2.726 45.002 42.059 0.362 0.000 1.372 168 L HN 0.699 nan 8.230 nan 0.000 0.409 169 S N 0.860 116.599 115.700 0.065 0.000 2.664 169 S HA 0.856 5.337 4.470 0.018 0.000 0.304 169 S C -0.858 173.613 174.600 -0.215 0.000 1.099 169 S CA -0.540 57.639 58.200 -0.035 0.000 1.003 169 S CB 1.849 65.027 63.200 -0.036 0.000 1.092 169 S HN 0.723 nan 8.310 nan 0.000 0.525 170 T N 1.007 115.370 114.554 -0.318 0.000 2.952 170 T HA 0.406 4.767 4.350 0.018 0.000 0.305 170 T C -0.719 173.793 174.700 -0.313 0.000 1.064 170 T CA -0.783 60.995 62.100 -0.537 0.000 1.008 170 T CB 0.628 68.805 68.868 -1.152 0.000 1.078 170 T HN 0.549 nan 8.240 nan 0.000 0.459 171 R N 2.565 122.911 120.500 -0.257 0.000 2.811 171 R HA 0.477 4.828 4.340 0.018 0.000 0.265 171 R C -0.326 175.900 176.300 -0.124 0.000 1.026 171 R CA -0.137 55.860 56.100 -0.171 0.000 1.142 171 R CB 0.319 30.538 30.300 -0.134 0.000 1.027 171 R HN 0.502 nan 8.270 nan 0.000 0.465 172 L N 2.120 123.296 121.223 -0.078 0.000 2.370 172 L HA 0.345 4.696 4.340 0.018 0.000 0.266 172 L C -1.599 175.281 176.870 0.017 0.000 1.002 172 L CA -1.980 52.876 54.840 0.027 0.000 0.818 172 L CB 2.667 44.706 42.059 -0.034 0.000 1.325 172 L HN 0.496 nan 8.230 nan 0.000 0.418 173 P HA 0.011 nan 4.420 nan 0.000 0.245 173 P C -0.026 177.291 177.300 0.028 0.000 1.206 173 P CA 0.458 63.583 63.100 0.043 0.000 0.781 173 P CB 0.566 32.303 31.700 0.062 0.000 0.994 174 S N -1.906 113.802 115.700 0.014 0.000 2.636 174 S HA 0.341 4.822 4.470 0.018 0.000 0.268 174 S C 0.343 174.890 174.600 -0.089 0.000 1.159 174 S CA -0.138 58.045 58.200 -0.030 0.000 0.815 174 S CB 0.700 63.872 63.200 -0.046 0.000 1.130 174 S HN -0.041 nan 8.310 nan 0.000 0.471 175 T N -1.082 113.414 114.554 -0.096 0.000 3.163 175 T HA 0.295 4.656 4.350 0.018 0.000 0.252 175 T C -0.168 174.404 174.700 -0.214 0.000 1.056 175 T CA -0.401 61.609 62.100 -0.150 0.000 0.947 175 T CB -0.860 67.949 68.868 -0.099 0.000 1.016 175 T HN 0.501 nan 8.240 nan 0.000 0.554 176 N N 2.212 120.769 118.700 -0.238 0.000 2.868 176 N HA 0.346 5.097 4.740 0.018 0.000 0.252 176 N C -1.143 173.988 175.510 -0.631 0.000 1.130 176 N CA -0.078 52.749 53.050 -0.371 0.000 1.026 176 N CB 1.308 39.631 38.487 -0.273 0.000 1.335 176 N HN 0.229 nan 8.380 nan 0.000 0.516 177 V N 2.744 122.106 119.914 -0.919 0.000 2.487 177 V HA 0.457 4.588 4.120 0.018 0.000 0.298 177 V C -0.989 174.525 176.094 -0.968 0.000 1.028 177 V CA -0.667 61.191 62.300 -0.736 0.000 0.860 177 V CB 0.988 32.477 31.823 -0.556 0.000 0.991 177 V HN 0.338 nan 8.190 nan 0.000 0.427 178 Y N 2.285 122.480 120.300 -0.175 0.000 2.457 178 Y HA 0.878 5.439 4.550 0.018 0.000 0.343 178 Y C 0.615 176.446 175.900 -0.115 0.000 0.994 178 Y CA 0.158 58.079 58.100 -0.298 0.000 1.031 178 Y CB 2.403 40.591 38.460 -0.453 0.000 1.246 178 Y HN 0.985 nan 8.280 nan 0.000 0.449 179 G N 1.038 109.918 108.800 0.133 0.000 2.280 179 G HA2 0.227 4.198 3.960 0.018 0.000 0.277 179 G HA3 0.227 4.198 3.960 0.018 0.000 0.277 179 G C -1.507 173.631 174.900 0.396 0.000 1.288 179 G CA -0.628 44.636 45.100 0.274 0.000 1.075 179 G HN 1.001 nan 8.290 nan 0.000 0.480 180 L N -1.748 119.753 121.223 0.463 0.000 0.586 180 L HA 0.232 4.583 4.340 0.018 0.000 0.356 180 L C 0.710 177.801 176.870 0.369 0.000 1.004 180 L CA 0.777 55.796 54.840 0.297 0.000 1.223 180 L CB -1.046 41.075 42.059 0.104 0.000 0.012 180 L HN 2.674 nan 8.230 nan 0.000 0.092 181 G N 0.907 109.682 108.800 -0.041 0.000 2.349 181 G HA2 0.452 4.423 3.960 0.018 0.000 0.294 181 G HA3 0.452 4.423 3.960 0.018 0.000 0.294 181 G C -1.969 172.614 174.900 -0.527 0.000 1.380 181 G CA -0.341 44.532 45.100 -0.377 0.000 0.811 181 G HN 0.782 nan 8.290 nan 0.000 0.519 182 E N 0.247 120.174 120.200 -0.454 0.000 2.167 182 E HA 0.545 4.906 4.350 0.018 0.000 0.284 182 E C -0.615 175.681 176.600 -0.507 0.000 1.016 182 E CA -0.587 55.644 56.400 -0.281 0.000 0.817 182 E CB 0.368 30.135 29.700 0.112 0.000 1.080 182 E HN 0.518 nan 8.360 nan 0.000 0.397 183 H N 1.583 120.598 119.070 -0.093 0.000 2.977 183 H HA 0.294 4.861 4.556 0.019 0.000 0.350 183 H C -0.974 174.170 175.328 -0.305 0.000 1.238 183 H CA -0.837 55.094 56.048 -0.196 0.000 1.124 183 H CB 1.360 30.914 29.762 -0.347 0.000 1.866 183 H HN 0.197 nan 8.280 nan 0.000 0.550 184 V N 2.061 121.956 119.914 -0.032 0.000 2.320 184 V HA 0.067 4.198 4.120 0.018 0.000 0.265 184 V C 0.638 176.633 176.094 -0.165 0.000 1.048 184 V CA -0.003 62.220 62.300 -0.127 0.000 0.865 184 V CB -0.129 31.623 31.823 -0.118 0.000 1.043 184 V HN 0.741 nan 8.190 nan 0.000 0.474 185 H N 2.702 121.692 119.070 -0.133 0.000 2.544 185 H HA 0.020 4.587 4.556 0.019 0.000 0.269 185 H C 1.468 176.708 175.328 -0.147 0.000 0.970 185 H CA 0.598 56.512 56.048 -0.223 0.000 1.219 185 H CB 0.318 29.811 29.762 -0.449 0.000 1.421 185 H HN 0.770 nan 8.280 nan 0.000 0.555 186 Q N -1.408 118.320 119.800 -0.120 0.000 2.858 186 Q HA -0.272 4.079 4.340 0.018 0.000 0.191 186 Q C 0.023 176.071 176.000 0.079 0.000 2.796 186 Q CA 1.621 57.342 55.803 -0.136 0.000 0.359 186 Q CB -0.871 27.720 28.738 -0.244 0.000 0.330 186 Q HN 0.390 nan 8.270 nan 0.000 0.511 187 Q N -0.980 118.786 119.800 -0.056 0.000 2.204 187 Q HA 0.396 4.747 4.340 0.018 0.000 0.254 187 Q C 0.130 176.081 176.000 -0.082 0.000 0.981 187 Q CA -0.129 55.508 55.803 -0.275 0.000 0.897 187 Q CB 0.565 29.127 28.738 -0.294 0.000 1.273 187 Q HN 0.279 nan 8.270 nan 0.000 0.464 188 Y N 0.421 120.631 120.300 -0.150 0.000 2.301 188 Y HA 0.214 4.775 4.550 0.019 0.000 0.295 188 Y C 0.347 176.258 175.900 0.019 0.000 1.126 188 Y CA 0.688 58.808 58.100 0.033 0.000 1.154 188 Y CB 0.530 39.105 38.460 0.192 0.000 1.075 188 Y HN 0.447 nan 8.280 nan 0.000 0.534 189 R N 1.318 121.785 120.500 -0.054 0.000 2.389 189 R HA 0.087 4.438 4.340 0.018 0.000 0.295 189 R C -1.231 174.828 176.300 -0.402 0.000 1.075 189 R CA -0.239 55.675 56.100 -0.310 0.000 1.005 189 R CB 0.047 30.316 30.300 -0.051 0.000 0.987 189 R HN 0.309 nan 8.270 nan 0.000 0.452 190 H N 2.745 121.524 119.070 -0.485 0.000 2.819 190 H HA -0.032 4.535 4.556 0.018 0.000 0.303 190 H C 0.559 175.714 175.328 -0.289 0.000 1.058 190 H CA 0.085 55.914 56.048 -0.366 0.000 1.471 190 H CB 1.105 30.593 29.762 -0.457 0.000 1.480 190 H HN 0.683 nan 8.280 nan 0.000 0.517 191 D N 3.884 124.232 120.400 -0.086 0.000 2.264 191 D HA -0.173 4.478 4.640 0.018 0.000 0.208 191 D C 0.587 176.818 176.300 -0.114 0.000 0.966 191 D CA 0.523 54.473 54.000 -0.083 0.000 0.864 191 D CB 0.176 40.948 40.800 -0.047 0.000 0.933 191 D HN 0.520 nan 8.370 nan 0.000 0.499 192 M N -0.785 118.737 119.600 -0.130 0.000 3.008 192 M HA -0.194 4.297 4.480 0.018 0.000 0.213 192 M C -0.183 175.955 176.300 -0.270 0.000 0.575 192 M CA 0.094 55.263 55.300 -0.217 0.000 0.809 192 M CB -3.104 29.343 32.600 -0.255 0.000 2.887 192 M HN 0.306 nan 8.290 nan 0.000 0.325 193 N N -0.386 118.210 118.700 -0.173 0.000 2.416 193 N HA 0.086 4.837 4.740 0.018 0.000 0.246 193 N C -0.392 175.025 175.510 -0.156 0.000 1.260 193 N CA -0.235 52.715 53.050 -0.165 0.000 0.897 193 N CB 0.435 38.910 38.487 -0.021 0.000 1.110 193 N HN 0.241 nan 8.380 nan 0.000 0.439 194 W N 2.857 124.106 121.300 -0.085 0.000 2.676 194 W HA -0.013 4.658 4.660 0.018 0.000 0.359 194 W C 0.463 176.898 176.519 -0.139 0.000 1.291 194 W CA 0.187 57.469 57.345 -0.106 0.000 1.279 194 W CB -0.031 29.370 29.460 -0.099 0.000 1.336 194 W HN 0.078 nan 8.180 nan 0.000 0.584 195 K N 2.184 122.580 120.400 -0.007 0.000 2.543 195 K HA 0.391 4.722 4.320 0.018 0.000 0.255 195 K C -0.921 175.520 176.600 -0.266 0.000 0.934 195 K CA -0.769 55.406 56.287 -0.187 0.000 0.810 195 K CB 1.954 34.347 32.500 -0.178 0.000 1.315 195 K HN 0.107 nan 8.250 nan 0.000 0.433 196 T N 2.518 116.832 114.554 -0.400 0.000 2.792 196 T HA 0.502 4.863 4.350 0.018 0.000 0.280 196 T C -0.901 173.484 174.700 -0.524 0.000 0.990 196 T CA -0.388 61.528 62.100 -0.307 0.000 0.960 196 T CB 0.535 69.313 68.868 -0.149 0.000 0.939 196 T HN 0.330 nan 8.240 nan 0.000 0.439 197 W N 5.743 126.955 121.300 -0.147 0.000 2.362 197 W HA 0.382 5.053 4.660 0.018 0.000 0.316 197 W C -2.320 174.157 176.519 -0.069 0.000 1.024 197 W CA -2.286 54.915 57.345 -0.241 0.000 1.270 197 W CB 1.194 30.412 29.460 -0.402 0.000 1.273 197 W HN 0.379 nan 8.180 nan 0.000 0.424 198 P HA 0.382 nan 4.420 nan 0.000 0.282 198 P C -0.591 176.956 177.300 0.412 0.000 1.249 198 P CA -0.064 63.172 63.100 0.226 0.000 0.806 198 P CB 1.948 33.721 31.700 0.121 0.000 0.984 199 I N 3.126 123.889 120.570 0.322 0.000 2.468 199 I HA 0.436 4.617 4.170 0.018 0.000 0.284 199 I C -0.948 175.374 176.117 0.342 0.000 1.038 199 I CA -0.519 60.966 61.300 0.309 0.000 1.083 199 I CB 1.164 39.316 38.000 0.253 0.000 1.223 199 I HN 0.237 nan 8.210 nan 0.000 0.443 200 F N 5.874 125.887 119.950 0.105 0.000 2.925 200 F HA 0.322 4.860 4.527 0.019 0.000 0.347 200 F C -0.889 175.000 175.800 0.148 0.000 1.187 200 F CA -0.865 57.191 58.000 0.094 0.000 1.189 200 F CB 0.887 39.879 39.000 -0.014 0.000 1.479 200 F HN 0.318 nan 8.300 nan 0.000 0.645 201 N N 4.390 122.983 118.700 -0.179 0.000 2.365 201 N HA 0.227 4.978 4.740 0.018 0.000 0.265 201 N C -0.505 175.006 175.510 0.001 0.000 1.288 201 N CA 0.353 53.370 53.050 -0.055 0.000 0.869 201 N CB 0.475 38.894 38.487 -0.113 0.000 1.071 201 N HN 0.592 nan 8.380 nan 0.000 0.480 202 R N 1.262 121.774 120.500 0.020 0.000 2.548 202 R HA 0.194 4.546 4.340 0.018 0.000 0.280 202 R C -1.752 174.547 176.300 -0.001 0.000 1.061 202 R CA -0.744 55.380 56.100 0.040 0.000 0.915 202 R CB 0.808 31.145 30.300 0.062 0.000 1.210 202 R HN 0.323 nan 8.270 nan 0.000 0.442 203 D N 2.308 122.776 120.400 0.114 0.000 2.348 203 D HA 0.249 4.900 4.640 0.018 0.000 0.259 203 D C -1.117 175.242 176.300 0.097 0.000 1.296 203 D CA 0.965 55.091 54.000 0.210 0.000 0.931 203 D CB 0.530 41.480 40.800 0.250 0.000 1.067 203 D HN 0.501 nan 8.370 nan 0.000 0.503 204 T N 1.673 116.192 114.554 -0.058 0.000 2.802 204 T HA 0.312 4.674 4.350 0.018 0.000 0.311 204 T C -0.786 173.911 174.700 -0.005 0.000 1.405 204 T CA -0.611 61.485 62.100 -0.007 0.000 1.016 204 T CB 1.089 69.944 68.868 -0.023 0.000 1.352 204 T HN 0.133 nan 8.240 nan 0.000 0.498 205 T N 5.047 119.665 114.554 0.106 0.000 2.870 205 T HA 0.352 4.713 4.350 0.018 0.000 0.300 205 T C -2.483 172.298 174.700 0.136 0.000 0.989 205 T CA -0.556 61.651 62.100 0.178 0.000 1.139 205 T CB 0.675 69.667 68.868 0.207 0.000 0.920 205 T HN 0.332 nan 8.240 nan 0.000 0.537 206 P HA 0.196 nan 4.420 nan 0.000 0.271 206 P C -0.497 176.956 177.300 0.255 0.000 1.380 206 P CA -0.399 62.811 63.100 0.183 0.000 0.992 206 P CB 0.032 31.879 31.700 0.245 0.000 1.230 207 N N 0.858 119.673 118.700 0.192 0.000 3.294 207 N HA 0.382 5.133 4.740 0.018 0.000 0.355 207 N C 1.080 176.603 175.510 0.023 0.000 1.497 207 N CA -0.880 52.333 53.050 0.273 0.000 0.707 207 N CB -0.334 38.307 38.487 0.256 0.000 1.732 207 N HN 0.033 nan 8.380 nan 0.000 0.640 208 G N -1.341 107.502 108.800 0.072 0.000 3.026 208 G HA2 -0.078 3.893 3.960 0.018 0.000 0.208 208 G HA3 -0.078 3.893 3.960 0.018 0.000 0.208 208 G C 0.279 175.137 174.900 -0.071 0.000 1.169 208 G CA -0.068 44.924 45.100 -0.180 0.000 0.788 208 G HN 0.533 nan 8.290 nan 0.000 0.533 209 N N 0.894 119.591 118.700 -0.006 0.000 2.412 209 N HA 0.031 4.782 4.740 0.018 0.000 0.184 209 N C 1.763 177.259 175.510 -0.023 0.000 1.101 209 N CA 0.808 53.856 53.050 -0.003 0.000 0.881 209 N CB 0.219 38.721 38.487 0.025 0.000 0.969 209 N HN 0.346 nan 8.380 nan 0.000 0.459 210 G N 1.527 110.343 108.800 0.026 0.000 2.221 210 G HA2 -0.305 3.666 3.960 0.018 0.000 0.265 210 G HA3 -0.305 3.666 3.960 0.018 0.000 0.265 210 G C 0.437 175.420 174.900 0.139 0.000 1.041 210 G CA 0.975 46.159 45.100 0.139 0.000 0.807 210 G HN 0.519 nan 8.290 nan 0.000 0.502 211 T N -1.043 113.591 114.554 0.132 0.000 2.788 211 T HA 0.470 4.831 4.350 0.018 0.000 0.287 211 T C 0.884 175.753 174.700 0.280 0.000 1.007 211 T CA -0.011 62.171 62.100 0.137 0.000 1.005 211 T CB 0.890 69.802 68.868 0.073 0.000 1.012 211 T HN 0.738 nan 8.240 nan 0.000 0.530 212 N N 1.743 120.592 118.700 0.249 0.000 2.454 212 N HA 0.158 4.910 4.740 0.018 0.000 0.254 212 N C -0.242 175.313 175.510 0.075 0.000 1.228 212 N CA -0.238 52.967 53.050 0.257 0.000 0.900 212 N CB 0.524 39.150 38.487 0.230 0.000 1.089 212 N HN 0.697 nan 8.380 nan 0.000 0.449 213 L N 0.200 121.404 121.223 -0.031 0.000 2.778 213 L HA 0.304 4.655 4.340 0.018 0.000 0.246 213 L C 1.119 177.839 176.870 -0.250 0.000 1.820 213 L CA -0.925 53.743 54.840 -0.286 0.000 1.986 213 L CB -0.228 41.651 42.059 -0.299 0.000 2.298 213 L HN 0.338 nan 8.230 nan 0.000 0.580 214 Y N 0.017 120.342 120.300 0.043 0.000 2.373 214 Y HA 0.130 4.692 4.550 0.020 0.000 0.293 214 Y C 1.259 177.170 175.900 0.018 0.000 1.129 214 Y CA 0.495 58.608 58.100 0.021 0.000 1.226 214 Y CB -0.527 37.928 38.460 -0.007 0.000 1.000 214 Y HN 0.398 nan 8.280 nan 0.000 0.549 215 G N -0.978 107.915 108.800 0.155 0.000 2.685 215 G HA2 0.703 4.674 3.960 0.018 0.000 0.298 215 G HA3 0.703 4.674 3.960 0.018 0.000 0.298 215 G C -1.536 173.382 174.900 0.031 0.000 1.277 215 G CA -0.580 44.583 45.100 0.105 0.000 0.986 215 G HN 0.167 nan 8.290 nan 0.000 0.487 216 A N 0.510 123.348 122.820 0.031 0.000 2.375 216 A HA 0.720 5.051 4.320 0.018 0.000 0.291 216 A C -0.793 176.655 177.584 -0.226 0.000 1.160 216 A CA -0.540 51.496 52.037 -0.000 0.000 0.747 216 A CB 1.399 20.539 19.000 0.233 0.000 1.170 216 A HN 0.374 nan 8.150 nan 0.000 0.458 217 Q N 2.003 121.595 119.800 -0.346 0.000 2.337 217 Q HA 0.268 4.619 4.340 0.018 0.000 0.260 217 Q C 0.378 176.200 176.000 -0.298 0.000 0.982 217 Q CA -0.070 55.367 55.803 -0.609 0.000 0.734 217 Q CB 1.560 29.410 28.738 -1.480 0.000 1.272 217 Q HN 0.888 nan 8.270 nan 0.000 0.461 218 T N -1.574 112.954 114.554 -0.044 0.000 3.086 218 T HA 0.169 4.530 4.350 0.018 0.000 0.250 218 T C 0.530 175.432 174.700 0.338 0.000 1.074 218 T CA -0.179 62.028 62.100 0.179 0.000 0.988 218 T CB -0.060 68.848 68.868 0.066 0.000 0.988 218 T HN 0.280 nan 8.240 nan 0.000 0.530 219 F N 3.825 123.838 119.950 0.105 0.000 2.538 219 F HA 0.475 5.013 4.527 0.018 0.000 0.371 219 F C -0.456 175.455 175.800 0.184 0.000 1.087 219 F CA -2.208 55.794 58.000 0.003 0.000 1.250 219 F CB 0.152 38.842 39.000 -0.518 0.000 1.110 219 F HN 0.271 nan 8.300 nan 0.000 0.570 220 F N 5.802 125.234 119.950 -0.864 0.000 2.603 220 F HA 0.740 5.278 4.527 0.018 0.000 0.317 220 F C -2.122 172.930 175.800 -1.248 0.000 1.066 220 F CA -1.571 55.910 58.000 -0.865 0.000 0.941 220 F CB 1.163 39.896 39.000 -0.444 0.000 1.291 220 F HN 0.487 nan 8.300 nan 0.000 0.472 221 L N 2.841 123.722 121.223 -0.571 0.000 2.365 221 L HA 0.724 5.075 4.340 0.018 0.000 0.273 221 L C -1.511 175.286 176.870 -0.122 0.000 1.000 221 L CA -0.571 54.028 54.840 -0.402 0.000 0.819 221 L CB 1.652 43.663 42.059 -0.080 0.000 1.284 221 L HN 1.094 nan 8.230 nan 0.000 0.418 222 C N 5.876 124.979 119.300 -0.327 0.000 2.340 222 C HA 0.555 5.026 4.460 0.018 0.000 0.323 222 C C -0.500 174.419 174.990 -0.119 0.000 1.260 222 C CA -0.920 57.955 59.018 -0.238 0.000 1.464 222 C CB 0.811 28.287 27.740 -0.440 0.000 2.156 222 C HN 0.777 nan 8.230 nan 0.000 0.476 223 L N 6.314 127.507 121.223 -0.050 0.000 2.278 223 L HA 0.426 4.777 4.340 0.018 0.000 0.287 223 L C 1.019 177.798 176.870 -0.152 0.000 1.072 223 L CA 0.810 55.576 54.840 -0.123 0.000 0.819 223 L CB 0.481 42.412 42.059 -0.213 0.000 1.176 223 L HN 0.842 nan 8.230 nan 0.000 0.435 224 E N 2.175 122.349 120.200 -0.043 0.000 2.072 224 E HA -0.032 4.329 4.350 0.018 0.000 0.190 224 E C -0.458 176.116 176.600 -0.043 0.000 0.982 224 E CA 1.458 57.869 56.400 0.019 0.000 0.803 224 E CB 0.163 29.915 29.700 0.087 0.000 0.755 224 E HN 0.930 nan 8.360 nan 0.000 0.453 225 D N -2.984 117.380 120.400 -0.060 0.000 2.713 225 D HA 0.269 4.920 4.640 0.018 0.000 0.306 225 D C -0.145 176.250 176.300 0.159 0.000 1.299 225 D CA -0.191 53.836 54.000 0.045 0.000 0.823 225 D CB 0.214 41.087 40.800 0.121 0.000 1.353 225 D HN -0.101 nan 8.370 nan 0.000 0.447 226 A N -0.225 122.859 122.820 0.440 0.000 2.178 226 A HA -0.019 4.313 4.320 0.018 0.000 0.218 226 A C 1.839 179.680 177.584 0.428 0.000 1.157 226 A CA 1.899 54.287 52.037 0.585 0.000 0.689 226 A CB -1.149 18.163 19.000 0.519 0.000 0.787 226 A HN 0.696 nan 8.150 nan 0.000 0.465 227 S N -2.109 113.751 115.700 0.266 0.000 2.481 227 S HA 0.293 4.774 4.470 0.018 0.000 0.231 227 S C 1.589 176.263 174.600 0.122 0.000 0.996 227 S CA 1.273 59.601 58.200 0.213 0.000 0.942 227 S CB -0.276 62.999 63.200 0.125 0.000 0.768 227 S HN 1.808 nan 8.310 nan 0.000 0.520 228 G N 0.700 109.475 108.800 -0.040 0.000 2.238 228 G HA2 -0.194 3.777 3.960 0.018 0.000 0.217 228 G HA3 -0.194 3.777 3.960 0.018 0.000 0.217 228 G C 0.016 174.694 174.900 -0.370 0.000 0.996 228 G CA -0.132 44.584 45.100 -0.639 0.000 0.632 228 G HN 0.500 nan 8.290 nan 0.000 0.503 229 L N 1.873 123.009 121.223 -0.144 0.000 2.578 229 L HA 0.401 4.752 4.340 0.018 0.000 0.279 229 L C 0.461 177.316 176.870 -0.025 0.000 1.227 229 L CA 0.705 55.511 54.840 -0.057 0.000 0.900 229 L CB 0.618 42.682 42.059 0.008 0.000 1.144 229 L HN 0.267 nan 8.230 nan 0.000 0.496 230 S N 2.515 118.231 115.700 0.027 0.000 2.579 230 S HA 0.787 5.268 4.470 0.018 0.000 0.272 230 S C -0.854 173.888 174.600 0.237 0.000 1.141 230 S CA -0.659 57.586 58.200 0.074 0.000 0.843 230 S CB 2.252 65.415 63.200 -0.063 0.000 1.122 230 S HN 0.492 nan 8.310 nan 0.000 0.468 231 F N -1.064 118.901 119.950 0.026 0.000 2.692 231 F HA 0.999 5.537 4.527 0.019 0.000 0.320 231 F C -0.123 175.701 175.800 0.040 0.000 1.123 231 F CA -0.834 57.210 58.000 0.072 0.000 0.961 231 F CB 1.005 40.050 39.000 0.074 0.000 1.383 231 F HN 0.779 nan 8.300 nan 0.000 0.483 232 G N 0.140 108.962 108.800 0.036 0.000 2.694 232 G HA2 0.655 4.627 3.960 0.018 0.000 0.290 232 G HA3 0.655 4.627 3.960 0.018 0.000 0.290 232 G C -2.418 172.465 174.900 -0.028 0.000 1.386 232 G CA -1.155 43.777 45.100 -0.279 0.000 0.872 232 G HN 0.768 nan 8.290 nan 0.000 0.475 233 V N 0.331 119.959 119.914 -0.477 0.000 2.760 233 V HA 0.672 4.803 4.120 0.018 0.000 0.309 233 V C -1.525 174.688 176.094 0.198 0.000 1.077 233 V CA -0.675 61.575 62.300 -0.084 0.000 0.910 233 V CB 1.785 33.523 31.823 -0.142 0.000 1.008 233 V HN 0.757 nan 8.190 nan 0.000 0.424 234 F N 5.684 125.803 119.950 0.281 0.000 2.547 234 F HA 0.793 5.331 4.527 0.018 0.000 0.316 234 F C -1.200 174.654 175.800 0.090 0.000 1.121 234 F CA -1.195 56.965 58.000 0.268 0.000 0.911 234 F CB 1.841 41.127 39.000 0.477 0.000 1.179 234 F HN 0.420 nan 8.300 nan 0.000 0.443 235 L N 7.822 128.522 121.223 -0.872 0.000 2.262 235 L HA 0.525 4.876 4.340 0.018 0.000 0.288 235 L C -0.674 175.357 176.870 -1.398 0.000 1.035 235 L CA -0.603 53.517 54.840 -1.201 0.000 0.820 235 L CB 1.121 42.430 42.059 -1.249 0.000 1.204 235 L HN 0.765 nan 8.230 nan 0.000 0.424 236 M N 6.265 125.217 119.600 -1.081 0.000 2.725 236 M HA 0.382 4.873 4.480 0.018 0.000 0.322 236 M C -1.050 175.076 176.300 -0.290 0.000 1.393 236 M CA 0.521 55.475 55.300 -0.577 0.000 1.452 236 M CB -0.972 31.538 32.600 -0.151 0.000 1.242 236 M HN 0.665 nan 8.290 nan 0.000 0.487 237 N N 1.134 119.751 118.700 -0.140 0.000 2.452 237 N HA 0.229 4.980 4.740 0.018 0.000 0.277 237 N C -0.817 174.814 175.510 0.202 0.000 1.078 237 N CA 0.077 53.114 53.050 -0.021 0.000 0.947 237 N CB 1.602 39.977 38.487 -0.187 0.000 1.655 237 N HN 0.506 nan 8.380 nan 0.000 0.490 238 S N 1.221 117.047 115.700 0.209 0.000 2.554 238 S HA 0.244 4.726 4.470 0.018 0.000 0.226 238 S C 0.334 175.007 174.600 0.122 0.000 0.980 238 S CA -0.586 57.716 58.200 0.169 0.000 0.939 238 S CB -0.125 63.015 63.200 -0.100 0.000 0.832 238 S HN 0.485 nan 8.310 nan 0.000 0.486 239 N N 2.262 121.008 118.700 0.076 0.000 2.424 239 N HA 0.414 5.165 4.740 0.018 0.000 0.257 239 N C 0.134 175.681 175.510 0.063 0.000 1.250 239 N CA 0.161 53.196 53.050 -0.025 0.000 0.946 239 N CB 0.740 39.161 38.487 -0.109 0.000 1.175 239 N HN 0.433 nan 8.380 nan 0.000 0.477 240 A N 1.269 124.084 122.820 -0.009 0.000 2.540 240 A HA 0.279 4.610 4.320 0.018 0.000 0.239 240 A C 0.425 178.005 177.584 -0.006 0.000 1.061 240 A CA 0.430 52.471 52.037 0.008 0.000 0.758 240 A CB -0.270 18.417 19.000 -0.521 0.000 0.991 240 A HN 0.756 nan 8.150 nan 0.000 0.502 241 M N 0.907 120.554 119.600 0.078 0.000 2.813 241 M HA 0.782 5.273 4.480 0.018 0.000 0.270 241 M C -1.101 175.271 176.300 0.120 0.000 1.267 241 M CA -0.765 54.584 55.300 0.081 0.000 0.822 241 M CB 1.919 34.581 32.600 0.103 0.000 1.671 241 M HN 0.724 nan 8.290 nan 0.000 0.468 242 E N 0.397 120.667 120.200 0.117 0.000 2.408 242 E HA 0.754 5.116 4.350 0.018 0.000 0.275 242 E C -1.717 174.923 176.600 0.066 0.000 0.935 242 E CA -1.164 55.306 56.400 0.118 0.000 0.775 242 E CB 2.898 32.660 29.700 0.103 0.000 1.277 242 E HN 0.516 nan 8.360 nan 0.000 0.455 243 V N 1.442 121.379 119.914 0.038 0.000 2.487 243 V HA 0.334 4.466 4.120 0.018 0.000 0.298 243 V C -0.576 175.464 176.094 -0.090 0.000 1.028 243 V CA -0.835 61.391 62.300 -0.123 0.000 0.860 243 V CB 1.704 33.394 31.823 -0.221 0.000 0.991 243 V HN 0.568 nan 8.190 nan 0.000 0.427 244 V N 6.448 126.277 119.914 -0.141 0.000 2.384 244 V HA 0.501 4.632 4.120 0.018 0.000 0.287 244 V C -0.213 175.781 176.094 -0.167 0.000 1.020 244 V CA -0.437 61.806 62.300 -0.095 0.000 0.850 244 V CB 1.482 33.292 31.823 -0.021 0.000 0.987 244 V HN 0.626 nan 8.190 nan 0.000 0.436 245 L N 5.952 127.076 121.223 -0.165 0.000 2.325 245 L HA 0.748 5.099 4.340 0.018 0.000 0.278 245 L C -0.105 176.587 176.870 -0.296 0.000 1.023 245 L CA -0.394 54.292 54.840 -0.258 0.000 0.811 245 L CB 1.708 43.625 42.059 -0.236 0.000 1.249 245 L HN 0.814 nan 8.230 nan 0.000 0.431 246 Q N 2.307 121.844 119.800 -0.439 0.000 2.511 246 Q HA 0.459 4.810 4.340 0.018 0.000 0.289 246 Q C -2.696 172.868 176.000 -0.727 0.000 1.021 246 Q CA -1.900 53.416 55.803 -0.812 0.000 0.785 246 Q CB 2.635 30.768 28.738 -1.009 0.000 1.472 246 Q HN 0.187 nan 8.270 nan 0.000 0.411 247 P HA 0.039 nan 4.420 nan 0.000 0.249 247 P C 0.873 177.965 177.300 -0.347 0.000 1.241 247 P CA 0.932 63.727 63.100 -0.508 0.000 0.781 247 P CB -0.013 31.420 31.700 -0.445 0.000 1.088 248 A N 1.247 123.854 122.820 -0.355 0.000 1.929 248 A HA -0.140 4.191 4.320 0.018 0.000 0.221 248 A C -0.737 176.753 177.584 -0.158 0.000 1.211 248 A CA 1.479 53.389 52.037 -0.212 0.000 0.657 248 A CB -2.516 16.369 19.000 -0.192 0.000 0.827 248 A HN 0.307 nan 8.150 nan 0.000 0.462 249 P HA 0.574 nan 4.420 nan 0.000 0.281 249 P C -0.762 176.405 177.300 -0.222 0.000 1.249 249 P CA 0.229 63.193 63.100 -0.227 0.000 0.810 249 P CB 1.592 33.172 31.700 -0.199 0.000 1.008 250 A N 2.248 124.903 122.820 -0.275 0.000 2.612 250 A HA 0.721 5.052 4.320 0.018 0.000 0.293 250 A C -1.281 176.120 177.584 -0.304 0.000 1.075 250 A CA -0.643 51.243 52.037 -0.253 0.000 0.680 250 A CB 1.076 19.953 19.000 -0.205 0.000 1.279 250 A HN 0.445 nan 8.150 nan 0.000 0.411 251 I N 0.611 120.999 120.570 -0.303 0.000 2.646 251 I HA 0.591 4.772 4.170 0.018 0.000 0.299 251 I C -0.407 175.567 176.117 -0.239 0.000 1.036 251 I CA -0.462 60.623 61.300 -0.358 0.000 1.074 251 I CB 2.747 40.422 38.000 -0.541 0.000 1.258 251 I HN 0.633 nan 8.210 nan 0.000 0.430 252 T N 3.887 118.305 114.554 -0.227 0.000 2.861 252 T HA 0.486 4.847 4.350 0.018 0.000 0.287 252 T C -1.169 173.445 174.700 -0.143 0.000 1.003 252 T CA -0.453 61.590 62.100 -0.094 0.000 0.977 252 T CB 0.917 69.772 68.868 -0.021 0.000 0.996 252 T HN 0.149 nan 8.240 nan 0.000 0.448 253 Y N 1.945 122.285 120.300 0.066 0.000 2.330 253 Y HA 0.597 5.158 4.550 0.018 0.000 0.336 253 Y C 0.713 176.595 175.900 -0.030 0.000 1.036 253 Y CA -0.787 57.357 58.100 0.073 0.000 1.125 253 Y CB 1.283 39.867 38.460 0.207 0.000 1.194 253 Y HN 0.336 nan 8.280 nan 0.000 0.469 254 R N 2.259 122.782 120.500 0.039 0.000 2.473 254 R HA 0.438 4.789 4.340 0.018 0.000 0.303 254 R C -1.271 174.922 176.300 -0.179 0.000 1.002 254 R CA -0.248 55.726 56.100 -0.210 0.000 0.884 254 R CB 1.348 31.521 30.300 -0.212 0.000 1.173 254 R HN 0.752 nan 8.270 nan 0.000 0.464 255 T N 3.213 117.609 114.554 -0.264 0.000 2.924 255 T HA 0.405 4.766 4.350 0.018 0.000 0.291 255 T C 0.744 175.337 174.700 -0.178 0.000 1.045 255 T CA -0.861 61.147 62.100 -0.153 0.000 1.015 255 T CB 1.040 69.840 68.868 -0.113 0.000 1.103 255 T HN 0.650 nan 8.240 nan 0.000 0.496 256 I N 0.330 