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 3l4u_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 QTSPTVTYDS 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 0.000 176.051 176.094 -0.072 0.000 1.182 7 V CA 0.000 62.301 62.300 0.002 0.000 1.235 7 V CB 0.000 31.840 31.823 0.029 0.000 1.184 8 N N 3.010 121.686 118.700 -0.041 0.000 2.030 8 N HA -0.148 4.613 4.740 0.034 0.000 0.292 8 N C 1.176 176.649 175.510 -0.062 0.000 1.315 8 N CA 1.350 54.376 53.050 -0.040 0.000 0.810 8 N CB 0.595 39.067 38.487 -0.025 0.000 1.048 8 N HN 0.812 nan 8.380 nan 0.000 0.492 9 E N 3.966 124.137 120.200 -0.049 0.000 2.204 9 E HA -0.187 4.184 4.350 0.034 0.000 0.195 9 E C 1.249 177.916 176.600 0.112 0.000 0.990 9 E CA 0.903 57.276 56.400 -0.045 0.000 0.821 9 E CB -0.272 29.409 29.700 -0.032 0.000 0.750 9 E HN 0.696 nan 8.360 nan 0.000 0.477 10 L N 0.607 121.898 121.223 0.113 0.000 2.456 10 L HA -0.042 4.318 4.340 0.034 0.000 0.224 10 L C 1.738 178.611 176.870 0.004 0.000 1.148 10 L CA 0.979 55.887 54.840 0.113 0.000 0.825 10 L CB -0.255 41.795 42.059 -0.015 0.000 0.937 10 L HN 0.159 nan 8.230 nan 0.000 0.450 11 E N -0.250 119.955 120.200 0.008 0.000 2.481 11 E HA 0.100 4.470 4.350 0.034 0.000 0.198 11 E C 0.191 176.801 176.600 0.017 0.000 1.027 11 E CA -0.257 56.131 56.400 -0.019 0.000 0.900 11 E CB 0.488 30.170 29.700 -0.031 0.000 0.993 11 E HN 0.384 nan 8.360 nan 0.000 0.482 12 R N 1.477 121.990 120.500 0.022 0.000 2.489 12 R HA 0.141 4.501 4.340 0.034 0.000 0.287 12 R C -0.113 176.294 176.300 0.178 0.000 1.053 12 R CA 0.123 56.202 56.100 -0.035 0.000 1.036 12 R CB 0.743 30.845 30.300 -0.331 0.000 0.966 12 R HN -0.024 nan 8.270 nan 0.000 0.432 13 I N 3.198 123.915 120.570 0.244 0.000 2.315 13 I HA 0.045 4.235 4.170 0.034 0.000 0.291 13 I C 0.306 176.612 176.117 0.315 0.000 1.006 13 I CA -0.958 60.523 61.300 0.301 0.000 1.265 13 I CB 0.859 39.056 38.000 0.328 0.000 1.387 13 I HN 0.517 nan 8.210 nan 0.000 0.475 14 N N 4.813 123.659 118.700 0.242 0.000 2.440 14 N HA -0.069 4.691 4.740 0.034 0.000 0.265 14 N C 0.755 176.260 175.510 -0.007 0.000 1.239 14 N CA 0.282 53.404 53.050 0.121 0.000 0.909 14 N CB 0.605 39.161 38.487 0.114 0.000 1.066 14 N HN 0.735 nan 8.380 nan 0.000 0.474 15 c N 4.569 122.998 118.600 -0.286 0.000 2.696 15 c HA 0.400 4.991 4.570 0.034 0.000 0.264 15 c C 0.626 174.579 174.090 -0.228 0.000 1.288 15 c CA -0.290 55.625 56.329 -0.690 0.000 1.717 15 c CB -1.121 40.844 42.510 -0.907 0.000 1.893 15 c HN 0.716 nan 8.230 nan 0.000 0.577 16 I N 2.431 122.967 120.570 -0.056 0.000 2.833 16 I HA 0.255 4.445 4.170 0.034 0.000 0.286 16 I C -1.770 174.404 176.117 0.095 0.000 1.287 16 I CA -1.028 60.292 61.300 0.034 0.000 1.046 16 I CB 1.039 39.066 38.000 0.044 0.000 1.612 16 I HN 0.095 nan 8.210 nan 0.000 0.585 17 P HA -0.013 nan 4.420 nan 0.000 0.249 17 P C 0.370 177.837 177.300 0.279 0.000 1.229 17 P CA 0.815 64.037 63.100 0.202 0.000 0.788 17 P CB 0.212 32.050 31.700 0.229 0.000 1.072 18 D N -0.903 119.679 120.400 0.304 0.000 2.398 18 D HA 0.028 4.689 4.640 0.034 0.000 0.210 18 D C 0.672 177.051 176.300 0.132 0.000 1.094 18 D CA 0.190 54.373 54.000 0.305 0.000 0.839 18 D CB 0.306 41.400 40.800 0.490 0.000 0.963 18 D HN 0.349 nan 8.370 nan 0.000 0.506 19 Q N -0.637 119.213 119.800 0.084 0.000 2.776 19 Q HA 0.355 4.715 4.340 0.034 0.000 0.289 19 Q C -3.248 172.749 176.000 -0.004 0.000 0.912 19 Q CA -1.449 54.371 55.803 0.029 0.000 0.789 19 Q CB 0.828 29.591 28.738 0.042 0.000 1.498 19 Q HN -0.237 nan 8.270 nan 0.000 0.408 20 P HA 0.208 nan 4.420 nan 0.000 0.268 20 P C -2.429 174.867 177.300 -0.007 0.000 1.205 20 P CA -0.747 62.311 63.100 -0.070 0.000 0.771 20 P CB -0.181 31.473 31.700 -0.076 0.000 0.858 21 P HA 0.151 nan 4.420 nan 0.000 0.280 21 P C -0.485 177.060 177.300 0.409 0.000 1.244 21 P CA 0.117 63.346 63.100 0.215 0.000 0.784 21 P CB 0.603 32.453 31.700 0.249 0.000 0.913 22 T N -1.440 113.264 114.554 0.249 0.000 2.900 22 T HA 0.324 4.694 4.350 0.034 0.000 0.295 22 T C 0.900 175.263 174.700 -0.561 0.000 1.044 22 T CA -0.910 61.184 62.100 -0.011 0.000 0.995 22 T CB 2.256 71.097 68.868 -0.046 0.000 1.072 22 T HN 0.312 nan 8.240 nan 0.000 0.473 23 K N 1.087 120.784 120.400 -1.172 0.000 2.147 23 K HA -0.024 4.317 4.320 0.034 0.000 0.205 23 K C 2.279 178.497 176.600 -0.637 0.000 1.049 23 K CA 1.343 56.755 56.287 -1.459 0.000 0.936 23 K CB -0.656 30.930 32.500 -1.523 0.000 0.722 23 K HN 0.734 nan 8.250 nan 0.000 0.446 24 A N 0.344 122.927 122.820 -0.396 0.000 1.902 24 A HA -0.131 4.210 4.320 0.034 0.000 0.217 24 A C 2.139 179.611 177.584 -0.186 0.000 1.181 24 A CA 2.110 54.005 52.037 -0.237 0.000 0.623 24 A CB -0.908 17.996 19.000 -0.160 0.000 0.818 24 A HN 0.397 nan 8.150 nan 0.000 0.443 25 T N -1.251 113.203 114.554 -0.167 0.000 2.857 25 T HA -0.156 4.214 4.350 0.034 0.000 0.266 25 T C 1.939 176.569 174.700 -0.117 0.000 1.048 25 T CA 1.247 63.278 62.100 -0.115 0.000 1.139 25 T CB -0.729 68.096 68.868 -0.072 0.000 0.874 25 T HN 0.609 nan 8.240 nan 0.000 0.455 26 C N 1.878 121.095 119.300 -0.138 0.000 2.413 26 C HA -0.143 4.337 4.460 0.034 0.000 0.276 26 C C 2.429 177.359 174.990 -0.101 0.000 1.236 26 C CA 1.100 60.068 59.018 -0.082 0.000 1.735 26 C CB -1.127 26.598 27.740 -0.025 0.000 2.031 26 C HN 0.500 nan 8.230 nan 0.000 0.474 27 D N -0.184 120.125 120.400 -0.153 0.000 2.117 27 D HA -0.143 4.517 4.640 0.034 0.000 0.197 27 D C 2.327 178.576 176.300 -0.085 0.000 0.987 27 D CA 1.294 55.224 54.000 -0.117 0.000 0.829 27 D CB -0.660 40.053 40.800 -0.145 0.000 0.961 27 D HN 0.672 nan 8.370 nan 0.000 0.460 28 Q N 0.060 119.804 119.800 -0.094 0.000 2.135 28 Q HA -0.088 4.272 4.340 0.034 0.000 0.204 28 Q C 1.977 177.941 176.000 -0.060 0.000 0.981 28 Q CA 1.058 56.815 55.803 -0.076 0.000 0.856 28 Q CB -0.021 28.665 28.738 -0.085 0.000 0.902 28 Q HN 0.248 nan 8.270 nan 0.000 0.425 29 R N -0.822 119.642 120.500 -0.059 0.000 2.297 29 R HA 0.066 4.426 4.340 0.034 0.000 0.197 29 R C 0.921 177.262 176.300 0.068 0.000 0.943 29 R CA 0.506 56.594 56.100 -0.020 0.000 1.038 29 R CB 0.365 30.622 30.300 -0.071 0.000 0.957 29 R HN 0.344 nan 8.270 nan 0.000 0.484 30 G N 0.950 109.765 108.800 0.025 0.000 2.176 30 G HA2 -0.296 3.685 3.960 0.034 0.000 0.252 30 G HA3 -0.296 3.685 3.960 0.034 0.000 0.252 30 G C 0.179 175.131 174.900 0.086 0.000 1.024 30 G CA 0.088 45.219 45.100 0.052 0.000 0.755 30 G HN 0.340 nan 8.290 nan 0.000 0.507 31 c N -0.908 117.696 118.600 0.006 0.000 2.352 31 c HA 0.766 5.356 4.570 0.034 0.000 0.387 31 c C 1.374 175.387 174.090 -0.128 0.000 1.294 31 c CA -0.480 55.804 56.329 -0.075 0.000 2.137 31 c CB 1.188 43.573 42.510 -0.209 0.000 2.146 31 c HN 0.689 nan 8.230 nan 0.000 0.559 32 C N 1.269 120.368 119.300 -0.335 0.000 2.365 32 C HA 0.514 4.994 4.460 0.034 0.000 0.351 32 C C -0.272 174.523 174.990 -0.325 0.000 1.240 32 C CA -0.613 58.138 59.018 -0.446 0.000 2.062 32 C CB -0.064 27.120 27.740 -0.927 0.000 2.387 32 C HN 0.859 nan 8.230 nan 0.000 0.537 33 W N 4.408 125.550 121.300 -0.263 0.000 2.532 33 W HA 0.451 5.131 4.660 0.034 0.000 0.321 33 W C -0.753 175.755 176.519 -0.018 0.000 1.037 33 W CA -0.186 57.099 57.345 -0.101 0.000 1.220 33 W CB 1.174 30.586 29.460 -0.080 0.000 1.361 33 W HN 0.716 nan 8.180 nan 0.000 0.468 34 N N 7.376 125.751 118.700 -0.540 0.000 2.969 34 N HA 0.159 4.919 4.740 0.034 0.000 0.230 34 N C -2.502 172.544 175.510 -0.773 0.000 1.397 34 N CA -1.150 51.624 53.050 -0.458 0.000 0.762 34 N CB 1.468 39.931 38.487 -0.041 0.000 1.495 34 N HN 0.055 nan 8.380 nan 0.000 0.583 35 P HA 0.034 nan 4.420 nan 0.000 0.247 35 P C -0.302 176.341 177.300 -1.095 0.000 1.225 35 P CA 0.574 62.589 63.100 -1.808 0.000 0.768 35 P CB 0.108 30.698 31.700 -1.849 0.000 1.020 36 Q N 0.739 120.192 119.800 -0.579 0.000 2.288 36 Q HA 0.584 4.944 4.340 0.034 0.000 0.254 36 Q C 0.844 176.727 176.000 -0.196 0.000 0.932 36 Q CA 0.007 55.624 55.803 -0.311 0.000 0.902 36 Q CB 1.149 29.764 28.738 -0.205 0.000 1.203 36 Q HN 0.148 nan 8.270 nan 0.000 0.415 37 G N -0.353 108.387 108.800 -0.100 0.000 2.350 37 G HA2 0.422 4.403 3.960 0.034 0.000 0.305 37 G HA3 0.422 4.403 3.960 0.034 0.000 0.305 37 G C -1.347 173.541 174.900 -0.019 0.000 1.479 37 G CA -0.429 44.640 45.100 -0.052 0.000 0.949 37 G HN 0.675 nan 8.290 nan 0.000 0.651 38 A N -0.459 122.342 122.820 -0.031 0.000 2.310 38 A HA 0.739 5.080 4.320 0.034 0.000 0.260 38 A C 1.297 178.830 177.584 -0.084 0.000 1.112 38 A CA 0.462 52.482 52.037 -0.028 0.000 0.804 38 A CB 0.603 19.605 19.000 0.004 0.000 1.081 38 A HN 2.293 nan 8.150 nan 0.000 0.499 39 V N 0.898 120.767 119.914 -0.075 0.000 2.752 39 V HA 0.179 4.319 4.120 0.034 0.000 0.306 39 V C 1.028 176.946 176.094 -0.294 0.000 1.099 39 V CA 2.076 64.296 62.300 -0.133 0.000 1.240 39 V CB 0.083 31.860 31.823 -0.076 0.000 0.887 39 V HN 1.615 nan 8.190 nan 0.000 0.499 40 S N 1.461 116.920 115.700 -0.403 0.000 2.361 40 S HA -0.176 4.314 4.470 0.034 0.000 0.247 40 S C 0.197 174.074 174.600 -1.204 0.000 1.218 40 S CA 0.868 58.679 58.200 -0.649 0.000 1.502 40 S CB -1.542 61.357 63.200 -0.502 0.000 1.893 40 S HN 1.050 nan 8.310 nan 0.000 0.610 41 V N 4.460 123.754 119.914 -1.033 0.000 2.529 41 V HA 0.207 4.348 4.120 0.034 0.000 0.292 41 V C -1.832 173.914 176.094 -0.581 0.000 1.028 41 V CA -0.905 60.790 62.300 -1.009 0.000 1.074 41 V CB 0.164 31.739 31.823 -0.414 0.000 0.958 41 V HN 0.143 nan 8.190 nan 0.000 0.481 42 P HA 0.064 nan 4.420 nan 0.000 0.271 42 P C -0.041 177.282 177.300 0.037 0.000 1.226 42 P CA -0.186 62.792 63.100 -0.203 0.000 0.765 42 P CB 0.441 32.100 31.700 -0.068 0.000 0.835 43 W N 2.007 123.167 121.300 -0.233 0.000 2.467 43 W HA 0.023 4.704 4.660 0.034 0.000 0.275 43 W C 0.827 177.198 176.519 -0.247 0.000 1.239 43 W CA -0.063 57.044 57.345 -0.396 0.000 1.266 43 W CB -0.664 28.412 29.460 -0.641 0.000 1.112 43 W HN 0.256 nan 8.180 nan 0.000 0.576 44 C N 1.559 120.997 119.300 0.231 0.000 2.340 44 C HA 0.656 5.136 4.460 0.034 0.000 0.323 44 C C -0.591 174.477 174.990 0.130 0.000 1.260 44 C CA -0.844 58.312 59.018 0.230 0.000 1.464 44 C CB -1.156 26.770 27.740 0.310 0.000 2.156 44 C HN 0.219 nan 8.230 nan 0.000 0.476 45 Y N 2.883 123.152 120.300 -0.051 0.000 2.588 45 Y HA 0.710 5.280 4.550 0.034 0.000 0.343 45 Y C -1.187 174.637 175.900 -0.126 0.000 1.065 45 Y CA -1.534 56.502 58.100 -0.107 0.000 1.038 45 Y CB 0.326 38.792 38.460 0.010 0.000 1.297 45 Y HN 0.581 nan 8.280 nan 0.000 0.467 46 Y N 1.720 122.094 120.300 0.124 0.000 2.497 46 Y HA 0.298 4.868 4.550 0.034 0.000 0.334 46 Y C 1.134 177.082 175.900 0.080 0.000 1.199 46 Y CA 0.282 58.378 58.100 -0.008 0.000 1.425 46 Y CB 0.773 39.194 38.460 -0.066 0.000 1.291 46 Y HN 0.791 nan 8.280 nan 0.000 0.562 47 S N 1.509 117.346 115.700 0.228 0.000 2.634 47 S HA 0.207 4.697 4.470 0.034 0.000 0.261 47 S C 0.539 175.274 174.600 0.224 0.000 1.271 47 S CA -0.919 57.393 58.200 0.187 0.000 0.985 47 S CB 0.778 64.064 63.200 0.143 0.000 0.968 47 S HN 0.693 nan 8.310 nan 0.000 0.568 48 K N 0.492 120.994 120.400 0.170 0.000 2.589 48 K HA 0.141 4.482 4.320 0.034 0.000 0.192 48 K C 0.214 176.892 176.600 0.129 0.000 1.029 48 K CA 0.236 56.608 56.287 0.141 0.000 1.031 48 K CB -0.243 32.322 32.500 0.108 0.000 0.821 48 K HN 0.418 nan 8.250 nan 0.000 0.502 49 N N 0.495 119.286 118.700 0.151 0.000 2.604 49 N HA -0.012 4.748 4.740 0.034 0.000 0.284 49 N C -1.295 174.303 175.510 0.147 0.000 1.716 49 N CA -0.069 53.059 53.050 0.129 0.000 0.859 49 N CB 0.325 38.859 38.487 0.079 0.000 1.403 49 N HN 0.199 nan 8.380 nan 0.000 0.501 50 H N 0.729 119.863 119.070 0.106 0.000 2.534 50 H HA 0.301 4.877 4.556 0.034 0.000 0.364 50 H C 1.020 176.401 175.328 0.088 0.000 1.328 50 H CA 2.042 58.150 56.048 0.100 0.000 1.415 50 H CB 1.487 31.334 29.762 0.141 0.000 1.573 50 H HN 0.478 nan 8.280 nan 0.000 0.601 51 S N 0.231 115.991 115.700 0.099 0.000 4.101 51 S HA -0.217 4.273 4.470 0.034 0.000 0.628 51 S C -1.202 173.394 174.600 -0.006 0.000 1.931 51 S CA 0.320 58.622 58.200 0.169 0.000 4.066 51 S CB -1.293 62.121 63.200 0.357 0.000 0.219 51 S HN 0.619 nan 8.310 nan 0.000 0.588 52 Y N 4.276 124.675 120.300 0.164 0.000 2.536 52 Y HA 0.805 5.376 4.550 0.034 0.000 0.347 52 Y C 0.523 176.534 175.900 0.185 0.000 1.000 52 Y CA -0.006 58.156 58.100 0.103 0.000 1.051 52 Y CB 1.676 40.145 38.460 0.015 0.000 1.259 52 Y HN 0.929 nan 8.280 nan 0.000 0.468 53 H N -0.862 118.347 119.070 0.231 0.000 2.747 53 H HA 0.650 5.227 4.556 0.034 0.000 0.371 53 H C -1.426 174.003 175.328 0.168 0.000 1.161 53 H CA -1.139 55.026 56.048 0.195 0.000 1.167 53 H CB 0.992 30.819 29.762 0.107 0.000 1.732 53 H HN 0.425 nan 8.280 nan 0.000 0.544 54 V N 1.964 122.012 119.914 0.224 0.000 2.521 54 V HA -0.036 4.104 4.120 0.034 0.000 0.286 54 V C 0.608 176.790 176.094 0.146 0.000 1.034 54 V CA 0.027 62.402 62.300 0.124 0.000 1.045 54 V CB 0.455 32.378 31.823 0.166 0.000 0.974 54 V HN 0.764 nan 8.190 nan 0.000 0.480 55 E N 4.624 124.844 120.200 0.033 0.000 2.044 55 E HA 0.530 4.900 4.350 0.034 0.000 0.282 55 E C 0.542 177.180 176.600 0.063 0.000 1.031 55 E CA 0.869 57.312 56.400 0.072 0.000 0.824 55 E CB 0.486 30.182 29.700 -0.007 0.000 1.076 55 E HN 0.998 nan 8.360 nan 0.000 0.395 56 G N 4.299 113.147 108.800 0.079 0.000 2.539 56 G HA2 -0.288 3.692 3.960 0.034 0.000 0.256 56 G HA3 -0.288 3.692 3.960 0.034 0.000 0.256 56 G C -0.412 174.515 174.900 0.044 0.000 1.233 56 G CA -0.207 44.923 45.100 0.052 0.000 0.936 56 G HN 0.632 nan 8.290 nan 0.000 0.571 57 N N -0.189 118.531 118.700 0.033 0.000 2.492 57 N HA 0.622 5.382 4.740 0.034 0.000 0.289 57 N C 0.218 175.748 175.510 0.033 0.000 1.133 57 N CA -0.662 52.403 53.050 0.026 0.000 0.961 57 N CB 1.066 39.565 38.487 0.019 0.000 1.186 57 N HN 0.487 nan 8.380 nan 0.000 0.493 58 L N 0.636 121.872 121.223 0.023 0.000 2.452 58 L HA 0.230 4.590 4.340 0.034 0.000 0.267 58 L C -0.010 176.900 176.870 0.067 0.000 1.188 58 L CA -0.064 54.805 54.840 0.049 0.000 0.821 58 L CB 0.498 42.533 42.059 -0.041 0.000 1.102 58 L HN 0.207 nan 8.230 nan 0.000 0.470 59 V N 2.453 122.440 119.914 0.123 0.000 2.409 59 V HA 0.331 4.471 4.120 0.034 0.000 0.291 59 V C -0.079 176.119 176.094 0.173 0.000 1.020 59 V CA -1.027 61.341 62.300 0.113 0.000 0.848 59 V CB 1.474 33.351 31.823 0.089 0.000 0.990 59 V HN 0.726 nan 8.190 nan 0.000 0.430 60 N N 2.861 121.647 118.700 0.144 