120.860 120.570 -0.067 0.000 3.914 256 I HA 0.692 4.874 4.170 0.018 0.000 0.333 256 I C 0.494 176.683 176.117 0.120 0.000 1.449 256 I CA -0.517 60.812 61.300 0.048 0.000 1.135 256 I CB -0.178 37.890 38.000 0.113 0.000 1.073 256 I HN 0.641 nan 8.210 nan 0.000 0.401 257 G N -0.425 108.399 108.800 0.040 0.000 2.490 257 G HA2 0.524 4.495 3.960 0.018 0.000 0.308 257 G HA3 0.524 4.495 3.960 0.018 0.000 0.308 257 G C -0.117 174.822 174.900 0.065 0.000 1.286 257 G CA -0.072 45.110 45.100 0.138 0.000 0.825 257 G HN 0.620 nan 8.290 nan 0.000 0.479 258 G N -0.713 108.187 108.800 0.167 0.000 2.566 258 G HA2 0.178 4.149 3.960 0.018 0.000 0.280 258 G HA3 0.178 4.149 3.960 0.018 0.000 0.280 258 G C 0.307 175.223 174.900 0.027 0.000 1.225 258 G CA 1.309 46.520 45.100 0.186 0.000 0.966 258 G HN 2.151 nan 8.290 nan 0.000 0.560 259 I N -2.940 117.597 120.570 -0.056 0.000 3.145 259 I HA 0.782 4.963 4.170 0.018 0.000 0.313 259 I C -0.242 175.718 176.117 -0.263 0.000 1.122 259 I CA -1.492 59.736 61.300 -0.121 0.000 0.987 259 I CB 2.079 40.066 38.000 -0.021 0.000 1.236 259 I HN 0.522 nan 8.210 nan 0.000 0.453 260 L N 2.627 123.689 121.223 -0.269 0.000 2.270 260 L HA 0.398 4.749 4.340 0.018 0.000 0.286 260 L C -0.997 175.580 176.870 -0.488 0.000 1.059 260 L CA 0.050 54.647 54.840 -0.405 0.000 0.839 260 L CB 0.301 42.288 42.059 -0.120 0.000 1.221 260 L HN 0.553 nan 8.230 nan 0.000 0.431 261 D N 3.860 123.833 120.400 -0.711 0.000 2.462 261 D HA 0.354 5.005 4.640 0.018 0.000 0.245 261 D C -1.129 174.668 176.300 -0.838 0.000 1.122 261 D CA -0.204 53.434 54.000 -0.603 0.000 0.864 261 D CB 0.796 41.391 40.800 -0.342 0.000 1.098 261 D HN -0.003 nan 8.370 nan 0.000 0.541 262 F N 2.691 122.076 119.950 -0.941 0.000 2.508 262 F HA 0.484 5.022 4.527 0.019 0.000 0.325 262 F C -0.420 174.846 175.800 -0.890 0.000 1.090 262 F CA -0.622 56.810 58.000 -0.947 0.000 0.945 262 F CB 1.470 39.601 39.000 -1.448 0.000 1.156 262 F HN 0.202 nan 8.300 nan 0.000 0.463 263 Y N 1.234 121.404 120.300 -0.217 0.000 2.446 263 Y HA 0.706 5.267 4.550 0.019 0.000 0.345 263 Y C -0.684 174.914 175.900 -0.504 0.000 0.984 263 Y CA -1.111 56.751 58.100 -0.398 0.000 1.058 263 Y CB 2.074 40.296 38.460 -0.397 0.000 1.220 263 Y HN 0.193 nan 8.280 nan 0.000 0.455 264 V N 3.958 123.604 119.914 -0.446 0.000 2.656 264 V HA 0.498 4.629 4.120 0.018 0.000 0.307 264 V C -1.110 174.737 176.094 -0.412 0.000 1.051 264 V CA -1.142 61.001 62.300 -0.262 0.000 0.893 264 V CB 1.601 33.399 31.823 -0.041 0.000 0.999 264 V HN 0.504 nan 8.190 nan 0.000 0.426 265 F N 4.370 124.449 119.950 0.215 0.000 2.540 265 F HA 0.773 5.311 4.527 0.019 0.000 0.317 265 F C -0.468 175.459 175.800 0.210 0.000 1.104 265 F CA -0.780 57.331 58.000 0.185 0.000 0.913 265 F CB 1.764 40.887 39.000 0.204 0.000 1.170 265 F HN 0.171 nan 8.300 nan 0.000 0.450 266 L N 1.853 123.281 121.223 0.341 0.000 2.342 266 L HA 0.940 5.291 4.340 0.018 0.000 0.271 266 L C 0.156 177.158 176.870 0.220 0.000 1.008 266 L CA -0.279 54.730 54.840 0.281 0.000 0.818 266 L CB 2.064 44.261 42.059 0.230 0.000 1.296 266 L HN 0.780 nan 8.230 nan 0.000 0.427 267 G N 0.258 109.154 108.800 0.160 0.000 2.695 267 G HA2 0.300 4.271 3.960 0.018 0.000 0.290 267 G HA3 0.300 4.271 3.960 0.018 0.000 0.290 267 G C -0.173 174.749 174.900 0.036 0.000 1.410 267 G CA -0.473 44.679 45.100 0.088 0.000 0.844 267 G HN 0.428 nan 8.290 nan 0.000 0.478 268 N N -0.537 118.166 118.700 0.004 0.000 2.463 268 N HA 0.080 4.831 4.740 0.018 0.000 0.181 268 N C 0.794 176.219 175.510 -0.142 0.000 1.078 268 N CA 1.122 54.151 53.050 -0.035 0.000 0.902 268 N CB 0.445 38.929 38.487 -0.005 0.000 0.970 268 N HN 0.775 nan 8.380 nan 0.000 0.451 269 T N -4.307 110.146 114.554 -0.167 0.000 2.864 269 T HA 0.382 4.743 4.350 0.018 0.000 0.299 269 T C -2.468 172.078 174.700 -0.256 0.000 1.166 269 T CA -1.644 60.261 62.100 -0.325 0.000 1.007 269 T CB 2.494 71.236 68.868 -0.211 0.000 1.219 269 T HN -0.369 nan 8.240 nan 0.000 0.506 270 P HA -0.085 nan 4.420 nan 0.000 0.216 270 P C 1.537 178.624 177.300 -0.355 0.000 1.153 270 P CA 1.015 63.845 63.100 -0.450 0.000 0.858 270 P CB 0.141 31.294 31.700 -0.911 0.000 0.789 271 E N -0.298 119.753 120.200 -0.250 0.000 2.077 271 E HA -0.203 4.159 4.350 0.018 0.000 0.193 271 E C 2.065 178.637 176.600 -0.046 0.000 0.989 271 E CA 1.190 57.556 56.400 -0.057 0.000 0.800 271 E CB -0.507 29.212 29.700 0.031 0.000 0.746 271 E HN 0.464 nan 8.360 nan 0.000 0.452 272 Q N 0.223 119.993 119.800 -0.051 0.000 2.170 272 Q HA -0.098 4.253 4.340 0.018 0.000 0.203 272 Q C 2.340 178.333 176.000 -0.012 0.000 0.976 272 Q CA 0.984 56.772 55.803 -0.025 0.000 0.858 272 Q CB 0.041 28.775 28.738 -0.007 0.000 0.907 272 Q HN 0.108 nan 8.270 nan 0.000 0.433 273 V N 0.068 119.980 119.914 -0.003 0.000 2.295 273 V HA -0.229 3.902 4.120 0.018 0.000 0.246 273 V C 2.224 178.312 176.094 -0.011 0.000 1.049 273 V CA 1.418 63.750 62.300 0.053 0.000 1.024 273 V CB -0.429 31.450 31.823 0.093 0.000 0.648 273 V HN 0.180 nan 8.190 nan 0.000 0.447 274 V N -0.335 119.575 119.914 -0.007 0.000 2.343 274 V HA -0.348 3.784 4.120 0.018 0.000 0.247 274 V C 2.463 178.446 176.094 -0.185 0.000 1.051 274 V CA 2.151 64.407 62.300 -0.073 0.000 1.036 274 V CB -0.819 31.013 31.823 0.015 0.000 0.654 274 V HN 0.590 nan 8.190 nan 0.000 0.451 275 Q N -0.540 119.177 119.800 -0.139 0.000 2.096 275 Q HA -0.227 4.124 4.340 0.018 0.000 0.204 275 Q C 2.383 178.256 176.000 -0.211 0.000 0.982 275 Q CA 1.694 57.396 55.803 -0.168 0.000 0.850 275 Q CB -0.208 28.465 28.738 -0.109 0.000 0.901 275 Q HN 0.609 nan 8.270 nan 0.000 0.422 276 E N -0.092 120.003 120.200 -0.175 0.000 2.072 276 E HA -0.181 4.180 4.350 0.018 0.000 0.191 276 E C 1.788 178.081 176.600 -0.513 0.000 0.985 276 E CA 0.864 57.169 56.400 -0.158 0.000 0.801 276 E CB -0.300 29.440 29.700 0.065 0.000 0.750 276 E HN 0.409 nan 8.360 nan 0.000 0.452 277 Y N 1.686 121.347 120.300 -1.065 0.000 2.145 277 Y HA -0.164 4.397 4.550 0.018 0.000 0.286 277 Y C 2.136 177.491 175.900 -0.908 0.000 1.145 277 Y CA 1.371 58.537 58.100 -1.557 0.000 1.148 277 Y CB -0.487 36.971 38.460 -1.671 0.000 0.981 277 Y HN -0.075 nan 8.280 nan 0.000 0.507 278 L N 0.036 120.756 121.223 -0.838 0.000 2.217 278 L HA -0.118 4.233 4.340 0.018 0.000 0.211 278 L C 2.371 178.922 176.870 -0.531 0.000 1.107 278 L CA 1.495 55.883 54.840 -0.753 0.000 0.783 278 L CB -0.643 41.108 42.059 -0.514 0.000 0.919 278 L HN 0.188 nan 8.230 nan 0.000 0.442 279 E N 1.199 121.168 120.200 -0.385 0.000 2.118 279 E HA -0.258 4.103 4.350 0.018 0.000 0.195 279 E C 1.991 178.484 176.600 -0.178 0.000 0.992 279 E CA 1.391 57.657 56.400 -0.224 0.000 0.804 279 E CB -0.189 29.430 29.700 -0.134 0.000 0.741 279 E HN 0.330 nan 8.360 nan 0.000 0.458 280 L N -0.460 120.595 121.223 -0.280 0.000 2.007 280 L HA 0.061 4.412 4.340 0.018 0.000 0.205 280 L C 2.203 178.901 176.870 -0.287 0.000 1.073 280 L CA 1.531 56.217 54.840 -0.257 0.000 0.744 280 L CB -0.534 41.368 42.059 -0.262 0.000 0.898 280 L HN 0.279 nan 8.230 nan 0.000 0.435 281 I N 0.093 120.297 120.570 -0.610 0.000 2.876 281 I HA 0.312 4.493 4.170 0.018 0.000 0.264 281 I C 0.609 176.479 176.117 -0.411 0.000 1.204 281 I CA 0.815 61.752 61.300 -0.606 0.000 1.485 281 I CB -0.289 37.043 38.000 -1.115 0.000 1.103 281 I HN 0.440 nan 8.210 nan 0.000 0.446 282 G N 1.216 109.646 108.800 -0.617 0.000 3.326 282 G HA2 -0.076 3.895 3.960 0.018 0.000 0.681 282 G HA3 -0.076 3.895 3.960 0.018 0.000 0.681 282 G C -0.413 174.132 174.900 -0.592 0.000 1.255 282 G CA -0.940 43.608 45.100 -0.921 0.000 0.976 282 G HN 0.176 nan 8.290 nan 0.000 0.563 283 R N 3.164 123.358 120.500 -0.510 0.000 2.615 283 R HA 0.488 4.839 4.340 0.018 0.000 0.270 283 R C -1.815 174.308 176.300 -0.295 0.000 1.081 283 R CA -1.222 54.642 56.100 -0.392 0.000 1.154 283 R CB 0.775 30.832 30.300 -0.405 0.000 1.063 283 R HN 0.433 nan 8.270 nan 0.000 0.519 284 P HA 0.011 nan 4.420 nan 0.000 0.272 284 P C -0.843 176.470 177.300 0.021 0.000 1.223 284 P CA -0.132 62.913 63.100 -0.092 0.000 0.784 284 P CB 0.602 32.290 31.700 -0.020 0.000 0.923 285 A N 2.926 125.711 122.820 -0.059 0.000 2.531 285 A HA 0.110 4.441 4.320 0.018 0.000 0.236 285 A C 0.174 177.669 177.584 -0.149 0.000 1.062 285 A CA -0.217 51.757 52.037 -0.105 0.000 0.760 285 A CB -0.520 18.383 19.000 -0.163 0.000 0.995 285 A HN 0.599 nan 8.150 nan 0.000 0.501 286 L N 5.044 126.015 121.223 -0.420 0.000 2.418 286 L HA 0.349 4.700 4.340 0.018 0.000 0.274 286 L C -1.771 174.945 176.870 -0.258 0.000 1.135 286 L CA -1.276 53.348 54.840 -0.360 0.000 0.870 286 L CB 0.302 42.042 42.059 -0.532 0.000 1.154 286 L HN 0.509 nan 8.230 nan 0.000 0.462 287 P HA 0.150 nan 4.420 nan 0.000 0.274 287 P C -0.677 176.474 177.300 -0.248 0.000 1.237 287 P CA -0.484 62.427 63.100 -0.314 0.000 0.793 287 P CB 0.613 31.995 31.700 -0.530 0.000 0.977 288 S N 0.803 116.265 115.700 -0.395 0.000 2.558 288 S HA -0.057 4.424 4.470 0.018 0.000 0.288 288 S C 1.041 175.356 174.600 -0.474 0.000 1.318 288 S CA -0.129 57.772 58.200 -0.499 0.000 1.056 288 S CB -0.337 62.229 63.200 -1.056 0.000 0.853 288 S HN 0.470 nan 8.310 nan 0.000 0.505 289 Y N 3.189 123.214 120.300 -0.459 0.000 2.256 289 Y HA -0.191 4.369 4.550 0.017 0.000 0.288 289 Y C 2.006 177.711 175.900 -0.325 0.000 1.155 289 Y CA 1.912 59.702 58.100 -0.517 0.000 1.203 289 Y CB -0.073 37.962 38.460 -0.708 0.000 0.980 289 Y HN 0.918 nan 8.280 nan 0.000 0.530 290 W N -0.838 120.412 121.300 -0.084 0.000 2.425 290 W HA -0.008 4.667 4.660 0.026 0.000 0.277 290 W C 1.864 178.242 176.519 -0.235 0.000 1.231 290 W CA 0.804 58.067 57.345 -0.136 0.000 1.248 290 W CB -1.140 28.240 29.460 -0.133 0.000 1.117 290 W HN 0.179 nan 8.180 nan 0.000 0.568 291 A N 1.797 124.266 122.820 -0.585 0.000 2.121 291 A HA -0.026 4.305 4.320 0.018 0.000 0.218 291 A C 2.148 179.652 177.584 -0.134 0.000 1.154 291 A CA 1.025 52.747 52.037 -0.526 0.000 0.679 291 A CB -0.856 17.657 19.000 -0.811 0.000 0.795 291 A HN 0.380 nan 8.150 nan 0.000 0.458 292 L N -0.684 120.378 121.223 -0.269 0.000 2.478 292 L HA 0.048 4.399 4.340 0.018 0.000 0.223 292 L C 1.813 178.597 176.870 -0.142 0.000 1.140 292 L CA 0.049 54.753 54.840 -0.227 0.000 0.842 292 L CB -0.764 41.031 42.059 -0.441 0.000 0.953 292 L HN 0.460 nan 8.230 nan 0.000 0.452 293 G N -0.506 108.218 108.800 -0.126 0.000 2.570 293 G HA2 0.082 4.053 3.960 0.018 0.000 0.276 293 G HA3 0.082 4.053 3.960 0.018 0.000 0.276 293 G C -0.828 174.239 174.900 0.278 0.000 1.346 293 G CA -0.455 44.628 45.100 -0.027 0.000 1.034 293 G HN -0.053 nan 8.290 nan 0.000 0.512 294 F N -0.027 120.123 119.950 0.334 0.000 2.396 294 F HA 0.515 5.052 4.527 0.016 0.000 0.343 294 F C -0.053 175.855 175.800 0.180 0.000 1.104 294 F CA -0.754 57.398 58.000 0.253 0.000 1.161 294 F CB 0.836 39.972 39.000 0.227 0.000 1.146 294 F HN 0.353 nan 8.300 nan 0.000 0.522 295 H N 5.225 123.828 119.070 -0.778 0.000 2.492 295 H HA 0.636 5.204 4.556 0.019 0.000 0.345 295 H C -1.241 173.489 175.328 -0.997 0.000 1.136 295 H CA -0.722 54.977 56.048 -0.580 0.000 1.202 295 H CB 1.775 31.251 29.762 -0.477 0.000 1.524 295 H HN 0.662 nan 8.280 nan 0.000 0.506 296 L N 1.449 122.476 121.223 -0.326 0.000 2.370 296 L HA 0.745 5.096 4.340 0.018 0.000 0.266 296 L C -0.650 176.240 176.870 0.033 0.000 1.002 296 L CA -0.149 54.537 54.840 -0.256 0.000 0.818 296 L CB 2.009 43.938 42.059 -0.217 0.000 1.325 296 L HN 0.640 nan 8.230 nan 0.000 0.418 297 S N 2.931 118.694 115.700 0.105 0.000 2.552 297 S HA 0.886 5.367 4.470 0.018 0.000 0.272 297 S C -1.646 173.175 174.600 0.368 0.000 1.150 297 S CA -0.643 57.728 58.200 0.285 0.000 0.849 297 S CB 1.253 64.399 63.200 -0.090 0.000 1.113 297 S HN 0.959 nan 8.310 nan 0.000 0.458 298 R N 1.790 122.468 120.500 0.297 0.000 2.692 298 R HA 0.403 4.754 4.340 0.018 0.000 0.269 298 R C -1.875 174.543 176.300 0.197 0.000 1.030 298 R CA -1.035 55.094 56.100 0.048 0.000 0.882 298 R CB 0.585 30.626 30.300 -0.432 0.000 1.250 298 R HN 0.663 nan 8.270 nan 0.000 0.465 299 Y N 2.611 122.939 120.300 0.046 0.000 2.404 299 Y HA 0.130 4.690 4.550 0.016 0.000 0.344 299 Y C -0.430 175.391 175.900 -0.131 0.000 0.995 299 Y CA -0.250 57.891 58.100 0.069 0.000 1.201 299 Y CB 0.690 39.239 38.460 0.149 0.000 1.151 299 Y HN 0.818 nan 8.280 nan 0.000 0.517 300 E N 4.973 125.251 120.200 0.129 0.000 2.346 300 E HA -0.285 4.076 4.350 0.018 0.000 0.200 300 E C -0.372 176.172 176.600 -0.093 0.000 1.331 300 E CA 0.579 56.951 56.400 -0.046 0.000 0.668 300 E CB -1.626 27.896 29.700 -0.297 0.000 1.157 300 E HN 0.944 nan 8.360 nan 0.000 0.393 301 Y N 0.011 120.391 120.300 0.133 0.000 2.207 301 Y HA -0.201 4.372 4.550 0.038 0.000 0.287 301 Y C 2.434 178.363 175.900 0.049 0.000 1.156 301 Y CA 2.042 60.197 58.100 0.091 0.000 1.182 301 Y CB -0.051 38.490 38.460 0.135 0.000 0.979 301 Y HN 0.660 nan 8.280 nan 0.000 0.521 302 G N -1.004 107.962 108.800 0.276 0.000 2.527 302 G HA2 -0.273 3.698 3.960 0.018 0.000 0.218 302 G HA3 -0.273 3.698 3.960 0.018 0.000 0.218 302 G C 0.430 175.437 174.900 0.179 0.000 1.177 302 G CA 0.376 45.575 45.100 0.165 0.000 0.695 302 G HN 0.637 nan 8.290 nan 0.000 0.517 303 T N -2.070 112.460 114.554 -0.040 0.000 2.903 303 T HA 0.651 5.012 4.350 0.018 0.000 0.299 303 T C 0.953 175.063 174.700 -0.984 0.000 1.093 303 T CA 0.224 62.027 62.100 -0.495 0.000 1.002 303 T CB 2.089 70.784 68.868 -0.289 0.000 1.127 303 T HN 1.052 nan 8.240 nan 0.000 0.488 304 L N 1.291 121.486 121.223 -1.713 0.000 2.081 304 L HA -0.012 4.339 4.340 0.018 0.000 0.212 304 L C 1.828 178.318 176.870 -0.633 0.000 1.080 304 L CA 2.080 56.189 54.840 -1.220 0.000 0.754 304 L CB -1.080 40.422 42.059 -0.929 0.000 0.893 304 L HN 0.800 nan 8.230 nan 0.000 0.433 305 D N -0.642 119.497 120.400 -0.435 0.000 2.144 305 D HA -0.165 4.486 4.640 0.018 0.000 0.199 305 D C 1.924 178.102 176.300 -0.204 0.000 0.984 305 D CA 1.039 54.889 54.000 -0.250 0.000 0.834 305 D CB -0.209 40.490 40.800 -0.169 0.000 0.955 305 D HN 0.380 nan 8.370 nan 0.000 0.465 306 N N 0.149 118.730 118.700 -0.199 0.000 2.142 306 N HA -0.113 4.638 4.740 0.018 0.000 0.186 306 N C 1.794 177.215 175.510 -0.147 0.000 1.023 306 N CA 0.512 53.509 53.050 -0.090 0.000 0.852 306 N CB -0.363 38.129 38.487 0.009 0.000 0.998 306 N HN 0.269 nan 8.380 nan 0.000 0.424 307 M N 0.774 120.156 119.600 -0.362 0.000 2.086 307 M HA -0.111 4.380 4.480 0.018 0.000 0.261 307 M C 1.934 177.992 176.300 -0.404 0.000 1.067 307 M CA 1.459 56.322 55.300 -0.729 0.000 1.116 307 M CB 0.060 32.194 32.600 -0.776 0.000 1.348 307 M HN 0.001 nan 8.290 nan 0.000 0.407 308 R N -0.042 120.259 120.500 -0.331 0.000 2.105 308 R HA -0.210 4.141 4.340 0.018 0.000 0.239 308 R C 2.202 178.497 176.300 -0.008 0.000 1.135 308 R CA 2.004 58.050 56.100 -0.089 0.000 0.967 308 R CB -0.540 29.708 30.300 -0.086 0.000 0.861 308 R HN 0.601 nan 8.270 nan 0.000 0.442 309 E N 0.508 120.681 120.200 -0.044 0.000 2.077 309 E HA -0.165 4.196 4.350 0.018 0.000 0.193 309 E C 1.869 178.493 176.600 0.040 0.000 0.989 309 E CA 1.281 57.682 56.400 0.002 0.000 0.800 309 E CB 0.178 29.873 29.700 -0.008 0.000 0.746 309 E HN 0.099 nan 8.360 nan 0.000 0.452 310 V N 0.512 120.449 119.914 0.038 0.000 2.307 310 V HA -0.239 3.892 4.120 0.018 0.000 0.245 310 V C 2.465 178.647 176.094 0.147 0.000 1.045 310 V CA 1.448 63.807 62.300 0.099 0.000 1.024 310 V CB -0.335 31.586 31.823 0.162 0.000 0.651 310 V HN 0.210 nan 8.190 nan 0.000 0.449 311 V N 0.065 120.085 119.914 0.177 0.000 2.282 311 V HA -0.331 3.800 4.120 0.018 0.000 0.249 311 V C 2.420 178.677 176.094 0.273 0.000 1.057 311 V CA 2.388 64.890 62.300 0.336 0.000 1.032 311 V CB -0.732 31.284 31.823 0.321 0.000 0.645 311 V HN 0.630 nan 8.190 nan 0.000 0.447 312 E N 0.118 120.415 120.200 0.162 0.000 2.106 312 E HA -0.227 4.134 4.350 0.018 0.000 0.192 312 E C 2.374 179.040 176.600 0.110 0.000 0.984 312 E CA 1.364 57.834 56.400 0.117 0.000 0.806 312 E CB -0.195 29.551 29.700 0.076 0.000 0.750 312 E HN 0.722 nan 8.360 nan 0.000 0.458 313 R N 0.884 121.445 120.500 0.102 0.000 2.115 313 R HA 0.011 4.362 4.340 0.018 0.000 0.226 313 R C 1.811 178.169 176.300 0.097 0.000 1.100 313 R CA 1.232 57.381 56.100 0.082 0.000 0.980 313 R CB -0.313 30.024 30.300 0.063 0.000 0.875 313 R HN 0.064 nan 8.270 nan 0.000 0.445 314 N N 1.103 119.882 118.700 0.132 0.000 2.216 314 N HA -0.071 4.680 4.740 0.018 0.000 0.183 314 N C 1.790 177.426 175.510 0.210 0.000 1.017 314 N CA 1.079 54.207 53.050 0.130 0.000 0.861 314 N CB -0.111 38.377 38.487 0.002 0.000 0.986 314 N HN 0.343 nan 8.380 nan 0.000 0.428 315 R N 1.073 121.736 120.500 0.271 0.000 2.081 315 R HA 0.004 4.355 4.340 0.018 0.000 0.235 315 R C 2.298 178.656 176.300 0.097 0.000 1.131 315 R CA 1.162 57.370 56.100 0.181 0.000 0.960 315 R CB -0.311 30.059 30.300 0.116 0.000 0.856 315 R HN 0.166 nan 8.270 nan 0.000 0.436 316 A N 1.334 124.204 122.820 0.083 0.000 1.940 316 A HA -0.114 4.217 4.320 0.018 0.000 0.219 316 A C 2.226 179.837 177.584 0.044 0.000 1.176 316 A CA 1.721 53.789 52.037 0.052 0.000 0.631 316 A CB -0.467 18.561 19.000 0.047 0.000 0.814 316 A HN 0.396 nan 8.150 nan 0.000 0.446 317 A N -1.880 120.971 122.820 0.053 0.000 2.235 317 A HA 0.185 4.516 4.320 0.018 0.000 0.208 317 A C 0.849 178.446 177.584 0.023 0.000 1.172 317 A CA 0.933 52.992 52.037 0.036 0.000 0.786 317 A CB -0.208 18.814 19.000 0.037 0.000 0.804 317 A HN 0.500 nan 8.150 nan 0.000 0.479 318 Q N -2.278 117.541 119.800 0.032 0.000 2.487 318 Q HA -0.206 4.145 4.340 0.018 0.000 0.279 318 Q C -0.305 175.689 176.000 -0.011 0.000 1.228 318 Q CA 0.691 56.502 55.803 0.013 0.000 0.873 318 Q CB -2.470 26.266 28.738 -0.003 0.000 1.260 318 Q HN 0.561 nan 8.270 nan 0.000 0.471 319 L N 1.562 122.797 121.223 0.020 0.000 2.367 319 L HA 0.292 4.643 4.340 0.018 0.000 0.275 319 L C -1.930 174.924 176.870 -0.028 0.000 1.129 319 L CA -1.116 53.704 54.840 -0.032 0.000 0.839 319 L CB 0.572 42.618 42.059 -0.021 0.000 1.133 319 L HN -0.157 nan 8.230 nan 0.000 0.453 320 P HA 0.060 nan 4.420 nan 0.000 0.267 320 P C -1.767 175.554 177.300 0.036 0.000 1.209 320 P CA 0.477 63.322 63.100 -0.425 0.000 0.763 320 P CB 0.138 31.180 31.700 -1.095 0.000 0.816 321 Y N 2.768 123.101 120.300 0.055 0.000 2.265 321 Y HA 0.195 4.754 4.550 0.014 0.000 0.324 321 Y C -0.486 175.511 175.900 0.162 0.000 1.197 321 Y CA -0.929 57.321 58.100 0.251 0.000 1.318 321 Y CB 0.221 38.803 38.460 0.204 0.000 1.223 321 Y HN 0.247 nan 8.280 nan 0.000 0.419 322 D N 2.559 123.145 120.400 0.310 0.000 2.277 322 D HA 0.244 4.895 4.640 0.018 0.000 0.209 322 D C -0.315 175.910 176.300 -0.125 0.000 0.970 322 D CA 1.254 55.287 54.000 0.056 0.000 0.874 322 D CB 0.803 41.673 40.800 0.117 0.000 0.982 322 D HN 0.157 nan 8.370 nan 0.000 0.504 323 V N 0.883 120.757 119.914 -0.066 0.000 2.656 323 V HA 0.445 4.576 4.120 0.018 0.000 0.307 323 V C -0.784 175.431 176.094 0.202 0.000 1.051 323 V CA -0.972 61.277 62.300 -0.085 0.000 0.893 323 V CB 1.895 33.536 31.823 -0.303 0.000 0.999 323 V HN -0.150 nan 8.190 nan 0.000 0.426 324 Q N 2.828 122.754 119.800 0.210 0.000 2.316 324 Q HA 0.456 4.807 4.340 0.018 0.000 0.264 324 Q C -0.937 175.336 176.000 0.455 0.000 0.987 324 Q CA -0.213 55.825 55.803 0.393 0.000 0.852 324 Q CB 1.170 30.106 28.738 0.330 0.000 1.287 324 Q HN 0.837 nan 8.270 nan 0.000 0.448 325 H N 1.477 120.734 119.070 0.313 0.000 2.479 325 H HA 0.789 5.355 4.556 0.016 0.000 0.335 325 H C -1.059 174.561 175.328 0.487 0.000 1.142 325 H CA -0.950 55.324 56.048 0.376 0.000 1.234 325 H CB 1.887 31.812 29.762 0.272 0.000 1.503 325 H HN 0.721 nan 8.280 nan 0.000 0.510 326 A N 2.917 126.093 122.820 0.594 0.000 2.319 326 A HA 0.214 4.545 4.320 0.018 0.000 0.310 326 A C -0.440 177.487 177.584 0.572 0.000 1.152 326 A CA -0.688 51.687 52.037 0.562 0.000 0.783 326 A CB 1.162 20.418 19.000 0.426 0.000 1.184 326 A HN 0.717 nan 8.150 nan 0.000 0.474 327 D N 1.183 121.870 120.400 0.478 0.000 2.539 327 D HA 0.280 4.931 4.640 0.018 0.000 0.280 327 D C 1.747 178.010 176.300 -0.061 0.000 1.208 327 D CA -0.219 53.885 54.000 0.174 0.000 1.088 327 D CB 0.784 41.743 40.800 0.265 0.000 1.149 327 D HN 0.485 nan 8.370 nan 0.000 0.596 328 I N -1.145 119.225 120.570 -0.334 0.000 2.916 328 I HA -0.114 4.067 4.170 0.018 0.000 0.267 328 I C 1.162 176.998 176.117 -0.468 0.000 1.263 328 I CA 0.809 61.786 61.300 -0.537 0.000 1.471 328 I CB -0.418 37.177 38.000 -0.675 0.000 1.089 328 I HN 0.173 nan 8.210 nan 0.000 0.468 329 D N 2.076 122.338 120.400 -0.231 0.000 2.263 329 D HA -0.301 4.350 4.640 0.018 0.000 0.208 329 D C 2.043 178.000 176.300 -0.572 0.000 0.971 329 D CA 1.499 55.389 54.000 -0.184 0.000 0.867 329 D CB -0.927 39.928 40.800 0.093 0.000 0.929 329 D HN 0.756 nan 8.370 nan 0.000 0.492 330 Y N 0.581 120.346 120.300 -0.891 0.000 2.421 330 Y HA 0.133 4.693 4.550 0.017 0.000 0.292 330 Y C 1.336 176.822 175.900 -0.690 0.000 1.136 330 Y CA -0.427 56.727 58.100 -1.576 0.000 1.255 330 Y CB -0.680 37.063 38.460 -1.195 0.000 0.991 330 Y HN -0.202 nan 8.280 nan 0.000 0.552 331 M N 1.448 120.519 119.600 -0.882 0.000 2.198 331 M HA 0.026 4.517 4.480 0.018 0.000 0.315 331 M C -0.236 175.926 176.300 -0.231 0.000 1.134 331 M CA -0.082 54.891 55.300 -0.546 0.000 1.171 331 M CB 0.226 32.431 32.600 -0.658 0.000 1.413 331 M HN 0.052 nan 8.290 nan 0.000 0.467 332 D N 2.449 122.776 120.400 -0.121 0.000 2.374 332 D HA 0.016 4.667 4.640 0.018 0.000 0.240 332 D C -0.337 175.890 176.300 -0.122 0.000 1.229 332 D CA 0.408 54.363 54.000 -0.076 0.000 0.895 332 D CB 0.230 41.006 40.800 -0.040 0.000 1.046 332 D HN 0.485 nan 8.370 nan 0.000 0.498 333 E N 3.383 123.519 120.200 -0.107 0.000 2.320 333 E HA -0.292 4.069 4.350 0.018 0.000 0.234 333 E C 0.161 176.679 176.600 -0.136 0.000 1.183 333 E CA 0.438 56.774 56.400 -0.106 0.000 0.713 333 E CB -1.277 28.363 29.700 -0.100 0.000 1.226 333 E HN 0.786 nan 8.360 nan 0.000 0.382 334 R N -1.704 118.687 120.500 -0.181 0.000 3.758 334 R HA -0.239 4.112 4.340 0.018 0.000 0.299 334 R C 0.126 176.304 176.300 -0.204 0.000 1.182 334 R CA 1.464 57.442 56.100 -0.203 0.000 0.809 334 R CB -1.254 29.000 30.300 -0.077 0.000 1.249 334 R HN 0.290 nan 8.270 nan 0.000 0.497 335 R N 1.091 121.445 120.500 -0.244 0.000 2.346 335 R HA 0.181 4.532 4.340 0.018 0.000 0.311 335 R C -0.214 175.950 176.300 -0.228 0.000 0.983 335 R CA -1.038 54.924 56.100 -0.230 0.000 0.880 335 R CB 0.917 31.002 30.300 -0.359 0.000 1.100 335 R HN -0.034 nan 8.270 nan 0.000 0.453 336 D N 2.085 122.349 120.400 -0.227 0.000 2.449 336 D HA -0.058 4.593 4.640 0.018 0.000 0.236 336 D C 0.299 176.262 176.300 -0.562 0.000 1.149 336 D CA 0.829 54.461 54.000 -0.613 0.000 0.878 336 D CB 0.204 40.493 40.800 -0.852 0.000 1.198 336 D HN 0.418 nan 8.370 nan 0.000 0.446 337 F N -1.786 117.754 119.950 -0.683 0.000 3.018 337 F HA -0.250 4.288 4.527 0.017 0.000 0.287 337 F C 0.843 176.240 175.800 -0.672 0.000 0.813 337 F CA 0.737 58.056 58.000 -1.135 0.000 1.209 337 F CB -2.697 35.959 39.000 -0.574 0.000 1.321 337 F HN 0.312 nan 8.300 nan 0.000 0.477 338 T N -2.276 112.096 114.554 -0.305 0.000 2.901 338 T HA 0.806 5.168 4.350 0.018 0.000 0.293 338 T C -0.828 174.124 174.700 0.421 0.000 1.084 338 T CA -0.512 61.674 62.100 0.144 0.000 1.008 338 T CB 3.213 72.133 68.868 0.086 0.000 1.170 338 T HN 0.592 nan 8.240 nan 0.000 0.509 339 Y N -0.976 119.574 120.300 0.417 0.000 2.545 339 Y HA 0.700 5.265 4.550 0.024 0.000 0.348 339 Y C -0.728 175.286 175.900 0.190 0.000 1.002 339 Y CA -1.464 56.844 58.100 0.348 0.000 1.039 339 Y CB 1.104 39.898 38.460 0.556 0.000 1.271 339 Y HN 0.612 nan 8.280 nan 0.000 0.467 340 D N 1.860 122.416 120.400 0.259 0.000 2.342 340 D HA 0.029 4.680 4.640 0.018 0.000 0.260 340 D C 0.997 177.455 176.300 0.264 0.000 1.278 340 D CA 0.691 54.802 54.000 0.184 0.000 0.910 340 D CB 1.020 41.946 40.800 0.211 0.000 1.079 340 D HN 0.747 nan 8.370 nan 0.000 0.496 341 S N 2.051 117.803 115.700 0.087 0.000 2.507 341 S HA -0.077 4.404 4.470 0.018 0.000 0.235 341 S C 1.594 176.277 174.600 0.137 0.000 0.988 341 S CA 0.335 58.592 58.200 0.096 0.000 0.944 341 S CB 0.217 63.409 63.200 -0.013 0.000 0.762 341 S HN 0.323 nan 8.310 nan 0.000 0.526 342 V N 1.641 121.626 119.914 0.119 0.000 2.484 342 V HA 0.047 4.178 4.120 0.018 0.000 0.236 342 V C 2.112 178.255 176.094 0.081 0.000 1.062 342 V CA 1.260 63.611 62.300 0.085 0.000 1.081 342 V CB -0.537 31.317 31.823 0.052 0.000 0.751 342 V HN 0.319 nan 8.190 nan 0.000 0.484 343 D N -0.273 120.194 120.400 0.111 0.000 2.224 343 D HA -0.037 4.614 4.640 0.018 0.000 0.205 343 D C 0.974 177.208 176.300 -0.110 0.000 0.965 343 D CA 1.225 55.249 54.000 0.041 0.000 0.852 343 D CB 0.019 40.905 40.800 0.144 0.000 0.947 343 D HN 0.431 nan 8.370 nan 0.000 0.494 344 F N 0.598 120.561 119.950 0.023 0.000 2.855 344 F HA 0.200 4.756 4.527 0.048 0.000 0.317 344 F C 0.774 176.662 175.800 0.146 0.000 1.169 344 F CA -0.742 57.245 58.000 -0.022 0.000 1.299 344 F CB 0.177 39.065 39.000 -0.187 0.000 0.962 344 F HN -0.373 nan 8.300 nan 0.000 0.506 345 K N 0.486 121.009 120.400 0.205 0.000 2.451 345 K HA 0.328 4.659 4.320 0.018 0.000 0.280 345 K C 1.240 177.944 176.600 0.173 0.000 1.020 345 K CA 1.130 57.556 56.287 0.232 0.000 1.008 345 K CB 0.238 32.812 32.500 0.123 0.000 0.917 345 K HN 0.520 nan 8.250 nan 0.000 0.478 346 G N 4.217 113.149 108.800 0.220 0.000 2.136 346 G HA2 -0.268 3.703 3.960 0.018 0.000 0.242 346 G HA3 -0.268 3.703 3.960 0.018 0.000 0.242 346 G C 0.332 175.339 174.900 0.179 0.000 0.989 346 G CA 0.108 45.298 45.100 0.150 0.000 0.682 346 G HN 0.687 nan 8.290 nan 0.000 0.522 347 F N 1.948 121.852 119.950 -0.076 0.000 2.091 347 F HA 0.000 4.524 4.527 -0.006 0.000 0.299 347 F C 0.479 176.197 175.800 -0.137 0.000 1.103 347 F CA 1.856 59.758 58.000 -0.165 0.000 1.228 347 F CB -1.254 37.414 39.000 -0.553 0.000 0.984 347 F HN 0.281 nan 8.300 nan 0.000 0.477 348 P HA -0.169 nan 4.420 nan 0.000 0.216 348 P C 1.336 178.543 177.300 -0.155 0.000 1.150 348 P CA 2.040 65.004 63.100 -0.227 0.000 0.837 348 P CB -0.105 31.519 31.700 -0.127 0.000 0.786 349 E N -1.650 118.525 120.200 -0.042 0.000 2.106 349 E HA -0.167 4.194 4.350 0.018 0.000 0.192 349 E C 1.734 178.315 176.600 -0.031 0.000 0.984 349 E CA 0.739 57.121 56.400 -0.030 0.000 0.806 349 E CB -0.635 29.078 29.700 0.020 0.000 0.750 349 E HN 0.251 nan 8.360 nan 0.000 0.458 350 F N 1.050 120.933 119.950 -0.111 0.000 2.186 350 F HA -0.155 4.350 4.527 -0.036 0.000 0.299 350 F C 1.942 177.603 175.800 -0.232 0.000 1.090 350 F CA 0.824 58.761 58.000 -0.105 0.000 1.307 350 F CB -0.159 38.857 39.000 0.026 0.000 1.019 350 F HN -0.214 nan 8.300 nan 0.000 0.489 351 V N 1.174 120.817 119.914 -0.452 0.000 2.332 351 V HA -0.350 3.781 4.120 0.018 0.000 0.248 351 V C 2.191 177.808 176.094 -0.795 0.000 1.055 351 V CA 2.226 64.073 62.300 -0.755 0.000 1.038 351 V CB -0.937 30.468 31.823 -0.697 0.000 0.651 351 V HN 0.356 nan 8.190 nan 0.000 0.450 352 N N 0.163 118.581 118.700 -0.469 0.000 2.120 352 N HA -0.167 4.584 4.740 0.018 0.000 0.188 352 N C 1.826 177.161 175.510 -0.292 0.000 1.024 352 N CA 1.483 54.349 53.050 -0.307 0.000 0.852 352 N CB -0.295 38.087 38.487 -0.176 0.000 1.003 352 N HN 0.617 nan 8.380 nan 0.000 0.424 353 E N 0.517 120.522 120.200 -0.327 0.000 2.051 353 E HA -0.111 4.251 4.350 0.018 0.000 0.192 353 E C 2.041 178.417 176.600 -0.372 0.000 0.991 353 E CA 0.669 56.896 56.400 -0.288 0.000 0.799 353 E CB -0.180 29.376 29.700 -0.239 0.000 0.748 353 E HN 0.277 nan 8.360 nan 0.000 0.449 354 L N 0.272 121.128 121.223 -0.612 0.000 1.989 354 L HA -0.259 4.092 4.340 0.018 0.000 0.211 354 L C 2.436 179.117 176.870 -0.315 0.000 1.071 354 L CA 1.714 56.223 54.840 -0.552 0.000 0.749 354 L CB -0.644 40.988 42.059 -0.712 0.000 0.890 354 L HN 0.295 nan 8.230 nan 0.000 0.431 355 H N -0.786 118.081 119.070 -0.338 0.000 2.353 355 H HA -0.134 4.440 4.556 0.028 0.000 0.300 355 H C 1.987 177.184 175.328 -0.218 0.000 1.090 355 H CA 1.122 57.005 56.048 -0.274 0.000 1.327 355 H CB 0.078 29.690 29.762 -0.250 0.000 1.383 355 H HN 0.348 nan 8.280 nan 0.000 0.508 356 N N 0.579 119.231 118.700 -0.080 0.000 2.381 356 N HA -0.101 4.650 4.740 0.018 0.000 0.182 356 N C 0.912 176.363 175.510 -0.099 0.000 1.025 356 N CA 0.656 53.654 53.050 -0.088 0.000 0.888 356 N CB -0.117 38.316 38.487 -0.090 0.000 0.965 356 N HN 0.370 nan 8.380 nan 0.000 0.438 357 N N -0.043 118.578 118.700 -0.133 0.000 2.383 357 N HA 0.094 4.845 4.740 0.018 0.000 0.192 357 N C 0.763 176.194 175.510 -0.132 0.000 1.141 357 N CA 0.526 53.497 53.050 -0.132 0.000 0.851 357 N CB 0.321 38.708 38.487 -0.166 0.000 0.976 357 N HN 0.261 nan 8.380 nan 0.000 0.465 358 G N 0.705 109.428 108.800 -0.128 0.000 2.147 358 G HA2 -0.277 3.694 3.960 0.018 0.000 0.244 358 G HA3 -0.277 3.694 3.960 0.018 0.000 0.244 358 G C -0.044 174.754 174.900 -0.170 0.000 1.005 358 G CA 0.062 45.086 45.100 -0.126 0.000 0.713 358 G HN 0.393 nan 8.290 nan 0.000 0.515 359 Q N -0.798 118.873 119.800 -0.215 0.000 2.240 359 Q HA 0.721 5.072 4.340 0.018 0.000 0.260 359 Q C -0.158 175.666 176.000 -0.293 0.000 1.018 359 Q CA -0.896 54.737 55.803 -0.283 0.000 0.898 359 Q CB 1.311 29.830 28.738 -0.365 0.000 1.301 359 Q HN 0.102 nan 8.270 nan 0.000 0.469 360 K N 0.983 121.154 120.400 -0.382 0.000 2.328 360 K HA 0.511 4.842 4.320 0.018 0.000 0.246 360 K C -1.303 175.137 176.600 -0.268 0.000 0.955 360 K CA -0.939 55.069 56.287 -0.464 0.000 0.817 360 K CB 1.792 33.627 32.500 -1.108 0.000 1.208 360 K HN 0.390 nan 8.250 nan 0.000 0.432 361 L N 1.386 122.513 121.223 -0.160 0.000 2.313 361 L HA 0.437 4.788 4.340 0.018 0.000 0.283 361 L C -1.227 175.692 176.870 0.082 0.000 1.013 361 L CA -0.631 54.194 54.840 -0.024 0.000 0.816 361 L CB 1.751 43.777 42.059 -0.056 0.000 1.236 361 L HN 0.300 nan 8.230 nan 0.000 0.419 362 V N 6.450 126.410 119.914 0.077 0.000 2.448 362 V HA 0.472 4.603 4.120 0.018 0.000 0.295 362 V C 0.032 176.227 176.094 0.168 0.000 1.025 362 V CA -0.529 61.829 62.300 0.096 0.000 0.859 362 V CB 1.571 33.263 31.823 -0.218 0.000 0.988 362 V HN 0.749 nan 8.190 nan 0.000 0.431 363 I N 3.168 123.848 120.570 0.183 0.000 2.437 363 I HA 0.622 4.803 4.170 0.018 0.000 0.298 363 I C -0.105 176.147 176.117 0.225 0.000 0.984 363 I CA -0.484 60.909 61.300 0.154 0.000 1.214 363 I CB 1.519 39.467 38.000 -0.086 0.000 1.365 363 I HN 0.523 nan 8.210 nan 0.000 0.469 364 I N 6.019 126.717 120.570 0.212 0.000 2.575 364 I HA 0.381 4.562 4.170 0.018 0.000 0.285 364 I C -0.760 175.313 176.117 -0.074 0.000 1.085 364 I CA -0.238 60.956 61.300 -0.177 0.000 1.403 364 I CB 1.071 38.592 38.000 -0.798 0.000 1.409 364 I HN 0.472 nan 8.210 nan 0.000 0.557 365 V N 6.324 126.180 119.914 -0.096 0.000 2.686 365 V HA 0.396 4.527 4.120 0.018 0.000 0.306 365 V C -0.843 175.277 176.094 0.044 0.000 1.065 365 V CA -0.934 61.322 62.300 -0.074 0.000 0.894 365 V CB 1.877 33.713 31.823 0.022 0.000 1.004 365 V HN 0.617 nan 8.190 nan 0.000 0.424 366 D N 5.551 125.973 120.400 0.036 0.000 2.217 366 D HA 0.406 5.057 4.640 0.018 0.000 0.248 366 D C -1.636 174.833 176.300 0.282 0.000 1.008 366 D CA -1.494 52.588 54.000 0.137 0.000 0.914 366 D CB 2.620 43.486 40.800 0.110 0.000 1.182 366 D HN 0.263 nan 8.370 nan 0.000 0.451 367 P HA 0.004 nan 4.420 nan 0.000 0.221 367 P C 0.170 177.657 177.300 0.313 0.000 1.155 367 P CA 0.466 63.819 63.100 0.420 0.000 0.812 367 P CB 0.352 32.396 31.700 0.572 0.000 0.801 368 A N 0.914 123.796 122.820 0.102 0.000 2.440 368 A HA 0.402 4.734 4.320 0.018 0.000 0.251 368 A C 0.134 177.648 177.584 -0.118 0.000 1.089 368 A CA 0.112 52.001 52.037 -0.247 0.000 0.779 368 A CB -0.323 18.350 19.000 -0.545 0.000 1.022 368 A HN -0.013 nan 8.150 nan 0.000 0.492 369 I N 1.968 122.430 120.570 -0.180 0.000 2.389 369 I HA 0.209 4.390 4.170 0.018 0.000 0.288 369 I C 0.837 176.878 176.117 -0.127 0.000 0.999 369 I CA -0.198 61.140 61.300 0.064 0.000 1.129 369 I CB 1.257 39.436 38.000 0.298 0.000 1.288 369 I HN 0.690 nan 8.210 nan 0.000 0.444 370 S N 5.103 120.760 115.700 -0.072 0.000 2.563 370 S HA -0.046 4.435 4.470 0.018 0.000 0.294 370 S C 1.114 175.484 174.600 -0.382 0.000 1.279 370 S CA -0.058 57.971 58.200 -0.285 0.000 1.069 370 S CB 0.018 62.932 63.200 -0.477 0.000 0.828 370 S HN 0.684 nan 8.310 nan 0.000 0.497 371 N N 3.705 122.032 118.700 -0.622 0.000 2.276 371 N HA 0.020 4.771 4.740 0.018 0.000 0.212 371 N C -0.453 174.550 175.510 -0.845 0.000 1.127 371 N CA -0.255 52.060 53.050 -1.224 0.000 0.834 371 N CB -0.337 37.596 38.487 -0.923 0.000 1.014 371 N HN 0.394 nan 8.380 nan 0.000 0.491 372 N N 0.613 119.033 118.700 -0.465 0.000 2.521 372 N HA 0.155 4.907 4.740 0.018 0.000 0.236 372 N C -1.557 173.889 175.510 -0.106 0.000 1.067 372 N CA 0.083 52.981 53.050 -0.254 0.000 0.939 372 N CB 0.509 38.869 38.487 -0.211 0.000 1.201 372 N HN 0.191 nan 8.380 nan 0.000 0.511 373 S N 1.444 117.134 115.700 -0.017 0.000 2.536 373 S HA 0.732 5.213 4.470 0.018 0.000 0.271 373 S C -1.124 173.544 174.600 0.113 0.000 1.134 373 S CA -0.523 57.762 58.200 0.142 0.000 0.897 373 S CB 0.646 64.056 63.200 0.349 0.000 1.094 373 S HN 0.575 nan 8.310 nan 0.000 0.473 374 S N 2.265 118.025 115.700 0.101 0.000 2.685 374 S HA 0.567 5.048 4.470 0.018 0.000 0.282 374 S C 0.734 175.379 174.600 0.075 0.000 1.159 374 S CA -0.544 57.702 58.200 0.076 0.000 0.833 374 S CB 0.995 64.222 63.200 0.045 0.000 1.151 374 S HN 0.510 nan 8.310 nan 0.000 0.485 375 S N 1.157 116.892 115.700 0.058 0.000 2.368 375 S HA -0.111 4.370 4.470 0.018 0.000 0.225 375 S C 2.048 176.675 174.600 0.045 0.000 1.030 375 S CA 1.588 59.817 58.200 0.050 0.000 0.999 375 S CB -0.703 62.520 63.200 0.038 0.000 0.844 375 S HN 0.751 nan 8.310 nan 0.000 0.459 376 S N 0.903 116.626 115.700 0.038 0.000 2.365 376 S HA -0.103 4.378 4.470 0.018 0.000 0.221 376 S C 0.754 175.377 174.600 0.038 0.000 1.037 376 S CA 1.354 59.573 58.200 0.032 0.000 1.060 376 S CB -0.086 63.129 63.200 0.024 0.000 0.974 376 S HN 0.306 nan 8.310 nan 0.000 0.427 377 K N 2.146 122.574 120.400 0.046 0.000 2.579 377 K HA 0.453 4.784 4.320 0.018 0.000 0.225 377 K C -2.850 173.806 176.600 0.093 0.000 0.992 377 K CA -2.531 53.791 56.287 0.058 0.000 1.018 377 K CB 1.873 34.397 32.500 0.040 0.000 1.249 377 K HN 0.244 nan 8.250 nan 0.000 0.489 378 P HA -0.018 nan 4.420 nan 0.000 0.272 378 P C -1.206 176.232 177.300 0.230 0.000 1.223 378 P CA -0.250 62.940 63.100 0.150 0.000 0.784 378 P CB 0.517 32.284 31.700 0.112 0.000 0.923 379 Y N 1.312 121.685 120.300 0.122 0.000 2.555 379 Y HA 0.448 5.008 4.550 0.017 0.000 0.326 379 Y C 1.400 177.422 175.900 0.203 0.000 0.984 379 Y CA -0.470 57.713 58.100 0.139 0.000 1.298 379 Y CB 0.556 39.087 38.460 0.117 0.000 1.094 379 Y HN 0.539 nan 8.280 nan 0.000 0.500 380 G N 5.607 114.324 108.800 -0.138 0.000 2.529 380 G HA2 -0.241 3.730 3.960 0.018 0.000 0.219 380 G HA3 -0.241 3.730 3.960 0.018 0.000 0.219 380 G C -0.866 173.941 174.900 -0.156 0.000 1.177 380 G CA 0.970 45.998 45.100 -0.120 0.000 0.773 380 G HN 0.560 nan 8.290 nan 0.000 0.573 381 P HA -0.134 nan 4.420 nan 0.000 0.216 381 P C 1.416 178.940 177.300 0.373 0.000 1.150 381 P CA 0.980 64.092 63.100 0.020 0.000 0.837 381 P CB -0.109 31.603 31.700 0.020 0.000 0.786 382 Y N 1.038 121.367 120.300 0.049 0.000 2.163 382 Y HA -0.181 4.380 4.550 0.018 0.000 0.288 382 Y C 1.797 177.876 175.900 0.298 0.000 1.136 382 Y CA 1.686 59.984 58.100 0.331 0.000 1.147 382 Y CB -0.941 37.698 38.460 0.298 0.000 0.987 382 Y HN -0.135 nan 8.280 nan 0.000 0.509 383 D N 0.035 120.487 120.400 0.086 0.000 2.106 383 D HA -0.192 4.459 4.640 0.018 0.000 0.191 383 D C 2.275 178.537 176.300 -0.064 0.000 0.997 383 D CA 1.744 55.726 54.000 -0.030 0.000 0.834 383 D CB -0.352 40.482 40.800 0.056 0.000 0.956 383 D HN 0.393 nan 8.370 nan 0.000 0.448 384 R N 0.194 120.710 120.500 0.026 0.000 2.081 384 R HA -0.028 4.323 4.340 0.018 0.000 0.235 384 R C 2.463 178.703 176.300 -0.099 0.000 1.131 384 R CA 1.241 57.370 56.100 0.047 0.000 0.960 384 R CB -0.574 29.825 30.300 0.166 0.000 0.856 384 R HN 0.190 nan 8.270 nan 0.000 0.436 385 G N 0.076 108.711 108.800 -0.274 0.000 2.422 385 G HA2 -0.232 3.739 3.960 0.018 0.000 0.218 385 G HA3 -0.232 3.739 3.960 0.018 0.000 0.218 385 G C 1.420 175.652 174.900 -1.112 0.000 1.146 385 G CA 0.736 45.031 45.100 -1.342 0.000 0.769 385 G HN 0.221 nan 8.290 nan 0.000 0.547 386 S N 0.863 116.274 115.700 -0.481 0.000 2.368 386 S HA -0.073 4.409 4.470 0.018 0.000 0.224 386 S C 1.994 176.426 174.600 -0.281 0.000 1.029 386 S CA 1.215 59.249 58.200 -0.277 0.000 0.988 386 S CB -0.239 62.795 63.200 -0.278 0.000 0.838 386 S HN 0.325 nan 8.310 nan 0.000 0.462 387 D N 1.552 121.809 120.400 -0.237 0.000 2.123 387 D HA -0.068 4.583 4.640 0.018 0.000 0.196 387 D C 1.607 177.787 176.300 -0.200 0.000 0.992 387 D CA 1.178 55.078 54.000 -0.166 0.000 0.833 387 D CB -0.227 40.506 40.800 -0.111 0.000 0.954 387 D HN 0.393 nan 8.370 nan 0.000 0.455 388 M N -0.432 118.990 119.600 -0.297 0.000 2.556 388 M HA 0.058 4.549 4.480 0.018 0.000 0.245 388 M C -0.090 175.986 176.300 -0.374 0.000 1.128 388 M CA 0.285 55.406 55.300 -0.299 0.000 1.069 388 M CB 0.226 32.654 32.600 -0.288 0.000 1.469 388 M HN -0.166 nan 8.290 nan 0.000 0.494 389 K N 0.849 120.966 120.400 -0.471 0.000 3.125 389 K HA -0.172 4.159 4.320 0.018 0.000 0.268 389 K C -0.068 176.236 176.600 -0.493 0.000 1.078 389 K CA 0.344 56.385 56.287 -0.410 0.000 0.775 389 K CB -2.177 30.196 32.500 -0.212 0.000 1.253 389 K HN 0.425 nan 8.250 nan 0.000 0.486 390 I N -3.766 116.288 120.570 -0.860 0.000 3.914 390 I HA 0.210 4.391 4.170 0.018 0.000 0.333 390 I C 0.305 176.003 176.117 -0.699 0.000 1.449 390 I CA -0.562 60.285 61.300 -0.756 0.000 1.135 390 I CB -0.205 37.313 38.000 -0.804 0.000 1.073 390 I HN 0.163 nan 8.210 nan 0.000 0.401 391 W N 0.193 121.322 121.300 -0.285 0.000 2.283 391 W HA 0.598 5.269 4.660 0.017 0.000 0.341 391 W C 0.215 176.676 176.519 -0.097 0.000 1.206 391 W CA -1.445 55.781 57.345 -0.197 0.000 1.294 391 W CB 0.571 29.953 29.460 -0.130 0.000 1.154 391 W HN -0.305 nan 8.180 nan 0.000 0.613 392 V N 3.522 123.596 119.914 0.266 0.000 2.585 392 V HA -0.070 4.061 4.120 0.018 0.000 0.296 392 V C 0.248 176.441 176.094 0.166 0.000 1.035 392 V CA -0.168 62.239 62.300 0.178 0.000 1.084 392 V CB -0.556 31.377 31.823 0.184 0.000 0.953 392 V HN 0.452 nan 8.190 nan 0.000 0.483 393 N N 2.526 121.293 118.700 0.113 0.000 2.489 393 N HA 0.394 5.145 4.740 0.018 0.000 0.284 393 N C 0.107 175.657 175.510 0.067 0.000 1.158 393 N CA -0.418 52.687 53.050 0.093 0.000 0.965 393 N CB 1.391 39.922 38.487 0.073 0.000 1.195 393 N HN 0.656 nan 8.380 nan 0.000 0.506 394 S N -0.220 115.512 115.700 0.052 0.000 2.598 394 S HA -0.020 4.461 4.470 0.018 0.000 0.256 394 S C 1.592 176.209 174.600 0.029 0.000 1.350 394 S CA -0.346 57.873 58.200 0.031 0.000 0.984 394 S CB 0.342 63.554 63.200 0.021 0.000 0.930 394 S HN 0.693 nan 8.310 nan 0.000 0.577 395 S N 1.107 116.818 115.700 0.017 0.000 2.442 395 S HA -0.184 4.297 4.470 0.018 0.000 0.236 395 S C 1.342 175.952 174.600 0.018 0.000 1.007 395 S CA 1.453 59.663 58.200 0.017 0.000 0.965 395 S CB -0.676 62.527 63.200 0.005 0.000 0.773 395 S HN 0.831 nan 8.310 nan 0.000 0.504 396 D N 1.281 121.691 120.400 0.016 0.000 2.351 396 D HA 0.053 4.704 4.640 0.018 0.000 0.216 396 D C 1.605 177.919 176.300 0.024 0.000 0.968 396 D CA 1.090 55.100 54.000 0.017 0.000 0.899 396 D CB -1.211 39.597 40.800 0.014 0.000 0.907 396 D HN 0.747 nan 8.370 nan 0.000 0.514 397 G N -0.638 108.180 108.800 0.030 0.000 2.179 397 G HA2 -0.303 3.669 3.960 0.018 0.000 0.260 397 G HA3 -0.303 3.669 3.960 0.018 0.000 0.260 397 G C 0.945 175.867 174.900 0.036 0.000 0.977 397 G CA 1.242 46.363 45.100 0.036 0.000 0.641 397 G HN 1.106 nan 8.290 nan 0.000 0.533 398 V N -4.258 115.677 119.914 0.035 0.000 3.359 398 V HA 0.458 4.589 4.120 0.018 0.000 0.270 398 V C 0.678 176.799 176.094 0.045 0.000 1.583 398 V CA 1.012 63.333 62.300 0.034 0.000 1.019 398 V CB 0.600 32.438 31.823 0.025 0.000 0.831 398 V HN 0.336 nan 8.190 nan 0.000 0.426 399 T N 4.104 118.686 114.554 0.047 0.000 2.749 399 T HA 0.527 4.888 4.350 0.018 0.000 0.287 399 T C -2.773 171.969 174.700 0.071 0.000 0.970 399 T CA -1.134 60.998 62.100 0.053 0.000 0.980 399 T CB 1.413 70.303 68.868 0.035 0.000 0.924 399 T HN 0.208 nan 8.240 nan 0.000 0.456 400 P HA 0.065 nan 4.420 nan 0.000 0.262 400 P C -0.028 177.309 177.300 0.061 0.000 1.182 400 P CA -0.404 62.764 63.100 0.113 0.000 0.761 400 P CB 0.403 32.168 31.700 0.109 0.000 0.795 401 L N 4.769 126.045 121.223 0.088 0.000 2.455 401 L HA 0.146 4.497 4.340 0.018 0.000 0.272 401 L C -0.235 176.695 176.870 0.100 0.000 1.174 401 L CA 0.191 55.082 54.840 0.085 0.000 0.869 401 L CB 0.018 42.132 42.059 0.092 0.000 1.130 401 L HN 0.212 nan 8.230 nan 0.000 0.474 402 I N 5.376 125.980 120.570 0.057 0.000 2.354 402 I HA 0.495 4.676 4.170 0.018 0.000 0.292 402 I C 0.668 176.845 176.117 0.100 0.000 0.989 402 I CA -0.166 61.147 61.300 0.021 0.000 1.188 402 I CB 0.578 38.551 38.000 -0.045 0.000 1.342 402 I HN 0.713 nan 8.210 nan 0.000 0.457 403 G N 5.460 114.368 108.800 0.180 0.000 3.262 403 G HA2 0.704 4.675 3.960 0.018 0.000 0.229 403 G HA3 0.704 4.675 3.960 0.018 0.000 0.229 403 G C -1.056 173.855 174.900 0.018 0.000 1.280 403 G CA -0.372 44.855 45.100 0.212 0.000 0.951 403 G HN 0.512 nan 8.290 nan 0.000 0.589 404 E N -0.979 119.224 120.200 0.005 0.000 2.291 404 E HA 0.520 4.881 4.350 0.018 0.000 0.276 404 E C -0.939 175.440 176.600 -0.369 0.000 0.896 404 E CA -0.529 55.797 56.400 -0.122 0.000 0.774 404 E CB 2.685 32.383 29.700 -0.004 0.000 1.227 404 E HN 0.273 nan 8.360 nan 0.000 0.413 405 V N 0.694 120.280 119.914 -0.546 0.000 4.504 405 V HA 0.284 4.415 4.120 0.018 0.000 0.298 405 V C 0.557 176.285 176.094 -0.611 0.000 1.446 405 V CA -0.905 60.686 62.300 -1.180 0.000 0.890 405 V CB 0.086 31.357 31.823 -0.920 0.000 1.281 405 V HN 0.857 nan 8.190 nan 0.000 0.461 406 W N 1.033 122.158 121.300 -0.291 0.000 2.318 406 W HA -0.077 4.598 4.660 0.024 0.000 0.313 406 W C -0.389 176.100 176.519 -0.051 0.000 1.221 406 W CA 1.782 59.124 57.345 -0.006 0.000 1.266 406 W CB -1.324 28.110 29.460 -0.044 0.000 1.150 406 W HN 0.496 nan 8.180 nan 0.000 0.496 407 P HA 0.211 nan 4.420 nan 0.000 0.245 407 P C 0.731 177.991 177.300 -0.067 0.000 1.212 407 P CA 1.752 64.828 63.100 -0.040 0.000 0.774 407 P CB 0.391 31.998 31.700 -0.156 0.000 0.999 408 G N -0.017 108.756 108.800 -0.045 0.000 2.443 408 G HA2 -0.163 3.808 3.960 0.018 0.000 0.209 408 G HA3 -0.163 3.808 3.960 0.018 0.000 0.209 408 G C -1.008 173.810 174.900 -0.138 0.000 1.176 408 G CA -0.761 44.299 45.100 -0.065 0.000 1.074 408 G HN 0.251 nan 8.290 nan 0.000 0.577 409 Q N 1.222 120.931 119.800 -0.151 0.000 2.364 409 Q HA 0.483 4.834 4.340 0.018 0.000 0.267 409 Q C 0.380 176.204 176.000 -0.293 0.000 0.999 409 Q CA 1.131 56.820 55.803 -0.189 0.000 0.886 409 Q CB 0.747 29.384 28.738 -0.169 0.000 1.243 409 Q HN 0.948 nan 8.270 nan 0.000 0.415 410 T N -2.061 112.276 114.554 -0.361 0.000 2.868 410 T HA 0.650 5.011 4.350 0.018 0.000 0.306 410 T C -0.256 174.048 174.700 -0.660 0.000 1.224 410 T CA -0.952 60.821 62.100 -0.545 0.000 1.012 410 T CB 1.093 69.543 68.868 -0.697 0.000 1.221 410 T HN 0.394 nan 8.240 nan 0.000 0.499 411 V N -1.086 118.363 119.914 -0.775 0.000 3.193 411 V HA 0.919 5.050 4.120 0.018 0.000 0.320 411 V C -1.134 174.427 176.094 -0.889 0.000 1.112 411 V CA -1.302 60.532 62.300 -0.777 0.000 1.026 411 V CB 0.983 32.166 31.823 -1.065 0.000 1.128 411 V HN 0.863 nan 8.190 nan 0.000 0.452 412 F N 0.215 120.069 119.950 -0.161 0.000 2.518 412 F HA 0.681 5.219 4.527 0.019 0.000 0.323 412 F C -2.567 173.372 175.800 0.231 0.000 1.129 412 F CA -2.387 55.642 58.000 0.049 0.000 0.920 412 F CB 2.118 41.118 39.000 0.001 0.000 1.160 412 F HN 0.298 nan 8.300 nan 0.000 0.440 413 P HA 0.027 nan 4.420 nan 0.000 0.271 413 P C -0.806 176.321 177.300 -0.287 0.000 1.216 413 P CA -0.091 62.929 63.100 -0.133 0.000 0.776 413 P CB 0.653 31.951 31.700 -0.670 0.000 0.881 414 D N 1.972 122.172 120.400 -0.335 0.000 2.479 414 D HA 0.084 4.735 4.640 0.018 0.000 0.218 414 D C -0.033 176.000 176.300 -0.445 0.000 1.131 414 D CA -0.307 53.533 54.000 -0.266 0.000 0.916 414 D CB -0.282 40.430 40.800 -0.146 0.000 1.022 414 D HN 0.257 nan 8.370 nan 0.000 0.515 415 Y N 1.094 121.145 120.300 -0.416 0.000 2.616 415 Y HA -0.065 4.496 4.550 0.018 0.000 0.296 415 Y C 2.580 178.139 175.900 -0.568 0.000 1.154 415 Y CA 1.057 58.863 58.100 -0.488 0.000 1.325 415 Y CB -0.182 37.898 38.460 -0.633 0.000 1.007 415 Y HN 0.431 nan 8.280 nan 0.000 0.542 416 T N -2.656 111.560 114.554 -0.563 0.000 3.055 416 T HA -0.074 4.287 4.350 0.018 0.000 0.265 416 T C 0.782 175.204 174.700 -0.463 0.000 1.111 416 T CA 0.197 61.710 62.100 -0.979 0.000 1.118 416 T CB -0.350 67.609 68.868 -1.516 0.000 0.909 416 T HN 0.067 nan 8.240 nan 0.000 0.501 417 N N 2.943 121.460 118.700 -0.304 0.000 2.408 417 N HA 0.213 4.964 4.740 0.018 0.000 0.257 417 N C -1.580 173.795 175.510 -0.225 0.000 1.064 417 N CA -2.511 50.355 53.050 -0.306 0.000 0.952 417 N CB 1.749 40.062 38.487 -0.290 0.000 1.093 417 N HN 0.041 nan 8.380 nan 0.000 0.490 418 P HA -0.135 nan 4.420 nan 0.000 0.217 418 P C 0.555 177.814 177.300 -0.067 0.000 1.148 418 P CA 1.077 64.128 63.100 -0.082 0.000 0.828 418 P CB 0.459 32.131 31.700 -0.046 0.000 0.783 419 N N -0.609 118.022 118.700 -0.115 0.000 2.289 419 N HA -0.113 4.638 4.740 0.018 0.000 0.184 419 N C 1.944 177.432 175.510 -0.036 0.000 1.016 419 N CA 0.658 53.660 53.050 -0.081 0.000 0.872 419 N CB -1.375 37.033 38.487 -0.131 0.000 0.973 419 N HN 0.193 nan 8.380 nan 0.000 0.433 420 C N 0.693 119.945 119.300 -0.081 0.000 2.425 420 C HA 0.072 4.544 4.460 0.018 0.000 0.277 420 C C 2.675 177.802 174.990 0.230 0.000 1.280 420 C CA 1.107 60.121 59.018 -0.006 0.000 1.744 420 C CB -1.206 26.409 27.740 -0.208 0.000 1.989 420 C HN 0.471 nan 8.230 nan 0.000 0.491 421 A N -0.183 122.726 122.820 0.147 0.000 1.972 421 A HA -0.042 4.289 4.320 0.018 0.000 0.219 421 A C 2.271 179.992 177.584 0.227 0.000 1.169 421 A CA 2.131 54.307 52.037 0.231 0.000 0.635 421 A CB -0.630 18.441 19.000 0.119 0.000 0.810 421 A HN 0.480 nan 8.150 nan 0.000 0.446 422 V N -1.915 118.088 119.914 0.149 0.000 2.307 422 V HA -0.241 3.890 4.120 0.018 0.000 0.245 422 V C 2.185 178.361 176.094 0.136 0.000 1.045 422 V CA 1.753 64.118 62.300 0.107 0.000 1.024 422 V CB -1.064 30.794 31.823 0.058 0.000 0.651 422 V HN 0.912 nan 8.190 nan 0.000 0.449 423 W N -0.069 121.233 121.300 0.005 0.000 2.335 423 W HA -0.241 4.431 4.660 0.020 0.000 0.311 423 W C 2.513 179.098 176.519 0.110 0.000 1.213 423 W CA 1.842 59.179 57.345 -0.014 0.000 1.274 423 W CB -0.477 28.913 29.460 -0.117 0.000 1.148 423 W HN 0.384 nan 8.180 nan 0.000 0.498 424 W N 1.120 122.265 121.300 -0.258 0.000 2.379 424 W HA -0.229 4.443 4.660 0.021 0.000 0.307 424 W C 2.032 178.459 176.519 -0.153 0.000 1.200 424 W CA 2.175 59.273 57.345 -0.412 0.000 1.297 424 W CB -0.642 28.922 29.460 0.172 0.000 1.140 424 W HN -0.214 nan 8.180 nan 0.000 0.507 425 T N 0.904 115.513 114.554 0.091 0.000 2.684 425 T HA -0.301 4.060 4.350 0.018 0.000 0.267 425 T C 1.621 176.252 174.700 -0.115 0.000 1.036 425 T CA 2.277 64.375 62.100 -0.004 0.000 1.148 425 T CB -0.437 68.441 68.868 0.018 0.000 0.863 425 T HN -0.041 nan 8.240 nan 0.000 0.436 426 K N 1.235 121.530 120.400 -0.176 0.000 2.147 426 K HA -0.090 4.241 4.320 0.018 0.000 0.205 426 K C 2.180 178.556 176.600 -0.374 0.000 1.049 426 K CA 1.189 57.346 56.287 -0.216 0.000 0.936 426 K CB -0.206 32.196 32.500 -0.162 0.000 0.722 426 K HN 0.176 nan 8.250 nan 0.000 0.446 427 E N -0.266 119.512 120.200 -0.704 0.000 2.077 427 E HA -0.158 4.203 4.350 0.018 0.000 0.193 427 E C 1.971 177.967 176.600 -1.006 0.000 0.989 427 E CA 1.126 56.829 56.400 -1.161 0.000 0.800 427 E CB -0.358 28.083 29.700 -2.099 0.000 0.746 427 E HN 0.341 nan 8.360 nan 0.000 0.452 428 F N 1.717 121.261 119.950 -0.678 0.000 2.186 428 F HA -0.105 4.432 4.527 0.017 0.000 0.299 428 F C 2.355 178.147 175.800 -0.014 0.000 1.090 428 F CA 1.107 58.995 58.000 -0.186 0.000 1.307 428 F CB -0.147 38.745 39.000 -0.180 0.000 1.019 428 F HN 0.046 nan 8.300 nan 0.000 0.489 429 E N 0.294 120.507 120.200 0.022 0.000 2.031 429 E HA -0.208 4.154 4.350 0.018 0.000 0.193 429 E C 2.319 178.930 176.600 0.018 0.000 0.994 429 E CA 1.384 57.771 56.400 -0.022 0.000 0.800 429 E CB -0.472 29.181 29.700 -0.077 0.000 0.752 429 E HN 0.364 nan 8.360 nan 0.000 0.447 430 L N 0.127 121.332 121.223 -0.031 0.000 2.013 430 L HA -0.213 4.138 4.340 0.018 0.000 0.212 430 L C 2.515 179.476 176.870 0.153 0.000 1.073 430 L CA 1.068 55.915 54.840 0.013 0.000 0.753 430 L CB -0.416 41.606 42.059 -0.061 0.000 0.890 430 L HN 0.130 nan 8.230 nan 0.000 0.432 431 F N -0.365 119.607 119.950 0.038 0.000 2.186 431 F HA -0.201 4.337 4.527 0.019 0.000 0.299 