0.000 2.492 60 N HA 0.387 5.147 4.740 0.034 0.000 0.262 60 N C 0.224 175.821 175.510 0.145 0.000 1.202 60 N CA 0.236 53.389 53.050 0.172 0.000 0.926 60 N CB 0.801 39.359 38.487 0.118 0.000 1.078 60 N HN 0.911 nan 8.380 nan 0.000 0.454 61 T N -1.669 112.986 114.554 0.168 0.000 2.907 61 T HA 0.351 4.721 4.350 0.034 0.000 0.290 61 T C 0.716 175.501 174.700 0.141 0.000 1.066 61 T CA -0.905 61.272 62.100 0.128 0.000 1.012 61 T CB 1.200 70.136 68.868 0.114 0.000 1.184 61 T HN 0.384 nan 8.240 nan 0.000 0.522 62 N N 0.182 118.953 118.700 0.119 0.000 2.094 62 N HA -0.120 4.641 4.740 0.034 0.000 0.191 62 N C 2.060 177.691 175.510 0.201 0.000 1.023 62 N CA 1.239 54.365 53.050 0.128 0.000 0.857 62 N CB -0.232 38.310 38.487 0.091 0.000 1.013 62 N HN 0.752 nan 8.380 nan 0.000 0.426 63 A N -0.369 122.600 122.820 0.249 0.000 2.016 63 A HA 0.323 4.664 4.320 0.034 0.000 0.217 63 A C 1.463 179.253 177.584 0.344 0.000 1.162 63 A CA 1.541 53.803 52.037 0.376 0.000 0.662 63 A CB -0.043 19.220 19.000 0.438 0.000 0.812 63 A HN 0.452 nan 8.150 nan 0.000 0.450 64 G N -1.834 107.149 108.800 0.305 0.000 2.693 64 G HA2 0.405 4.386 3.960 0.034 0.000 0.119 64 G HA3 0.405 4.386 3.960 0.034 0.000 0.119 64 G C -0.398 174.750 174.900 0.413 0.000 1.063 64 G CA 0.134 45.511 45.100 0.461 0.000 1.405 64 G HN 1.031 nan 8.290 nan 0.000 0.626 65 F N 0.135 120.196 119.950 0.185 0.000 2.713 65 F HA 0.793 5.341 4.527 0.034 0.000 0.311 65 F C -0.492 175.343 175.800 0.059 0.000 1.141 65 F CA -0.413 57.659 58.000 0.120 0.000 0.939 65 F CB 1.356 40.435 39.000 0.132 0.000 1.325 65 F HN 0.652 nan 8.300 nan 0.000 0.453 66 T N -0.350 114.355 114.554 0.252 0.000 2.924 66 T HA 0.950 5.320 4.350 0.034 0.000 0.291 66 T C -0.879 173.963 174.700 0.237 0.000 1.045 66 T CA -0.484 61.698 62.100 0.138 0.000 1.015 66 T CB 1.696 70.589 68.868 0.041 0.000 1.103 66 T HN 1.634 nan 8.240 nan 0.000 0.496 67 A N 1.420 124.323 122.820 0.139 0.000 2.486 67 A HA 0.773 5.113 4.320 0.034 0.000 0.300 67 A C -0.463 177.108 177.584 -0.020 0.000 1.048 67 A CA -1.081 51.011 52.037 0.091 0.000 0.696 67 A CB 1.568 20.653 19.000 0.141 0.000 1.278 67 A HN 1.012 nan 8.150 nan 0.000 0.405 68 R N 2.431 122.913 120.500 -0.030 0.000 2.254 68 R HA 0.619 4.980 4.340 0.034 0.000 0.318 68 R C -1.360 174.871 176.300 -0.115 0.000 1.031 68 R CA -0.344 55.708 56.100 -0.079 0.000 0.905 68 R CB 0.289 30.560 30.300 -0.049 0.000 1.050 68 R HN 0.676 nan 8.270 nan 0.000 0.456 69 L N 3.928 125.040 121.223 -0.185 0.000 2.317 69 L HA 0.528 4.888 4.340 0.034 0.000 0.281 69 L C -0.207 176.611 176.870 -0.087 0.000 1.024 69 L CA -0.890 53.839 54.840 -0.184 0.000 0.810 69 L CB 1.725 43.575 42.059 -0.348 0.000 1.240 69 L HN 0.553 nan 8.230 nan 0.000 0.427 70 K N 1.715 121.986 120.400 -0.215 0.000 2.270 70 K HA 0.275 4.615 4.320 0.034 0.000 0.255 70 K C -0.424 176.036 176.600 -0.233 0.000 0.936 70 K CA -0.788 55.364 56.287 -0.225 0.000 0.809 70 K CB 1.359 33.631 32.500 -0.381 0.000 1.131 70 K HN 0.427 nan 8.250 nan 0.000 0.427 71 N N 3.558 122.107 118.700 -0.251 0.000 2.440 71 N HA 0.022 4.782 4.740 0.034 0.000 0.265 71 N C -0.907 174.437 175.510 -0.276 0.000 1.239 71 N CA 0.172 52.851 53.050 -0.617 0.000 0.909 71 N CB 0.194 38.407 38.487 -0.456 0.000 1.066 71 N HN 0.454 nan 8.380 nan 0.000 0.474 72 L N 5.617 126.695 121.223 -0.241 0.000 2.410 72 L HA 0.268 4.628 4.340 0.034 0.000 0.273 72 L C -1.661 175.124 176.870 -0.142 0.000 1.144 72 L CA -1.695 53.109 54.840 -0.060 0.000 0.863 72 L CB 0.366 42.426 42.059 0.002 0.000 1.140 72 L HN 0.469 nan 8.230 nan 0.000 0.463 73 P HA -0.004 nan 4.420 nan 0.000 0.260 73 P C -0.460 176.760 177.300 -0.132 0.000 1.172 73 P CA 0.462 63.504 63.100 -0.096 0.000 0.760 73 P CB 0.776 32.440 31.700 -0.061 0.000 0.773 74 S N 1.459 117.079 115.700 -0.134 0.000 2.611 74 S HA 0.537 5.028 4.470 0.034 0.000 0.268 74 S C -1.071 173.477 174.600 -0.085 0.000 1.156 74 S CA -0.664 57.440 58.200 -0.159 0.000 0.817 74 S CB 0.681 63.691 63.200 -0.317 0.000 1.122 74 S HN 0.361 nan 8.310 nan 0.000 0.466 75 S N 2.481 118.147 115.700 -0.056 0.000 2.545 75 S HA 0.520 5.010 4.470 0.034 0.000 0.275 75 S C -2.580 172.010 174.600 -0.018 0.000 1.299 75 S CA -0.952 57.229 58.200 -0.032 0.000 1.048 75 S CB 0.678 63.860 63.200 -0.030 0.000 0.938 75 S HN 0.572 nan 8.310 nan 0.000 0.496 76 P HA 0.229 nan 4.420 nan 0.000 0.231 76 P C 1.059 178.307 177.300 -0.088 0.000 1.811 76 P CA -0.475 62.616 63.100 -0.015 0.000 1.051 76 P CB 0.046 31.749 31.700 0.005 0.000 1.951 77 V N 1.493 121.300 119.914 -0.177 0.000 2.225 77 V HA -0.265 3.875 4.120 0.034 0.000 0.252 77 V C 1.431 177.150 176.094 -0.625 0.000 1.055 77 V CA 1.999 63.991 62.300 -0.513 0.000 1.032 77 V CB -1.358 30.003 31.823 -0.769 0.000 0.655 77 V HN 0.305 nan 8.190 nan 0.000 0.458 78 F N 0.533 120.410 119.950 -0.123 0.000 2.983 78 F HA 0.594 5.142 4.527 0.034 0.000 0.307 78 F C 1.047 176.871 175.800 0.040 0.000 1.218 78 F CA 0.469 58.421 58.000 -0.079 0.000 1.323 78 F CB 0.301 39.162 39.000 -0.231 0.000 0.989 78 F HN 0.476 nan 8.300 nan 0.000 0.509 79 G N -0.166 108.710 108.800 0.127 0.000 2.475 79 G HA2 -0.230 3.750 3.960 0.034 0.000 0.223 79 G HA3 -0.230 3.750 3.960 0.034 0.000 0.223 79 G C -0.262 174.716 174.900 0.131 0.000 1.201 79 G CA -0.685 44.488 45.100 0.122 0.000 0.962 79 G HN 0.082 nan 8.290 nan 0.000 0.586 80 S N 2.091 117.871 115.700 0.135 0.000 2.711 80 S HA 0.208 4.699 4.470 0.034 0.000 0.335 80 S C 0.494 175.198 174.600 0.174 0.000 1.175 80 S CA 0.078 58.355 58.200 0.129 0.000 1.372 80 S CB -0.256 63.014 63.200 0.115 0.000 1.337 80 S HN 0.653 nan 8.310 nan 0.000 0.572 81 N N 3.120 121.916 118.700 0.160 0.000 2.414 81 N HA 0.141 4.902 4.740 0.034 0.000 0.256 81 N C -0.494 175.132 175.510 0.192 0.000 1.029 81 N CA -0.262 52.912 53.050 0.206 0.000 0.948 81 N CB 1.065 39.644 38.487 0.154 0.000 1.102 81 N HN 0.196 nan 8.380 nan 0.000 0.496 82 V N 4.409 124.491 119.914 0.280 0.000 2.485 82 V HA -0.052 4.088 4.120 0.034 0.000 0.287 82 V C 1.243 177.423 176.094 0.143 0.000 1.022 82 V CA 0.005 62.408 62.300 0.172 0.000 1.067 82 V CB 0.675 32.538 31.823 0.066 0.000 0.967 82 V HN 0.620 nan 8.190 nan 0.000 0.479 83 D N 2.713 123.149 120.400 0.060 0.000 2.117 83 D HA -0.062 4.599 4.640 0.034 0.000 0.197 83 D C 0.565 176.891 176.300 0.044 0.000 0.987 83 D CA 1.487 55.504 54.000 0.028 0.000 0.829 83 D CB 0.066 40.869 40.800 0.004 0.000 0.961 83 D HN 0.556 nan 8.370 nan 0.000 0.460 84 N N 0.181 118.881 118.700 0.001 0.000 2.399 84 N HA 0.280 5.040 4.740 0.034 0.000 0.284 84 N C -1.115 174.293 175.510 -0.170 0.000 1.025 84 N CA -0.283 52.736 53.050 -0.051 0.000 0.885 84 N CB 3.049 41.498 38.487 -0.063 0.000 1.339 84 N HN -0.202 nan 8.380 nan 0.000 0.487 85 V N 2.273 122.039 119.914 -0.246 0.000 2.513 85 V HA 0.434 4.574 4.120 0.034 0.000 0.299 85 V C -0.320 175.565 176.094 -0.348 0.000 1.035 85 V CA -0.852 61.162 62.300 -0.477 0.000 0.889 85 V CB 2.188 33.528 31.823 -0.806 0.000 0.988 85 V HN 0.462 nan 8.190 nan 0.000 0.440 86 L N 5.560 126.598 121.223 -0.307 0.000 2.296 86 L HA 0.645 5.006 4.340 0.034 0.000 0.286 86 L C -0.802 175.941 176.870 -0.212 0.000 1.023 86 L CA -0.270 