431 F C 2.693 178.674 175.800 0.302 0.000 1.090 431 F CA 1.476 59.611 58.000 0.226 0.000 1.307 431 F CB -0.507 38.710 39.000 0.362 0.000 1.019 431 F HN 0.141 nan 8.300 nan 0.000 0.489 432 H N -0.110 119.041 119.070 0.135 0.000 2.491 432 H HA -0.091 4.479 4.556 0.022 0.000 0.290 432 H C 1.490 176.672 175.328 -0.244 0.000 1.050 432 H CA 1.119 57.019 56.048 -0.246 0.000 1.309 432 H CB 0.009 29.481 29.762 -0.483 0.000 1.392 432 H HN 0.206 nan 8.280 nan 0.000 0.554 433 N N 0.745 119.390 118.700 -0.092 0.000 2.289 433 N HA -0.123 4.628 4.740 0.018 0.000 0.184 433 N C 1.776 177.201 175.510 -0.142 0.000 1.016 433 N CA 0.962 53.943 53.050 -0.115 0.000 0.872 433 N CB -0.096 38.370 38.487 -0.034 0.000 0.973 433 N HN 0.637 nan 8.380 nan 0.000 0.433 434 Q N -0.500 119.215 119.800 -0.142 0.000 2.226 434 Q HA 0.182 4.533 4.340 0.018 0.000 0.199 434 Q C -0.191 175.650 176.000 -0.265 0.000 0.945 434 Q CA 0.556 56.300 55.803 -0.100 0.000 0.861 434 Q CB 0.913 29.689 28.738 0.063 0.000 0.953 434 Q HN -0.002 nan 8.270 nan 0.000 0.490 435 V N 2.059 121.677 119.914 -0.494 0.000 2.443 435 V HA 0.153 4.284 4.120 0.018 0.000 0.293 435 V C -0.678 175.055 176.094 -0.602 0.000 1.021 435 V CA -0.467 61.475 62.300 -0.596 0.000 0.848 435 V CB 1.645 33.011 31.823 -0.761 0.000 0.998 435 V HN 0.174 nan 8.190 nan 0.000 0.424 436 E N 5.084 124.914 120.200 -0.617 0.000 2.122 436 E HA 0.206 4.567 4.350 0.018 0.000 0.288 436 E C -0.233 176.177 176.600 -0.317 0.000 1.260 436 E CA -0.284 55.641 56.400 -0.792 0.000 1.344 436 E CB 0.154 29.563 29.700 -0.484 0.000 1.337 436 E HN 0.672 nan 8.360 nan 0.000 0.484 437 F N -0.777 119.164 119.950 -0.014 0.000 2.490 437 F HA 0.143 4.678 4.527 0.014 0.000 0.336 437 F C 0.857 176.922 175.800 0.441 0.000 1.178 437 F CA -0.313 57.786 58.000 0.165 0.000 1.301 437 F CB 0.637 39.752 39.000 0.192 0.000 1.175 437 F HN -0.046 nan 8.300 nan 0.000 0.593 438 D N 0.070 120.729 120.400 0.431 0.000 2.423 438 D HA 0.266 4.917 4.640 0.018 0.000 0.208 438 D C 0.680 177.035 176.300 0.091 0.000 1.068 438 D CA 0.630 54.703 54.000 0.123 0.000 0.860 438 D CB 1.138 41.802 40.800 -0.227 0.000 0.992 438 D HN 0.766 nan 8.370 nan 0.000 0.504 439 G N 0.292 109.364 108.800 0.453 0.000 2.608 439 G HA2 0.608 4.579 3.960 0.018 0.000 0.291 439 G HA3 0.608 4.579 3.960 0.018 0.000 0.291 439 G C -1.722 173.446 174.900 0.447 0.000 1.425 439 G CA -0.636 44.743 45.100 0.466 0.000 0.787 439 G HN -0.020 nan 8.290 nan 0.000 0.484 440 I N -0.122 120.636 120.570 0.312 0.000 2.533 440 I HA 0.400 4.581 4.170 0.018 0.000 0.290 440 I C -1.452 174.805 176.117 0.233 0.000 1.056 440 I CA -0.623 60.814 61.300 0.227 0.000 1.057 440 I CB 2.710 40.792 38.000 0.138 0.000 1.240 440 I HN 0.563 nan 8.210 nan 0.000 0.423 441 W N 9.225 130.554 121.300 0.048 0.000 2.296 441 W HA 0.607 5.275 4.660 0.014 0.000 0.316 441 W C -1.024 175.546 176.519 0.085 0.000 1.022 441 W CA -1.879 55.471 57.345 0.009 0.000 1.324 441 W CB 0.743 30.199 29.460 -0.006 0.000 1.227 441 W HN 0.331 nan 8.180 nan 0.000 0.409 442 I N 3.928 124.706 120.570 0.346 0.000 2.315 442 I HA 0.507 4.688 4.170 0.018 0.000 0.291 442 I C -0.473 175.815 176.117 0.285 0.000 1.006 442 I CA -0.278 61.170 61.300 0.247 0.000 1.265 442 I CB 1.313 39.458 38.000 0.242 0.000 1.387 442 I HN 0.260 nan 8.210 nan 0.000 0.475 443 D N 5.688 126.178 120.400 0.150 0.000 2.493 443 D HA 0.509 5.160 4.640 0.018 0.000 0.239 443 D C 0.360 176.780 176.300 0.199 0.000 1.049 443 D CA -0.326 53.812 54.000 0.231 0.000 1.008 443 D CB 1.382 42.183 40.800 0.002 0.000 1.398 443 D HN 0.646 nan 8.370 nan 0.000 0.513 444 M N 0.747 120.472 119.600 0.208 0.000 2.751 444 M HA -0.217 4.274 4.480 0.018 0.000 0.199 444 M C -0.247 176.124 176.300 0.118 0.000 0.550 444 M CA 0.481 55.873 55.300 0.153 0.000 0.640 444 M CB -2.838 29.835 32.600 0.122 0.000 2.351 444 M HN 0.586 nan 8.290 nan 0.000 0.613 445 N N -0.654 118.134 118.700 0.147 0.000 2.380 445 N HA 0.285 5.036 4.740 0.018 0.000 0.255 445 N C 0.652 176.231 175.510 0.114 0.000 1.158 445 N CA -0.096 53.063 53.050 0.181 0.000 0.878 445 N CB 0.251 38.889 38.487 0.252 0.000 1.138 445 N HN 0.237 nan 8.380 nan 0.000 0.509 446 E N -0.205 119.998 120.200 0.005 0.000 2.152 446 E HA -0.006 4.355 4.350 0.018 0.000 0.192 446 E C 0.380 176.732 176.600 -0.412 0.000 0.983 446 E CA 0.409 56.747 56.400 -0.104 0.000 0.818 446 E CB 0.184 29.880 29.700 -0.008 0.000 0.758 446 E HN 0.288 nan 8.360 nan 0.000 0.467 447 V N 0.190 119.795 119.914 -0.515 0.000 2.607 447 V HA 0.243 4.374 4.120 0.018 0.000 0.289 447 V C -0.061 175.908 176.094 -0.210 0.000 1.053 447 V CA -0.464 61.571 62.300 -0.441 0.000 0.996 447 V CB 1.775 33.012 31.823 -0.976 0.000 0.995 447 V HN 0.102 nan 8.190 nan 0.000 0.476 448 S N 5.248 120.896 115.700 -0.086 0.000 2.523 448 S HA 0.392 4.873 4.470 0.018 0.000 0.275 448 S C -0.352 174.201 174.600 -0.078 0.000 1.281 448 S CA -0.431 57.757 58.200 -0.019 0.000 1.050 448 S CB 0.080 63.311 63.200 0.052 0.000 0.937 448 S HN 0.885 nan 8.310 nan 0.000 0.492 449 N N 3.557 122.242 118.700 -0.025 0.000 2.295 449 N HA 0.388 5.139 4.740 0.018 0.000 0.293 449 N C -0.301 175.299 175.510 0.149 0.000 1.040 449 N CA -0.774 52.264 53.050 -0.019 0.000 0.840 449 N CB 0.646 39.103 38.487 -0.051 0.000 1.468 449 N HN 0.446 nan 8.380 nan 0.000 0.478 450 F N 0.813 120.731 119.950 -0.053 0.000 2.710 450 F HA 0.075 4.613 4.527 0.017 0.000 0.298 450 F C 1.052 176.837 175.800 -0.025 0.000 1.137 450 F CA 0.023 57.981 58.000 -0.071 0.000 1.444 450 F CB -0.579 38.349 39.000 -0.120 0.000 1.111 450 F HN 0.265 nan 8.300 nan 0.000 0.580 451 V N -2.755 117.263 119.914 0.173 0.000 2.881 451 V HA 0.507 4.638 4.120 0.018 0.000 0.316 451 V C -0.378 175.777 176.094 0.101 0.000 1.070 451 V CA -1.163 61.201 62.300 0.107 0.000 0.976 451 V CB 1.870 33.735 31.823 0.070 0.000 1.038 451 V HN -0.221 nan 8.190 nan 0.000 0.446 452 D N 1.958 122.420 120.400 0.104 0.000 2.339 452 D HA 0.537 5.188 4.640 0.018 0.000 0.241 452 D C 1.050 177.433 176.300 0.138 0.000 1.183 452 D CA 1.429 55.538 54.000 0.182 0.000 0.859 452 D CB 0.828 41.783 40.800 0.258 0.000 1.067 452 D HN 1.267 nan 8.370 nan 0.000 0.484 453 G N 2.784 111.661 108.800 0.129 0.000 5.045 453 G HA2 -0.263 3.708 3.960 0.018 0.000 0.229 453 G HA3 -0.263 3.708 3.960 0.018 0.000 0.229 453 G C 0.321 175.201 174.900 -0.032 0.000 1.440 453 G CA 0.510 45.622 45.100 0.020 0.000 0.936 453 G HN 1.178 nan 8.290 nan 0.000 0.690 454 S N -1.779 113.903 115.700 -0.031 0.000 2.636 454 S HA 0.590 5.071 4.470 0.018 0.000 0.268 454 S C 1.027 175.623 174.600 -0.008 0.000 1.159 454 S CA 0.497 58.691 58.200 -0.010 0.000 0.815 454 S CB 1.167 64.353 63.200 -0.023 0.000 1.130 454 S HN 1.948 nan 8.310 nan 0.000 0.471 455 V N -0.181 119.734 119.914 0.001 0.000 3.026 455 V HA 0.097 4.228 4.120 0.018 0.000 0.265 455 V C 1.332 177.413 176.094 -0.021 0.000 1.121 455 V CA 1.879 64.175 62.300 -0.007 0.000 1.142 455 V CB -1.243 30.572 31.823 -0.013 0.000 0.730 455 V HN 1.278 nan 8.190 nan 0.000 0.503 456 S N -1.079 114.601 115.700 -0.033 0.000 2.664 456 S HA 0.611 5.092 4.470 0.018 0.000 0.245 456 S C 1.021 175.578 174.600 -0.073 0.000 1.019 456 S CA 0.349 58.523 58.200 -0.044 0.000 0.996 456 S CB -0.010 63.167 63.200 -0.038 0.000 0.878 456 S HN 1.743 nan 8.310 nan 0.000 0.493 457 G N 0.795 109.543 108.800 -0.088 0.000 2.539 457 G HA2 -0.239 3.732 3.960 0.018 0.000 0.256 457 G HA3 -0.239 3.732 3.960 0.018 0.000 0.256 457 G C -0.312 174.454 174.900 -0.224 0.000 1.233 457 G CA -0.259 44.745 45.100 -0.160 0.000 0.936 457 G HN 1.057 nan 8.290 nan 0.000 0.571 458 C N -0.452 118.640 119.300 -0.346 0.000 2.609 458 C HA 0.721 5.192 4.460 0.018 0.000 0.313 458 C C 0.636 175.465 174.990 -0.269 0.000 1.175 458 C CA -0.059 58.738 59.018 -0.368 0.000 1.434 458 C CB 1.254 28.554 27.740 -0.732 0.000 2.005 458 C HN 0.981 nan 8.230 nan 0.000 0.471 459 S N 1.591 117.196 115.700 -0.158 0.000 2.568 459 S HA 0.186 4.667 4.470 0.018 0.000 0.282 459 S C 0.359 174.910 174.600 -0.081 0.000 1.338 459 S CA 0.061 58.202 58.200 -0.098 0.000 1.045 459 S CB 0.333 63.498 63.200 -0.059 0.000 0.873 459 S HN 0.801 nan 8.310 nan 0.000 0.516 460 T N 4.578 119.106 114.554 -0.042 0.000 2.752 460 T HA 0.397 4.758 4.350 0.018 0.000 0.295 460 T C 0.163 174.866 174.700 0.005 0.000 0.923 460 T CA -0.397 61.702 62.100 -0.000 0.000 1.112 460 T CB -0.574 68.305 68.868 0.017 0.000 0.884 460 T HN 0.815 nan 8.240 nan 0.000 0.525 461 N N 1.573 120.284 118.700 0.018 0.000 3.179 461 N HA 0.175 4.926 4.740 0.018 0.000 0.250 461 N C 0.427 175.945 175.510 0.014 0.000 1.507 461 N CA -1.006 52.049 53.050 0.008 0.000 0.883 461 N CB 0.292 38.773 38.487 -0.010 0.000 1.435 461 N HN 0.234 nan 8.380 nan 0.000 0.532 462 N N -0.169 118.522 118.700 -0.014 0.000 2.520 462 N HA -0.069 4.682 4.740 0.018 0.000 0.185 462 N C 0.631 176.084 175.510 -0.096 0.000 1.068 462 N CA 0.818 53.850 53.050 -0.029 0.000 0.911 462 N CB -0.084 38.379 38.487 -0.041 0.000 0.961 462 N HN 0.603 nan 8.380 nan 0.000 0.446 463 L N 0.338 121.489 121.223 -0.120 0.000 2.130 463 L HA 0.048 4.399 4.340 0.018 0.000 0.200 463 L C 1.647 178.603 176.870 0.143 0.000 1.075 463 L CA 0.973 55.718 54.840 -0.158 0.000 0.768 463 L CB -0.553 41.423 42.059 -0.139 0.000 0.933 463 L HN 0.097 nan 8.230 nan 0.000 0.451 464 N N -0.095 118.690 118.700 0.141 0.000 2.331 464 N HA -0.060 4.691 4.740 0.018 0.000 0.180 464 N C 0.112 175.830 175.510 0.346 0.000 1.019 464 N CA 0.594 53.813 53.050 0.281 0.000 0.881 464 N CB 0.188 38.744 38.487 0.116 0.000 0.972 464 N HN 0.280 nan 8.380 nan 0.000 0.435 465 N N 0.724 119.544 118.700 0.199 0.000 2.752 465 N HA 0.188 4.939 4.740 0.018 0.000 0.260 465 N C -2.870 172.692 175.510 0.086 0.000 1.562 465 N CA -0.710 52.434 53.050 0.155 0.000 0.788 465 N CB 1.700 40.284 38.487 0.160 0.000 1.192 465 N HN 0.140 nan 8.380 nan 0.000 0.503 466 P HA 0.266 nan 4.420 nan 0.000 0.274 466 P C -1.813 175.542 177.300 0.093 0.000 1.246 466 P CA -0.753 62.407 63.100 0.100 0.000 0.795 466 P CB 1.012 32.823 31.700 0.185 0.000 1.006 467 P HA -0.033 nan 4.420 nan 0.000 0.216 467 P C 0.140 177.587 177.300 0.245 0.000 1.150 467 P CA 1.388 64.623 63.100 0.225 0.000 0.837 467 P CB -0.009 31.877 31.700 0.311 0.000 0.786 468 F N -0.401 119.531 119.950 -0.029 0.000 2.529 468 F HA 0.486 5.024 4.527 0.019 0.000 0.320 468 F C -0.947 174.771 175.800 -0.136 0.000 1.118 468 F CA -0.635 57.226 58.000 -0.231 0.000 0.915 468 F CB 1.673 40.301 39.000 -0.619 0.000 1.161 468 F HN -0.427 nan 8.300 nan 0.000 0.445 469 T N 7.430 121.371 114.554 -1.021 0.000 2.786 469 T HA 0.425 4.786 4.350 0.018 0.000 0.283 469 T C -2.608 171.399 174.700 -1.156 0.000 0.992 469 T CA -1.268 60.336 62.100 -0.827 0.000 0.954 469 T CB 1.452 69.970 68.868 -0.582 0.000 0.934 469 T HN 0.301 nan 8.240 nan 0.000 0.440 470 P HA 0.148 nan 4.420 nan 0.000 0.271 470 P C 0.167 177.277 177.300 -0.316 0.000 1.244 470 P CA -0.617 62.269 63.100 -0.357 0.000 0.793 470 P CB 0.457 32.103 31.700 -0.090 0.000 0.984 471 R N 1.273 121.671 120.500 -0.170 0.000 4.779 471 R HA 0.216 4.567 4.340 0.018 0.000 0.217 471 R C 0.464 176.700 176.300 -0.106 0.000 1.934 471 R CA -0.231 55.777 56.100 -0.153 0.000 1.623 471 R CB -1.438 28.793 30.300 -0.114 0.000 1.364 471 R HN 0.422 nan 8.270 nan 0.000 0.799 472 I N -1.802 118.692 120.570 -0.128 0.000 2.696 472 I HA 0.097 4.278 4.170 0.018 0.000 0.284 472 I C 0.341 176.424 176.117 -0.057 0.000 1.129 472 I CA -1.014 60.250 61.300 -0.059 0.000 1.410 472 I CB 0.373 38.316 38.000 -0.095 0.000 1.399 472 I HN 0.094 nan 8.210 nan 0.000 0.579 473 L N 6.582 127.805 121.223 0.001 0.000 2.640 473 L HA -0.032 4.319 4.340 0.018 0.000 0.280 473 L C 0.438 177.302 176.870 -0.010 0.000 1.229 473 L CA 1.292 56.134 54.840 0.003 0.000 0.919 473 L CB -0.754 41.323 42.059 0.030 0.000 1.168 473 L HN 0.897 nan 8.230 nan 0.000 0.496 474 D N 2.710 123.105 120.400 -0.008 0.000 2.653 474 D HA -0.230 4.421 4.640 0.018 0.000 0.184 474 D C 1.124 177.443 176.300 0.032 0.000 0.993 474 D CA 1.593 55.606 54.000 0.021 0.000 1.027 474 D CB -1.357 39.462 40.800 0.031 0.000 1.089 474 D HN 1.325 nan 8.370 nan 0.000 0.447 475 G N -0.131 108.613 108.800 -0.095 0.000 2.148 475 G HA2 -0.336 3.635 3.960 0.018 0.000 0.254 475 G HA3 -0.336 3.635 3.960 0.018 0.000 0.254 475 G C -0.073 174.514 174.900 -0.522 0.000 0.981 475 G CA 0.767 45.703 45.100 -0.273 0.000 0.670 475 G HN 0.491 nan 8.290 nan 0.000 0.528 476 Y N -1.186 118.888 120.300 -0.376 0.000 2.406 476 Y HA 0.555 5.116 4.550 0.018 0.000 0.340 476 Y C 1.487 176.996 175.900 -0.652 0.000 0.975 476 Y CA -1.127 56.608 58.100 -0.608 0.000 1.056 476 Y CB 1.450 39.298 38.460 -1.020 0.000 1.210 476 Y HN -0.069 nan 8.280 nan 0.000 0.448 477 L N 1.854 122.802 121.223 -0.458 0.000 2.083 477 L HA -0.229 4.122 4.340 0.018 0.000 0.209 477 L C 1.722 178.518 176.870 -0.123 0.000 1.083 477 L CA 1.718 56.308 54.840 -0.417 0.000 0.752 477 L CB -0.368 41.458 42.059 -0.389 0.000 0.899 477 L HN 0.744 nan 8.230 nan 0.000 0.433 478 F N -2.064 117.928 119.950 0.070 0.000 2.811 478 F HA 0.163 4.701 4.527 0.018 0.000 0.301 478 F C 1.215 177.053 175.800 0.064 0.000 1.151 478 F CA -1.505 56.536 58.000 0.068 0.000 1.412 478 F CB -1.710 37.317 39.000 0.045 0.000 1.113 478 F HN -0.091 nan 8.300 nan 0.000 0.579 479 C N 4.706 123.903 119.300 -0.173 0.000 2.592 479 C HA 0.082 4.553 4.460 0.018 0.000 0.408 479 C C 1.257 176.293 174.990 0.077 0.000 1.436 479 C CA -0.400 58.598 59.018 -0.032 0.000 1.595 479 C CB -1.201 26.488 27.740 -0.085 0.000 2.487 479 C HN 0.646 nan 8.230 nan 0.000 0.610 480 K N 3.391 123.854 120.400 0.106 0.000 3.088 480 K HA -0.175 4.156 4.320 0.018 0.000 0.273 480 K C 0.135 176.790 176.600 0.093 0.000 1.111 480 K CA 1.438 57.792 56.287 0.111 0.000 0.803 480 K CB -2.063 30.503 32.500 0.110 0.000 1.226 480 K HN 0.987 nan 8.250 nan 0.000 0.485 481 T N -1.718 112.888 114.554 0.088 0.000 2.598 481 T HA 0.658 5.019 4.350 0.018 0.000 0.289 481 T C -0.778 173.904 174.700 -0.030 0.000 1.056 481 T CA -0.773 61.342 62.100 0.025 0.000 1.088 481 T CB 0.918 69.876 68.868 0.150 0.000 1.519 481 T HN 0.084 nan 8.240 nan 0.000 0.488 482 L N 1.257 122.424 121.223 -0.094 0.000 2.421 482 L HA 0.460 4.811 4.340 0.018 0.000 0.263 482 L C 0.521 177.415 176.870 0.040 0.000 1.122 482 L CA -1.085 53.676 54.840 -0.132 0.000 0.804 482 L CB 0.621 42.527 42.059 -0.255 0.000 1.150 482 L HN 0.702 nan 8.230 nan 0.000 0.457 483 C N 1.936 121.243 119.300 0.011 0.000 2.597 483 C HA -0.039 4.432 4.460 0.018 0.000 0.412 483 C C 2.038 177.090 174.990 0.103 0.000 1.348 483 C CA -0.476 58.568 59.018 0.042 0.000 1.769 483 C CB 0.124 27.847 27.740 -0.027 0.000 2.641 483 C HN 0.746 nan 8.230 nan 0.000 0.612 484 M N 2.415 122.115 119.600 0.166 0.000 2.394 484 M HA -0.041 4.450 4.480 0.018 0.000 0.264 484 M C 1.425 177.817 176.300 0.153 0.000 1.073 484 M CA 1.368 56.795 55.300 0.212 0.000 1.111 484 M CB -0.963 31.826 32.600 0.314 0.000 1.401 484 M HN 0.816 nan 8.290 nan 0.000 0.448 485 D N -0.213 120.236 120.400 0.082 0.000 2.342 485 D HA 0.259 4.910 4.640 0.018 0.000 0.221 485 D C 0.529 176.855 176.300 0.043 0.000 1.101 485 D CA -0.096 53.932 54.000 0.048 0.000 0.837 485 D CB -0.447 40.361 40.800 0.013 0.000 0.938 485 D HN 0.071 nan 8.370 nan 0.000 0.508 486 A N 0.009 122.859 122.820 0.050 0.000 2.448 486 A HA 0.446 4.777 4.320 0.018 0.000 0.239 486 A C -0.064 177.557 177.584 0.063 0.000 1.080 486 A CA -0.306 51.758 52.037 0.045 0.000 0.779 486 A CB 0.667 19.684 19.000 0.028 0.000 1.026 486 A HN 0.131 nan 8.150 nan 0.000 0.499 487 V N 2.035 121.988 119.914 0.065 0.000 2.531 487 V HA 0.427 4.558 4.120 0.018 0.000 0.301 487 V C -0.110 176.033 176.094 0.082 0.000 1.034 487 V CA -0.313 62.031 62.300 0.073 0.000 0.865 487 V CB 1.368 33.228 31.823 0.062 0.000 0.995 487 V HN 1.059 nan 8.190 nan 0.000 0.424 488 Q N 1.289 121.145 119.800 0.094 0.000 2.587 488 Q HA 0.419 4.770 4.340 0.018 0.000 0.293 488 Q C 0.790 176.870 176.000 0.132 0.000 1.083 488 Q CA -0.846 55.011 55.803 0.090 0.000 0.792 488 Q CB 2.105 30.887 28.738 0.073 0.000 1.484 488 Q HN 0.837 nan 8.270 nan 0.000 0.446 489 H N 0.209 119.281 119.070 0.003 0.000 2.353 489 H HA -0.153 4.414 4.556 0.018 0.000 0.298 489 H C 0.692 176.173 175.328 0.256 0.000 1.103 489 H CA 1.929 58.014 56.048 0.062 0.000 1.293 489 H CB 0.363 30.107 29.762 -0.030 0.000 1.372 489 H HN 0.626 nan 8.280 nan 0.000 0.501 490 W N 0.927 122.210 121.300 -0.029 0.000 2.800 490 W HA 0.241 4.913 4.660 0.019 0.000 0.249 490 W C 1.277 177.850 176.519 0.090 0.000 1.294 490 W CA 1.338 58.676 57.345 -0.011 0.000 1.402 490 W CB -0.330 29.191 29.460 0.100 0.000 1.126 490 W HN 0.484 nan 8.180 nan 0.000 0.652 491 G N -0.666 108.297 108.800 0.272 0.000 2.302 491 G HA2 -0.020 3.951 3.960 0.018 0.000 0.264 491 G HA3 -0.020 3.951 3.960 0.018 0.000 0.264 491 G C -0.922 174.045 174.900 0.112 0.000 1.335 491 G CA -1.154 44.051 45.100 0.174 0.000 0.982 491 G HN -0.164 nan 8.290 nan 0.000 0.473 492 K N 0.060 120.497 120.400 0.062 0.000 2.154 492 K HA 0.323 4.654 4.320 0.018 0.000 0.264 492 K C 1.277 177.923 176.600 0.077 0.000 1.008 492 K CA -0.190 56.139 56.287 0.069 0.000 0.937 492 K CB 1.585 34.125 32.500 0.066 0.000 1.002 492 K HN 0.551 nan 8.250 nan 0.000 0.469 493 Q N 1.707 121.576 119.800 0.115 0.000 2.181 493 Q HA -0.252 4.099 4.340 0.018 0.000 0.205 493 Q C 1.503 177.616 176.000 0.187 0.000 0.980 493 Q CA 1.714 57.606 55.803 0.149 0.000 0.862 493 Q CB -0.298 28.528 28.738 0.147 0.000 0.905 493 Q HN 0.690 nan 8.270 nan 0.000 0.429 494 Y N 0.492 120.818 120.300 0.044 0.000 2.151 494 Y HA -0.284 4.277 4.550 0.019 0.000 0.284 494 Y C 1.353 177.233 175.900 -0.034 0.000 1.166 494 Y CA 2.346 60.465 58.100 0.032 0.000 1.163 494 Y CB 0.004 38.463 38.460 -0.003 0.000 0.974 494 Y HN 0.261 nan 8.280 nan 0.000 0.511 495 D N -0.468 119.883 120.400 -0.081 0.000 2.277 495 D HA 0.003 4.654 4.640 0.018 0.000 0.209 495 D C 1.745 177.767 176.300 -0.464 0.000 0.970 495 D CA 1.524 55.208 54.000 -0.527 0.000 0.874 495 D CB 0.007 40.050 40.800 -1.263 0.000 0.982 495 D HN 0.645 nan 8.370 nan 0.000 0.504 496 I N -2.122 118.336 120.570 -0.186 0.000 3.976 496 I HA 0.151 4.332 4.170 0.018 0.000 0.337 496 I C 1.901 178.072 176.117 0.090 0.000 1.359 496 I CA -0.210 61.099 61.300 0.014 0.000 1.098 496 I CB -0.051 38.058 38.000 0.182 0.000 1.027 496 I HN -0.126 nan 8.210 nan 0.000 0.394 497 H N 2.900 121.969 119.070 -0.002 0.000 2.319 497 H HA -0.207 4.360 4.556 0.019 0.000 0.297 497 H C 1.120 176.404 175.328 -0.074 0.000 1.097 497 H CA 2.461 58.489 56.048 -0.034 0.000 1.285 497 H CB -0.126 29.585 29.762 -0.086 0.000 1.368 497 H HN 0.559 nan 8.280 nan 0.000 0.495 498 N N 0.049 118.741 118.700 -0.013 0.000 2.573 498 N HA -0.043 4.708 4.740 0.018 0.000 0.187 498 N C 1.190 176.664 175.510 -0.060 0.000 1.107 498 N CA 0.093 53.125 53.050 -0.031 0.000 0.918 498 N CB 0.187 38.751 38.487 0.129 0.000 0.966 498 N HN 0.361 nan 8.380 nan 0.000 0.448 499 L N -0.972 120.213 121.223 -0.064 0.000 2.640 499 L HA 0.094 4.445 4.340 0.018 0.000 0.230 499 L C 1.376 178.324 176.870 0.130 0.000 1.123 499 L CA -0.161 54.697 54.840 0.029 0.000 0.900 499 L CB -0.144 42.003 42.059 0.147 0.000 1.146 499 L HN 0.175 nan 8.230 nan 0.000 0.484 500 Y N 1.657 121.923 120.300 -0.056 0.000 2.114 500 Y HA -0.186 4.374 4.550 0.018 0.000 0.284 500 Y C 2.381 178.257 175.900 -0.040 0.000 1.143 500 Y CA 2.027 60.090 58.100 -0.062 0.000 1.135 500 Y CB -0.160 38.215 38.460 -0.141 0.000 0.980 500 Y HN 0.133 nan 8.280 nan 0.000 0.499 501 G N -1.611 107.295 108.800 0.176 0.000 2.422 501 G HA2 -0.337 3.634 3.960 0.018 0.000 0.218 501 G HA3 -0.337 3.634 3.960 0.018 0.000 0.218 501 G C 1.490 176.417 174.900 0.045 0.000 1.140 501 G CA 0.899 46.065 45.100 0.110 0.000 0.775 501 G HN 0.569 nan 8.290 nan 0.000 0.545 502 Y N 2.841 123.135 120.300 -0.009 0.000 2.163 502 Y HA -0.197 4.364 4.550 0.019 0.000 0.288 502 Y C 3.095 178.897 175.900 -0.162 0.000 1.136 502 Y CA 1.933 60.035 58.100 0.002 0.000 1.147 502 Y CB -0.422 38.116 38.460 0.131 0.000 0.987 502 Y HN 0.289 nan 8.280 nan 0.000 0.509 503 S N 0.004 115.571 115.700 -0.222 0.000 2.402 503 S HA -0.276 4.205 4.470 0.018 0.000 0.229 503 S C 2.185 176.420 174.600 -0.608 0.000 1.021 503 S CA 1.362 59.273 58.200 -0.481 0.000 0.974 503 S CB -0.825 62.055 63.200 -0.534 0.000 0.800 503 S HN 0.674 nan 8.310 nan 0.000 0.484 504 M N 1.604 120.776 119.600 -0.714 0.000 2.132 504 M HA -0.000 4.491 4.480 0.018 0.000 0.263 504 M C 2.350 178.284 176.300 -0.610 0.000 1.065 504 M CA 1.623 56.282 55.300 -1.068 0.000 1.122 504 M CB -0.543 31.447 32.600 -1.016 0.000 1.365 504 M HN 0.502 nan 8.290 nan 0.000 0.411 505 A N -0.341 122.230 122.820 -0.414 0.000 1.902 505 A HA -0.110 4.221 4.320 0.018 0.000 0.217 505 A C 2.022 179.310 177.584 -0.493 0.000 1.181 505 A CA 1.787 53.647 52.037 -0.295 0.000 0.623 505 A CB -1.090 17.824 19.000 -0.143 0.000 0.818 505 A HN 0.413 nan 8.150 nan 0.000 0.443 506 V N -0.047 119.352 119.914 -0.858 0.000 2.255 506 V HA -0.284 3.847 4.120 0.018 0.000 0.247 506 V C 3.074 178.887 176.094 -0.469 0.000 1.051 506 V CA 2.072 63.737 62.300 -1.059 0.000 1.018 506 V CB -1.316 29.873 31.823 -1.057 0.000 0.641 506 V HN 0.617 nan 8.190 nan 0.000 0.445 507 A N -0.436 122.183 122.820 -0.336 0.000 1.940 507 A HA -0.233 4.098 4.320 0.018 0.000 0.219 507 A C 2.367 180.034 177.584 0.139 0.000 1.176 507 A CA 2.547 54.541 52.037 -0.072 0.000 0.631 507 A CB -0.889 18.078 19.000 -0.054 0.000 0.814 507 A HN 0.532 nan 8.150 nan 0.000 0.446 508 T N -0.061 114.545 114.554 0.087 0.000 2.857 508 T HA 0.117 4.478 4.350 0.018 0.000 0.266 508 T C 2.214 176.914 174.700 0.000 0.000 1.048 508 T CA 1.166 63.362 62.100 0.160 0.000 1.139 508 T CB -0.329 68.636 68.868 0.162 0.000 0.874 508 T HN 0.580 nan 8.240 nan 0.000 0.455 509 A N 1.544 124.357 122.820 -0.012 0.000 1.933 509 A HA -0.127 4.204 4.320 0.018 0.000 0.218 509 A C 2.189 179.801 177.584 0.047 0.000 1.175 509 A CA 1.955 54.024 52.037 0.053 0.000 0.628 509 A CB -0.536 18.577 19.000 0.188 0.000 0.814 509 A HN 0.474 nan 8.150 nan 0.000 0.444 510 E N 0.259 120.473 120.200 0.023 0.000 2.047 510 E HA -0.044 4.318 4.350 0.018 0.000 0.191 510 E C 2.032 178.649 176.600 0.028 0.000 0.987 510 E CA 1.557 57.979 56.400 0.037 0.000 0.799 510 E CB -0.485 29.236 29.700 0.035 0.000 0.752 510 E HN 0.453 nan 8.360 nan 0.000 0.449 511 A N 0.985 123.819 122.820 0.023 0.000 1.917 511 A HA -0.157 4.174 4.320 0.018 0.000 0.219 511 A C 2.474 179.993 177.584 -0.107 0.000 1.182 511 A CA 2.308 54.305 52.037 -0.067 0.000 0.633 511 A CB -1.194 17.675 19.000 -0.220 0.000 0.819 511 A HN 0.417 nan 8.150 nan 0.000 0.448 512 A N -0.330 122.464 122.820 -0.045 0.000 1.978 512 A HA -0.190 4.141 4.320 0.018 0.000 0.220 512 A C 2.054 179.683 177.584 0.074 0.000 1.170 512 A CA 1.844 53.942 52.037 0.101 0.000 0.636 512 A CB -0.450 18.658 19.000 0.180 0.000 0.810 512 A HN 0.596 nan 8.150 nan 0.000 0.448 513 K N -1.074 119.346 120.400 0.033 0.000 2.103 513 K HA -0.112 4.219 4.320 0.018 0.000 0.207 513 K C 1.930 178.522 176.600 -0.014 0.000 1.048 513 K CA 1.820 58.122 56.287 0.026 0.000 0.930 513 K CB -0.268 32.247 32.500 0.026 0.000 0.716 513 K HN 0.489 nan 8.250 nan 0.000 0.444 514 T N 0.322 114.842 114.554 -0.057 0.000 2.939 514 T HA -0.016 4.345 4.350 0.018 0.000 0.254 514 T C 1.960 176.541 174.700 -0.198 0.000 1.041 514 T CA 0.597 62.638 62.100 -0.099 0.000 1.142 514 T CB 0.130 68.946 68.868 -0.088 0.000 0.874 514 T HN -0.083 nan 8.240 nan 0.000 0.452 515 V N 0.480 120.194 119.914 -0.333 0.000 2.548 515 V HA 0.085 4.216 4.120 0.018 0.000 0.249 515 V C 0.349 175.864 176.094 -0.966 0.000 1.055 515 V CA 1.152 63.017 62.300 -0.724 0.000 1.065 515 V CB -0.423 30.840 31.823 -0.935 0.000 0.681 515 V HN 0.394 nan 8.190 nan 0.000 0.462 516 F N 0.123 119.960 119.950 -0.189 0.000 2.523 516 F HA 0.455 4.991 4.527 0.016 0.000 0.322 516 F C -2.635 173.117 175.800 -0.079 0.000 1.361 516 F CA -3.233 54.682 58.000 -0.141 0.000 1.151 516 F CB 0.153 39.095 39.000 -0.096 0.000 1.391 516 F HN 0.025 nan 8.300 nan 0.000 0.566 517 P HA 0.068 nan 4.420 nan 0.000 0.263 517 P C 0.298 177.626 177.300 0.046 0.000 1.195 517 P CA 0.599 63.714 63.100 0.025 0.000 0.762 517 P CB 0.380 32.076 31.700 -0.008 0.000 0.799 518 N N -0.149 118.577 118.700 0.043 0.000 2.753 518 N HA -0.165 4.586 4.740 0.018 0.000 0.251 518 N C -0.265 175.267 175.510 0.037 0.000 1.097 518 N CA 1.315 54.387 53.050 0.037 0.000 0.786 518 N CB -0.702 37.801 38.487 0.027 0.000 1.137 518 N HN 0.468 nan 8.380 nan 0.000 0.566 519 K N 0.496 120.932 120.400 0.061 0.000 2.208 519 K HA 0.379 4.710 4.320 0.018 0.000 0.247 519 K C 1.324 177.935 176.600 0.018 0.000 0.953 519 K CA -0.640 55.672 56.287 0.042 0.000 0.837 519 K CB 1.319 33.858 32.500 0.065 0.000 1.131 519 K HN 0.023 nan 8.250 nan 0.000 0.431 520 R N 0.500 120.982 120.500 -0.030 0.000 2.090 520 R HA -0.075 4.276 4.340 0.018 0.000 0.228 520 R C 1.021 177.265 176.300 -0.094 0.000 1.110 520 R CA 1.035 57.093 56.100 -0.070 0.000 0.973 520 R CB -0.091 30.135 30.300 -0.123 0.000 0.869 520 R HN 0.894 nan 8.270 nan 0.000 0.440 521 S N -0.733 114.890 115.700 -0.129 0.000 3.525 521 S HA -0.312 4.169 4.470 0.018 0.000 0.629 521 S C -0.577 173.980 174.600 -0.071 0.000 2.621 521 S CA 1.167 59.253 58.200 -0.189 0.000 3.752 521 S CB -0.778 62.118 63.200 -0.505 0.000 0.260 521 S HN 0.323 nan 8.310 nan 0.000 1.214 522 F N 0.644 120.482 119.950 -0.187 0.000 2.639 522 F HA 0.704 5.243 4.527 0.019 0.000 0.326 522 F C -1.273 174.495 175.800 -0.054 0.000 1.150 522 F CA -0.681 57.198 58.000 -0.203 0.000 1.057 522 F CB 0.684 39.517 39.000 -0.278 0.000 1.300 522 F HN 0.588 nan 8.300 nan 0.000 0.486 523 I N 6.757 126.907 120.570 -0.699 0.000 2.465 523 I HA 0.481 4.662 4.170 0.018 0.000 0.291 523 I C -1.547 174.058 176.117 -0.853 0.000 1.014 523 I CA -1.109 59.858 61.300 -0.555 0.000 1.093 523 I CB 1.974 39.845 38.000 -0.215 0.000 1.267 523 I HN 0.536 nan 8.210 nan 0.000 0.431 524 L N 6.085 126.944 121.223 -0.607 0.000 2.333 524 L HA 0.631 4.982 4.340 0.018 0.000 0.280 524 L C -0.420 176.492 176.870 0.070 0.000 1.004 524 L CA 0.246 54.828 54.840 -0.430 0.000 0.820 524 L CB 1.812 43.594 42.059 -0.462 0.000 1.247 524 L HN 0.595 nan 8.230 nan 0.000 0.416 525 T N 3.625 118.279 114.554 0.166 0.000 2.887 525 T HA 0.439 4.801 4.350 0.018 0.000 0.288 525 T C 0.702 175.637 174.700 0.391 0.000 1.021 525 T CA -0.415 61.873 62.100 0.312 0.000 1.000 525 T CB 1.637 70.606 68.868 0.169 0.000 1.034 525 T HN 0.836 nan 8.240 nan 0.000 0.467 526 R N 1.973 122.644 120.500 0.286 0.000 2.048 526 R HA 0.238 4.589 4.340 0.018 0.000 0.221 526 R C 0.911 177.230 176.300 0.031 0.000 1.174 526 R CA 0.440 56.424 56.100 -0.193 0.000 0.971 526 R CB -0.372 29.715 30.300 -0.355 0.000 0.863 526 R HN 0.555 nan 8.270 nan 0.000 0.439 527 S N 0.244 116.003 115.700 0.099 0.000 2.548 527 S HA 0.184 4.665 4.470 0.018 0.000 0.277 527 S C -0.476 174.203 174.600 0.132 0.000 1.315 527 S CA -0.261 58.019 58.200 0.134 0.000 1.050 527 S CB 0.888 64.167 63.200 0.131 0.000 0.918 527 S HN 0.445 nan 8.310 nan 0.000 0.497 528 T N 2.077 116.710 114.554 0.132 0.000 2.896 528 T HA 0.738 5.099 4.350 0.018 0.000 0.297 528 T C -1.020 173.838 174.700 0.264 0.000 1.108 528 T CA -0.704 61.506 62.100 0.183 0.000 1.004 528 T CB 1.275 70.213 68.868 0.116 0.000 1.159 528 T HN 0.509 nan 8.240 nan 0.000 0.499 529 F N 0.752 120.771 119.950 0.115 0.000 2.664 529 F HA 0.758 5.296 4.527 0.018 0.000 0.329 529 F C -0.071 175.741 175.800 0.021 0.000 1.090 529 F CA -1.044 56.969 58.000 0.021 0.000 0.978 529 F CB 1.410 40.358 39.000 -0.086 0.000 1.378 529 F HN 1.022 nan 8.300 nan 0.000 0.495 530 A N 1.494 123.887 122.820 -0.712 0.000 2.566 530 A HA 0.409 4.740 4.320 0.018 0.000 0.245 530 A C 1.057 178.634 177.584 -0.012 0.000 1.056 530 A CA 1.066 52.861 52.037 -0.402 0.000 0.757 530 A CB -1.268 17.410 19.000 -0.536 0.000 0.979 530 A HN 2.034 nan 8.150 nan 0.000 0.508 531 G N 1.710 110.507 108.800 -0.005 0.000 2.194 531 G HA2 -0.266 3.705 3.960 0.018 0.000 0.236 531 G HA3 -0.266 3.705 3.960 0.018 0.000 0.236 531 G C 1.308 176.420 174.900 0.352 0.000 0.987 531 G CA 0.749 45.953 45.100 0.172 0.000 0.635 531 G HN 1.058 nan 8.290 nan 0.000 0.520 532 S N 0.439 116.381 115.700 0.404 0.000 2.400 532 S HA -0.021 4.460 4.470 0.018 0.000 0.232 532 S C 2.489 177.246 174.600 0.262 0.000 1.025 532 S CA 1.943 60.415 58.200 0.453 0.000 0.993 532 S CB -0.518 62.901 63.200 0.365 0.000 0.808 532 S HN 1.353 nan 8.310 nan 0.000 0.478 533 G N 1.284 110.159 108.800 0.125 0.000 2.498 533 G HA2 -0.231 3.740 3.960 0.018 0.000 0.219 533 G HA3 -0.231 3.740 3.960 0.018 0.000 0.219 533 G C 1.210 176.046 174.900 -0.107 0.000 1.119 533 G CA 0.867 45.986 45.100 0.032 0.000 0.766 533 G HN 0.517 nan 8.290 nan 0.000 0.552 534 K N -0.678 119.568 120.400 -0.257 0.000 2.280 534 K HA -0.003 4.329 4.320 0.018 0.000 0.202 534 K C 1.378 177.510 176.600 -0.780 0.000 1.047 534 K CA 0.997 56.923 56.287 -0.602 0.000 0.942 534 K CB -0.139 31.836 32.500 -0.875 0.000 0.739 534 K HN 0.396 nan 8.250 nan 0.000 0.457 535 F N -0.813 119.110 119.950 -0.044 0.000 2.667 535 F HA 0.394 4.932 4.527 0.018 0.000 0.288 535 F C 0.475 176.214 175.800 -0.102 0.000 1.086 535 F CA -0.228 57.728 58.000 -0.073 0.000 1.297 535 F CB 0.747 39.692 39.000 -0.091 0.000 1.059 535 F HN -0.068 nan 8.300 nan 0.000 0.624 536 A N -0.110 122.743 122.820 0.056 0.000 2.606 536 A HA 0.836 5.167 4.320 0.018 0.000 0.293 536 A C -0.829 176.708 177.584 -0.078 0.000 1.082 536 A CA -0.401 51.604 52.037 -0.054 0.000 0.685 536 A CB 0.457 19.458 19.000 0.001 0.000 1.284 536 A HN 0.128 nan 8.150 nan 0.000 0.408 537 A N 0.077 122.763 122.820 -0.224 0.000 2.259 537 A HA 0.688 5.019 4.320 0.018 0.000 0.278 537 A C -0.169 177.351 177.584 -0.107 0.000 1.107 537 A CA 0.178 52.101 52.037 -0.189 0.000 0.828 537 A CB 0.204 18.982 19.000 -0.370 0.000 1.111 537 A HN 1.629 nan 8.150 nan 0.000 0.498 538 H N -1.672 117.262 119.070 -0.226 0.000 2.851 538 H HA 0.555 5.122 4.556 0.019 0.000 0.372 538 H C -1.236 174.002 175.328 -0.150 0.000 1.158 538 H CA -0.782 55.143 56.048 -0.205 0.000 1.159 538 H CB 1.082 30.634 29.762 -0.349 0.000 1.757 538 H HN 0.857 nan 8.280 nan 0.000 0.546 539 W N 5.302 126.014 121.300 -0.980 0.000 2.719 539 W HA 0.458 5.132 4.660 0.023 0.000 0.352 539 W C -0.959 174.946 176.519 -1.023 0.000 1.085 539 W CA -1.176 55.716 57.345 -0.755 0.000 1.187 539 W CB 0.981 30.242 29.460 -0.331 0.000 1.417 539 W HN 0.499 nan 8.180 nan 0.000 0.557 540 L N 3.865 124.706 121.223 -0.637 0.000 2.627 540 L HA 0.310 4.661 4.340 0.018 0.000 0.233 540 L C 1.216 177.849 176.870 -0.394 0.000 1.144 540 L CA 0.875 55.441 54.840 -0.457 0.000 0.892 540 L CB -1.196 40.810 42.059 -0.088 0.000 1.039 540 L HN 1.029 nan 8.230 nan 0.000 0.442 541 G N 0.187 108.426 108.800 -0.935 0.000 2.482 541 G HA2 -0.224 3.747 3.960 0.018 0.000 0.214 541 G HA3 -0.224 3.747 3.960 0.018 0.000 0.214 541 G C -0.734 174.127 174.900 -0.065 0.000 1.271 541 G CA -0.520 44.113 45.100 -0.778 0.000 0.944 541 G HN 0.150 nan 8.290 nan 0.000 0.568 542 D N 2.522 122.953 120.400 0.052 0.000 2.619 542 D HA 0.276 4.928 4.640 0.018 0.000 0.224 542 D C 1.238 177.721 176.300 0.305 0.000 1.133 542 D CA 0.035 54.056 54.000 0.035 0.000 1.017 542 D CB -0.472 40.378 40.800 0.084 0.000 1.077 542 D HN 0.617 nan 8.370 nan 0.000 0.503 543 N N -0.230 118.663 118.700 0.320 0.000 2.290 543 N HA 0.181 4.932 4.740 0.018 0.000 0.269 543 N C -0.132 175.594 175.510 0.359 0.000 1.295 543 N CA -0.158 53.107 53.050 0.358 0.000 0.932 543 N CB 0.299 39.012 38.487 0.376 0.000 1.128 543 N HN -0.129 nan 8.380 nan 0.000 0.532 544 T N -1.545 113.199 114.554 0.316 0.000 2.906 544 T HA 0.655 5.016 4.350 0.018 0.000 0.295 544 T C -0.533 174.294 174.700 0.211 0.000 1.061 544 T CA -0.581 61.643 62.100 0.207 0.000 1.000 544 T CB 1.517 70.498 68.868 0.188 0.000 1.103 544 T HN 0.705 nan 8.240 nan 0.000 0.486 545 A N 2.711 125.586 122.820 0.092 0.000 3.026 545 A HA 0.510 4.841 4.320 0.018 0.000 0.272 545 A C 0.837 178.474 177.584 0.088 0.000 1.782 545 A CA -0.267 51.849 52.037 0.130 0.000 1.451 545 A CB -1.224 17.776 19.000 0.001 0.000 1.081 545 A HN 0.826 nan 8.150 nan 0.000 0.611 546 T N -3.967 110.639 114.554 0.086 0.000 2.916 546 T HA 0.447 4.808 4.350 0.018 0.000 0.292 546 T C 0.440 175.001 174.700 -0.231 0.000 1.064 546 T CA -0.660 61.418 62.100 -0.037 0.000 1.011 546 T CB 0.714 69.579 68.868 -0.004 0.000 1.152 546 T HN 0.420 nan 8.240 nan 0.000 0.510 547 W N 0.497 121.698 121.300 -0.166 0.000 2.402 547 W HA 0.060 4.732 4.660 0.020 0.000 0.286 547 W C 1.897 178.156 176.519 -0.433 0.000 1.221 547 W CA 0.937 58.120 57.345 -0.269 0.000 1.257 547 W CB -0.317 29.032 29.460 -0.185 0.000 1.120 547 W HN 0.740 nan 8.180 nan 0.000 0.551 548 D N 0.290 120.481 120.400 -0.349 0.000 2.097 548 D HA -0.176 4.475 4.640 0.018 0.000 0.195 548 D C 1.345 176.919 176.300 -1.210 0.000 0.989 548 D CA 1.789 55.206 54.000 -0.971 0.000 0.827 548 D CB -0.593 39.432 40.800 -1.293 0.000 0.966 548 D HN 0.158 nan 8.370 nan 0.000 0.456 549 D N -0.016 119.994 120.400 -0.650 0.000 2.123 549 D HA -0.136 4.515 4.640 0.018 0.000 0.196 549 D C 1.978 178.105 176.300 -0.288 0.000 0.992 549 D CA 0.355 54.255 54.000 -0.167 0.000 0.833 549 D CB -0.160 40.768 40.800 0.214 0.000 0.954 549 D HN 0.063 nan 8.370 nan 0.000 0.455 550 L N 0.964 121.695 121.223 -0.819 0.000 1.990 550 L HA -0.187 4.164 4.340 0.018 0.000 0.213 550 L C 1.973 178.587 176.870 -0.427 0.000 1.072 550 L CA 1.828 55.985 54.840 -1.139 0.000 0.755 550 L CB -0.289 41.012 42.059 -1.263 0.000 0.889 550 L HN -0.095 nan 8.230 nan 0.000 0.432 551 R N -1.477 118.842 120.500 -0.301 0.000 2.081 551 R HA -0.198 4.153 4.340 0.018 0.000 0.235 551 R C 2.024 178.432 176.300 0.179 0.000 1.131 551 R CA 1.786 57.847 56.100 -0.064 0.000 0.960 551 R CB -0.578 29.678 30.300 -0.073 0.000 0.856 551 R HN 0.474 nan 8.270 nan 0.000 0.436 552 W N 0.895 122.246 121.300 0.085 0.000 2.525 552 W HA -0.041 4.630 4.660 0.018 0.000 0.259 552 W C 2.349 178.947 176.519 0.133 0.000 1.253 552 W CA 0.941 58.365 57.345 0.131 0.000 1.262 552 W CB -0.951 28.592 29.460 0.137 0.000 1.122 552 W HN 0.193 nan 8.180 nan 0.000 0.607 553 S N -0.010 115.879 115.700 0.316 0.000 2.402 553 S HA -0.165 4.316 4.470 0.018 0.000 0.229 553 S C 1.791 176.506 174.600 0.191 0.000 1.021 553 S CA 1.100 59.452 58.200 0.253 0.000 0.974 553 S CB -0.783 62.593 63.200 0.293 0.000 0.800 553 S HN 0.225 nan 8.310 nan 0.000 0.484 554 I N 2.355 123.042 120.570 0.196 0.000 2.202 554 I HA -0.021 4.160 4.170 0.018 0.000 0.242 554 I C -0.802 175.333 176.117 0.029 0.000 1.091 554 I CA 0.707 62.052 61.300 0.074 0.000 1.368 554 I CB -1.175 36.882 38.000 0.095 0.000 1.058 554 I HN 0.241 nan 8.210 nan 0.000 0.410 555 P HA -0.131 nan 4.420 nan 0.000 0.218 555 P C 1.595 178.994 177.300 0.164 0.000 1.148 555 P CA 1.620 64.822 63.100 0.170 0.000 0.822 555 P CB -0.213 31.666 31.700 0.298 0.000 0.784 556 G N -0.428 108.478 108.800 0.177 0.000 2.402 556 G HA2 -0.208 3.763 3.960 0.018 0.000 0.216 556 G HA3 -0.208 3.763 3.960 0.018 0.000 0.216 556 G C 1.636 176.691 174.900 0.257 0.000 1.162 556 G CA 0.546 45.789 45.100 0.239 0.000 0.777 556 G HN 0.146 nan 8.290 nan 0.000 0.539 557 V N 0.994 120.967 119.914 0.099 0.000 2.295 557 V HA -0.128 4.004 4.120 0.018 0.000 0.246 557 V C 2.945 179.036 176.094 -0.006 0.000 1.049 557 V CA 1.564 63.888 62.300 0.039 0.000 1.024 557 V CB -0.453 31.320 31.823 -0.083 0.000 0.648 557 V HN 0.350 nan 8.190 nan 0.000 0.447 558 L N -0.374 120.763 121.223 -0.142 0.000 2.042 558 L HA -0.232 4.119 4.340 0.018 0.000 0.210 558 L C 2.533 179.316 176.870 -0.144 0.000 1.076 558 L CA 1.824 56.508 54.840 -0.261 0.000 0.749 558 L CB -0.681 40.963 42.059 -0.691 0.000 0.893 558 L HN 0.392 nan 8.230 nan 0.000 0.432 559 E N -0.399 119.774 120.200 -0.046 0.000 2.072 559 E HA -0.187 4.174 4.350 0.018 0.000 0.191 559 E C 2.070 178.171 176.600 -0.831 0.000 0.985 559 E CA 1.145 57.345 56.400 -0.334 0.000 0.801 559 E CB -0.119 29.477 29.700 -0.174 0.000 0.750 559 E HN 0.339 nan 8.360 nan 0.000 0.452 560 F N 1.389 121.186 119.950 -0.256 0.000 2.365 560 F HA -0.096 4.443 4.527 0.020 0.000 0.300 560 F C 2.026 177.788 175.800 -0.063 0.000 1.090 560 F CA 0.782 58.753 58.000 -0.048 0.000 1.408 560 F CB -0.064 39.034 39.000 0.163 0.000 1.060 560 F HN 0.042 nan 8.300 nan 0.000 0.534 561 N N 0.317 119.021 118.700 0.007 0.000 2.188 561 N HA -0.111 4.640 4.740 0.018 0.000 0.184 561 N C 1.963 177.430 175.510 -0.073 0.000 1.018 561 N CA 0.977 54.008 53.050 -0.032 0.000 0.858 561 N CB -0.196 38.249 38.487 -0.069 0.000 0.989 561 N HN 0.302 nan 8.380 nan 0.000 0.426 562 L N 0.015 121.141 121.223 -0.162 0.000 2.083 562 L HA -0.116 4.235 4.340 0.018 0.000 0.209 562 L C 1.379 178.246 176.870 -0.004 0.000 1.083 562 L CA 0.980 55.776 54.840 -0.074 0.000 0.752 562 L CB -0.464 41.556 42.059 -0.064 0.000 0.899 562 L HN 0.073 nan 8.230 nan 0.000 0.433 563 F N 0.273 120.235 119.950 0.021 0.000 2.811 563 F HA 0.228 4.766 4.527 0.018 0.000 0.301 563 F C 1.802 177.580 175.800 -0.037 0.000 1.151 563 F CA 0.153 58.151 58.000 -0.004 0.000 1.412 563 F CB -1.111 37.793 39.000 -0.160 0.000 1.113 563 F HN 0.183 nan 8.300 nan 0.000 0.579 564 G N 1.113 109.962 108.800 0.081 0.000 2.160 564 G HA2 -0.297 3.674 3.960 0.018 0.000 0.244 564 G HA3 -0.297 3.674 3.960 0.018 0.000 0.244 564 G C 0.194 175.123 174.900 0.049 0.000 1.022 564 G CA 0.072 45.153 45.100 -0.032 0.000 0.741 564 G HN 0.408 nan 8.290 nan 0.000 0.508 565 I N 0.825 121.498 120.570 0.172 0.000 2.859 565 I HA 0.200 4.381 4.170 0.018 0.000 0.296 565 I C -0.985 175.264 176.117 0.219 0.000 1.300 565 I CA -2.052 59.383 61.300 0.226 0.000 1.020 565 I CB 1.252 39.486 38.000 0.390 0.000 1.823 565 I HN -0.067 nan 8.210 nan 0.000 0.599 566 P HA -0.151 nan 4.420 nan 0.000 0.221 566 P C 0.879 178.324 177.300 0.242 0.000 1.150 566 P CA 0.952 64.109 63.100 0.095 0.000 0.800 566 P CB 0.374 32.008 31.700 -0.110 0.000 0.787 567 M N 1.092 120.917 119.600 0.375 0.000 2.775 567 M HA 0.263 4.755 4.480 0.018 0.000 0.313 567 M C -0.981 175.450 176.300 0.218 0.000 1.429 567 M CA -0.066 55.454 55.300 0.366 0.000 1.494 567 M CB -0.267 32.464 32.600 0.218 0.000 1.274 567 M HN -0.290 nan 8.290 nan 0.000 0.491 568 V N 3.915 123.985 119.914 0.261 0.000 2.971 568 V HA 1.024 5.156 4.120 0.018 0.000 0.309 568 V C -0.614 175.598 176.094 0.198 0.000 1.130 568 V CA -0.006 62.392 62.300 0.162 0.000 0.964 568 V CB 2.319 34.214 31.823 0.120 0.000 1.029 568 V HN 0.803 nan 8.190 nan 0.000 0.427 569 G N 5.255 114.138 108.800 0.138 0.000 2.547 569 G HA2 0.680 4.651 3.960 0.018 0.000 0.291 569 G HA3 0.680 4.651 3.960 0.018 0.000 0.291 569 G C -3.564 171.286 174.900 -0.084 0.000 1.471 569 G CA -0.637 44.400 45.100 -0.105 0.000 0.798 569 G HN 0.663 nan 8.290 nan 0.000 0.504 570 P HA 0.364 nan 4.420 nan 0.000 0.301 570 P C -1.046 176.279 177.300 0.041 0.000 1.309 570 P CA -0.503 62.599 63.100 0.004 0.000 0.782 570 P CB 1.231 32.997 31.700 0.109 0.000 1.282 571 D N 0.350 120.817 120.400 0.111 0.000 2.342 571 D HA 0.215 4.866 4.640 0.018 0.000 0.260 571 D C 0.427 176.512 176.300 -0.359 0.000 1.278 571 D CA 0.287 54.286 54.000 -0.002 0.000 0.910 571 D CB -0.549 40.361 40.800 0.184 0.000 1.079 571 D HN 0.214 nan 8.370 nan 0.000 0.496 572 I N 1.756 122.097 120.570 -0.381 0.000 2.710 572 I HA -0.126 4.055 4.170 0.018 0.000 0.286 572 I C 1.092 176.695 176.117 -0.855 0.000 1.181 572 I CA -0.041 60.806 61.300 -0.756 0.000 1.430 572 I CB 0.455 38.336 38.000 -0.198 0.000 1.367 572 I HN 0.612 nan 8.210 nan 0.000 0.577 573 c N 3.794 121.528 118.600 -1.444 0.000 5.716 573 c HA -0.118 4.463 4.570 0.018 0.000 0.276 573 c C 0.808 174.548 174.090 -0.584 0.000 1.974 573 c CA 0.267 56.214 56.329 -0.637 0.000 1.737 573 c CB -2.428 39.968 42.510 -0.189 0.000 2.710 573 c HN 1.511 nan 8.230 nan 0.000 0.494 574 G N -1.243 107.077 108.800 -0.800 0.000 3.225 574 G HA2 0.134 4.105 3.960 0.018 0.000 0.686 574 G HA3 0.134 4.105 3.960 0.018 0.000 0.686 574 G C -0.354 174.486 174.900 -0.099 0.000 1.105 574 G CA 0.075 44.988 45.100 -0.312 0.000 0.831 574 G HN 1.062 nan 8.290 nan 0.000 0.578 575 F N 2.844 122.731 119.950 -0.105 0.000 2.022 575 F HA 0.458 4.995 4.527 0.017 0.000 0.293 575 F C 2.064 177.800 175.800 -0.107 0.000 1.142 575 F CA 2.304 60.270 58.000 -0.058 0.000 1.177 575 F CB -0.370 38.690 39.000 0.101 0.000 0.982 575 F HN 1.157 nan 8.300 nan 0.000 0.473 576 A N 1.198 123.990 122.820 -0.046 0.000 2.440 576 A HA 0.498 4.829 4.320 0.018 0.000 0.251 576 A C -0.783 176.374 177.584 -0.712 0.000 1.089 576 A CA -0.232 51.555 52.037 -0.416 0.000 0.779 576 A CB -0.135 18.878 19.000 0.022 0.000 1.022 576 A HN 0.622 nan 8.150 nan 0.000 0.492 577 L N 0.935 121.177 121.223 -1.635 0.000 0.584 577 L HA -0.122 4.229 4.340 0.018 0.000 0.356 577 L C -0.684 175.820 176.870 -0.609 0.000 1.004 577 L CA -0.009 54.268 54.840 -0.937 0.000 1.223 577 L CB -1.059 40.813 42.059 -0.310 0.000 0.014 577 L HN 0.895 nan 8.230 nan 0.000 0.091 578 D N 0.854 121.144 120.400 -0.185 0.000 2.458 578 D HA 0.260 4.911 4.640 0.018 0.000 0.243 578 D C 0.467 176.756 176.300 -0.017 0.000 1.146 578 D CA 0.358 54.343 54.000 -0.024 0.000 0.877 578 D CB 0.688 41.517 40.800 0.048 0.000 1.176 578 D HN 0.552 nan 8.370 nan 0.000 0.461 579 T N 2.432 117.004 114.554 0.030 0.000 2.806 579 T HA 0.382 4.743 4.350 0.018 0.000 0.290 579 T C -2.424 172.359 174.700 0.139 0.000 0.966 579 T CA -1.897 60.247 62.100 0.072 0.000 1.060 579 T CB 0.683 69.605 68.868 0.089 0.000 0.927 579 T HN 0.043 nan 8.240 nan 0.000 0.485 580 P HA 0.132 nan 4.420 nan 0.000 0.268 580 P C 0.909 178.311 177.300 0.170 0.000 1.205 580 P CA -0.260 62.933 63.100 0.155 0.000 0.771 580 P CB 0.565 32.367 31.700 0.169 0.000 0.858 581 E N 2.945 123.277 120.200 0.219 0.000 2.097 581 E HA -0.288 4.073 4.350 0.018 0.000 0.196 581 E C 1.423 178.036 176.600 0.022 0.000 1.000 581 E CA 1.775 58.260 56.400 0.142 0.000 0.804 581 E CB 0.023 29.837 29.700 0.190 0.000 0.740 581 E HN 0.613 nan 8.360 nan 0.000 0.454 582 E N -0.054 120.221 120.200 0.125 0.000 2.072 582 E HA -0.174 4.187 4.350 0.018 0.000 0.191 582 E C 2.435 179.121 176.600 0.142 0.000 0.985 582 E CA 0.845 57.355 56.400 0.185 0.000 0.801 582 E CB -0.138 29.750 29.700 0.314 0.000 0.750 582 E HN 0.220 nan 8.360 nan 0.000 0.452 583 L N 0.864 122.090 121.223 0.004 0.000 2.046 583 L HA -0.149 4.202 4.340 0.018 0.000 0.208 583 L C 2.495 179.235 176.870 -0.217 0.000 1.077 583 L CA 1.819 56.316 54.840 -0.571 0.000 0.747 583 L CB -0.872 40.762 42.059 -0.707 0.000 0.896 583 L HN 0.324 nan 8.230 nan 0.000 0.432 584 c N -0.119 118.430 118.600 -0.084 0.000 2.440 584 c HA -0.120 4.461 4.570 0.018 0.000 0.278 584 c C 3.071 177.088 174.090 -0.121 0.000 1.295 584 c CA 1.031 57.317 56.329 -0.072 0.000 1.738 584 c CB -0.902 41.517 42.510 -0.153 0.000 1.987 584 c HN 0.712 nan 8.230 nan 0.000 0.492 585 R N 0.103 120.506 120.500 -0.162 0.000 2.070 585 R HA -0.076 4.275 4.340 0.018 0.000 0.233 585 R C 2.476 178.766 176.300 -0.016 0.000 1.137 585 R CA 1.445 57.479 56.100 -0.110 0.000 0.945 585 R CB -0.294 29.960 30.300 -0.077 0.000 0.845 585 R HN 0.337 nan 8.270 nan 0.000 0.430 586 R N -0.039 120.464 120.500 0.006 0.000 2.091 586 R HA -0.179 4.172 4.340 0.018 0.000 0.238 586 R C 1.907 178.226 176.300 0.031 0.000 1.136 586 R CA 1.128 57.237 56.100 0.016 0.000 0.959 586 R CB -1.062 29.270 30.300 0.053 0.000 0.856 586 R HN 0.468 nan 8.270 nan 0.000 0.437 587 W N 0.724 121.936 121.300 -0.147 0.000 2.388 587 W HA -0.023 4.650 4.660 0.022 0.000 0.294 587 W C 1.762 178.251 176.519 -0.051 0.000 1.212 587 W CA 0.725 58.017 57.345 -0.089 0.000 1.271 587 W CB -0.182 29.222 29.460 -0.093 0.000 1.126 587 W HN 0.004 nan 8.180 nan 0.000 0.535 588 M N 0.204 119.910 119.600 0.177 0.000 2.175 588 M HA -0.193 4.298 4.480 0.018 0.000 0.264 588 M C 1.913 178.233 176.300 0.033 0.000 1.063 588 M CA 1.538 56.873 55.300 0.059 0.000 1.119 588 M CB -1.438 31.139 32.600 -0.039 0.000 1.377 588 M HN 0.123 nan 8.290 nan 0.000 0.415 589 Q N -0.191 119.621 119.800 0.020 0.000 2.050 589 Q HA -0.194 4.157 4.340 0.018 0.000 0.202 589 Q C 2.066 178.049 176.000 -0.029 0.000 0.980 589 Q CA 1.299 57.064 55.803 -0.064 0.000 0.840 589 Q CB -0.335 28.300 28.738 -0.171 0.000 0.898 589 Q HN 0.321 nan 8.270 nan 0.000 0.424 590 L N 0.242 121.455 121.223 -0.016 0.000 2.056 590 L HA 0.007 4.358 4.340 0.018 0.000 0.207 590 L C 2.056 178.819 176.870 -0.178 0.000 1.078 590 L CA 2.207 57.022 54.840 -0.040 0.000 0.749 590 L CB -0.999 41.013 42.059 -0.077 0.000 0.901 590 L HN 0.182 nan 8.230 nan 0.000 0.433 591 G N -1.035 107.690 108.800 -0.125 0.000 2.470 591 G HA2 -0.207 3.764 3.960 0.018 0.000 0.220 591 G HA3 -0.207 3.764 3.960 0.018 0.000 0.220 591 G C 1.546 176.452 174.900 0.010 0.000 1.121 591 G CA 0.623 45.669 45.100 -0.089 0.000 0.766 591 G HN 0.635 nan 8.290 nan 0.000 0.553 592 A N -0.066 122.689 122.820 -0.107 0.000 2.125 592 A HA 0.227 4.558 4.320 0.018 0.000 0.219 592 A C 1.520 178.717 177.584 -0.645 0.000 1.156 592 A CA 0.765 52.584 52.037 -0.364 0.000 0.671 592 A CB -0.340 18.338 19.000 -0.536 0.000 0.794 592 A HN 0.347 nan 8.150 nan 0.000 0.459 593 F N -2.809 117.234 119.950 0.156 0.000 2.688 593 F HA 0.320 4.859 4.527 0.020 0.000 0.310 593 F C -0.218 176.019 175.800 0.728 0.000 1.098 593 F CA -1.012 57.214 58.000 0.377 0.000 1.228 593 F CB 0.025 38.972 39.000 -0.089 0.000 1.042 593 F HN 0.038 nan 8.300 nan 0.000 0.557 594 Y N 2.013 122.666 120.300 0.588 0.000 2.346 594 Y HA 0.227 4.788 4.550 0.017 0.000 0.330 594 Y C -1.265 174.876 175.900 0.402 0.000 1.178 594 Y CA -3.086 55.291 58.100 0.461 0.000 1.331 594 Y CB -0.002 38.630 38.460 0.285 0.000 1.253 594 Y HN -0.153 nan 8.280 nan 0.000 0.529 595 P HA -0.169 nan 4.420 nan 0.000 0.216 595 P C -0.151 177.398 177.300 0.415 0.000 1.150 595 P CA 1.339 64.658 63.100 0.365 0.000 0.837 595 P CB 0.189 32.060 31.700 0.285 0.000 0.786 596 F N 0.354 120.437 119.950 0.222 0.000 2.388 596 F HA 0.537 5.075 4.527 0.017 0.000 0.358 596 F C -0.169 175.714 175.800 0.140 0.000 1.122 596 F CA -1.511 56.548 58.000 0.098 0.000 1.056 596 F CB 0.987 39.996 39.000 0.014 0.000 1.155 596 F HN -0.340 nan 8.300 nan 0.000 0.461 597 S N 7.870 123.338 115.700 -0.387 0.000 2.528 597 S HA 0.523 5.004 4.470 0.018 0.000 0.303 597 S C -0.729 173.572 174.600 -0.497 0.000 1.123 597 S CA -0.593 57.519 58.200 -0.148 0.000 1.138 597 S CB -0.048 63.298 63.200 0.243 0.000 0.984 597 S HN 0.864 nan 8.310 nan 0.000 0.474 598 R N 4.009 124.113 120.500 -0.661 0.000 2.538 598 R HA 0.335 4.686 4.340 0.018 0.000 0.292 598 R C -1.395 174.679 176.300 -0.376 0.000 1.008 598 R CA -0.627 55.023 56.100 -0.749 0.000 0.896 598 R CB 0.883 30.524 30.300 -1.097 0.000 1.187 598 R HN 0.579 nan 8.270 nan 0.000 0.440 599 N N 2.969 121.484 118.700 -0.308 0.000 2.419 599 N HA 0.119 4.870 4.740 0.018 0.000 0.264 599 N C -1.579 173.891 175.510 -0.067 0.000 1.031 599 N CA 0.085 53.084 53.050 -0.085 0.000 0.951 599 N CB 0.906 39.482 38.487 0.148 0.000 1.101 599 N HN 0.666 nan 8.380 nan 0.000 0.488 600 H N 2.199 121.182 119.070 -0.144 0.000 2.961 600 H HA 0.549 5.115 4.556 0.016 0.000 0.371 600 H C -1.519 173.855 175.328 0.077 0.000 1.190 600 H CA -0.703 55.312 56.048 -0.056 0.000 1.138 600 H CB 1.213 30.899 29.762 -0.127 0.000 1.816 600 H HN 0.579 nan 8.280 nan 0.000 0.551 601 N N 1.427 119.874 118.700 -0.421 0.000 2.331 601 N HA 0.442 5.193 4.740 0.018 0.000 0.280 601 N C -0.448 174.778 175.510 -0.474 0.000 1.155 601 N CA 0.062 52.930 53.050 -0.304 0.000 0.822 601 N CB 2.295 40.687 38.487 -0.158 0.000 1.619 601 N HN 0.888 nan 8.380 nan 0.000 0.476 602 G N 0.239 108.620 108.800 -0.700 0.000 2.621 602 G HA2 0.203 4.174 3.960 0.018 0.000 0.271 602 G HA3 0.203 4.174 3.960 0.018 0.000 0.271 602 G C -0.557 174.122 174.900 -0.369 0.000 1.236 602 G CA -0.322 44.269 45.100 -0.848 0.000 0.958 602 G HN 0.659 nan 8.290 nan 0.000 0.512 603 Q N -0.628 118.824 119.800 -0.579 0.000 2.313 603 Q HA 0.396 4.747 4.340 0.018 0.000 0.266 603 Q C 1.295 176.790 176.000 -0.840 0.000 0.989 603 Q CA 0.917 56.222 55.803 -0.830 0.000 0.890 603 Q CB 0.349 28.375 28.738 -1.186 0.000 1.200 603 Q HN 1.214 nan 8.270 nan 0.000 0.396 604 G N 2.663 111.089 108.800 -0.622 0.000 2.253 604 G HA2 -0.306 3.665 3.960 0.018 0.000 0.251 604 G HA3 -0.306 3.665 3.960 0.018 0.000 0.251 604 G C -0.547 174.041 174.900 -0.519 0.000 0.998 604 G CA 0.282 45.049 45.100 -0.554 0.000 0.621 604 G HN 0.632 nan 8.290 nan 0.000 0.524 605 Y N 1.297 121.476 120.300 -0.202 0.000 2.299 605 Y HA 0.460 5.021 4.550 0.018 0.000 0.335 605 Y C 1.173 176.990 175.900 -0.138 0.000 1.287 605 Y CA -0.270 57.735 58.100 -0.158 0.000 1.424 605 Y CB 0.467 