54.443 54.840 -0.212 0.000 0.812 86 L CB 1.433 43.401 42.059 -0.152 0.000 1.223 86 L HN 0.623 nan 8.230 nan 0.000 0.421 87 L N 5.040 126.151 121.223 -0.186 0.000 2.264 87 L HA 0.594 4.954 4.340 0.034 0.000 0.289 87 L C -0.507 176.282 176.870 -0.136 0.000 1.044 87 L CA 0.487 55.241 54.840 -0.143 0.000 0.807 87 L CB 1.182 43.177 42.059 -0.107 0.000 1.192 87 L HN 0.739 nan 8.230 nan 0.000 0.425 88 T N 5.092 119.525 114.554 -0.202 0.000 2.779 88 T HA 0.822 5.192 4.350 0.034 0.000 0.280 88 T C -0.413 174.018 174.700 -0.450 0.000 0.987 88 T CA -0.357 61.578 62.100 -0.275 0.000 0.966 88 T CB 1.358 70.087 68.868 -0.231 0.000 0.933 88 T HN 0.807 nan 8.240 nan 0.000 0.442 89 A N 3.428 125.875 122.820 -0.622 0.000 2.355 89 A HA 0.771 5.112 4.320 0.034 0.000 0.317 89 A C -0.579 176.631 177.584 -0.624 0.000 1.094 89 A CA -0.835 50.712 52.037 -0.817 0.000 0.764 89 A CB 1.094 19.319 19.000 -1.293 0.000 1.230 89 A HN 0.804 nan 8.150 nan 0.000 0.448 90 E N 0.943 120.769 120.200 -0.624 0.000 2.246 90 E HA 0.313 4.684 4.350 0.034 0.000 0.266 90 E C -1.870 174.579 176.600 -0.252 0.000 0.880 90 E CA -0.343 55.849 56.400 -0.348 0.000 0.762 90 E CB 1.806 31.297 29.700 -0.348 0.000 1.180 90 E HN 0.627 nan 8.360 nan 0.000 0.416 91 Y N 2.704 123.040 120.300 0.061 0.000 2.724 91 Y HA 0.054 4.625 4.550 0.034 0.000 0.332 91 Y C 1.398 177.304 175.900 0.009 0.000 1.276 91 Y CA 0.024 58.270 58.100 0.244 0.000 1.597 91 Y CB 0.171 38.772 38.460 0.235 0.000 1.584 91 Y HN 0.544 nan 8.280 nan 0.000 0.478 92 Q N 0.711 120.475 119.800 -0.061 0.000 2.083 92 Q HA -0.057 4.303 4.340 0.034 0.000 0.198 92 Q C 0.907 176.935 176.000 0.047 0.000 0.969 92 Q CA 1.464 57.032 55.803 -0.392 0.000 0.838 92 Q CB 0.258 28.735 28.738 -0.434 0.000 0.900 92 Q HN 0.644 nan 8.270 nan 0.000 0.436 93 T N -4.879 109.787 114.554 0.185 0.000 2.812 93 T HA 0.283 4.654 4.350 0.034 0.000 0.294 93 T C 0.581 175.448 174.700 0.279 0.000 1.159 93 T CA -0.534 61.698 62.100 0.220 0.000 1.008 93 T CB 1.540 70.526 68.868 0.197 0.000 1.289 93 T HN -0.122 nan 8.240 nan 0.000 0.514 94 S N 0.736 116.556 115.700 0.201 0.000 2.440 94 S HA -0.049 4.441 4.470 0.034 0.000 0.238 94 S C 1.287 176.069 174.600 0.304 0.000 1.010 94 S CA 0.948 59.248 58.200 0.166 0.000 0.972 94 S CB -0.415 62.844 63.200 0.098 0.000 0.774 94 S HN 0.732 nan 8.310 nan 0.000 0.501 95 N N 0.202 119.111 118.700 0.349 0.000 2.170 95 N HA 0.155 4.916 4.740 0.034 0.000 0.222 95 N C 0.013 175.734 175.510 0.351 0.000 1.218 95 N CA 0.019 53.288 53.050 0.365 0.000 0.889 95 N CB 0.934 39.572 38.487 0.251 0.000 1.083 95 N HN 0.257 nan 8.380 nan 0.000 0.520 96 R N 0.678 121.388 120.500 0.351 0.000 2.538 96 R HA 0.284 4.644 4.340 0.034 0.000 0.292 96 R C -1.911 174.449 176.300 0.101 0.000 1.008 96 R CA -0.483 55.726 56.100 0.183 0.000 0.896 96 R CB 1.171 31.625 30.300 0.255 0.000 1.187 96 R HN -0.179 nan 8.270 nan 0.000 0.440 97 F N 3.637 123.374 119.950 -0.354 0.000 2.495 97 F HA 0.438 4.985 4.527 0.034 0.000 0.327 97 F C -1.120 174.508 175.800 -0.288 0.000 1.103 97 F CA -0.785 56.972 58.000 -0.404 0.000 0.949 97 F CB 1.360 39.893 39.000 -0.778 0.000 1.142 97 F HN 0.657 nan 8.300 nan 0.000 0.457 98 H N 6.399 124.755 119.070 -1.190 0.000 2.609 98 H HA 0.551 5.128 4.556 0.034 0.000 0.344 98 H C -1.759 172.777 175.328 -1.321 0.000 1.040 98 H CA -1.137 54.183 56.048 -1.214 0.000 1.216 98 H CB 1.076 30.288 29.762 -0.917 0.000 1.529 98 H HN 0.507 nan 8.280 nan 0.000 0.519 99 F N 3.091 122.206 119.950 -1.392 0.000 2.578 99 F HA 0.588 5.135 4.527 0.034 0.000 0.311 99 F C -1.541 173.784 175.800 -0.791 0.000 1.094 99 F CA -1.067 56.280 58.000 -1.089 0.000 0.923 99 F CB 1.602 40.156 39.000 -0.745 0.000 1.230 99 F HN 0.567 nan 8.300 nan 0.000 0.450 100 K N 4.312 124.389 120.400 -0.539 0.000 2.427 100 K HA 0.738 5.078 4.320 0.034 0.000 0.252 100 K C -2.370 174.144 176.600 -0.143 0.000 0.931 100 K CA -0.802 55.253 56.287 -0.387 0.000 0.793 100 K CB 2.474 34.707 32.500 -0.446 0.000 1.211 100 K HN 0.966 nan 8.250 nan 0.000 0.426 101 L N 3.267 124.473 121.223 -0.030 0.000 2.298 101 L HA 0.438 4.799 4.340 0.034 0.000 0.284 101 L C -0.384 176.554 176.870 0.114 0.000 1.013 101 L CA -0.445 54.414 54.840 0.031 0.000 0.824 101 L CB 2.005 44.159 42.059 0.159 0.000 1.221 101 L HN 0.959 nan 8.230 nan 0.000 0.418 102 T N -2.386 112.120 114.554 -0.080 0.000 2.907 102 T HA 0.351 4.721 4.350 0.034 0.000 0.290 102 T C -0.759 173.745 174.700 -0.327 0.000 1.066 102 T CA -0.914 61.151 62.100 -0.060 0.000 1.012 102 T CB 2.172 71.004 68.868 -0.060 0.000 1.184 102 T HN 0.331 nan 8.240 nan 0.000 0.522 103 D N 0.492 120.755 120.400 -0.228 0.000 2.339 103 D HA 0.092 4.752 4.640 0.034 0.000 0.256 103 D C 1.036 177.236 176.300 -0.166 0.000 1.214 103 D CA -0.023 53.809 54.000 -0.279 0.000 0.877 103 D CB 1.549 42.297 40.800 -0.086 0.000 1.111 103 D HN 0.707 nan 8.370 nan 0.000 0.478 104 Q N 2.069 121.761 119.800 -0.181 0.000 2.170 104 Q HA -0.167 4.193 4.340 0.034 0.000 0.203 104 Q C 1.523 177.481 176.000 -0.070 0.000 0.976 104 Q CA 1.855 57.588 55.803 -0.117 0.000 0.858 104 Q CB 0.240 28.910 28.738 -0.113 0.000 0.907 104 Q HN 0.683 nan 8.270 nan 0.000 0.433 105 T N -2.455 112.064 114.554 -0.058 0.000 3.051 105 T HA 0.132 4.502 4.350 0.034 0.000 0.255 105 T C 0.469 175.161 174.700 -0.014 0.000 1.085 105 T CA -0.135 61.948 62.100 -0.029 0.000 1.109 105 T CB 0.267 69.124 68.868 -0.019 0.000 0.921 105 T HN 0.012 nan 8.240 nan 0.000 0.488 106 N N 1.984 120.678 118.700 -0.010 0.000 2.249 106 N HA 0.368 5.128 4.740 0.034 0.000 0.296 106 N C -1.583 173.939 175.510 0.020 0.000 1.051 106 N CA -0.631 52.427 53.050 0.013 0.000 0.815 106 N CB 1.680 40.188 38.487 0.034 0.000 1.487 106 N HN 0.106 nan 8.380 nan 0.000 0.475 107 N N 1.362 120.076 118.700 0.023 0.000 2.492 107 N HA 0.190 4.950 4.740 0.034 0.000 0.260 107 N C 0.075 175.621 175.510 0.060 0.000 1.215 107 N CA 0.427 53.493 53.050 0.026 0.000 0.923 107 N CB 1.051 39.548 38.487 0.016 0.000 1.092 107 N HN 0.346 nan 8.380 nan 0.000 0.448 108 R N 0.286 120.828 120.500 0.070 0.000 2.912 108 R HA 0.376 4.736 4.340 0.034 0.000 0.262 108 R C -0.553 175.819 176.300 0.120 0.000 1.057 108 R CA -0.940 55.236 56.100 0.126 0.000 0.981 108 R CB 1.392 31.793 30.300 0.168 0.000 1.201 108 R HN 0.438 nan 8.270 nan 0.000 0.484 109 F N 1.795 121.772 119.950 0.045 0.000 2.538 109 F HA 0.074 4.621 4.527 0.034 0.000 0.371 109 F C -0.275 175.524 175.800 -0.001 0.000 1.087 109 F CA 0.563 58.578 58.000 0.026 0.000 1.250 109 F CB 0.574 39.606 39.000 0.053 0.000 1.110 109 F HN 0.297 nan 8.300 nan 0.000 0.570 110 E N 4.786 124.429 120.200 -0.928 0.000 2.222 110 E HA 0.313 4.683 4.350 0.034 0.000 0.267 110 E C -1.063 174.843 176.600 -1.157 0.000 0.884 110 E CA -1.232 54.716 56.400 -0.754 0.000 0.764 110 E CB 2.298 31.771 29.700 -0.379 0.000 1.169 110 E HN 0.392 nan 8.360 nan 0.000 0.413 111 V N 4.519 124.026 119.914 -0.677 0.000 2.509 111 V HA -0.003 4.138 4.120 0.034 0.000 0.297 111 V C -1.635 174.219 176.094 -0.400 0.000 1.014 111 V CA -0.578 61.467 62.300 -0.424 0.000 1.127 111 V CB -0.325 31.446 31.823 -0.086 0.000 0.925 111 V HN 0.601 nan 8.190 nan 0.000 0.480 112 P HA 0.088 