38.822 38.460 -0.175 0.000 1.326 605 Y HN 0.336 nan 8.280 nan 0.000 0.567 606 K N 1.671 122.111 120.400 0.067 0.000 2.518 606 K HA -0.079 4.252 4.320 0.018 0.000 0.276 606 K C -0.845 175.727 176.600 -0.047 0.000 0.974 606 K CA -0.539 55.737 56.287 -0.019 0.000 0.986 606 K CB 0.288 32.775 32.500 -0.022 0.000 0.901 606 K HN 0.556 nan 8.250 nan 0.000 0.497 607 D N 2.644 122.988 120.400 -0.094 0.000 2.472 607 D HA -0.084 4.567 4.640 0.018 0.000 0.237 607 D C 0.445 176.661 176.300 -0.140 0.000 1.141 607 D CA 0.613 54.555 54.000 -0.096 0.000 0.875 607 D CB 0.895 41.634 40.800 -0.101 0.000 1.192 607 D HN 0.639 nan 8.370 nan 0.000 0.450 608 Q N 0.429 120.218 119.800 -0.018 0.000 2.086 608 Q HA 0.070 4.421 4.340 0.018 0.000 0.220 608 Q C -0.603 175.566 176.000 0.281 0.000 0.792 608 Q CA -0.609 55.286 55.803 0.153 0.000 1.062 608 Q CB 0.303 29.145 28.738 0.174 0.000 1.198 608 Q HN 0.465 nan 8.270 nan 0.000 0.466 609 D N 1.076 121.576 120.400 0.166 0.000 2.399 609 D HA 0.034 4.685 4.640 0.018 0.000 0.241 609 D C -1.831 174.629 176.300 0.267 0.000 1.133 609 D CA -1.215 52.896 54.000 0.186 0.000 0.890 609 D CB 1.518 42.399 40.800 0.135 0.000 1.201 609 D HN -0.133 nan 8.370 nan 0.000 0.432 610 P HA -0.143 nan 4.420 nan 0.000 0.215 610 P C 1.257 178.709 177.300 0.254 0.000 1.153 610 P CA 2.068 65.292 63.100 0.206 0.000 0.853 610 P CB 0.019 31.724 31.700 0.008 0.000 0.788 611 A N -0.228 122.679 122.820 0.144 0.000 2.168 611 A HA -0.091 4.240 4.320 0.018 0.000 0.215 611 A C 2.197 179.842 177.584 0.102 0.000 1.152 611 A CA 1.502 53.606 52.037 0.113 0.000 0.716 611 A CB -1.444 17.600 19.000 0.073 0.000 0.794 611 A HN 0.311 nan 8.150 nan 0.000 0.465 612 S N -1.137 114.610 115.700 0.078 0.000 2.507 612 S HA -0.039 4.442 4.470 0.018 0.000 0.235 612 S C 1.244 175.729 174.600 -0.191 0.000 0.988 612 S CA 0.757 58.909 58.200 -0.080 0.000 0.944 612 S CB -0.764 62.331 63.200 -0.175 0.000 0.762 612 S HN 0.412 nan 8.310 nan 0.000 0.526 613 F N 2.376 122.338 119.950 0.019 0.000 2.780 613 F HA 0.415 4.953 4.527 0.019 0.000 0.299 613 F C 1.508 177.318 175.800 0.017 0.000 1.146 613 F CA 0.493 58.504 58.000 0.019 0.000 1.428 613 F CB -0.026 38.986 39.000 0.020 0.000 1.115 613 F HN 0.491 nan 8.300 nan 0.000 0.583 614 G N -0.284 108.600 108.800 0.139 0.000 3.014 614 G HA2 0.185 4.156 3.960 0.018 0.000 0.683 614 G HA3 0.185 4.156 3.960 0.018 0.000 0.683 614 G C 0.387 175.335 174.900 0.081 0.000 1.271 614 G CA -0.723 44.430 45.100 0.088 0.000 0.843 614 G HN 0.247 nan 8.290 nan 0.000 0.612 615 A N 0.670 123.522 122.820 0.054 0.000 2.125 615 A HA 0.158 4.489 4.320 0.018 0.000 0.219 615 A C 1.506 179.112 177.584 0.036 0.000 1.156 615 A CA 2.266 54.329 52.037 0.043 0.000 0.671 615 A CB 0.015 19.035 19.000 0.032 0.000 0.794 615 A HN 0.587 nan 8.150 nan 0.000 0.459 616 D N -0.659 119.764 120.400 0.038 0.000 2.535 616 D HA 0.117 4.768 4.640 0.018 0.000 0.229 616 D C 0.266 176.587 176.300 0.034 0.000 1.238 616 D CA 0.439 54.456 54.000 0.028 0.000 0.824 616 D CB 0.332 41.144 40.800 0.021 0.000 1.045 616 D HN 0.464 nan 8.370 nan 0.000 0.500 617 S N 0.123 115.854 115.700 0.053 0.000 2.585 617 S HA 0.087 4.568 4.470 0.018 0.000 0.273 617 S C 1.342 175.963 174.600 0.035 0.000 1.339 617 S CA -0.620 57.618 58.200 0.062 0.000 1.028 617 S CB 1.811 65.082 63.200 0.118 0.000 0.906 617 S HN 0.025 nan 8.310 nan 0.000 0.528 618 L N 2.072 123.311 121.223 0.026 0.000 2.083 618 L HA 0.012 4.363 4.340 0.018 0.000 0.209 618 L C 2.122 178.986 176.870 -0.010 0.000 1.083 618 L CA 1.595 56.440 54.840 0.007 0.000 0.752 618 L CB -0.898 41.168 42.059 0.010 0.000 0.899 618 L HN 0.918 nan 8.230 nan 0.000 0.433 619 L N -1.551 119.650 121.223 -0.036 0.000 2.056 619 L HA -0.182 4.169 4.340 0.018 0.000 0.207 619 L C 2.366 179.194 176.870 -0.071 0.000 1.078 619 L CA 1.520 56.291 54.840 -0.117 0.000 0.749 619 L CB -0.251 41.596 42.059 -0.353 0.000 0.901 619 L HN 0.406 nan 8.230 nan 0.000 0.433 620 L N 0.214 121.430 121.223 -0.012 0.000 2.072 620 L HA -0.145 4.206 4.340 0.018 0.000 0.205 620 L C 2.171 179.034 176.870 -0.012 0.000 1.079 620 L CA 1.617 56.458 54.840 0.002 0.000 0.752 620 L CB -0.888 41.199 42.059 0.047 0.000 0.906 620 L HN 0.286 nan 8.230 nan 0.000 0.436 621 N N -0.691 118.006 118.700 -0.004 0.000 2.084 621 N HA -0.190 4.561 4.740 0.018 0.000 0.190 621 N C 2.064 177.574 175.510 0.000 0.000 1.030 621 N CA 1.593 54.637 53.050 -0.009 0.000 0.849 621 N CB -0.609 37.867 38.487 -0.018 0.000 1.012 621 N HN 0.423 nan 8.380 nan 0.000 0.423 622 S N 0.245 115.953 115.700 0.015 0.000 2.368 622 S HA -0.050 4.432 4.470 0.018 0.000 0.225 622 S C 2.036 176.719 174.600 0.139 0.000 1.030 622 S CA 1.349 59.603 58.200 0.090 0.000 0.999 622 S CB -0.221 63.056 63.200 0.128 0.000 0.844 622 S HN 0.284 nan 8.310 nan 0.000 0.459 623 S N 1.143 116.863 115.700 0.034 0.000 2.359 623 S HA -0.111 4.370 4.470 0.018 0.000 0.224 623 S C 1.923 176.471 174.600 -0.087 0.000 1.035 623 S CA 1.366 59.541 58.200 -0.042 0.000 1.018 623 S CB -0.446 62.669 63.200 -0.142 0.000 0.876 623 S HN 0.576 nan 8.310 nan 0.000 0.448 624 R N 0.474 120.926 120.500 -0.079 0.000 2.081 624 R HA -0.154 4.197 4.340 0.018 0.000 0.235 624 R C 2.405 178.653 176.300 -0.087 0.000 1.131 624 R CA 1.497 57.537 56.100 -0.101 0.000 0.960 624 R CB -0.457 29.806 30.300 -0.062 0.000 0.856 624 R HN 0.568 nan 8.270 nan 0.000 0.436 625 H N -0.661 118.313 119.070 -0.161 0.000 2.290 625 H HA -0.199 4.368 4.556 0.018 0.000 0.298 625 H C 1.491 176.634 175.328 -0.308 0.000 1.087 625 H CA 2.346 58.237 56.048 -0.262 0.000 1.291 625 H CB -0.197 29.337 29.762 -0.381 0.000 1.369 625 H HN 0.334 nan 8.280 nan 0.000 0.492 626 Y N 0.336 120.607 120.300 -0.049 0.000 2.337 626 Y HA -0.078 4.482 4.550 0.018 0.000 0.293 626 Y C 2.930 178.704 175.900 -0.209 0.000 1.123 626 Y CA 0.330 58.379 58.100 -0.084 0.000 1.201 626 Y CB 0.016 38.519 38.460 0.073 0.000 1.011 626 Y HN 0.105 nan 8.280 nan 0.000 0.545 627 L N -0.172 120.995 121.223 -0.093 0.000 2.131 627 L HA -0.252 4.099 4.340 0.018 0.000 0.210 627 L C 1.694 178.519 176.870 -0.075 0.000 1.092 627 L CA 1.494 56.257 54.840 -0.128 0.000 0.759 627 L CB -0.496 41.408 42.059 -0.258 0.000 0.903 627 L HN 0.331 nan 8.230 nan 0.000 0.435 628 N N -0.105 118.509 118.700 -0.143 0.000 2.188 628 N HA -0.139 4.612 4.740 0.018 0.000 0.184 628 N C 1.904 177.418 175.510 0.006 0.000 1.018 628 N CA 0.871 53.866 53.050 -0.091 0.000 0.858 628 N CB 0.022 38.430 38.487 -0.132 0.000 0.989 628 N HN 0.237 nan 8.380 nan 0.000 0.426 629 I N 0.897 121.421 120.570 -0.078 0.000 2.179 629 I HA -0.291 3.890 4.170 0.018 0.000 0.242 629 I C 2.612 178.786 176.117 0.096 0.000 1.088 629 I CA 0.961 62.256 61.300 -0.007 0.000 1.357 629 I CB -0.268 37.687 38.000 -0.075 0.000 1.051 629 I HN 0.177 nan 8.210 nan 0.000 0.409 630 R N 0.416 120.937 120.500 0.036 0.000 2.112 630 R HA -0.260 4.091 4.340 0.018 0.000 0.242 630 R C 2.467 178.974 176.300 0.345 0.000 1.137 630 R CA 2.182 58.368 56.100 0.144 0.000 0.944 630 R CB -0.491 29.838 30.300 0.048 0.000 0.857 630 R HN 0.247 nan 8.270 nan 0.000 0.435 631 Y N 0.604 120.979 120.300 0.126 0.000 2.293 631 Y HA -0.126 4.435 4.550 0.018 0.000 0.291 631 Y C 2.609 178.641 175.900 0.220 0.000 1.137 631 Y CA 1.776 59.978 58.100 0.169 0.000 1.202 631 Y CB -0.480 38.055 38.460 0.125 0.000 0.990 631 Y HN 0.147 nan 8.280 nan 0.000 0.537 632 T N 0.060 114.822 114.554 0.346 0.000 2.788 632 T HA -0.146 4.215 4.350 0.018 0.000 0.268 632 T C 1.630 176.549 174.700 0.366 0.000 1.044 632 T CA 1.232 63.516 62.100 0.308 0.000 1.139 632 T CB -0.414 68.611 68.868 0.263 0.000 0.867 632 T HN 0.216 nan 8.240 nan 0.000 0.454 633 L N 0.669 122.143 121.223 0.418 0.000 2.629 633 L HA 0.290 4.641 4.340 0.018 0.000 0.230 633 L C 1.787 179.022 176.870 0.608 0.000 1.151 633 L CA -0.081 55.102 54.840 0.572 0.000 0.924 633 L CB -0.376 42.086 42.059 0.671 0.000 1.137 633 L HN 0.220 nan 8.230 nan 0.000 0.457 634 L N 0.460 121.938 121.223 0.426 0.000 2.079 634 L HA -0.165 4.186 4.340 0.018 0.000 0.210 634 L C -0.222 176.906 176.870 0.429 0.000 1.081 634 L CA 1.516 56.515 54.840 0.265 0.000 0.752 634 L CB -1.435 40.616 42.059 -0.013 0.000 0.896 634 L HN 0.287 nan 8.230 nan 0.000 0.433 635 P HA -0.218 nan 4.420 nan 0.000 0.217 635 P C 1.278 179.012 177.300 0.723 0.000 1.150 635 P CA 1.221 64.789 63.100 0.779 0.000 0.832 635 P CB -0.054 32.065 31.700 0.698 0.000 0.787 636 Y N 0.521 121.151 120.300 0.549 0.000 2.163 636 Y HA -0.158 4.403 4.550 0.018 0.000 0.288 636 Y C 2.089 178.243 175.900 0.422 0.000 1.136 636 Y CA 1.157 59.574 58.100 0.528 0.000 1.147 636 Y CB -1.196 37.639 38.460 0.626 0.000 0.987 636 Y HN -0.226 nan 8.280 nan 0.000 0.509 637 L N -0.484 120.875 121.223 0.227 0.000 2.042 637 L HA -0.234 4.117 4.340 0.018 0.000 0.210 637 L C 2.229 179.192 176.870 0.155 0.000 1.076 637 L CA 2.055 56.829 54.840 -0.110 0.000 0.749 637 L CB -1.405 40.500 42.059 -0.257 0.000 0.893 637 L HN 0.408 nan 8.230 nan 0.000 0.432 638 Y N -0.053 120.337 120.300 0.151 0.000 2.242 638 Y HA -0.204 4.358 4.550 0.020 0.000 0.291 638 Y C 2.454 178.545 175.900 0.317 0.000 1.137 638 Y CA 2.026 60.262 58.100 0.227 0.000 1.181 638 Y CB -0.738 37.877 38.460 0.260 0.000 0.989 638 Y HN 0.218 nan 8.280 nan 0.000 0.527 639 T N 1.135 115.907 114.554 0.363 0.000 2.788 639 T HA -0.167 4.194 4.350 0.018 0.000 0.268 639 T C 2.108 176.872 174.700 0.108 0.000 1.044 639 T CA 1.605 63.883 62.100 0.297 0.000 1.139 639 T CB -0.468 68.659 68.868 0.432 0.000 0.867 639 T HN 0.291 nan 8.240 nan 0.000 0.454 640 L N -0.369 120.821 121.223 -0.054 0.000 2.046 640 L HA -0.065 4.287 4.340 0.018 0.000 0.208 640 L C 2.295 178.998 176.870 -0.279 0.000 1.077 640 L CA 1.446 56.147 54.840 -0.232 0.000 0.747 640 L CB -0.642 41.157 42.059 -0.433 0.000 0.896 640 L HN 0.212 nan 8.230 nan 0.000 0.432 641 F N -0.604 119.229 119.950 -0.195 0.000 2.171 641 F HA -0.254 4.285 4.527 0.020 0.000 0.300 641 F C 2.371 177.998 175.800 -0.289 0.000 1.090 641 F CA 1.516 59.384 58.000 -0.220 0.000 1.293 641 F CB -0.606 38.279 39.000 -0.192 0.000 1.013 641 F HN -0.005 nan 8.300 nan 0.000 0.486 642 F N 1.186 120.910 119.950 -0.378 0.000 2.095 642 F HA -0.202 4.336 4.527 0.018 0.000 0.298 642 F C 2.388 177.955 175.800 -0.390 0.000 1.104 642 F CA 1.550 59.152 58.000 -0.663 0.000 1.232 642 F CB -0.374 37.866 39.000 -1.268 0.000 0.987 642 F HN -0.269 nan 8.300 nan 0.000 0.475 643 R N 0.922 121.079 120.500 -0.571 0.000 2.096 643 R HA -0.041 4.310 4.340 0.018 0.000 0.235 643 R C 2.445 178.491 176.300 -0.424 0.000 1.127 643 R CA 1.177 56.941 56.100 -0.560 0.000 0.968 643 R CB -1.689 28.450 30.300 -0.268 0.000 0.861 643 R HN 0.463 nan 8.270 nan 0.000 0.440 644 A N 0.320 122.947 122.820 -0.321 0.000 1.902 644 A HA -0.225 4.106 4.320 0.018 0.000 0.217 644 A C 2.102 179.536 177.584 -0.249 0.000 1.181 644 A CA 1.928 53.812 52.037 -0.256 0.000 0.623 644 A CB -0.691 18.169 19.000 -0.233 0.000 0.818 644 A HN 0.474 nan 8.150 nan 0.000 0.443 645 H N 0.493 119.364 119.070 -0.331 0.000 2.395 645 H HA -0.056 4.512 4.556 0.019 0.000 0.299 645 H C 2.243 177.352 175.328 -0.365 0.000 1.070 645 H CA 2.247 58.109 56.048 -0.311 0.000 1.356 645 H CB -0.012 29.580 29.762 -0.283 0.000 1.401 645 H HN 0.516 nan 8.280 nan 0.000 0.524 646 S N -1.336 113.981 115.700 -0.638 0.000 2.483 646 S HA 0.069 4.550 4.470 0.018 0.000 0.221 646 S C 2.100 176.421 174.600 -0.464 0.000 1.030 646 S CA 0.385 58.201 58.200 -0.640 0.000 0.925 646 S CB 0.335 63.044 63.200 -0.818 0.000 0.795 646 S HN 0.457 nan 8.310 nan 0.000 0.511 647 R N 0.079 120.321 120.500 -0.429 0.000 2.412 647 R HA 0.356 4.708 4.340 0.018 0.000 0.212 647 R C 1.138 177.287 176.300 -0.251 0.000 0.878 647 R CA 0.838 56.761 56.100 -0.295 0.000 1.022 647 R CB 0.479 30.621 30.300 -0.264 0.000 1.265 647 R HN 0.543 nan 8.270 nan 0.000 0.620 648 G N 1.600 110.235 108.800 -0.275 0.000 2.144 648 G HA2 -0.200 3.771 3.960 0.018 0.000 0.218 648 G HA3 -0.200 3.771 3.960 0.018 0.000 0.218 648 G C -0.807 173.982 174.900 -0.185 0.000 0.988 648 G CA 0.108 45.063 45.100 -0.242 0.000 0.659 648 G HN 0.385 nan 8.290 nan 0.000 0.522 649 D N 1.574 121.871 120.400 -0.173 0.000 2.400 649 D HA 0.452 5.103 4.640 0.018 0.000 0.238 649 D C 1.483 177.707 176.300 -0.127 0.000 1.157 649 D CA 1.031 54.961 54.000 -0.117 0.000 0.889 649 D CB 0.635 41.366 40.800 -0.116 0.000 1.199 649 D HN 0.474 nan 8.370 nan 0.000 0.436 650 T N -2.068 112.445 114.554 -0.069 0.000 2.828 650 T HA 0.302 4.663 4.350 0.018 0.000 0.290 650 T C 0.991 175.587 174.700 -0.172 0.000 1.019 650 T CA -0.810 61.230 62.100 -0.099 0.000 1.031 650 T CB 0.874 69.713 68.868 -0.048 0.000 1.001 650 T HN 0.067 nan 8.240 nan 0.000 0.531 651 V N 0.637 120.401 119.914 -0.251 0.000 2.635 651 V HA 0.403 4.535 4.120 0.018 0.000 0.233 651 V C 1.636 177.633 176.094 -0.162 0.000 1.097 651 V CA 0.622 62.696 62.300 -0.376 0.000 1.134 651 V CB -0.853 30.486 31.823 -0.806 0.000 0.841 651 V HN 1.150 nan 8.190 nan 0.000 0.496 652 A N 1.587 124.367 122.820 -0.067 0.000 2.354 652 A HA 0.578 4.909 4.320 0.018 0.000 0.281 652 A C 0.136 177.764 177.584 0.073 0.000 1.174 652 A CA 0.139 52.281 52.037 0.175 0.000 0.828 652 A CB -0.088 18.988 19.000 0.127 0.000 1.099 652 A HN 0.451 nan 8.150 nan 0.000 0.516 653 R N 3.264 123.864 120.500 0.167 0.000 2.621 653 R HA 0.543 4.894 4.340 0.018 0.000 0.292 653 R C -3.120 173.178 176.300 -0.003 0.000 0.969 653 R CA -1.957 54.138 56.100 -0.009 0.000 0.887 653 R CB 2.042 32.386 30.300 0.073 0.000 1.180 653 R HN 0.388 nan 8.270 nan 0.000 0.450 654 P HA 0.038 nan 4.420 nan 0.000 0.272 654 P C 0.314 177.691 177.300 0.128 0.000 1.223 654 P CA -0.354 62.674 63.100 -0.121 0.000 0.784 654 P CB 0.632 32.187 31.700 -0.242 0.000 0.923 655 L N 2.292 123.657 121.223 0.237 0.000 2.081 655 L HA -0.201 4.150 4.340 0.018 0.000 0.212 655 L C 2.041 179.204 176.870 0.487 0.000 1.080 655 L CA 1.894 56.979 54.840 0.408 0.000 0.754 655 L CB -1.567 40.720 42.059 0.380 0.000 0.893 655 L HN 0.441 nan 8.230 nan 0.000 0.433 656 L N -3.802 117.675 121.223 0.424 0.000 2.362 656 L HA -0.112 4.239 4.340 0.018 0.000 0.219 656 L C 2.244 179.415 176.870 0.501 0.000 1.134 656 L CA 1.546 56.684 54.840 0.496 0.000 0.807 656 L CB -1.148 41.191 42.059 0.465 0.000 0.927 656 L HN 0.297 nan 8.230 nan 0.000 0.447 657 H N -0.271 118.935 119.070 0.226 0.000 2.462 657 H HA 0.017 4.584 4.556 0.019 0.000 0.292 657 H C 1.398 176.853 175.328 0.212 0.000 1.049 657 H CA 1.085 57.263 56.048 0.217 0.000 1.334 657 H CB 0.499 30.333 29.762 0.120 0.000 1.404 657 H HN 0.483 nan 8.280 nan 0.000 0.544 658 E N 0.123 120.413 120.200 0.150 0.000 2.307 658 E HA 0.011 4.372 4.350 0.018 0.000 0.195 658 E C 0.088 176.247 176.600 -0.735 0.000 0.975 658 E CA 0.372 56.564 56.400 -0.347 0.000 0.878 658 E CB 0.393 29.691 29.700 -0.670 0.000 0.845 658 E HN 0.342 nan 8.360 nan 0.000 0.488 659 F N 0.521 120.504 119.950 0.055 0.000 2.841 659 F HA 0.125 4.663 4.527 0.018 0.000 0.358 659 F C 0.822 176.660 175.800 0.064 0.000 1.261 659 F CA -0.877 57.121 58.000 -0.003 0.000 1.233 659 F CB -0.403 38.704 39.000 0.179 0.000 1.008 659 F HN -0.045 nan 8.300 nan 0.000 0.507 660 Y N -0.883 119.662 120.300 0.409 0.000 2.365 660 Y HA -0.153 4.408 4.550 0.018 0.000 0.287 660 Y C 1.589 177.843 175.900 0.590 0.000 1.162 660 Y CA 0.947 59.339 58.100 0.486 0.000 1.260 660 Y CB -1.145 37.460 38.460 0.241 0.000 0.976 660 Y HN 0.239 nan 8.280 nan 0.000 0.548 661 E N 0.079 120.462 120.200 0.305 0.000 2.347 661 E HA -0.132 4.229 4.350 0.018 0.000 0.196 661 E C 0.013 176.770 176.600 0.262 0.000 1.008 661 E CA 0.807 57.411 56.400 0.340 0.000 0.852 661 E CB -0.026 29.787 29.700 0.188 0.000 0.783 661 E HN 0.370 nan 8.360 nan 0.000 0.505 662 D N 0.852 121.393 120.400 0.234 0.000 2.454 662 D HA -0.017 4.634 4.640 0.018 0.000 0.225 662 D C 0.784 176.910 176.300 -0.289 0.000 1.081 662 D CA -0.385 53.641 54.000 0.043 0.000 0.864 662 D CB 0.353 41.246 40.800 0.155 0.000 1.040 662 D HN -0.040 nan 8.370 nan 0.000 0.517 663 N N 2.072 120.336 118.700 -0.727 0.000 2.348 663 N HA -0.179 4.572 4.740 0.018 0.000 0.185 663 N C 0.787 175.757 175.510 -0.899 0.000 1.019 663 N CA 0.582 52.647 53.050 -1.642 0.000 0.880 663 N CB -0.178 37.417 38.487 -1.487 0.000 0.965 663 N HN 0.125 nan 8.380 nan 0.000 0.437 664 S N -0.272 115.088 115.700 -0.567 0.000 2.500 664 S HA -0.093 4.389 4.470 0.018 0.000 0.239 664 S C 1.723 175.980 174.600 -0.572 0.000 0.989 664 S CA 1.474 59.303 58.200 -0.619 0.000 0.951 664 S CB -0.505 62.132 63.200 -0.939 0.000 0.759 664 S HN 0.825 nan 8.310 nan 0.000 0.523 665 T N -2.550 111.843 114.554 -0.268 0.000 3.065 665 T HA 0.045 4.406 4.350 0.018 0.000 0.252 665 T C 1.140 176.045 174.700 0.342 0.000 1.099 665 T CA -0.178 61.966 62.100 0.073 0.000 1.063 665 T CB -0.282 68.775 68.868 0.315 0.000 0.948 665 T HN 0.386 nan 8.240 nan 0.000 0.506 666 W N 2.130 123.509 121.300 0.131 0.000 2.465 666 W HA 0.222 4.893 4.660 0.018 0.000 0.268 666 W C 1.040 177.733 176.519 0.289 0.000 1.242 666 W CA -0.027 57.461 57.345 0.239 0.000 1.248 666 W CB -0.706 28.883 29.460 0.215 0.000 1.118 666 W HN 0.350 nan 8.180 nan 0.000 0.587 667 D N -1.311 119.331 120.400 0.403 0.000 2.369 667 D HA 0.064 4.715 4.640 0.018 0.000 0.211 667 D C 0.196 176.737 176.300 0.402 0.000 1.077 667 D CA 0.224 54.430 54.000 0.343 0.000 0.842 667 D CB 0.501 41.430 40.800 0.216 0.000 0.947 667 D HN -0.333 nan 8.370 nan 0.000 0.509 668 V N 1.521 121.637 119.914 0.338 0.000 2.470 668 V HA 0.109 4.240 4.120 0.018 0.000 0.276 668 V C 0.727 177.023 176.094 0.336 0.000 1.040 668 V CA 0.427 62.882 62.300 0.259 0.000 1.008 668 V CB 0.746 32.668 31.823 0.164 0.000 0.990 668 V HN 0.383 nan 8.190 nan 0.000 0.477 669 H N 1.402 120.576 119.070 0.173 0.000 3.540 669 H HA 0.320 4.887 4.556 0.018 0.000 0.259 669 H C 0.937 176.352 175.328 0.145 0.000 1.197 669 H CA -0.284 55.865 56.048 0.168 0.000 1.136 669 H CB 0.230 30.133 29.762 0.236 0.000 1.605 669 H HN 0.501 nan 8.280 nan 0.000 0.657 670 Q N 0.626 120.292 119.800 -0.224 0.000 2.247 670 Q HA 0.256 4.607 4.340 0.018 0.000 0.211 670 Q C -0.322 175.679 176.000 0.002 0.000 0.861 670 Q CA 0.156 55.881 55.803 -0.131 0.000 0.949 670 Q CB 1.072 29.674 28.738 -0.226 0.000 1.115 670 Q HN 0.548 nan 8.270 nan 0.000 0.507 671 Q N -0.110 119.726 119.800 0.061 0.000 2.456 671 Q HA 0.613 4.964 4.340 0.018 0.000 0.283 671 Q C -1.136 175.009 176.000 0.241 0.000 1.084 671 Q CA -0.773 55.068 55.803 0.064 0.000 0.801 671 Q CB 2.215 30.925 28.738 -0.047 0.000 1.434 671 Q HN 0.086 nan 8.270 nan 0.000 0.419 672 F N -1.731 118.212 119.950 -0.010 0.000 2.789 672 F HA 0.729 5.267 4.527 0.018 0.000 0.319 672 F C -2.014 173.835 175.800 0.082 0.000 1.168 672 F CA -1.345 56.677 58.000 0.037 0.000 0.934 672 F CB 1.034 40.062 39.000 0.047 0.000 1.375 672 F HN 0.313 nan 8.300 nan 0.000 0.480 673 L N 0.847 122.199 121.223 0.214 0.000 2.330 673 L HA 0.409 4.760 4.340 0.018 0.000 0.271 673 L C -1.379 175.755 176.870 0.440 0.000 1.013 673 L CA -0.720 54.237 54.840 0.196 0.000 0.816 673 L CB 1.462 43.695 42.059 0.290 0.000 1.287 673 L HN 0.552 nan 8.230 nan 0.000 0.435 674 W N 2.167 123.559 121.300 0.154 0.000 2.342 674 W HA 0.513 5.184 4.660 0.017 0.000 0.310 674 W C 0.916 177.580 176.519 0.241 0.000 1.128 674 W CA 0.053 57.536 57.345 0.230 0.000 1.322 674 W CB 0.164 29.820 29.460 0.327 0.000 1.251 674 W HN 0.803 nan 8.180 nan 0.000 0.439 675 G N 5.680 114.638 108.800 0.264 0.000 2.594 675 G HA2 -0.300 3.671 3.960 0.018 0.000 0.297 675 G HA3 -0.300 3.671 3.960 0.018 0.000 0.297 675 G C -1.310 173.727 174.900 0.228 0.000 1.273 675 G CA 0.345 45.547 45.100 0.171 0.000 0.974 675 G HN 0.354 nan 8.290 nan 0.000 0.552 676 P HA 0.164 nan 4.420 nan 0.000 0.245 676 P C 1.261 178.478 177.300 -0.138 0.000 1.203 676 P CA 2.038 65.115 63.100 -0.038 0.000 0.792 676 P CB 0.236 31.853 31.700 -0.138 0.000 0.997 677 G N -0.674 108.226 108.800 0.168 0.000 2.727 677 G HA2 0.216 4.187 3.960 0.018 0.000 0.207 677 G HA3 0.216 4.187 3.960 0.018 0.000 0.207 677 G C -0.146 175.092 174.900 0.564 0.000 1.060 677 G CA 0.169 45.419 45.100 0.250 0.000 0.814 677 G HN 0.194 nan 8.290 nan 0.000 0.576 678 L N 1.653 123.185 121.223 0.514 0.000 2.298 678 L HA 0.726 5.077 4.340 0.018 0.000 0.284 678 L C -1.106 175.835 176.870 0.117 0.000 1.013 678 L CA -1.106 53.885 54.840 0.252 0.000 0.824 678 L CB 1.731 43.876 42.059 0.143 0.000 1.221 678 L HN -0.054 nan 8.230 nan 0.000 0.418 679 L N 6.580 127.833 121.223 0.049 0.000 2.265 679 L HA 0.578 4.929 4.340 0.018 0.000 0.288 679 L C -0.837 175.800 176.870 -0.387 0.000 1.058 679 L CA 0.214 54.936 54.840 -0.197 0.000 0.809 679 L CB 0.816 42.580 42.059 -0.493 0.000 1.179 679 L HN 0.579 nan 8.230 nan 0.000 0.429 680 I N 4.451 124.689 120.570 -0.554 0.000 2.354 680 I HA 0.387 4.568 4.170 0.018 0.000 0.292 680 I C -0.181 175.656 176.117 -0.467 0.000 0.989 680 I CA -0.015 60.866 61.300 -0.699 0.000 1.188 680 I CB 1.690 39.014 38.000 -1.127 0.000 1.342 680 I HN 0.544 nan 8.210 nan 0.000 0.457 681 T N 6.989 121.330 114.554 -0.356 0.000 3.064 681 T HA 0.342 4.703 4.350 0.018 0.000 0.367 681 T C -2.588 171.996 174.700 -0.193 0.000 1.202 681 T CA -1.193 60.769 62.100 -0.230 0.000 1.133 681 T CB 0.755 69.504 68.868 -0.197 0.000 1.074 681 T HN 0.300 nan 8.240 nan 0.000 0.519 682 P HA 0.358 nan 4.420 nan 0.000 0.281 682 P C -0.299 176.957 177.300 -0.074 0.000 1.249 682 P CA -0.476 62.556 63.100 -0.114 0.000 0.810 682 P CB 1.104 32.765 31.700 -0.065 0.000 1.008 683 V N 3.740 123.625 119.914 -0.049 0.000 2.530 683 V HA 0.079 4.210 4.120 0.018 0.000 0.282 683 V C 1.372 177.502 176.094 0.061 0.000 1.048 683 V CA 0.368 62.663 62.300 -0.007 0.000 0.997 683 V CB 0.267 32.096 31.823 0.010 0.000 0.987 683 V HN 0.453 nan 8.190 nan 0.000 0.477 684 L N 3.312 124.571 121.223 0.060 0.000 3.135 684 L HA 0.433 4.784 4.340 0.018 0.000 0.279 684 L C -0.305 176.671 176.870 0.176 0.000 1.200 684 L CA 0.073 54.992 54.840 0.131 0.000 1.016 684 L CB 0.608 42.681 42.059 0.022 0.000 1.391 684 L HN 0.553 nan 8.230 nan 0.000 0.588 685 D N 1.235 121.612 120.400 -0.038 0.000 2.505 685 D HA 0.150 4.801 4.640 0.018 0.000 0.249 685 D C -0.447 175.339 176.300 -0.856 0.000 1.082 685 D CA -0.281 53.513 54.000 -0.344 0.000 0.839 685 D CB 2.332 42.996 40.800 -0.226 0.000 1.317 685 D HN 0.018 nan 8.370 nan 0.000 0.497 686 E N 0.439 119.728 120.200 -1.518 0.000 2.465 686 E HA 0.211 4.572 4.350 0.018 0.000 0.260 686 E C 1.048 177.226 176.600 -0.702 0.000 0.980 686 E CA 0.641 56.017 56.400 -1.707 0.000 0.927 686 E CB 0.310 29.095 29.700 -1.524 0.000 0.934 686 E HN 0.712 nan 8.360 nan 0.000 0.459 687 G N 2.582 111.118 108.800 -0.439 0.000 2.234 687 G HA2 -0.346 3.625 3.960 0.018 0.000 0.260 687 G HA3 -0.346 3.625 3.960 0.018 0.000 0.260 687 G C 0.291 175.095 174.900 -0.161 0.000 0.987 687 G CA 0.153 45.124 45.100 -0.215 0.000 0.625 687 G HN 0.892 nan 8.290 nan 0.000 0.532 688 A N 0.138 122.839 122.820 -0.199 0.000 2.388 688 A HA 0.657 4.988 4.320 0.018 0.000 0.257 688 A C 0.693 178.236 177.584 -0.067 0.000 1.095 688 A CA 0.601 52.562 52.037 -0.127 0.000 0.791 688 A CB 0.322 19.237 19.000 -0.140 0.000 1.029 688 A HN 0.413 nan 8.150 nan 0.000 0.489 689 E N 0.817 120.987 120.200 -0.050 0.000 2.789 689 E HA 0.185 4.546 4.350 0.018 0.000 0.208 689 E C -0.827 175.757 176.600 -0.026 0.000 0.988 689 E CA 0.077 56.461 56.400 -0.026 0.000 1.092 689 E CB 0.426 30.117 29.700 -0.016 0.000 1.066 689 E HN 0.616 nan 8.360 nan 0.000 0.465 690 K N 0.224 120.599 120.400 -0.042 0.000 2.575 690 K HA 0.511 4.842 4.320 0.018 0.000 0.279 690 K C -1.789 174.769 176.600 -0.070 0.000 0.969 690 K CA -0.680 55.576 56.287 -0.051 0.000 0.868 690 K CB 3.092 35.559 32.500 -0.055 0.000 1.457 690 K HN -0.120 nan 8.250 nan 0.000 0.426 691 V N 2.876 122.737 119.914 -0.089 0.000 2.808 691 V HA 0.415 4.546 4.120 0.018 0.000 0.308 691 V C -1.232 174.777 176.094 -0.142 0.000 1.099 691 V CA -0.859 61.377 62.300 -0.106 0.000 0.920 691 V CB 2.056 33.818 31.823 -0.101 0.000 1.014 691 V HN 0.694 nan 8.190 nan 0.000 0.425 692 M N 5.062 124.585 119.600 -0.128 0.000 2.251 692 M HA 0.522 5.013 4.480 0.018 0.000 0.346 692 M C 0.092 176.299 176.300 -0.155 0.000 1.499 692 M CA 0.398 55.613 55.300 -0.142 0.000 1.128 692 M CB 0.328 32.868 32.600 -0.099 0.000 1.809 692 M HN 0.827 nan 8.290 nan 0.000 0.464 693 A N 4.772 127.462 122.820 -0.217 0.000 2.435 693 A HA 0.640 4.971 4.320 0.018 0.000 0.304 693 A C -1.748 175.710 177.584 -0.211 0.000 1.064 693 A CA -0.641 51.258 52.037 -0.229 0.000 0.727 693 A CB 1.331 20.132 19.000 -0.331 0.000 1.284 693 A HN 0.673 nan 8.150 nan 0.000 0.415 694 Y N 1.748 121.883 120.300 -0.275 0.000 2.326 694 Y HA 0.506 5.067 4.550 0.018 0.000 0.337 694 Y C -0.462 175.220 175.900 -0.362 0.000 1.023 694 Y CA -0.425 57.512 58.100 -0.271 0.000 1.143 694 Y CB 1.451 39.807 38.460 -0.173 0.000 1.183 694 Y HN 0.399 nan 8.280 nan 0.000 0.485 695 V N 9.759 129.035 119.914 -1.064 0.000 2.318 695 V HA 0.310 4.441 4.120 0.018 0.000 0.271 695 V C -2.118 173.422 176.094 -0.922 0.000 1.030 695 V CA -2.026 59.733 62.300 -0.903 0.000 0.844 695 V CB 0.812 32.274 31.823 -0.602 0.000 1.015 695 V HN 0.728 nan 8.190 nan 0.000 0.460 696 P HA 0.046 nan 4.420 nan 0.000 0.272 696 P C -0.242 176.961 177.300 -0.161 0.000 1.254 696 P CA -0.318 62.502 63.100 -0.468 0.000 0.795 696 P CB 0.487 31.490 31.700 -1.161 0.000 1.022 697 D N -0.096 120.209 120.400 -0.158 0.000 2.600 697 D HA 0.386 5.037 4.640 0.018 0.000 0.226 697 D C -0.743 175.600 176.300 0.072 0.000 1.119 697 D CA 0.290 54.306 54.000 0.027 0.000 1.051 697 D CB -1.232 39.635 40.800 0.111 0.000 1.106 697 D HN 0.315 nan 8.370 nan 0.000 0.491 698 A N 1.326 124.133 122.820 -0.021 0.000 2.602 698 A HA 0.541 4.872 4.320 0.018 0.000 0.290 698 A C -0.938 176.410 177.584 -0.394 0.000 1.114 698 A CA -0.732 51.171 52.037 -0.223 0.000 0.683 698 A CB 1.076 19.800 19.000 -0.460 0.000 1.281 698 A HN 0.051 nan 8.150 nan 0.000 0.416 699 V N 0.424 120.108 119.914 -0.384 0.000 2.572 699 V HA 0.257 4.388 4.120 0.018 0.000 0.291 699 V C -0.737 174.963 176.094 -0.658 0.000 1.039 699 V CA 0.766 62.828 62.300 -0.396 0.000 1.055 699 V CB -0.044 31.618 31.823 -0.269 0.000 0.969 699 V HN 0.708 nan 8.190 nan 0.000 0.482 700 W N 3.924 125.053 121.300 -0.284 0.000 2.819 700 W HA 0.666 5.337 4.660 0.018 0.000 0.337 700 W C -1.010 175.308 176.519 -0.335 0.000 1.077 700 W CA -0.596 56.646 57.345 -0.173 0.000 1.226 700 W CB 1.500 30.912 29.460 -0.080 0.000 1.419 700 W HN 0.415 nan 8.180 nan 0.000 0.502 701 Y N 1.002 121.531 120.300 0.381 0.000 2.409 701 Y HA 0.206 4.767 4.550 0.018 0.000 0.343 701 Y C 0.097 176.138 175.900 0.235 0.000 0.973 701 Y CA -1.279 56.957 58.100 0.227 0.000 1.064 701 Y CB 1.406 39.930 38.460 0.107 0.000 1.207 701 Y HN 0.356 nan 8.280 nan 0.000 0.452 702 D N 1.514 122.091 120.400 0.296 0.000 2.487 702 D HA -0.135 4.516 4.640 0.018 0.000 0.243 702 D C 0.772 177.070 176.300 -0.003 0.000 1.154 702 D CA 0.502 54.521 54.000 0.031 0.000 0.876 702 D CB 0.505 41.319 40.800 0.023 0.000 1.161 702 D HN 0.599 nan 8.370 nan 0.000 0.478 703 Y N 3.724 123.910 120.300 -0.190 0.000 2.165 703 Y HA -0.181 4.380 4.550 0.019 0.000 0.286 703 Y C 1.635 177.479 175.900 -0.092 0.000 1.155 703 Y CA 1.654 59.665 58.100 -0.148 0.000 1.164 703 Y CB 0.196 38.533 38.460 -0.204 0.000 0.978 703 Y HN 0.570 nan 8.280 nan 0.000 0.513 704 E N -1.077 119.118 120.200 -0.008 0.000 2.076 704 E HA -0.127 4.234 4.350 0.018 0.000 0.190 704 E C 2.121 178.654 176.600 -0.111 0.000 0.979 704 E CA 1.722 58.100 56.400 -0.036 0.000 0.807 704 E CB -0.171 29.593 29.700 0.107 0.000 0.761 704 E HN 0.613 nan 8.360 nan 0.000 0.454 705 T N -3.137 111.371 114.554 -0.076 0.000 3.051 705 T HA 0.188 4.549 4.350 0.018 0.000 0.255 705 T C 1.655 176.301 174.700 -0.091 0.000 1.085 705 T CA 0.729 62.785 62.100 -0.074 0.000 1.109 705 T CB 0.499 69.341 68.868 -0.044 0.000 0.921 705 T HN 0.284 nan 8.240 nan 0.000 0.488 706 G N 1.081 109.830 108.800 -0.086 0.000 2.184 706 G HA2 -0.282 3.690 3.960 0.018 0.000 0.264 706 G HA3 -0.282 3.690 3.960 0.018 0.000 0.264 706 G C 0.243 175.189 174.900 0.076 0.000 0.975 706 G CA 0.431 45.492 45.100 -0.064 0.000 0.642 706 G HN 0.973 nan 8.290 nan 0.000 0.536 707 S N -0.085 115.657 115.700 0.070 0.000 2.549 707 S HA 0.398 4.879 4.470 0.018 0.000 0.283 707 S C 0.611 175.310 174.600 0.165 0.000 1.320 707 S CA 0.318 58.569 58.200 0.086 0.000 1.058 707 S CB 0.873 64.072 63.200 -0.002 0.000 0.882 707 S HN 0.567 nan 8.310 nan 0.000 0.498 708 Q N 3.906 123.795 119.800 0.148 0.000 2.286 708 Q HA 0.282 4.633 4.340 0.018 0.000 0.267 708 Q C 0.054 175.962 176.000 -0.154 0.000 1.028 708 Q CA -0.621 55.132 55.803 -0.084 0.000 0.901 708 Q CB 0.590 29.251 28.738 -0.129 0.000 1.183 708 Q HN 0.695 nan 8.270 nan 0.000 0.392 709 V N 2.855 122.653 119.914 -0.192 0.000 2.924 709 V HA 0.205 4.336 4.120 0.018 0.000 0.305 709 V C 0.723 176.608 176.094 -0.348 0.000 1.073 709 V CA -0.542 61.541 62.300 -0.363 0.000 1.098 709 V CB 1.411 32.988 31.823 -0.409 0.000 1.000 709 V HN 0.822 nan 8.190 nan 0.000 0.484 710 R N 1.711 121.901 120.500 -0.517 0.000 2.153 710 R HA 0.162 4.513 4.340 0.018 0.000 0.218 710 R C 0.573 176.788 176.300 -0.143 0.000 1.072 710 R CA 0.143 56.062 56.100 -0.301 0.000 0.990 710 R CB -0.338 29.794 30.300 -0.280 0.000 0.889 710 R HN 0.839 nan 8.270 nan 0.000 0.452 711 W N 1.871 123.119 121.300 -0.087 0.000 2.181 711 W HA 0.270 4.941 4.660 0.018 0.000 0.335 711 W C 0.606 177.072 176.519 -0.088 0.000 1.310 711 W CA -0.420 56.855 57.345 -0.118 0.000 1.226 711 W CB -0.074 29.271 29.460 -0.193 0.000 1.155 711 W HN -0.056 nan 8.180 nan 0.000 0.565 712 R N 2.355 122.932 120.500 0.129 0.000 2.522 712 R HA 0.112 4.463 4.340 0.018 0.000 0.273 712 R C -0.123 176.152 176.300 -0.041 0.000 1.133 712 R CA -0.848 55.286 56.100 0.057 0.000 0.969 712 R CB 0.861 31.192 30.300 0.051 0.000 1.235 712 R HN 0.560 nan 8.270 nan 0.000 0.433 713 K N 3.166 123.483 120.400 -0.138 0.000 3.419 713 K HA -0.247 4.084 4.320 0.018 0.000 0.272 713 K C -1.534 174.966 176.600 -0.166 0.000 0.973 713 K CA 1.797 57.990 56.287 -0.155 0.000 0.749 713 K CB -0.711 31.797 32.500 0.013 0.000 1.403 713 K HN 0.789 nan 8.250 nan 0.000 0.456 714 Q N -0.588 118.931 119.800 -0.467 0.000 2.578 714 Q HA 0.376 4.728 4.340 0.018 0.000 0.284 714 Q C -1.544 174.225 176.000 -0.386 0.000 0.960 714 Q CA -1.436 54.230 55.803 -0.229 0.000 0.809 714 Q CB 0.911 29.578 28.738 -0.118 0.000 1.462 714 Q HN 0.074 nan 8.270 nan 0.000 0.392 715 K N 0.971 121.334 120.400 -0.062 0.000 2.249 715 K HA 0.527 4.858 4.320 0.018 0.000 0.280 715 K C -0.684 175.747 176.600 -0.282 0.000 1.033 715 K CA -0.208 56.034 56.287 -0.075 0.000 0.946 715 K CB 1.361 33.880 32.500 0.033 0.000 1.005 715 K HN 0.581 nan 8.250 nan 0.000 0.469 716 V N 0.049 119.701 119.914 -0.437 0.000 3.040 716 V HA 0.591 4.722 4.120 0.018 0.000 0.312 716 V C -1.063 174.750 176.094 -0.468 0.000 1.115 716 V CA -1.007 60.912 62.300 -0.635 0.000 0.998 716 V CB 1.866 32.841 31.823 -1.413 0.000 1.042 716 V HN 0.715 nan 8.190 nan 0.000 0.433 717 E N 2.596 122.572 120.200 -0.373 0.000 2.014 717 E HA 0.425 4.786 4.350 0.018 0.000 0.275 717 E C -0.502 175.951 176.600 -0.246 0.000 0.997 717 E CA -0.246 56.011 56.400 -0.240 0.000 0.804 717 E CB 0.919 30.544 29.700 -0.126 0.000 1.090 717 E HN 0.812 nan 8.360 nan 0.000 0.401 718 M N 3.521 122.957 119.600 -0.272 0.000 2.146 718 M HA 0.173 4.664 4.480 0.018 0.000 0.357 718 M C -0.459 175.825 176.300 -0.027 0.000 1.261 718 M CA -0.373 54.827 55.300 -0.168 0.000 1.106 718 M CB 0.637 33.114 32.600 -0.204 0.000 1.612 718 M HN 0.240 nan 8.290 nan 0.000 0.470 719 E N 6.697 126.940 120.200 0.070 0.000 2.152 719 E HA 0.291 4.652 4.350 0.018 0.000 0.285 719 E C -1.134 175.495 176.600 0.049 0.000 1.043 719 E CA 0.037 56.468 56.400 0.051 0.000 0.839 719 E CB 0.591 30.335 29.700 0.074 0.000 1.069 719 E HN 0.678 nan 8.360 nan 0.000 0.399 720 L N 5.758 126.992 121.223 0.018 0.000 2.490 720 L HA 0.285 4.636 4.340 0.018 0.000 0.256 720 L C -2.392 174.485 176.870 0.012 0.000 1.089 720 L CA -1.900 52.949 54.840 0.015 0.000 0.916 720 L CB 1.648 43.701 42.059 -0.009 0.000 1.188 720 L HN 0.123 nan 8.230 nan 0.000 0.476 721 P HA 0.031 nan 4.420 nan 0.000 0.272 721 P C 1.130 178.446 177.300 0.027 0.000 1.248 721 P CA -0.065 63.046 63.100 0.018 0.000 0.799 721 P CB 0.729 32.439 31.700 0.016 0.000 0.997 722 G N 0.785 109.600 108.800 0.026 0.000 2.499 722 G HA2 -0.231 3.740 3.960 0.018 0.000 0.221 722 G HA3 -0.231 3.740 3.960 0.018 0.000 0.221 722 G C 0.654 175.584 174.900 0.049 0.000 1.109 722 G CA 0.824 45.947 45.100 0.038 0.000 0.749 722 G HN 0.635 nan 8.290 nan 0.000 0.568 723 D N -0.910 119.521 120.400 0.051 0.000 2.342 723 D HA 0.126 4.777 4.640 0.018 0.000 0.221 723 D C 0.429 176.840 176.300 0.184 0.000 1.101 723 D CA 0.058 54.106 54.000 0.080 0.000 0.837 723 D CB 0.310 41.115 40.800 0.009 0.000 0.938 723 D HN -0.027 nan 8.370 nan 0.000 0.508 724 K N 0.566 121.051 120.400 0.142 0.000 2.375 724 K HA 0.550 4.881 4.320 0.018 0.000 0.249 724 K C -0.793 175.792 176.600 -0.024 0.000 0.942 724 K CA -0.843 55.542 56.287 0.164 0.000 0.806 724 K CB 2.955 35.515 32.500 0.100 0.000 1.227 724 K HN 0.123 nan 8.250 nan 0.000 0.430 725 I N -0.621 119.826 120.570 -0.205 0.000 2.689 725 I HA 0.469 4.650 4.170 0.018 0.000 0.299 725 I C -0.035 175.931 176.117 -0.251 0.000 1.059 725 I CA -0.639 60.466 61.300 -0.325 0.000 1.055 725 I CB 2.017 39.667 38.000 -0.582 0.000 1.243 725 I HN 0.631 nan 8.210 nan 0.000 0.425 726 G N 7.372 116.048 108.800 -0.205 0.000 2.343 726 G HA2 0.466 4.437 3.960 0.018 0.000 0.254 726 G HA3 0.466 4.437 3.960 0.018 0.000 0.254 726 G C -0.969 173.740 174.900 -0.318 0.000 1.277 726 G CA -0.254 44.756 45.100 -0.150 0.000 0.909 726 G HN 0.543 nan 8.290 nan 0.000 0.502 727 L N 2.932 123.909 121.223 -0.410 0.000 2.482 727 L HA 0.376 4.727 4.340 0.018 0.000 0.269 727 L C -1.027 175.515 176.870 -0.547 0.000 0.967 727 L CA -0.830 53.721 54.840 -0.482 0.000 0.851 727 L CB 2.148 43.900 42.059 -0.513 0.000 1.242 727 L HN 0.612 nan 8.230 nan 0.000 0.404 728 H N 2.823 121.829 119.070 -0.107 0.000 2.768 728 H HA 0.628 5.195 4.556 0.019 0.000 0.371 728 H C -0.912 174.579 175.328 0.271 0.000 1.151 728 H CA -0.510 55.601 56.048 0.106 0.000 1.165 728 H CB 2.341 32.146 29.762 0.072 0.000 1.722 728 H HN 0.356 nan 8.280 nan 0.000 0.543 729 L N 2.037 123.533 121.223 0.455 0.000 2.295 729 L HA 0.466 4.817 4.340 0.018 0.000 0.285 729 L C 0.375 177.578 176.870 0.556 0.000 1.035 729 L CA -0.741 54.299 54.840 0.334 0.000 0.806 729 L CB 1.438 43.505 42.059 0.012 0.000 1.214 729 L HN 0.423 nan 8.230 nan 0.000 0.426 730 R N 1.767 122.534 120.500 0.444 0.000 2.347 730 R HA 0.272 4.623 4.340 0.018 0.000 0.304 730 R C 0.278 176.755 176.300 0.295 0.000 1.072 730 R CA -0.296 55.764 56.100 -0.067 0.000 0.980 730 R CB 0.880 31.066 30.300 -0.190 0.000 0.986 730 R HN 0.811 nan 8.270 nan 0.000 0.448 731 G N 1.725 110.599 108.800 0.123 0.000 2.305 731 G HA2 0.332 4.303 3.960 0.018 0.000 0.243 731 G HA3 0.332 4.303 3.960 0.018 0.000 0.243 731 G C 0.802 175.843 174.900 0.235 0.000 1.288 731 G CA 0.271 45.544 45.100 0.289 0.000 0.901 731 G HN 0.957 nan 8.290 nan 0.000 0.516 732 G N 0.577 109.472 108.800 0.159 0.000 2.184 732 G HA2 -0.193 3.778 3.960 0.018 0.000 0.206 732 G HA3 -0.193 3.778 3.960 0.018 0.000 0.206 732 G C -0.042 174.589 174.900 -0.449 0.000 0.995 732 G CA 0.181 45.212 45.100 -0.115 0.000 0.651 732 G HN 0.800 nan 8.290 nan 0.000 0.511 733 Y N -0.366 119.950 120.300 0.028 0.000 2.485 733 Y HA 0.764 5.325 4.550 0.019 0.000 0.345 733 Y C 0.487 176.227 175.900 -0.267 0.000 0.998 733 Y CA -1.150 56.846 58.100 -0.174 0.000 1.059 733 Y CB 1.749 40.017 38.460 -0.320 0.000 1.234 733 Y HN 0.076 nan 8.280 nan 0.000 0.461 734 I N 3.280 123.692 120.570 -0.263 0.000 2.436 734 I HA 0.356 4.537 4.170 0.018 0.000 0.289 734 I C -1.444 174.495 176.117 -0.298 0.000 1.010 734 I CA -0.610 60.599 61.300 -0.150 0.000 1.098 734 I CB 1.325 39.328 38.000 0.005 0.000 1.266 734 I HN 0.399 nan 8.210 nan 0.000 0.434 735 F N 7.179 127.154 119.950 0.043 0.000 2.402 735 F HA 0.449 4.987 4.527 0.018 0.000 0.355 735 F C -2.191 173.672 175.800 0.106 0.000 1.123 735 F CA -2.428 55.592 58.000 0.034 0.000 1.021 735 F CB 1.393 40.334 39.000 -0.098 0.000 1.160 735 F HN 0.195 nan 8.300 nan 0.000 0.451 736 P HA 0.267 nan 4.420 nan 0.000 0.284 736 P C -0.582 176.988 177.300 0.450 0.000 1.253 736 P CA -0.232 63.110 63.100 0.403 0.000 0.800 736 P CB 1.756 33.810 31.700 0.590 0.000 0.961 737 T N -0.664 114.107 114.554 0.362 0.000 2.883 737 T HA 0.597 4.958 4.350 0.018 0.000 0.296 737 T C -1.102 173.746 174.700 0.246 0.000 1.117 737 T CA -0.768 61.528 62.100 0.326 0.000 1.006 737 T CB 2.009 71.034 68.868 0.263 0.000 1.191 737 T HN 0.496 nan 8.240 nan 0.000 0.508 738 Q N 0.598 120.541 119.800 0.238 0.000 2.284 738 Q HA 0.309 4.660 4.340 0.018 0.000 0.269 738 Q C -1.074 175.029 176.000 0.172 0.000 1.026 738 Q CA -0.605 55.297 55.803 0.164 0.000 0.831 738 Q CB 2.315 31.165 28.738 0.186 0.000 1.322 738 Q HN 0.848 nan 8.270 nan 0.000 0.419 739 Q N 4.926 124.794 119.800 0.114 0.000 2.283 739 Q HA 0.087 4.438 4.340 0.018 0.000 0.301 739 Q C -2.052 174.034 176.000 0.142 0.000 1.063 739 Q CA -0.849 55.018 55.803 0.106 0.000 0.952 739 Q CB 0.616 29.391 28.738 0.062 0.000 1.166 739 Q HN 0.376 nan 8.270 nan 0.000 0.381 740 P HA 0.173 nan 4.420 nan 0.000 0.276 740 P C -0.998 176.385 177.300 0.138 0.000 1.244 740 P CA -0.311 62.909 63.100 0.200 0.000 0.801 740 P CB 1.034 32.837 31.700 0.172 0.000 1.006 741 N N -0.988 117.812 118.700 0.168 0.000 2.774 741 N HA 0.176 4.927 4.740 0.018 0.000 0.264 741 N C 0.772 176.303 175.510 0.036 0.000 1.415 741 N CA -0.363 52.738 53.050 0.086 0.000 0.815 741 N CB 0.863 39.408 38.487 0.098 0.000 1.514 741 N HN 0.324 nan 8.380 nan 0.000 0.523 742 T N -2.972 111.578 114.554 -0.007 0.000 3.072 742 T HA 0.079 4.441 4.350 0.018 0.000 0.266 742 T C 0.736 175.462 174.700 0.043 0.000 1.127 742 T CA 1.158 63.222 62.100 -0.061 0.000 1.107 742 T CB -0.656 68.200 68.868 -0.020 0.000 0.910 742 T HN 0.617 nan 8.240 nan 0.000 0.513 743 T N -1.787 112.856 114.554 0.147 0.000 2.896 743 T HA 0.503 4.864 4.350 0.018 0.000 0.297 743 T C 1.060 175.944 174.700 0.307 0.000 1.108 743 T CA -0.098 62.139 62.100 0.228 0.000 1.004 743 T CB 1.785 70.693 68.868 0.067 0.000 1.159 743 T HN 0.097 nan 8.240 nan 0.000 0.499 744 T N -0.014 114.722 114.554 0.304 0.000 3.023 744 T HA -0.043 4.319 4.350 0.018 0.000 0.266 744 T C 1.872 176.665 174.700 0.155 0.000 1.093 744 T CA 0.683 62.944 62.100 0.268 0.000 1.129 744 T CB -0.444 68.606 68.868 0.302 0.000 0.899 744 T HN 0.411 nan 8.240 nan 0.000 0.491 745 L N 1.901 123.179 121.223 0.091 0.000 2.013 745 L HA 0.105 4.456 4.340 0.018 0.000 0.212 745 L C 2.778 179.667 176.870 0.031 0.000 1.073 745 L CA 2.053 56.906 54.840 0.020 0.000 0.753 745 L CB -1.196 40.844 42.059 -0.032 0.000 0.890 745 L HN 0.361 nan 8.230 nan 0.000 0.432 746 A N -1.298 121.556 122.820 0.056 0.000 1.898 746 A HA -0.112 4.219 4.320 0.018 0.000 0.214 746 A C 2.426 180.064 177.584 0.090 0.000 1.183 746 A CA 1.495 53.566 52.037 0.057 0.000 0.622 746 A CB -1.030 17.998 19.000 0.047 0.000 0.824 746 A HN 0.630 nan 8.150 nan 0.000 0.444 747 S N 0.188 115.979 115.700 0.151 0.000 2.399 747 S HA -0.191 4.290 4.470 0.018 0.000 0.231 747 S C 1.879 176.579 174.600 0.166 0.000 1.022 747 S CA 1.263 59.576 58.200 0.188 0.000 0.983 747 S CB -0.510 62.874 63.200 0.307 0.000 0.803 747 S HN 0.578 nan 8.310 nan 0.000 0.480 748 R N 1.274 121.854 120.500 0.133 0.000 2.241 748 R HA 0.107 4.458 4.340 0.018 0.000 0.224 748 R C 1.869 178.247 176.300 0.130 0.000 1.101 748 R CA 1.124 57.304 56.100 0.134 0.000 0.995 748 R CB -0.165 30.106 30.300 -0.048 0.000 0.870 748 R HN 0.504 nan 8.270 nan 0.000 0.463 749 K N -0.159 120.284 120.400 0.073 0.000 2.444 749 K HA 0.056 4.388 4.320 0.018 0.000 0.193 749 K C 0.125 176.731 176.600 0.009 0.000 1.024 749 K CA 0.009 56.318 56.287 0.037 0.000 1.077 749 K CB 0.195 32.710 32.500 0.024 0.000 0.833 749 K HN 0.071 nan 8.250 nan 0.000 0.517 750 N N 1.324 120.037 118.700 0.022 0.000 2.463 750 N HA 0.198 4.949 4.740 0.018 0.000 0.270 750 N C -2.678 172.803 175.510 -0.049 0.000 1.205 750 N CA -2.075 50.977 53.050 0.003 0.000 0.974 750 N CB 0.440 38.952 38.487 0.043 0.000 1.197 750 N HN -0.213 nan 8.380 nan 0.000 0.504 751 P HA 0.093 nan 4.420 nan 0.000 0.267 751 P C -0.315 176.928 177.300 -0.095 0.000 1.200 751 P CA 0.239 63.286 63.100 -0.089 0.000 0.772 751 P CB 0.568 32.239 31.700 -0.050 0.000 0.855 752 L N 1.508 122.617 121.223 -0.191 0.000 2.416 752 L HA 0.799 5.150 4.340 0.018 0.000 0.262 752 L C 1.141 178.051 176.870 0.066 0.000 1.093 752 L CA -0.269 54.475 54.840 -0.160 0.000 0.801 752 L CB 0.914 42.610 42.059 -0.606 0.000 1.191 752 L HN 0.436 nan 8.230 nan 0.000 0.459 753 G N 0.408 109.339 108.800 0.219 0.000 2.694 753 G HA2 0.731 4.702 3.960 0.018 0.000 0.290 753 G HA3 0.731 4.702 3.960 0.018 0.000 0.290 753 G C -1.691 173.328 174.900 0.200 0.000 1.386 753 G CA -0.594 44.628 45.100 0.203 0.000 0.872 753 G HN 0.351 nan 8.290 nan 0.000 0.475 754 L N 0.244 121.468 121.223 0.001 0.000 2.386 754 L HA 0.568 4.919 4.340 0.018 0.000 0.271 754 L C -0.747 176.082 176.870 -0.068 0.000 0.993 754 L CA -0.788 53.963 54.840 -0.149 0.000 0.819 754 L CB 2.422 44.209 42.059 -0.454 0.000 1.294 754 L HN 0.325 nan 8.230 nan 0.000 0.414 755 I N 4.072 124.655 120.570 0.021 0.000 2.362 755 I HA 0.395 4.576 4.170 0.018 0.000 0.289 755 I C -0.487 175.690 176.117 0.099 0.000 0.994 755 I CA -0.302 61.024 61.300 0.042 0.000 1.158 755 I CB 1.757 39.801 38.000 0.072 0.000 1.315 755 I HN 0.396 nan 8.210 nan 0.000 0.451 756 I N 6.111 126.677 120.570 -0.007 0.000 2.328 756 I HA 0.416 4.597 4.170 0.018 0.000 0.287 756 I C 0.265 176.369 176.117 -0.023 0.000 1.012 756 I CA -0.360 60.945 61.300 0.009 0.000 1.195 756 I CB 1.481 39.464 38.000 -0.028 0.000 1.350 756 I HN 0.613 nan 8.210 nan 0.000 0.464 757 A N 8.309 131.177 122.820 0.079 0.000 2.341 757 A HA 0.603 4.934 4.320 0.018 0.000 0.326 757 A C -0.219 177.443 177.584 0.130 0.000 1.402 757 A CA -0.463 51.569 52.037 -0.008 0.000 0.957 757 A CB 0.129 19.329 19.000 0.334 0.000 1.151 757 A HN 0.693 nan 8.150 nan 0.000 0.533 758 L N 2.653 123.918 121.223 0.070 0.000 2.426 758 L HA 0.205 4.556 4.340 0.018 0.000 0.271 758 L C 0.653 177.670 176.870 0.245 0.000 1.169 758 L CA -0.626 54.311 54.840 0.162 0.000 0.836 758 L CB 0.569 42.715 42.059 0.145 0.000 1.112 758 L HN 0.872 nan 8.230 nan 0.000 0.465 759 D N 1.027 121.510 120.400 0.139 0.000 2.440 759 D HA 0.032 4.683 4.640 0.018 0.000 0.269 759 D C 0.659 177.006 176.300 0.078 0.000 1.249 759 D CA -0.434 53.623 54.000 0.095 0.000 1.055 759 D CB 0.477 41.302 40.800 0.042 0.000 1.104 759 D HN 0.440 nan 8.370 nan 0.000 0.561 760 E N -1.061 119.164 120.200 0.042 0.000 2.204 760 E HA -0.085 4.276 4.350 0.018 0.000 0.195 760 E C 0.822 177.442 176.600 0.033 0.000 0.990 760 E CA 0.880 57.300 56.400 0.032 0.000 0.821 760 E CB -0.294 29.416 29.700 0.017 0.000 0.750 760 E HN 0.327 nan 8.360 nan 0.000 0.477 761 N N 0.828 119.546 118.700 0.032 0.000 2.322 761 N HA 0.006 4.757 4.740 0.018 0.000 0.194 761 N C -0.430 175.101 175.510 0.035 0.000 1.126 761 N CA 0.186 53.251 53.050 0.025 0.000 0.845 761 N CB 0.542 39.039 38.487 0.017 0.000 0.976 761 N HN -0.066 nan 8.380 nan 0.000 0.475 762 K N 0.422 120.857 120.400 0.058 0.000 3.117 762 K HA -0.173 4.158 4.320 0.018 0.000 0.269 762 K C -0.590 176.063 176.600 0.087 0.000 1.098 762 K CA 0.738 57.078 56.287 0.088 0.000 0.785 762 K CB -1.977 30.571 32.500 0.080 0.000 1.242 762 K HN 0.535 nan 8.250 nan 0.000 0.491 763 E N -0.710 119.526 120.200 0.060 0.000 2.299 763 E HA 0.820 5.181 4.350 0.018 0.000 0.265 763 E C -0.597 176.015 176.600 0.020 0.000 0.911 763 E CA -0.742 55.681 56.400 0.038 0.000 0.789 763 E CB 2.150 31.855 29.700 0.008 0.000 1.246 763 E HN 0.283 nan 8.360 nan 0.000 0.427 764 A N 1.584 124.404 122.820 -0.000 0.000 2.608 764 A HA 0.645 4.976 4.320 0.018 0.000 0.292 764 A C -1.563 175.987 177.584 -0.058 0.000 1.066 764 A CA -0.792 51.212 52.037 -0.057 0.000 0.676 764 A CB 1.587 20.588 19.000 0.001 0.000 1.277 764 A HN 0.463 nan 8.150 nan 0.000 0.413 765 K N -0.382 119.937 120.400 -0.136 0.000 2.508 765 K HA 0.760 5.091 4.320 0.018 0.000 0.260 765 K C -0.256 176.346 176.600 0.003 0.000 0.949 765 K CA -0.376 55.884 56.287 -0.045 0.000 0.834 765 K CB 2.865 35.317 32.500 -0.079 0.000 1.365 765 K HN 1.412 nan 8.250 nan 0.000 0.437 766 G N 0.490 109.384 108.800 0.156 0.000 2.600 766 G HA2 0.539 4.510 3.960 0.018 0.000 0.293 766 G HA3 0.539 4.510 3.960 0.018 0.000 0.293 766 G C -1.864 173.195 174.900 0.264 0.000 1.408 766 G CA -0.681 44.581 45.100 0.270 0.000 0.782 766 G HN 0.655 nan 8.290 nan 0.000 0.482 767 E N -1.746 118.642 120.200 0.312 0.000 2.445 767 E HA 0.701 5.062 4.350 0.018 0.000 0.279 767 E C -2.134 174.665 176.600 0.331 0.000 1.018 767 E CA -1.063 55.381 56.400 0.074 0.000 0.816 767 E CB 2.549 32.327 29.700 0.129 0.000 1.356 767 E HN 0.822 nan 8.360 nan 0.000 0.462 768 L N 1.467 122.823 121.223 0.221 0.000 2.470 768 L HA 0.569 4.920 4.340 0.018 0.000 0.268 768 L C -1.959 175.152 176.870 0.401 0.000 0.964 768 L CA -0.628 54.496 54.840 0.473 0.000 0.839 768 L CB 1.753 44.211 42.059 0.665 0.000 1.276 768 L HN 0.675 nan 8.230 nan 0.000 0.403 769 F N 5.684 125.792 119.950 0.265 0.000 2.404 769 F HA 0.666 5.204 4.527 0.018 0.000 0.339 769 F C -1.343 174.687 175.800 0.383 0.000 1.105 769 F CA -0.191 57.841 58.000 0.052 0.000 1.087 769 F CB 1.014 39.774 39.000 -0.400 0.000 1.143 769 F HN 0.627 nan 8.300 nan 0.000 0.491 770 W N 8.802 129.685 121.300 -0.695 0.000 3.326 770 W HA 0.243 4.914 4.660 0.018 0.000 0.333 770 W C -1.843 174.333 176.519 -0.571 0.000 1.108 770 W CA -0.671 56.452 57.345 -0.369 0.000 1.245 770 W CB 1.797 31.243 29.460 -0.023 0.000 1.331 770 W HN 0.752 nan 8.180 nan 0.000 0.464 771 D N 1.475 121.327 120.400 -0.915 0.000 2.846 771 D HA 0.183 4.834 4.640 0.018 0.000 0.273 771 D C 0.659 176.293 176.300 -1.111 0.000 1.145 771 D CA -0.200 53.232 54.000 -0.946 0.000 1.091 771 D CB 0.073 40.493 40.800 -0.634 0.000 1.364 771 D HN 0.228 nan 8.370 nan 0.000 0.613 772 D N -1.718 118.059 120.400 -1.038 0.000 2.363 772 D HA 0.147 4.798 4.640 0.018 0.000 0.226 772 D C 1.557 177.593 176.300 -0.440 0.000 1.020 772 D CA 0.883 54.494 54.000 -0.647 0.000 0.892 772 D CB -0.340 40.216 40.800 -0.407 0.000 0.900 772 D HN 0.865 nan 8.370 nan 0.000 0.531 773 G N 0.849 109.396 108.800 -0.422 0.000 2.179 773 G HA2 -0.365 3.606 3.960 0.018 0.000 0.260 773 G HA3 -0.365 3.606 3.960 0.018 0.000 0.260 773 G C 0.726 175.543 174.900 -0.138 0.000 0.977 773 G CA 0.756 45.655 45.100 -0.336 0.000 0.641 773 G HN 0.615 nan 8.290 nan 0.000 0.533 774 E N -2.163 117.972 120.200 -0.109 0.000 2.641 774 E HA 0.128 4.489 4.350 0.018 0.000 0.201 774 E C 0.372 176.946 176.600 -0.043 0.000 0.921 774 E CA 0.403 56.772 56.400 -0.052 0.000 1.551 774 E CB 0.044 29.748 29.700 0.006 0.000 1.640 774 E HN 0.245 nan 8.360 nan 0.000 0.906 775 T N 2.135 116.656 114.554 -0.055 0.000 2.919 775 T HA 0.171 4.533 4.350 0.018 0.000 0.302 775 T C -0.171 174.514 174.700 -0.025 0.000 1.031 775 T CA -0.048 62.034 62.100 -0.030 0.000 1.127 775 T CB 1.458 70.307 68.868 -0.032 0.000 0.952 775 T HN 0.046 nan 8.240 nan 0.000 0.540 776 K N 1.693 122.088 120.400 -0.009 0.000 2.202 776 K HA 0.084 4.415 4.320 0.018 0.000 0.264 776 K C 0.188 176.795 176.600 0.011 0.000 1.010 776 K CA -0.263 56.018 56.287 -0.010 0.000 0.940 776 K CB 0.374 32.877 32.500 0.005 0.000 0.983 776 K HN 0.655 nan 8.250 nan 0.000 0.475 777 D N 0.398 120.808 120.400 0.017 0.000 3.077 777 D HA -0.187 4.464 4.640 0.018 0.000 0.212 777 D C 0.730 177.084 176.300 0.091 0.000 1.125 777 D CA 1.151 55.186 54.000 0.059 0.000 0.970 777 D CB -1.332 39.504 40.800 0.060 0.000 1.110 777 D HN 0.634 nan 8.370 nan 0.000 0.419 778 T N -0.395 114.207 114.554 0.079 0.000 2.788 778 T HA -0.094 4.267 4.350 0.018 0.000 0.268 778 T C 2.050 176.911 174.700 0.268 0.000 1.044 778 T CA 1.607 63.783 62.100 0.127 0.000 1.139 778 T CB 0.187 69.091 68.868 0.061 0.000 0.867 778 T HN 0.208 nan 8.240 nan 0.000 0.454 779 V N 1.170 121.223 119.914 0.232 0.000 2.302 779 V HA 0.015 4.146 4.120 0.018 0.000 0.243 779 V C 2.855 179.146 176.094 0.330 0.000 1.036 779 V CA 1.438 63.922 62.300 0.306 0.000 1.020 779 V CB -1.210 30.746 31.823 0.220 0.000 0.657 779 V HN 0.481 nan 8.190 nan 0.000 0.453 780 A N 0.630 123.584 122.820 0.223 0.000 1.917 780 A HA -0.306 4.025 4.320 0.018 0.000 0.219 780 A C 1.875 179.556 177.584 0.161 0.000 1.182 780 A CA 2.624 54.763 52.037 0.169 0.000 0.633 780 A CB -0.887 18.187 19.000 