nan 4.420 nan 0.000 0.225 112 P C 0.080 177.113 177.300 -0.444 0.000 1.813 112 P CA -0.164 62.565 63.100 -0.619 0.000 1.013 112 P CB -0.148 30.868 31.700 -1.140 0.000 1.961 113 H N 2.369 121.317 119.070 -0.204 0.000 2.815 113 H HA -0.008 4.569 4.556 0.034 0.000 0.350 113 H C 1.134 176.537 175.328 0.125 0.000 1.080 113 H CA 0.444 56.511 56.048 0.031 0.000 1.433 113 H CB 1.166 30.974 29.762 0.078 0.000 1.432 113 H HN 0.272 nan 8.280 nan 0.000 0.592 114 E N 3.665 123.854 120.200 -0.018 0.000 2.208 114 E HA -0.177 4.194 4.350 0.034 0.000 0.193 114 E C 0.974 177.702 176.600 0.214 0.000 0.988 114 E CA 1.024 57.499 56.400 0.126 0.000 0.828 114 E CB 0.154 29.944 29.700 0.150 0.000 0.763 114 E HN 0.786 nan 8.360 nan 0.000 0.478 115 H N -0.832 118.378 119.070 0.233 0.000 2.422 115 H HA 0.211 4.787 4.556 0.034 0.000 0.303 115 H C 0.256 175.694 175.328 0.184 0.000 1.033 115 H CA 0.505 56.687 56.048 0.223 0.000 1.335 115 H CB 0.354 30.248 29.762 0.219 0.000 1.458 115 H HN -0.170 nan 8.280 nan 0.000 0.556 116 V N 3.208 123.319 119.914 0.328 0.000 2.599 116 V HA 0.012 4.152 4.120 0.034 0.000 0.300 116 V C 0.079 176.186 176.094 0.021 0.000 1.034 116 V CA 0.469 62.812 62.300 0.071 0.000 1.115 116 V CB 0.917 32.729 31.823 -0.019 0.000 0.934 116 V HN 0.475 nan 8.190 nan 0.000 0.485 117 Q N 2.296 122.081 119.800 -0.025 0.000 2.248 117 Q HA 0.468 4.828 4.340 0.034 0.000 0.263 117 Q C -0.028 175.992 176.000 0.032 0.000 1.007 117 Q CA -0.661 55.137 55.803 -0.009 0.000 0.877 117 Q CB 1.907 30.624 28.738 -0.035 0.000 1.315 117 Q HN 0.868 nan 8.270 nan 0.000 0.454 118 S N 0.568 116.286 115.700 0.031 0.000 2.562 118 S HA 0.205 4.695 4.470 0.034 0.000 0.281 118 S C -0.398 174.269 174.600 0.112 0.000 1.333 118 S CA -0.605 57.637 58.200 0.069 0.000 1.052 118 S CB 0.304 63.527 63.200 0.039 0.000 0.884 118 S HN 0.444 nan 8.310 nan 0.000 0.506 119 F N 2.489 122.447 119.950 0.014 0.000 2.412 119 F HA 0.416 4.963 4.527 0.034 0.000 0.348 119 F C 1.265 177.079 175.800 0.024 0.000 1.102 119 F CA -0.201 57.815 58.000 0.027 0.000 1.196 119 F CB 1.143 40.176 39.000 0.055 0.000 1.144 119 F HN 0.756 nan 8.300 nan 0.000 0.541 120 S N 2.227 117.516 115.700 -0.684 0.000 2.649 120 S HA 0.347 4.837 4.470 0.034 0.000 0.246 120 S C 0.878 175.113 174.600 -0.609 0.000 1.057 120 S CA 0.059 57.983 58.200 -0.459 0.000 1.051 120 S CB -0.427 62.623 63.200 -0.251 0.000 1.018 120 S HN 0.799 nan 8.310 nan 0.000 0.569 121 G N 2.133 110.201 108.800 -1.219 0.000 2.525 121 G HA2 0.403 4.383 3.960 0.034 0.000 0.276 121 G HA3 0.403 4.383 3.960 0.034 0.000 0.276 121 G C -0.358 174.460 174.900 -0.137 0.000 1.388 121 G CA -0.592 44.141 45.100 -0.611 0.000 1.050 121 G HN 0.346 nan 8.290 nan 0.000 0.520 122 N N -0.310 118.440 118.700 0.083 0.000 2.489 122 N HA 0.451 5.211 4.740 0.034 0.000 0.284 122 N C 0.406 176.125 175.510 0.348 0.000 1.158 122 N CA -0.199 52.975 53.050 0.207 0.000 0.965 122 N CB 1.442 39.997 38.487 0.113 0.000 1.195 122 N HN 0.671 nan 8.380 nan 0.000 0.506 123 A N 0.488 123.488 122.820 0.299 0.000 2.587 123 A HA 0.321 4.661 4.320 0.034 0.000 0.235 123 A C 0.660 178.355 177.584 0.184 0.000 1.044 123 A CA -0.069 52.127 52.037 0.266 0.000 0.754 123 A CB -0.416 18.671 19.000 0.145 0.000 0.968 123 A HN 0.747 nan 8.150 nan 0.000 0.509 124 A N 1.957 124.893 122.820 0.194 0.000 2.425 124 A HA 0.554 4.895 4.320 0.034 0.000 0.242 124 A C 0.889 178.492 177.584 0.032 0.000 1.077 124 A CA 0.295 52.410 52.037 0.130 0.000 0.781 124 A CB -0.117 18.975 19.000 0.153 0.000 1.020 124 A HN 2.224 nan 8.150 nan 0.000 0.494 125 A N 0.506 123.340 122.820 0.024 0.000 2.252 125 A HA 0.607 4.947 4.320 0.034 0.000 0.305 125 A C 0.879 178.446 177.584 -0.028 0.000 1.097 125 A CA 0.245 52.272 52.037 -0.017 0.000 0.849 125 A CB -0.171 18.829 19.000 -0.000 0.000 1.142 125 A HN 2.081 nan 8.150 nan 0.000 0.499 126 S N -1.067 114.603 115.700 -0.050 0.000 3.628 126 S HA -0.127 4.363 4.470 0.034 0.000 0.373 126 S C 0.072 174.629 174.600 -0.071 0.000 0.968 126 S CA 0.664 58.836 58.200 -0.047 0.000 1.215 126 S CB -2.038 61.154 63.200 -0.013 0.000 0.912 126 S HN 0.592 nan 8.310 nan 0.000 0.495 127 L N 1.092 122.223 121.223 -0.154 0.000 2.485 127 L HA 0.125 4.485 4.340 0.034 0.000 0.275 127 L C 1.926 178.677 176.870 -0.199 0.000 1.207 127 L CA 0.571 55.242 54.840 -0.280 0.000 0.855 127 L CB 0.228 41.954 42.059 -0.556 0.000 1.114 127 L HN 0.574 nan 8.230 nan 0.000 0.485 128 T N -1.796 112.689 114.554 -0.114 0.000 3.107 128 T HA 0.090 4.460 4.350 0.034 0.000 0.249 128 T C 0.024 174.765 174.700 0.068 0.000 1.096 128 T CA 0.005 62.120 62.100 0.025 0.000 1.012 128 T CB -0.225 68.723 68.868 0.134 0.000 0.977 128 T HN 0.508 nan 8.240 nan 0.000 0.527 129 Y N -0.580 119.736 120.300 0.027 0.000 2.634 129 Y HA 0.779 5.349 4.550 0.034 0.000 0.340 129 Y C -0.574 175.315 175.900 -0.020 0.000 1.058 129 Y CA -1.852 56.241 58.100 -0.011 0.000 1.081 129 Y CB 1.356 39.800 38.460 -0.027 0.000 1.295 129 Y HN 0.057 nan 8.280 nan 0.000 0.487 130 Q N 1.348 121.215 119.800 0.112 0.000 2.375 130 Q HA 0.729 5.089 4.340 0.034 0.000 0.271 130 Q C -2.094 173.926 176.000 0.034 0.000 1.074 130 Q CA -1.056 54.776 55.803 0.048 0.000 0.808 130 Q CB 2.627 31.355 28.738 -0.016 0.000 1.327 130 Q HN 0.776 nan 8.270 nan 0.000 0.441 131 V N 2.717 122.642 119.914 0.019 0.000 2.483 131 V HA 0.455 4.596 4.120 0.034 0.000 0.295 131 V C -0.713 175.334 176.094 -0.077 0.000 1.035 131 V CA -0.610 61.611 62.300 -0.131 0.000 0.896 131 V CB 1.597 33.239 31.823 -0.301 0.000 0.986 131 V HN 0.827 nan 8.190 nan 0.000 0.447 132 E N 4.241 124.374 120.200 -0.111 0.000 2.224 132 E HA 0.556 4.926 4.350 0.034 0.000 0.265 132 E C -1.522 175.003 176.600 -0.126 0.000 0.878 132 E CA -0.475 55.858 56.400 -0.112 0.000 0.759 132 E CB 1.329 30.971 29.700 -0.096 0.000 1.164 132 E HN 0.472 nan 8.360 nan 0.000 0.414 133 I N 3.240 123.731 120.570 -0.132 0.000 2.378 133 I HA 0.359 4.549 4.170 0.034 0.000 0.291 133 I C -0.277 175.786 176.117 -0.090 0.000 0.992 133 I CA -0.666 60.571 61.300 -0.105 0.000 1.154 133 I CB 1.379 39.343 38.000 -0.061 0.000 1.315 133 I HN 0.465 nan 8.210 nan 0.000 0.448 134 S N 5.927 121.559 115.700 -0.113 0.000 2.525 134 S HA 0.494 4.985 4.470 0.034 0.000 0.290 134 S C 1.064 175.675 174.600 0.018 0.000 1.152 134 S CA -0.631 57.532 58.200 -0.061 0.000 1.072 134 S CB 2.321 65.469 63.200 -0.086 0.000 1.027 134 S HN 0.520 nan 8.310 nan 0.000 0.500 135 R N 0.834 121.372 120.500 0.065 0.000 2.128 135 R HA 0.160 4.520 4.340 0.034 0.000 0.211 135 R C -0.268 176.141 176.300 0.181 0.000 1.067 135 R CA 0.668 56.853 56.100 0.141 0.000 1.010 135 R CB 0.173 30.534 30.300 0.103 0.000 0.922 135 R HN 0.486 nan 8.270 nan 0.000 0.457 136 Q N 0.629 120.497 119.800 0.114 0.000 2.695 136 Q HA 0.264 4.624 4.340 0.034 0.000 0.246 136 Q C -2.433 173.614 176.000 0.077 0.000 0.961 136 Q CA -1.346 54.523 55.803 0.110 0.000 0.708 136 Q CB 2.046 30.818 28.738 0.057 0.000 1.282 136 Q HN 0.076 nan 8.270 nan 0.000 0.482 137 P HA 0.242 nan 4.420 nan 0.000 0.279 137 P C -0.630 176.779 177.300 0.182 0.000 1.276 137 P CA -0.730 62.474 63.100 0.174 0.000 0.801 137 P CB 0.682 32.484 31.700 0.169 0.000 1.127 138 F N 1.482 121.515 119.950 0.138 0.000 2.608 138 F HA 0.258 4.805 4.527 0.034 0.000 0.380 138 F C 0.132 175.978 175.800 0.077 0.000 1.083 138 F CA 0.745 58.808 58.000 0.104 0.000 1.266 138 F CB 0.238 39.308 39.000 0.117 0.000 1.076 138 F HN 0.436 nan 8.300 nan 0.000 0.574 139 S N 6.920 122.056 115.700 -0.940 0.000 2.579 139 S HA 0.671 5.161 4.470 0.034 0.000 0.272 139 S C -1.205 172.802 174.600 -0.988 0.000 1.141 139 S CA -1.039 56.538 58.200 -1.038 0.000 0.843 139 S CB 1.727 64.684 63.200 -0.405 0.000 1.122 139 S HN 0.914 nan 8.310 nan 0.000 0.468 140 I N 0.845 121.015 120.570 -0.667 0.000 2.545 140 I HA 0.689 4.879 4.170 0.034 0.000 0.292 140 I C -1.174 174.848 176.117 -0.159 0.000 1.040 140 I CA -0.638 60.442 61.300 -0.366 0.000 1.068 140 I CB 1.780 39.553 38.000 -0.378 0.000 1.251 140 I HN 0.924 nan 8.210 nan 0.000 0.424 141 K N 6.457 126.774 120.400 -0.139 0.000 2.427 141 K HA 0.672 5.012 4.320 0.034 0.000 0.252 141 K C -2.084 174.449 176.600 -0.112 0.000 0.931 141 K CA -0.627 55.618 56.287 -0.070 0.000 0.793 141 K CB 2.206 34.649 32.500 -0.096 0.000 1.211 141 K HN 0.441 nan 8.250 nan 0.000 0.426 142 V N 3.358 123.228 119.914 -0.073 0.000 2.409 142 V HA 0.413 4.554 4.120 0.034 0.000 0.291 142 V C -0.311 175.715 176.094 -0.114 0.000 1.020 142 V CA -0.632 61.577 62.300 -0.152 0.000 0.848 142 V CB 1.415 33.113 31.823 -0.209 0.000 0.990 142 V HN 0.993 nan 8.190 nan 0.000 0.430 143 T N 1.950 116.459 114.554 -0.075 0.000 2.908 143 T HA 0.612 4.982 4.350 0.034 0.000 0.290 143 T C -0.377 174.314 174.700 -0.015 0.000 1.034 143 T CA -0.898 61.162 62.100 -0.066 0.000 1.010 143 T CB 1.866 70.701 68.868 -0.053 0.000 1.068 143 T HN 0.595 nan 8.240 nan 0.000 0.481 144 R N 1.377 121.861 120.500 -0.027 0.000 2.267 144 R HA 0.314 4.674 4.340 0.034 0.000 0.319 144 R C 1.577 177.885 176.300 0.013 0.000 1.067 144 R CA -0.548 55.563 56.100 0.018 0.000 0.936 144 R CB 0.441 30.745 30.300 0.006 0.000 1.006 144 R HN 0.812 nan 8.270 nan 0.000 0.452 145 R N 1.490 122.002 120.500 0.020 0.000 2.091 145 R HA -0.163 4.198 4.340 0.034 0.000 0.238 145 R C 2.044 178.343 176.300 -0.002 0.000 1.136 145 R CA 2.326 58.423 56.100 -0.005 0.000 0.959 145 R CB -0.060 30.226 30.300 -0.023 0.000 0.856 145 R HN 0.823 nan 8.270 nan 0.000 0.437 146 S N 0.954 116.660 115.700 0.009 0.000 2.382 146 S HA -0.142 4.348 4.470 0.034 0.000 0.228 146 S C 1.218 175.825 174.600 0.011 0.000 1.027 146 S CA 1.466 59.673 58.200 0.012 0.000 0.991 146 S CB -0.228 62.985 63.200 0.022 0.000 0.823 146 S HN 0.567 nan 8.310 nan 0.000 0.469 147 N N 0.161 118.868 118.700 0.011 0.000 2.160 147 N HA 0.154 4.914 4.740 0.034 0.000 0.226 147 N C -0.217 175.293 175.510 0.000 0.000 1.256 147 N CA 0.127 53.183 53.050 0.010 0.000 0.890 147 N CB -1.340 37.159 38.487 0.019 0.000 1.116 147 N HN 0.590 nan 8.380 nan 0.000 0.517 148 N N -0.205 118.490 118.700 -0.007 0.000 2.714 148 N HA -0.267 4.493 4.740 0.034 0.000 0.250 148 N C -0.749 174.745 175.510 -0.026 0.000 1.117 148 N CA 0.324 53.363 53.050 -0.018 0.000 0.719 148 N CB -0.693 37.783 38.487 -0.018 0.000 1.081 148 N HN 0.376 nan 8.380 nan 0.000 0.557 149 R N 0.992 121.476 120.500 -0.026 0.000 2.442 149 R HA 0.292 4.652 4.340 0.034 0.000 0.291 149 R C -0.493 175.761 176.300 -0.078 0.000 1.069 149 R CA -0.137 55.939 56.100 -0.039 0.000 1.022 149 R CB 0.740 31.024 30.300 -0.026 0.000 0.976 149 R HN 0.001 nan 8.270 nan 0.000 0.443 150 V N 7.926 127.790 119.914 -0.083 0.000 2.427 150 V HA 0.054 4.194 4.120 0.034 0.000 0.268 150 V C 1.142 177.127 176.094 -0.182 0.000 1.046 150 V CA 0.018 62.251 62.300 -0.112 0.000 0.970 150 V CB 0.771 32.542 31.823 -0.087 0.000 1.001 150 V HN 0.811 nan 8.190 nan 0.000 0.476 151 L N 4.163 125.214 121.223 -0.287 0.000 2.276 151 L HA 0.337 4.697 4.340 0.034 0.000 0.194 151 L C 0.595 177.221 176.870 -0.408 0.000 1.099 151 L CA 0.758 55.209 54.840 -0.648 0.000 0.800 151 L CB 0.053 41.527 42.059 -0.975 0.000 0.994 151 L HN 0.477 nan 8.230 nan 0.000 0.475 152 F N 0.961 120.710 119.950 -0.334 0.000 2.436 152 F HA 0.388 4.935 4.527 0.034 0.000 0.340 152 F C -0.769 174.946 175.800 -0.142 0.000 1.113 152 F CA -0.658 57.265 58.000 -0.128 0.000 1.022 152 F CB 1.207 40.160 39.000 -0.078 0.000 1.128 152 F HN -0.105 nan 8.300 nan 0.000 0.466 153 D N 2.812 123.021 120.400 -0.317 0.000 2.365 153 D HA 0.101 4.762 4.640 0.034 0.000 0.235 153 D C 0.003 176.128 176.300 -0.292 0.000 1.368 153 D CA -0.146 53.738 54.000 -0.194 0.000 1.001 153 D CB 1.282 41.991 40.800 -0.152 0.000 1.364 153 D HN 0.424 nan 8.370 nan 0.000 0.577 154 S N 1.372 116.944 115.700 -0.214 0.000 2.607 154 S HA -0.081 4.409 4.470 0.034 0.000 0.224 154 S C 1.657 176.178 174.600 -0.132 0.000 0.969 154 S CA 0.741 58.833 58.200 -0.180 0.000 0.927 154 S CB -0.249 62.924 63.200 -0.044 0.000 0.772 154 S HN 0.347 nan 8.310 nan 0.000 0.533 155 S N 1.356 116.974 115.700 -0.137 0.000 2.515 155 S HA 0.086 4.576 4.470 0.034 0.000 0.231 155 S C 1.558 176.131 174.600 -0.046 0.000 0.987 155 S CA 0.403 58.547 58.200 -0.094 0.000 0.936 155 S CB -0.825 62.318 63.200 -0.095 0.000 0.766 155 S HN 0.607 nan 8.310 nan 0.000 0.528 156 I N 1.426 121.961 120.570 -0.058 0.000 2.423 156 I HA 0.077 4.267 4.170 0.034 0.000 0.254 156 I C 1.094 177.226 176.117 0.026 0.000 1.151 156 I CA 0.979 62.264 61.300 -0.024 0.000 1.421 156 I CB -0.396 37.570 38.000 -0.056 0.000 1.079 156 I HN 0.526 nan 8.210 nan 0.000 0.431 157 G N -0.233 108.578 108.800 0.019 0.000 2.708 157 G HA2 0.499 4.479 3.960 0.034 0.000 0.289 157 G HA3 0.499 4.479 3.960 0.034 0.000 0.289 157 G C -2.920 172.003 174.900 0.039 0.000 1.416 157 G CA -0.801 44.328 45.100 0.049 0.000 0.829 157 G HN -0.114 nan 8.290 nan 0.000 0.480 158 P HA 0.365 nan 4.420 nan 0.000 0.274 158 P C -0.812 176.561 177.300 0.121 0.000 1.256 158 P CA -0.500 62.629 63.100 0.049 0.000 0.795 158 P CB 1.633 33.266 31.700 -0.111 0.000 1.038 159 L N 1.729 123.118 121.223 0.277 0.000 2.276 159 L HA 0.374 4.735 4.340 0.034 0.000 0.286 159 L C -0.889 176.205 176.870 0.373 0.000 1.061 159 L CA -0.183 54.851 54.840 0.323 0.000 0.807 159 L CB -0.237 42.055 42.059 0.389 0.000 1.177 159 L HN 0.191 nan 8.230 nan 0.000 0.429 160 L N 6.202 127.597 121.223 0.287 0.000 2.341 160 L HA 0.494 4.854 4.340 0.034 0.000 0.278 160 L C -1.018 176.068 176.870 0.361 0.000 1.005 160 L CA -0.368 54.691 54.840 0.364 0.000 0.818 160 L CB 1.648 43.894 42.059 0.313 0.000 1.259 160 L HN 0.658 nan 8.230 nan 0.000 0.418 161 F N 3.042 123.188 119.950 0.326 0.000 2.971 161 F HA 0.597 5.145 4.527 0.034 0.000 0.373 161 F C -0.073 175.878 175.800 0.251 0.000 1.288 161 F CA -0.410 57.718 58.000 0.212 0.000 1.204 161 F CB 0.777 39.817 39.000 0.067 0.000 1.852 161 F HN 0.518 nan 8.300 nan 0.000 0.624 162 A N 1.907 124.974 122.820 0.412 0.000 2.299 162 A HA 0.332 4.672 4.320 0.034 0.000 0.332 162 A C 0.804 178.559 177.584 0.285 0.000 1.131 162 A CA -0.292 51.968 52.037 0.371 0.000 0.844 162 A CB 0.875 20.086 19.000 0.351 0.000 1.251 162 A HN 0.640 nan 8.150 nan 0.000 0.486 163 D N -0.403 120.152 120.400 0.258 0.000 2.158 163 D HA -0.170 4.491 4.640 0.034 0.000 0.197 163 D C 1.070 177.480 176.300 0.183 0.000 