0.123 0.000 0.819 780 A HN 0.716 nan 8.150 nan 0.000 0.448 781 N N -0.623 118.174 118.700 0.161 0.000 2.336 781 N HA 0.065 4.816 4.740 0.018 0.000 0.189 781 N C -0.648 174.946 175.510 0.140 0.000 1.113 781 N CA -0.042 53.084 53.050 0.127 0.000 0.858 781 N CB 0.195 38.742 38.487 0.099 0.000 0.970 781 N HN 0.158 nan 8.380 nan 0.000 0.471 782 K N 0.346 120.880 120.400 0.222 0.000 3.419 782 K HA -0.134 4.197 4.320 0.018 0.000 0.272 782 K C -1.131 175.502 176.600 0.054 0.000 0.973 782 K CA 0.322 56.698 56.287 0.149 0.000 0.749 782 K CB -1.962 30.558 32.500 0.034 0.000 1.403 782 K HN 0.037 nan 8.250 nan 0.000 0.456 783 V N 2.209 122.234 119.914 0.186 0.000 2.225 783 V HA 0.376 4.507 4.120 0.018 0.000 0.264 783 V C -0.326 175.889 176.094 0.203 0.000 1.067 783 V CA -0.572 61.812 62.300 0.140 0.000 0.903 783 V CB -0.628 31.273 31.823 0.130 0.000 1.136 783 V HN 0.408 nan 8.190 nan 0.000 0.456 784 Y N 1.899 122.231 120.300 0.053 0.000 2.725 784 Y HA 0.829 5.391 4.550 0.018 0.000 0.333 784 Y C -1.600 174.301 175.900 0.002 0.000 1.242 784 Y CA -1.857 56.199 58.100 -0.074 0.000 1.059 784 Y CB 1.688 40.001 38.460 -0.245 0.000 1.306 784 Y HN 0.193 nan 8.280 nan 0.000 0.454 785 L N 2.686 123.999 121.223 0.151 0.000 2.322 785 L HA 0.791 5.142 4.340 0.018 0.000 0.281 785 L C -1.803 175.180 176.870 0.189 0.000 1.014 785 L CA -0.871 54.051 54.840 0.138 0.000 0.815 785 L CB 1.548 43.731 42.059 0.207 0.000 1.247 785 L HN 0.756 nan 8.230 nan 0.000 0.421 786 L N 6.483 127.817 121.223 0.186 0.000 2.406 786 L HA 0.729 5.080 4.340 0.018 0.000 0.272 786 L C -0.789 176.144 176.870 0.106 0.000 0.980 786 L CA -0.182 54.785 54.840 0.212 0.000 0.831 786 L CB 1.262 43.525 42.059 0.340 0.000 1.253 786 L HN 0.952 nan 8.230 nan 0.000 0.406 787 C N 1.400 120.720 119.300 0.033 0.000 2.848 787 C HA 0.976 5.447 4.460 0.018 0.000 0.317 787 C C -0.453 174.307 174.990 -0.383 0.000 1.260 787 C CA -0.725 58.219 59.018 -0.123 0.000 1.656 787 C CB 1.595 29.280 27.740 -0.092 0.000 2.174 787 C HN 0.844 nan 8.230 nan 0.000 0.479 788 E N 0.146 120.091 120.200 -0.425 0.000 2.266 788 E HA 0.741 5.102 4.350 0.018 0.000 0.268 788 E C -1.477 174.841 176.600 -0.469 0.000 0.879 788 E CA -0.100 56.053 56.400 -0.411 0.000 0.762 788 E CB 1.520 31.148 29.700 -0.120 0.000 1.199 788 E HN 0.556 nan 8.360 nan 0.000 0.422 789 F N 0.947 120.928 119.950 0.050 0.000 2.495 789 F HA 0.658 5.196 4.527 0.018 0.000 0.327 789 F C 0.029 175.834 175.800 0.009 0.000 1.103 789 F CA -0.917 57.091 58.000 0.013 0.000 0.949 789 F CB 1.899 40.886 39.000 -0.022 0.000 1.142 789 F HN 0.326 nan 8.300 nan 0.000 0.457 790 S N 0.935 116.746 115.700 0.185 0.000 2.546 790 S HA 0.858 5.339 4.470 0.018 0.000 0.272 790 S C -1.533 173.122 174.600 0.092 0.000 1.140 790 S CA -0.808 57.453 58.200 0.101 0.000 0.920 790 S CB 1.582 64.813 63.200 0.053 0.000 1.083 790 S HN 0.377 nan 8.310 nan 0.000 0.476 791 V N 2.282 122.241 119.914 0.075 0.000 2.540 791 V HA 0.899 5.030 4.120 0.018 0.000 0.302 791 V C -0.371 175.745 176.094 0.036 0.000 1.035 791 V CA -0.195 62.154 62.300 0.082 0.000 0.873 791 V CB 1.663 33.582 31.823 0.160 0.000 0.992 791 V HN 1.248 nan 8.190 nan 0.000 0.428 792 T N 1.193 115.740 114.554 -0.012 0.000 3.295 792 T HA 0.417 4.779 4.350 0.018 0.000 0.331 792 T C -0.645 174.007 174.700 -0.080 0.000 1.142 792 T CA -0.932 61.153 62.100 -0.024 0.000 1.078 792 T CB 1.432 70.284 68.868 -0.026 0.000 1.150 792 T HN 0.816 nan 8.240 nan 0.000 0.465 793 Q N 2.866 122.630 119.800 -0.059 0.000 2.394 793 Q HA -0.039 4.312 4.340 0.018 0.000 0.347 793 Q C 0.102 175.929 176.000 -0.287 0.000 1.144 793 Q CA 1.027 56.777 55.803 -0.088 0.000 1.050 793 Q CB -0.423 28.306 28.738 -0.015 0.000 1.188 793 Q HN 0.931 nan 8.270 nan 0.000 0.406 794 N N -0.641 117.734 118.700 -0.542 0.000 2.936 794 N HA -0.246 4.505 4.740 0.018 0.000 0.236 794 N C -0.791 173.837 175.510 -1.471 0.000 0.930 794 N CA 1.469 53.819 53.050 -1.167 0.000 0.966 794 N CB -0.574 37.595 38.487 -0.529 0.000 1.090 794 N HN 0.737 nan 8.380 nan 0.000 0.592 795 R N 0.398 120.235 120.500 -1.105 0.000 2.515 795 R HA 0.507 4.859 4.340 0.018 0.000 0.278 795 R C -2.045 174.096 176.300 -0.264 0.000 1.107 795 R CA -0.758 54.968 56.100 -0.624 0.000 0.945 795 R CB 0.999 31.113 30.300 -0.309 0.000 1.219 795 R HN 0.074 nan 8.270 nan 0.000 0.434 796 L N 2.909 124.125 121.223 -0.013 0.000 2.307 796 L HA 0.528 4.879 4.340 0.018 0.000 0.284 796 L C -1.023 175.913 176.870 0.110 0.000 1.023 796 L CA 0.130 55.053 54.840 0.140 0.000 0.810 796 L CB 1.737 43.945 42.059 0.249 0.000 1.231 796 L HN 0.646 nan 8.230 nan 0.000 0.423 797 E N 3.762 124.029 120.200 0.112 0.000 2.183 797 E HA 0.564 4.925 4.350 0.018 0.000 0.271 797 E C -1.317 175.390 176.600 0.179 0.000 0.919 797 E CA -0.874 55.599 56.400 0.122 0.000 0.781 797 E CB 2.370 32.115 29.700 0.075 0.000 1.140 797 E HN 0.456 nan 8.360 nan 0.000 0.402 798 V N 3.498 123.537 119.914 0.209 0.000 2.357 798 V HA 0.305 4.436 4.120 0.018 0.000 0.284 798 V C -0.247 175.929 176.094 0.136 0.000 1.018 798 V CA -0.742 61.705 62.300 0.244 0.000 0.841 798 V CB 0.990 33.032 31.823 0.365 0.000 0.991 798 V HN 0.649 nan 8.190 nan 0.000 0.437 799 N N 4.344 123.073 118.700 0.048 0.000 2.314 799 N HA 0.560 5.311 4.740 0.018 0.000 0.304 799 N C -1.393 174.117 175.510 -0.001 0.000 1.073 799 N CA -0.770 52.293 53.050 0.022 0.000 0.822 799 N CB 2.330 40.821 38.487 0.007 0.000 1.280 799 N HN 0.384 nan 8.380 nan 0.000 0.489 800 I N 2.133 122.713 120.570 0.017 0.000 2.330 800 I HA 0.083 4.264 4.170 0.018 0.000 0.289 800 I C 1.553 177.681 176.117 0.018 0.000 1.001 800 I CA -0.086 61.227 61.300 0.022 0.000 1.193 800 I CB 0.895 38.914 38.000 0.032 0.000 1.345 800 I HN 0.601 nan 8.210 nan 0.000 0.461 801 S N 4.893 120.610 115.700 0.027 0.000 2.483 801 S HA 0.103 4.585 4.470 0.018 0.000 0.221 801 S C 0.606 175.221 174.600 0.026 0.000 1.030 801 S CA 0.091 58.313 58.200 0.037 0.000 0.925 801 S CB 0.377 63.614 63.200 0.063 0.000 0.795 801 S HN 0.627 nan 8.310 nan 0.000 0.511 802 Q N 0.479 120.286 119.800 0.012 0.000 2.331 802 Q HA 0.648 5.000 4.340 0.018 0.000 0.272 802 Q C -1.121 174.834 176.000 -0.075 0.000 1.062 802 Q CA -0.258 55.494 55.803 -0.085 0.000 0.806 802 Q CB 2.189 30.783 28.738 -0.241 0.000 1.312 802 Q HN 0.089 nan 8.270 nan 0.000 0.431 803 S N 2.193 117.842 115.700 -0.085 0.000 2.694 803 S HA 0.218 4.699 4.470 0.018 0.000 0.232 803 S C -0.344 174.233 174.600 -0.037 0.000 1.017 803 S CA 0.303 58.483 58.200 -0.034 0.000 1.139 803 S CB -0.083 63.108 63.200 -0.016 0.000 1.247 803 S HN 0.723 nan 8.310 nan 0.000 0.452 804 T N -1.032 113.488 114.554 -0.056 0.000 3.174 804 T HA 0.351 4.712 4.350 0.018 0.000 0.269 804 T C -0.439 174.317 174.700 0.093 0.000 1.017 804 T CA -0.339 61.752 62.100 -0.015 0.000 0.899 804 T CB -0.196 68.638 68.868 -0.057 0.000 1.077 804 T HN 0.410 nan 8.240 nan 0.000 0.552 805 Y N 1.168 121.453 120.300 -0.025 0.000 2.396 805 Y HA 0.619 5.180 4.550 0.018 0.000 0.332 805 Y C -1.230 174.692 175.900 0.038 0.000 1.034 805 Y CA -1.677 56.430 58.100 0.011 0.000 1.057 805 Y CB 1.841 40.312 38.460 0.019 0.000 1.220 805 Y HN 0.051 nan 8.280 nan 0.000 0.440 806 K N 5.525 125.509 120.400 -0.695 0.000 2.483 806 K HA 0.230 4.561 4.320 0.018 0.000 0.256 806 K C -1.086 175.070 176.600 -0.739 0.000 0.961 806 K CA -0.581 55.404 56.287 -0.502 0.000 0.873 806 K CB 0.764 33.119 32.500 -0.242 0.000 1.107 806 K HN 0.726 nan 8.250 nan 0.000 0.432 807 D N 5.385 125.501 120.400 -0.473 0.000 2.458 807 D HA -0.004 4.647 4.640 0.018 0.000 0.243 807 D C -1.310 174.922 176.300 -0.114 0.000 1.146 807 D CA -1.101 52.806 54.000 -0.155 0.000 0.877 807 D CB 1.324 42.261 40.800 0.229 0.000 1.176 807 D HN 0.445 nan 8.370 nan 0.000 0.461 808 P HA -0.017 nan 4.420 nan 0.000 0.242 808 P C 0.007 177.291 177.300 -0.027 0.000 1.197 808 P CA 0.465 63.534 63.100 -0.050 0.000 0.765 808 P CB 0.133 31.818 31.700 -0.025 0.000 0.936 809 N N 0.650 119.344 118.700 -0.009 0.000 2.313 809 N HA 0.004 4.755 4.740 0.018 0.000 0.207 809 N C 0.085 175.572 175.510 -0.040 0.000 1.141 809 N CA -0.176 52.867 53.050 -0.012 0.000 0.830 809 N CB -0.577 37.918 38.487 0.014 0.000 1.008 809 N HN -0.094 nan 8.380 nan 0.000 0.481 810 N N 0.843 119.510 118.700 -0.055 0.000 2.758 810 N HA -0.174 4.577 4.740 0.018 0.000 0.248 810 N C -1.131 174.319 175.510 -0.099 0.000 1.076 810 N CA 0.384 53.395 53.050 -0.066 0.000 0.696 810 N CB -1.326 37.132 38.487 -0.049 0.000 0.979 810 N HN 0.272 nan 8.380 nan 0.000 0.550 811 L N -0.227 120.911 121.223 -0.141 0.000 2.397 811 L HA 0.641 4.992 4.340 0.018 0.000 0.271 811 L C 0.959 177.669 176.870 -0.268 0.000 1.148 811 L CA 0.196 54.897 54.840 -0.232 0.000 0.825 811 L CB 1.096 42.944 42.059 -0.352 0.000 1.117 811 L HN 0.392 nan 8.230 nan 0.000 0.456 812 A N 2.381 125.017 122.820 -0.307 0.000 2.594 812 A HA 0.682 5.013 4.320 0.018 0.000 0.295 812 A C -1.234 176.126 177.584 -0.373 0.000 1.071 812 A CA -0.611 51.249 52.037 -0.295 0.000 0.685 812 A CB 0.897 19.814 19.000 -0.138 0.000 1.285 812 A HN 0.411 nan 8.150 nan 0.000 0.405 813 F N 2.459 122.342 119.950 -0.112 0.000 2.471 813 F HA 0.219 4.757 4.527 0.019 0.000 0.365 813 F C 1.581 177.305 175.800 -0.126 0.000 1.095 813 F CA 0.110 58.039 58.000 -0.118 0.000 1.174 813 F CB 0.739 39.661 39.000 -0.130 0.000 1.105 813 F HN 0.681 nan 8.300 nan 0.000 0.535 814 N N 1.667 120.389 118.700 0.037 0.000 2.184 814 N HA 0.044 4.795 4.740 0.018 0.000 0.206 814 N C -0.430 175.074 175.510 -0.010 0.000 1.151 814 N CA -0.006 53.038 53.050 -0.009 0.000 0.878 814 N CB 0.491 38.959 38.487 -0.032 0.000 1.014 814 N HN 0.742 nan 8.380 nan 0.000 0.512 815 E N 0.288 120.494 120.200 0.011 0.000 2.347 815 E HA 0.444 4.805 4.350 0.018 0.000 0.285 815 E C -1.719 174.858 176.600 -0.038 0.000 0.925 815 E CA -0.598 55.788 56.400 -0.022 0.000 0.779 815 E CB 1.681 31.370 29.700 -0.019 0.000 1.233 815 E HN 0.116 nan 8.360 nan 0.000 0.414 816 I N 3.957 124.476 120.570 -0.086 0.000 2.447 816 I HA 0.353 4.534 4.170 0.018 0.000 0.287 816 I C -0.635 175.399 176.117 -0.138 0.000 1.023 816 I CA -0.770 60.453 61.300 -0.128 0.000 1.083 816 I CB 1.906 39.810 38.000 -0.161 0.000 1.245 816 I HN 0.335 nan 8.210 nan 0.000 0.434 817 K N 7.721 128.042 120.400 -0.132 0.000 2.274 817 K HA 0.660 4.992 4.320 0.018 0.000 0.262 817 K C -1.344 175.160 176.600 -0.162 0.000 0.961 817 K CA -0.466 55.735 56.287 -0.144 0.000 0.833 817 K CB 1.289 33.705 32.500 -0.139 0.000 1.102 817 K HN 0.567 nan 8.250 nan 0.000 0.436 818 I N 6.217 126.679 120.570 -0.181 0.000 2.362 818 I HA 0.278 4.459 4.170 0.018 0.000 0.289 818 I C -0.530 175.477 176.117 -0.184 0.000 0.994 818 I CA -0.889 60.302 61.300 -0.182 0.000 1.158 818 I CB 1.376 39.236 38.000 -0.233 0.000 1.315 818 I HN 0.426 nan 8.210 nan 0.000 0.451 819 L N 5.516 126.568 121.223 -0.285 0.000 2.309 819 L HA 0.602 4.953 4.340 0.018 0.000 0.282 819 L C 0.969 177.635 176.870 -0.340 0.000 1.036 819 L CA -0.539 54.019 54.840 -0.471 0.000 0.806 819 L CB 1.495 42.916 42.059 -1.064 0.000 1.220 819 L HN 0.942 nan 8.230 nan 0.000 0.429 820 G N 1.168 109.947 108.800 -0.034 0.000 2.171 820 G HA2 -0.230 3.741 3.960 0.018 0.000 0.238 820 G HA3 -0.230 3.741 3.960 0.018 0.000 0.238 820 G C 0.031 175.027 174.900 0.160 0.000 1.039 820 G CA 0.316 45.557 45.100 0.236 0.000 0.759 820 G HN 0.670 nan 8.290 nan 0.000 0.501 821 T N -0.315 114.327 114.554 0.147 0.000 2.885 821 T HA 0.572 4.934 4.350 0.018 0.000 0.285 821 T C 0.158 175.004 174.700 0.243 0.000 1.019 821 T CA -0.545 61.662 62.100 0.179 0.000 1.010 821 T CB 1.285 70.241 68.868 0.146 0.000 1.022 821 T HN 0.165 nan 8.240 nan 0.000 0.466 822 E N 1.944 122.244 120.200 0.166 0.000 2.371 822 E HA 0.131 4.492 4.350 0.018 0.000 0.257 822 E C 0.083 176.639 176.600 -0.074 0.000 1.134 822 E CA -0.316 56.160 56.400 0.126 0.000 0.919 822 E CB 0.511 30.231 29.700 0.033 0.000 1.025 822 E HN 0.705 nan 8.360 nan 0.000 0.438 823 E N 2.321 122.178 120.200 -0.572 0.000 2.606 823 E HA -0.013 4.348 4.350 0.018 0.000 0.248 823 E C -2.128 174.199 176.600 -0.456 0.000 1.005 823 E CA -1.138 54.602 56.400 -1.099 0.000 0.946 823 E CB 0.290 29.444 29.700 -0.911 0.000 0.928 823 E HN 0.008 nan 8.360 nan 0.000 0.494 824 P HA 0.051 nan 4.420 nan 0.000 0.275 824 P C -1.235 175.905 177.300 -0.267 0.000 1.227 824 P CA -0.267 62.553 63.100 -0.467 0.000 0.781 824 P CB 1.404 32.687 31.700 -0.696 0.000 0.906 825 S N 0.975 116.588 115.700 -0.146 0.000 2.671 825 S HA 0.496 4.977 4.470 0.018 0.000 0.299 825 S C -0.400 174.193 174.600 -0.011 0.000 1.116 825 S CA -0.817 57.339 58.200 -0.075 0.000 0.912 825 S CB 0.554 63.720 63.200 -0.055 0.000 1.130 825 S HN 0.381 nan 8.310 nan 0.000 0.501 826 N N -0.364 118.332 118.700 -0.007 0.000 2.705 826 N HA -0.115 4.636 4.740 0.018 0.000 0.255 826 N C -0.563 174.976 175.510 0.047 0.000 1.008 826 N CA 0.567 53.626 53.050 0.015 0.000 0.742 826 N CB -1.906 36.590 38.487 0.015 0.000 0.906 826 N HN 0.613 nan 8.380 nan 0.000 0.541 827 V N 0.342 120.282 119.914 0.044 0.000 2.521 827 V HA 0.309 4.441 4.120 0.018 0.000 0.286 827 V C 1.209 177.343 176.094 0.067 0.000 1.034 827 V CA 0.312 62.663 62.300 0.085 0.000 1.045 827 V CB 1.079 32.917 31.823 0.025 0.000 0.974 827 V HN 0.566 nan 8.190 nan 0.000 0.480 828 T N 2.205 116.814 114.554 0.092 0.000 2.900 828 T HA 0.775 5.136 4.350 0.018 0.000 0.295 828 T C -0.976 173.776 174.700 0.087 0.000 1.044 828 T CA -0.756 61.385 62.100 0.069 0.000 0.995 828 T CB 1.912 70.813 68.868 0.054 0.000 1.072 828 T HN 0.275 nan 8.240 nan 0.000 0.473 829 V N 2.677 122.640 119.914 0.082 0.000 2.531 829 V HA 0.567 4.698 4.120 0.018 0.000 0.301 829 V C -0.332 175.855 176.094 0.155 0.000 1.034 829 V CA -0.846 61.519 62.300 0.109 0.000 0.865 829 V CB 1.741 33.599 31.823 0.058 0.000 0.995 829 V HN 0.910 nan 8.190 nan 0.000 0.424 830 K N 2.927 123.450 120.400 0.204 0.000 2.259 830 K HA 0.554 4.885 4.320 0.018 0.000 0.252 830 K C -0.975 175.817 176.600 0.321 0.000 0.936 830 K CA -0.776 55.636 56.287 0.207 0.000 0.810 830 K CB 2.533 35.106 32.500 0.122 0.000 1.143 830 K HN 0.839 nan 8.250 nan 0.000 0.427 831 H N 3.270 122.408 119.070 0.112 0.000 2.539 831 H HA 0.140 4.707 4.556 0.019 0.000 0.332 831 H C -0.438 174.845 175.328 -0.074 0.000 1.031 831 H CA -0.474 55.542 56.048 -0.053 0.000 1.206 831 H CB 0.645 30.385 29.762 -0.037 0.000 1.446 831 H HN 0.679 nan 8.280 nan 0.000 0.496 832 N N 3.850 122.452 118.700 -0.163 0.000 2.701 832 N HA -0.232 4.519 4.740 0.018 0.000 0.250 832 N C 1.035 176.485 175.510 -0.099 0.000 1.046 832 N CA 1.365 54.303 53.050 -0.186 0.000 0.733 832 N CB -1.245 37.038 38.487 -0.339 0.000 0.973 832 N HN 1.068 nan 8.380 nan 0.000 0.541 833 G N -2.865 105.919 108.800 -0.026 0.000 2.194 833 G HA2 -0.298 3.674 3.960 0.018 0.000 0.236 833 G HA3 -0.298 3.674 3.960 0.018 0.000 0.236 833 G C -0.066 174.840 174.900 0.009 0.000 0.987 833 G CA 0.215 45.312 45.100 -0.006 0.000 0.635 833 G HN 0.471 nan 8.290 nan 0.000 0.520 834 V N 1.708 121.631 119.914 0.015 0.000 2.459 834 V HA 0.567 4.698 4.120 0.018 0.000 0.295 834 V C -1.847 174.295 176.094 0.080 0.000 1.029 834 V CA -2.010 60.309 62.300 0.031 0.000 0.874 834 V CB 1.783 33.609 31.823 0.006 0.000 0.985 834 V HN 0.082 nan 8.190 nan 0.000 0.438 835 P HA 0.115 nan 4.420 nan 0.000 0.268 835 P C 0.430 177.784 177.300 0.091 0.000 1.208 835 P CA 0.797 63.947 63.100 0.083 0.000 0.777 835 P CB 0.462 32.195 31.700 0.055 0.000 0.875 839 S N 6.091 121.796 115.700 0.007 0.000 2.571 839 S HA 0.291 4.773 4.470 0.018 0.000 0.297 839 S C -1.657 172.938 174.600 -0.008 0.000 1.234 839 S CA -0.603 57.599 58.200 0.002 0.000 1.120 839 S CB 0.103 63.303 63.200 0.001 0.000 0.923 839 S HN 0.607 nan 8.310 nan 0.000 0.504 840 P HA 0.157 nan 4.420 nan 0.000 0.272 840 P C -0.442 176.840 177.300 -0.031 0.000 1.230 840 P CA -0.336 62.748 63.100 -0.028 0.000 0.788 840 P CB 0.292 31.970 31.700 -0.037 0.000 0.949 841 T N 0.846 115.379 114.554 -0.036 0.000 2.817 841 T HA 0.333 4.694 4.350 0.018 0.000 0.293 841 T C -0.067 174.604 174.700 -0.049 0.000 0.964 841 T CA -0.207 61.871 62.100 -0.036 0.000 1.085 841 T CB 0.360 69.210 68.868 -0.031 0.000 0.921 841 T HN 0.079 nan 8.240 nan 0.000 0.502 842 V N 4.021 123.906 119.914 -0.048 0.000 2.487 842 V HA 0.451 4.582 4.120 0.018 0.000 0.298 842 V C 0.168 176.245 176.094 -0.027 0.000 1.028 842 V CA -0.793 61.471 62.300 -0.060 0.000 0.860 842 V CB 2.048 33.817 31.823 -0.090 0.000 0.991 842 V HN 0.952 nan 8.190 nan 0.000 0.427 843 T N 4.725 119.268 114.554 -0.017 0.000 2.823 843 T HA 0.606 4.967 4.350 0.018 0.000 0.279 843 T C -1.286 173.458 174.700 0.073 0.000 0.998 843 T CA -0.324 61.783 62.100 0.011 0.000 0.994 843 T CB 1.211 70.067 68.868 -0.020 0.000 0.960 843 T HN 0.538 nan 8.240 nan 0.000 0.448 844 Y N 2.029 122.287 120.300 -0.071 0.000 2.442 844 Y HA 0.463 5.024 4.550 0.018 0.000 0.344 844 Y C -1.202 174.666 175.900 -0.052 0.000 0.976 844 Y CA -1.470 56.589 58.100 -0.069 0.000 1.040 844 Y CB 1.679 40.102 38.460 -0.063 0.000 1.228 844 Y HN 0.518 nan 8.280 nan 0.000 0.451 845 D N 2.975 122.921 120.400 -0.758 0.000 2.460 845 D HA 0.158 4.809 4.640 0.018 0.000 0.232 845 D C 0.410 176.163 176.300 -0.912 0.000 1.079 845 D CA 0.068 53.719 54.000 -0.581 0.000 0.864 845 D CB 1.367 41.955 40.800 -0.353 0.000 1.048 845 D HN 0.662 nan 8.370 nan 0.000 0.523 846 S N 2.722 118.050 115.700 -0.621 0.000 2.453 846 S HA -0.127 4.354 4.470 0.018 0.000 0.231 846 S C 1.513 176.006 174.600 -0.179 0.000 1.005 846 S CA 0.307 58.290 58.200 -0.363 0.000 0.949 846 S CB -0.094 63.127 63.200 0.035 0.000 0.774 846 S HN 0.596 nan 8.310 nan 0.000 0.510 847 N N 0.688 119.288 118.700 -0.166 0.000 2.171 847 N HA -0.031 4.720 4.740 0.018 0.000 0.184 847 N C 1.119 176.567 175.510 -0.103 0.000 1.021 847 N CA 0.999 53.988 53.050 -0.101 0.000 0.854 847 N CB -0.073 38.362 38.487 -0.086 0.000 0.994 847 N HN 0.289 nan 8.380 nan 0.000 0.426 848 L N 1.347 122.479 121.223 -0.151 0.000 2.529 848 L HA 0.166 4.517 4.340 0.018 0.000 0.223 848 L C 0.353 177.168 176.870 -0.093 0.000 1.113 848 L CA 0.708 55.480 54.840 -0.112 0.000 0.861 848 L CB -0.289 41.695 42.059 -0.125 0.000 1.012 848 L HN 0.054 nan 8.230 nan 0.000 0.461 849 K N -0.330 119.972 120.400 -0.164 0.000 3.162 849 K HA -0.131 4.200 4.320 0.018 0.000 0.268 849 K C -0.638 175.945 176.600 -0.028 0.000 1.062 849 K CA 0.244 56.506 56.287 -0.041 0.000 0.769 849 K CB -2.585 29.973 32.500 0.097 0.000 1.274 849 K HN 0.089 nan 8.250 nan 0.000 0.478 850 V N 0.111 119.904 119.914 -0.201 0.000 2.487 850 V HA 0.716 4.847 4.120 0.018 0.000 0.298 850 V C 0.280 176.334 176.094 -0.067 0.000 1.028 850 V CA -0.654 61.570 62.300 -0.126 0.000 0.860 850 V CB 2.006 33.733 31.823 -0.160 0.000 0.991 850 V HN 0.420 nan 8.190 nan 0.000 0.427 851 A N 6.102 128.942 122.820 0.033 0.000 2.330 851 A HA 0.926 5.257 4.320 0.018 0.000 0.327 851 A C -0.817 176.719 177.584 -0.081 0.000 1.155 851 A CA -0.544 51.529 52.037 0.059 0.000 0.803 851 A CB 0.859 19.852 19.000 -0.012 0.000 1.208 851 A HN 0.770 nan 8.150 nan 0.000 0.477 852 I N 2.894 123.419 120.570 -0.075 0.000 2.436 852 I HA 0.350 4.531 4.170 0.018 0.000 0.289 852 I C -0.784 175.272 176.117 -0.102 0.000 1.010 852 I CA -0.276 60.964 61.300 -0.100 0.000 1.098 852 I CB 1.763 39.712 38.000 -0.084 0.000 1.266 852 I HN 0.495 nan 8.210 nan 0.000 0.434 853 I N 6.036 126.531 120.570 -0.126 0.000 2.321 853 I HA 0.389 4.570 4.170 0.018 0.000 0.291 853 I C 0.437 176.503 176.117 -0.085 0.000 0.998 853 I CA -0.077 61.153 61.300 -0.117 0.000 1.227 853 I CB 1.517 39.427 38.000 -0.150 0.000 1.368 853 I HN 0.658 nan 8.210 nan 0.000 0.466 854 T N 0.030 114.544 114.554 -0.066 0.000 2.693 854 T HA 0.375 4.736 4.350 0.018 0.000 0.278 854 T C -0.075 174.597 174.700 -0.046 0.000 0.994 854 T CA -0.648 61.421 62.100 -0.051 0.000 1.033 854 T CB 1.461 70.303 68.868 -0.043 0.000 1.342 854 T HN 0.565 nan 8.240 nan 0.000 0.538 855 D N 0.106 120.483 120.400 -0.038 0.000 2.689 855 D HA -0.152 4.499 4.640 0.018 0.000 0.237 855 D C -0.112 176.164 176.300 -0.040 0.000 1.148 855 D CA 1.122 55.102 54.000 -0.034 0.000 0.656 855 D CB -1.743 39.041 40.800 -0.028 0.000 1.050 855 D HN 0.819 nan 8.370 nan 0.000 0.426 856 I N -3.316 117.224 120.570 -0.050 0.000 2.892 856 I HA 0.752 4.933 4.170 0.018 0.000 0.306 856 I C -0.579 175.493 176.117 -0.075 0.000 1.078 856 I CA -1.059 60.200 61.300 -0.068 0.000 1.032 856 I CB 2.422 40.370 38.000 -0.087 0.000 1.229 856 I HN -0.169 nan 8.210 nan 0.000 0.435 857 D N 4.079 124.414 120.400 -0.108 0.000 2.472 857 D HA 0.385 5.036 4.640 0.018 0.000 0.248 857 D C -1.419 174.767 176.300 -0.190 0.000 1.271 857 D CA -0.191 53.748 54.000 -0.103 0.000 0.888 857 D CB 0.816 41.579 40.800 -0.062 0.000 1.337 857 D HN 0.581 nan 8.370 nan 0.000 0.526 858 L N 3.544 124.629 121.223 -0.231 0.000 2.259 858 L HA 0.418 4.769 4.340 0.018 0.000 0.288 858 L C 0.329 177.198 176.870 -0.001 0.000 1.051 858 L CA -0.798 53.746 54.840 -0.494 0.000 0.824 858 L CB 0.807 42.545 42.059 -0.535 0.000 1.206 858 L HN 0.202 nan 8.230 nan 0.000 0.429 859 L N 3.675 124.990 121.223 0.154 0.000 2.490 859 L HA 0.053 4.404 4.340 0.018 0.000 0.274 859 L C 0.333 177.300 176.870 0.162 0.000 1.201 859 L CA -0.462 54.442 54.840 0.107 0.000 0.869 859 L CB 0.499 42.608 42.059 0.085 0.000 1.123 859 L HN 0.424 nan 8.230 nan 0.000 0.484 860 L N 3.830 125.030 121.223 -0.039 0.000 2.559 860 L HA 0.222 4.573 4.340 0.018 0.000 0.274 860 L C 1.031 177.931 176.870 0.049 0.000 1.205 860 L CA 1.516 56.330 54.840 -0.044 0.000 0.907 860 L CB 0.315 42.191 42.059 -0.305 0.000 1.153 860 L HN 0.835 nan 8.230 nan 0.000 0.490 861 G N 2.454 111.337 108.800 0.139 0.000 2.157 861 G HA2 -0.184 3.788 3.960 0.018 0.000 0.239 861 G HA3 -0.184 3.788 3.960 0.018 0.000 0.239 861 G C 0.146 175.095 174.900 0.082 0.000 0.982 861 G CA 0.045 45.204 45.100 0.099 0.000 0.650 861 G HN 0.569 nan 8.290 nan 0.000 0.527 862 E N 0.135 120.398 120.200 0.105 0.000 2.195 862 E HA 0.706 5.067 4.350 0.018 0.000 0.271 862 E C 0.443 176.982 176.600 -0.101 0.000 0.923 862 E CA 0.091 56.464 56.400 -0.044 0.000 0.790 862 E CB 1.694 31.220 29.700 -0.291 0.000 1.155 862 E HN 0.728 nan 8.360 nan 0.000 0.402 863 A N 2.894 125.635 122.820 -0.133 0.000 2.354 863 A HA 0.544 4.875 4.320 0.018 0.000 0.269 863 A C -1.084 176.336 177.584 -0.274 0.000 1.109 863 A CA 0.015 52.008 52.037 -0.072 0.000 0.800 863 A CB 0.131 19.122 19.000 -0.014 0.000 1.045 863 A HN 0.531 nan 8.150 nan 0.000 0.489 864 Y N -0.564 119.824 120.300 0.147 0.000 2.571 864 Y HA 0.520 5.081 4.550 0.018 0.000 0.341 864 Y C 0.254 176.213 175.900 0.099 0.000 1.076 864 Y CA -0.491 57.688 58.100 0.131 0.000 1.029 864 Y CB 2.485 41.004 38.460 0.097 0.000 1.308 864 Y HN 0.580 nan 8.280 nan 0.000 0.461 865 T N 2.232 116.946 114.554 0.267 0.000 2.807 865 T HA 0.639 5.000 4.350 0.018 0.000 0.279 865 T C -1.182 173.619 174.700 0.168 0.000 0.993 865 T CA -0.664 61.536 62.100 0.167 0.000 0.970 865 T CB 1.248 70.173 68.868 0.094 0.000 0.950 865 T HN 0.308 nan 8.240 nan 0.000 0.441 866 V N 3.672 123.678 119.914 0.152 0.000 2.444 866 V HA 0.487 4.618 4.120 0.018 0.000 0.294 866 V C -0.215 175.991 176.094 0.186 0.000 1.022 866 V CA -0.767 61.643 62.300 0.183 0.000 0.850 866 V CB 1.646 33.591 31.823 0.204 0.000 0.992 866 V HN 0.861 nan 8.190 nan 0.000 0.426 867 E N 3.783 124.073 120.200 0.150 0.000 2.312 867 E HA 0.697 5.059 4.350 0.018 0.000 0.267 867 E C -1.418 175.288 176.600 0.177 0.000 0.894 867 E CA -0.707 55.677 56.400 -0.025 0.000 0.773 867 E CB 2.787 32.441 29.700 -0.077 0.000 1.241 867 E HN 0.715 nan 8.360 nan 0.000 0.432 868 W N 0.571 121.823 121.300 -0.080 0.000 3.018 868 W HA 0.822 5.494 4.660 0.019 0.000 0.352 868 W C -1.444 174.975 176.519 -0.167 0.000 1.230 868 W CA -0.955 56.305 57.345 -0.141 0.000 1.162 868 W CB 0.461 29.794 29.460 -0.211 0.000 1.483 868 W HN 0.550 nan 8.180 nan 0.000 0.584 869 A N 0.565 123.413 122.820 0.046 0.000 2.344 869 A HA 0.851 5.182 4.320 0.018 0.000 0.307 869 A C -1.038 176.477 177.584 -0.115 0.000 1.151 869 A CA -0.652 51.365 52.037 -0.034 0.000 0.842 869 A CB 1.138 20.137 19.000 -0.002 0.000 1.350 869 A HN 0.812 nan 8.150 nan 0.000 0.459 870 H N 0.000 119.122 119.070 0.087 0.000 2.539 870 H HA 0.000 4.567 4.556 0.018 0.000 0.296 870 H CA 0.000 56.081 56.048 0.056 0.000 1.023 870 H CB 0.000 29.801 29.762 0.065 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496