0.995 163 D CA 2.095 56.219 54.000 0.207 0.000 0.846 163 D CB 0.199 41.096 40.800 0.161 0.000 0.941 163 D HN 0.586 nan 8.370 nan 0.000 0.456 164 Q N -1.573 118.362 119.800 0.227 0.000 2.141 164 Q HA 0.219 4.580 4.340 0.034 0.000 0.248 164 Q C -1.023 175.187 176.000 0.350 0.000 0.834 164 Q CA -0.341 55.622 55.803 0.266 0.000 1.096 164 Q CB 1.052 29.941 28.738 0.251 0.000 1.189 164 Q HN 0.182 nan 8.270 nan 0.000 0.471 165 F N 1.111 121.123 119.950 0.102 0.000 3.055 165 F HA 0.343 4.890 4.527 0.034 0.000 0.358 165 F C -2.246 173.560 175.800 0.010 0.000 1.262 165 F CA -0.796 57.241 58.000 0.062 0.000 1.172 165 F CB 0.992 40.080 39.000 0.147 0.000 1.503 165 F HN -0.157 nan 8.300 nan 0.000 0.621 166 L N 5.144 126.109 121.223 -0.430 0.000 2.386 166 L HA 0.690 5.050 4.340 0.034 0.000 0.271 166 L C -0.767 175.862 176.870 -0.402 0.000 0.993 166 L CA -0.463 54.153 54.840 -0.375 0.000 0.819 166 L CB 2.120 43.887 42.059 -0.486 0.000 1.294 166 L HN 0.617 nan 8.230 nan 0.000 0.414 167 Q N 2.627 122.315 119.800 -0.187 0.000 2.309 167 Q HA 0.785 5.145 4.340 0.034 0.000 0.273 167 Q C -2.145 173.911 176.000 0.093 0.000 1.040 167 Q CA -0.706 55.047 55.803 -0.083 0.000 0.834 167 Q CB 2.849 31.519 28.738 -0.112 0.000 1.345 167 Q HN 0.584 nan 8.270 nan 0.000 0.414 168 L N 1.389 122.724 121.223 0.187 0.000 2.472 168 L HA 0.655 5.015 4.340 0.034 0.000 0.260 168 L C -1.511 175.468 176.870 0.182 0.000 0.963 168 L CA -0.037 54.936 54.840 0.221 0.000 0.829 168 L CB 2.728 44.993 42.059 0.345 0.000 1.348 168 L HN 0.675 nan 8.230 nan 0.000 0.408 169 S N 0.941 116.679 115.700 0.064 0.000 2.664 169 S HA 0.840 5.330 4.470 0.034 0.000 0.304 169 S C -0.879 173.591 174.600 -0.217 0.000 1.099 169 S CA -0.561 57.620 58.200 -0.032 0.000 1.003 169 S CB 1.878 65.059 63.200 -0.032 0.000 1.092 169 S HN 0.703 nan 8.310 nan 0.000 0.525 170 T N 1.097 115.467 114.554 -0.307 0.000 2.916 170 T HA 0.417 4.787 4.350 0.034 0.000 0.298 170 T C -0.622 173.898 174.700 -0.301 0.000 1.031 170 T CA -0.730 61.055 62.100 -0.525 0.000 0.993 170 T CB 0.639 68.871 68.868 -1.060 0.000 1.045 170 T HN 0.525 nan 8.240 nan 0.000 0.454 171 R N 2.603 122.951 120.500 -0.254 0.000 2.784 171 R HA 0.511 4.871 4.340 0.034 0.000 0.266 171 R C -0.381 175.848 176.300 -0.119 0.000 1.044 171 R CA -0.157 55.843 56.100 -0.167 0.000 1.151 171 R CB 0.378 30.598 30.300 -0.134 0.000 1.037 171 R HN 0.506 nan 8.270 nan 0.000 0.478 172 L N 2.171 123.352 121.223 -0.070 0.000 2.370 172 L HA 0.365 4.725 4.340 0.034 0.000 0.266 172 L C -1.600 175.285 176.870 0.024 0.000 1.002 172 L CA -1.910 52.952 54.840 0.036 0.000 0.818 172 L CB 2.550 44.606 42.059 -0.004 0.000 1.325 172 L HN 0.515 nan 8.230 nan 0.000 0.418 173 P HA 0.027 nan 4.420 nan 0.000 0.245 173 P C -0.072 177.251 177.300 0.040 0.000 1.206 173 P CA 0.415 63.545 63.100 0.049 0.000 0.781 173 P CB 0.573 32.310 31.700 0.062 0.000 0.994 174 S N -1.957 113.760 115.700 0.027 0.000 2.643 174 S HA 0.349 4.839 4.470 0.034 0.000 0.270 174 S C 0.382 174.944 174.600 -0.063 0.000 1.166 174 S CA -0.106 58.088 58.200 -0.009 0.000 0.815 174 S CB 0.683 63.867 63.200 -0.027 0.000 1.139 174 S HN -0.041 nan 8.310 nan 0.000 0.472 175 T N -1.217 113.296 114.554 -0.068 0.000 3.163 175 T HA 0.284 4.654 4.350 0.034 0.000 0.252 175 T C -0.165 174.422 174.700 -0.187 0.000 1.056 175 T CA -0.387 61.641 62.100 -0.120 0.000 0.947 175 T CB -0.840 67.984 68.868 -0.073 0.000 1.016 175 T HN 0.509 nan 8.240 nan 0.000 0.554 176 N N 2.291 120.867 118.700 -0.207 0.000 2.663 176 N HA 0.354 5.115 4.740 0.034 0.000 0.250 176 N C -1.135 174.015 175.510 -0.600 0.000 1.129 176 N CA -0.064 52.777 53.050 -0.349 0.000 0.995 176 N CB 1.319 39.659 38.487 -0.244 0.000 1.324 176 N HN 0.221 nan 8.380 nan 0.000 0.512 177 V N 2.832 122.205 119.914 -0.903 0.000 2.588 177 V HA 0.472 4.612 4.120 0.034 0.000 0.304 177 V C -1.024 174.510 176.094 -0.933 0.000 1.042 177 V CA -0.699 61.174 62.300 -0.712 0.000 0.877 177 V CB 1.073 32.573 31.823 -0.538 0.000 0.996 177 V HN 0.360 nan 8.190 nan 0.000 0.425 178 Y N 2.125 122.324 120.300 -0.168 0.000 2.492 178 Y HA 0.886 5.456 4.550 0.034 0.000 0.346 178 Y C 0.610 176.446 175.900 -0.106 0.000 0.997 178 Y CA 0.116 58.050 58.100 -0.277 0.000 1.025 178 Y CB 2.435 40.609 38.460 -0.476 0.000 1.263 178 Y HN 1.005 nan 8.280 nan 0.000 0.454 179 G N 1.011 109.897 108.800 0.144 0.000 2.306 179 G HA2 0.227 4.207 3.960 0.034 0.000 0.262 179 G HA3 0.227 4.207 3.960 0.034 0.000 0.262 179 G C -1.513 173.636 174.900 0.415 0.000 1.263 179 G CA -0.630 44.641 45.100 0.285 0.000 1.088 179 G HN 1.072 nan 8.290 nan 0.000 0.489 180 L N -1.876 119.629 121.223 0.471 0.000 0.588 180 L HA 0.240 4.600 4.340 0.034 0.000 0.356 180 L C 0.664 177.752 176.870 0.363 0.000 1.005 180 L CA 0.687 55.708 54.840 0.302 0.000 1.223 180 L CB -1.141 41.000 42.059 0.137 0.000 0.021 180 L HN 2.680 nan 8.230 nan 0.000 0.093 181 G N 0.969 109.735 108.800 -0.056 0.000 2.349 181 G HA2 0.454 4.434 3.960 0.034 0.000 0.294 181 G HA3 0.454 4.434 3.960 0.034 0.000 0.294 181 G C -2.003 172.559 174.900 -0.564 0.000 1.380 181 G CA -0.360 44.482 45.100 -0.430 0.000 0.811 181 G HN 0.788 nan 8.290 nan 0.000 0.519 182 E N 0.187 120.108 120.200 -0.465 0.000 2.200 182 E HA 0.554 4.924 4.350 0.034 0.000 0.283 182 E C -0.691 175.618 176.600 -0.485 0.000 1.015 182 E CA -0.613 55.622 56.400 -0.275 0.000 0.819 182 E CB 0.442 30.219 29.700 0.128 0.000 1.081 182 E HN 0.514 nan 8.360 nan 0.000 0.397 183 H N 1.608 120.609 119.070 -0.114 0.000 2.977 183 H HA 0.291 4.868 4.556 0.034 0.000 0.350 183 H C -1.004 174.108 175.328 -0.360 0.000 1.238 183 H CA -0.804 55.090 56.048 -0.257 0.000 1.124 183 H CB 1.498 30.963 29.762 -0.496 0.000 1.866 183 H HN 0.200 nan 8.280 nan 0.000 0.550 184 V N 2.260 122.111 119.914 -0.105 0.000 2.288 184 V HA 0.063 4.203 4.120 0.034 0.000 0.266 184 V C 0.700 176.647 176.094 -0.245 0.000 1.048 184 V CA -0.019 62.164 62.300 -0.194 0.000 0.842 184 V CB -0.212 31.499 31.823 -0.187 0.000 1.064 184 V HN 0.745 nan 8.190 nan 0.000 0.472 185 H N 2.687 121.632 119.070 -0.208 0.000 2.502 185 H HA -0.029 4.547 4.556 0.034 0.000 0.283 185 H C 1.464 176.667 175.328 -0.209 0.000 1.015 185 H CA 0.766 56.633 56.048 -0.302 0.000 1.298 185 H CB 0.233 29.689 29.762 -0.509 0.000 1.411 185 H HN 0.751 nan 8.280 nan 0.000 0.556 186 Q N -1.031 118.663 119.800 -0.176 0.000 2.963 186 Q HA -0.253 4.107 4.340 0.034 0.000 0.171 186 Q C 0.177 176.124 176.000 -0.088 0.000 1.703 186 Q CA 1.672 57.366 55.803 -0.182 0.000 1.023 186 Q CB -0.895 27.702 28.738 -0.235 0.000 0.933 186 Q HN 0.654 nan 8.270 nan 0.000 0.964 187 Q N -1.117 118.564 119.800 -0.198 0.000 2.445 187 Q HA 0.480 4.840 4.340 0.034 0.000 0.281 187 Q C 0.103 175.961 176.000 -0.235 0.000 1.101 187 Q CA -0.743 54.769 55.803 -0.485 0.000 0.833 187 Q CB 0.844 29.428 28.738 -0.256 0.000 1.416 187 Q HN 0.128 nan 8.270 nan 0.000 0.451 188 Y N 0.926 121.055 120.300 -0.285 0.000 2.266 188 Y HA 0.244 4.815 4.550 0.034 0.000 0.294 188 Y C 0.665 176.584 175.900 0.031 0.000 1.127 188 Y CA 0.409 58.503 58.100 -0.011 0.000 1.140 188 Y CB 0.540 39.111 38.460 0.184 0.000 1.071 188 Y HN 0.673 nan 8.280 nan 0.000 0.525 189 R N 1.558 122.064 120.500 0.008 0.000 2.370 189 R HA 0.046 4.406 4.340 0.034 0.000 0.309 189 R C -0.965 175.137 176.300 -0.330 0.000 1.059 189 R CA -0.147 55.810 56.100 -0.238 0.000 0.981 189 R CB -0.103 30.206 30.300 0.014 0.000 0.972 189 R HN 0.316 nan 8.270 nan 0.000 0.437 190 H N 1.948 120.743 119.070 -0.459 0.000 3.001 190 H HA -0.094 4.482 4.556 0.034 0.000 0.334 190 H C -0.366 174.836 175.328 -0.210 0.000 1.034 190 H CA 0.858 56.695 56.048 -0.353 0.000 1.420 190 H CB 0.461 29.960 29.762 -0.437 0.000 1.405 190 H HN 0.502 nan 8.280 nan 0.000 0.593 191 D N 3.808 124.198 120.400 -0.017 0.000 2.348 191 D HA -0.051 4.609 4.640 0.034 0.000 0.259 191 D C 0.379 176.678 176.300 -0.002 0.000 1.296 191 D CA -0.104 53.905 54.000 0.014 0.000 0.931 191 D CB 0.406 41.244 40.800 0.063 0.000 1.067 191 D HN 0.394 nan 8.370 nan 0.000 0.503 192 M N 2.134 121.681 119.600 -0.088 0.000 2.618 192 M HA 0.020 4.520 4.480 0.034 0.000 0.240 192 M C 0.179 176.329 176.300 -0.251 0.000 1.123 192 M CA 0.169 55.358 55.300 -0.185 0.000 1.060 192 M CB -1.072 31.396 32.600 -0.220 0.000 1.535 192 M HN 0.209 nan 8.290 nan 0.000 0.507 193 N N 0.543 119.152 118.700 -0.150 0.000 3.050 193 N HA 0.091 4.851 4.740 0.034 0.000 0.289 193 N C -1.258 174.254 175.510 0.003 0.000 1.209 193 N CA 0.077 53.045 53.050 -0.136 0.000 1.154 193 N CB -0.524 37.959 38.487 -0.006 0.000 1.444 193 N HN 0.178 nan 8.380 nan 0.000 0.529 194 W N 0.360 121.611 121.300 -0.081 0.000 4.599 194 W HA -0.259 4.421 4.660 0.034 0.000 0.437 194 W C -0.352 176.085 176.519 -0.136 0.000 1.771 194 W CA 0.025 57.309 57.345 -0.101 0.000 0.758 194 W CB -1.012 28.392 29.460 -0.093 0.000 2.910 194 W HN 0.090 nan 8.180 nan 0.000 0.944 195 K N 1.109 121.496 120.400 -0.022 0.000 2.378 195 K HA 0.667 5.007 4.320 0.034 0.000 0.252 195 K C -0.154 176.289 176.600 -0.263 0.000 0.931 195 K CA -0.917 55.255 56.287 -0.192 0.000 0.794 195 K CB 2.219 34.611 32.500 -0.181 0.000 1.181 195 K HN -0.099 nan 8.250 nan 0.000 0.425 196 T N 1.867 116.178 114.554 -0.405 0.000 2.792 196 T HA 0.401 4.771 4.350 0.034 0.000 0.280 196 T C -0.922 173.452 174.700 -0.543 0.000 0.990 196 T CA -0.558 61.353 62.100 -0.315 0.000 0.960 196 T CB 0.471 69.246 68.868 -0.155 0.000 0.939 196 T HN 0.355 nan 8.240 nan 0.000 0.439 197 W N 5.837 127.054 121.300 -0.139 0.000 2.296 197 W HA 0.380 5.060 4.660 0.034 0.000 0.316 197 W C -2.301 174.171 176.519 -0.077 0.000 1.022 197 W CA -2.349 54.850 57.345 -0.242 0.000 1.324 197 W CB 1.065 30.279 29.460 -0.411 0.000 1.227 197 W HN 0.378 nan 8.180 nan 0.000 0.409 198 P HA 0.345 nan 4.420 nan 0.000 0.278 198 P C -0.553 176.985 177.300 0.398 0.000 1.238 198 P CA -0.048 63.182 63.100 0.217 0.000 0.794 198 P CB 1.841 33.611 31.700 0.118 0.000 0.955 199 I N 3.105 123.867 120.570 0.320 0.000 2.468 199 I HA 0.436 4.627 4.170 0.034 0.000 0.284 199 I C -0.879 175.445 176.117 0.346 0.000 1.038 199 I CA -0.500 60.989 61.300 0.316 0.000 1.083 199 I CB 1.019 39.176 38.000 0.262 0.000 1.223 199 I HN 0.233 nan 8.210 nan 0.000 0.443 200 F N 5.746 125.765 119.950 0.114 0.000 2.767 200 F HA 0.343 4.890 4.527 0.034 0.000 0.341 200 F C -0.846 175.050 175.800 0.159 0.000 1.192 200 F CA -0.813 57.253 58.000 0.109 0.000 1.127 200 F CB 0.974 39.977 39.000 0.006 0.000 1.388 200 F HN 0.308 nan 8.300 nan 0.000 0.574 201 N N 4.434 123.053 118.700 -0.133 0.000 2.365 201 N HA 0.221 4.981 4.740 0.034 0.000 0.265 201 N C -0.571 174.942 175.510 0.004 0.000 1.288 201 N CA 0.367 53.387 53.050 -0.051 0.000 0.869 201 N CB 0.452 38.853 38.487 -0.142 0.000 1.071 201 N HN 0.602 nan 8.380 nan 0.000 0.480 202 R N 1.287 121.801 120.500 0.023 0.000 2.584 202 R HA 0.199 4.560 4.340 0.034 0.000 0.276 202 R C -1.734 174.559 176.300 -0.012 0.000 1.046 202 R CA -0.747 55.379 56.100 0.043 0.000 0.906 202 R CB 0.836 31.183 30.300 0.078 0.000 1.215 202 R HN 0.320 nan 8.270 nan 0.000 0.449 203 D N 2.965 123.422 120.400 0.094 0.000 2.367 203 D HA 0.191 4.851 4.640 0.034 0.000 0.255 203 D C -1.002 175.340 176.300 0.069 0.000 1.300 203 D CA 0.631 54.738 54.000 0.177 0.000 0.959 203 D CB 0.356 41.290 40.800 0.223 0.000 1.064 203 D HN 0.625 nan 8.370 nan 0.000 0.509 204 T N -0.409 114.086 114.554 -0.099 0.000 2.816 204 T HA 0.415 4.785 4.350 0.034 0.000 0.299 204 T C -0.140 174.540 174.700 -0.033 0.000 1.230 204 T CA -0.944 61.136 62.100 -0.032 0.000 1.007 204 T CB 1.081 69.924 68.868 -0.042 0.000 1.289 204 T HN 0.080 nan 8.240 nan 0.000 0.508 205 T N 3.874 118.479 114.554 0.084 0.000 2.834 205 T HA 0.390 4.760 4.350 0.034 0.000 0.298 205 T C -2.432 172.338 174.700 0.116 0.000 0.966 205 T CA -0.659 61.535 62.100 0.157 0.000 1.141 205 T CB 0.222 69.204 68.868 0.191 0.000 0.905 205 T HN 0.475 nan 8.240 nan 0.000 0.535 206 P HA 0.187 nan 4.420 nan 0.000 0.271 206 P C -0.574 176.868 177.300 0.238 0.000 1.380 206 P CA -0.370 62.828 63.100 0.164 0.000 0.992 206 P CB 0.014 31.850 31.700 0.228 0.000 1.230 207 N N 1.106 119.905 118.700 0.165 0.000 3.283 207 N HA 0.395 5.155 4.740 0.034 0.000 0.338 207 N C 1.043 176.536 175.510 -0.028 0.000 1.517 207 N CA -0.863 52.327 53.050 0.233 0.000 0.733 207 N CB -0.329 38.293 38.487 0.224 0.000 1.797 207 N HN 0.034 nan 8.380 nan 0.000 0.637 208 G N -1.466 107.359 108.800 0.041 0.000 3.026 208 G HA2 -0.097 3.884 3.960 0.034 0.000 0.208 208 G HA3 -0.097 3.884 3.960 0.034 0.000 0.208 208 G C 0.550 175.412 174.900 -0.063 0.000 1.169 208 G CA 0.045 45.053 45.100 -0.154 0.000 0.788 208 G HN 0.618 nan 8.290 nan 0.000 0.533 209 N N 0.623 119.316 118.700 -0.011 0.000 2.336 209 N HA 0.147 4.907 4.740 0.034 0.000 0.189 209 N C 1.647 177.144 175.510 -0.022 0.000 1.113 209 N CA 0.734 53.781 53.050 -0.005 0.000 0.858 209 N CB -0.037 38.462 38.487 0.019 0.000 0.970 209 N HN 0.223 nan 8.380 nan 0.000 0.471 210 G N 0.623 109.435 108.800 0.020 0.000 2.249 210 G HA2 -0.303 3.677 3.960 0.034 0.000 0.273 210 G HA3 -0.303 3.677 3.960 0.034 0.000 0.273 210 G C 0.303 175.285 174.900 0.138 0.000 1.036 210 G CA 0.929 46.106 45.100 0.128 0.000 0.824 210 G HN 0.594 nan 8.290 nan 0.000 0.504 211 T N -1.337 113.298 114.554 0.135 0.000 2.847 211 T HA 0.521 4.891 4.350 0.034 0.000 0.279 211 T C 0.815 175.674 174.700 0.265 0.000 0.984 211 T CA -0.073 62.106 62.100 0.132 0.000 0.988 211 T CB 1.027 69.934 68.868 0.066 0.000 1.040 211 T HN 0.743 nan 8.240 nan 0.000 0.528 212 N N 1.741 120.582 118.700 0.235 0.000 2.458 212 N HA 0.139 4.900 4.740 0.034 0.000 0.258 212 N C -0.331 175.220 175.510 0.069 0.000 1.219 212 N CA -0.163 53.031 53.050 0.241 0.000 0.902 212 N CB 0.419 39.044 38.487 0.230 0.000 1.076 212 N HN 0.695 nan 8.380 nan 0.000 0.455 213 L N 0.503 121.712 121.223 -0.023 0.000 2.606 213 L HA 0.316 4.676 4.340 0.034 0.000 0.255 213 L C 1.090 177.824 176.870 -0.228 0.000 1.501 213 L CA -0.971 53.704 54.840 -0.275 0.000 1.593 213 L CB -0.155 41.732 42.059 -0.287 0.000 2.049 213 L HN 0.346 nan 8.230 nan 0.000 0.576 214 Y N -0.049 120.276 120.300 0.042 0.000 2.373 214 Y HA 0.134 4.705 4.550 0.035 0.000 0.293 214 Y C 1.277 177.185 175.900 0.013 0.000 1.129 214 Y CA 0.453 58.564 58.100 0.018 0.000 1.226 214 Y CB -0.518 37.936 38.460 -0.009 0.000 1.000 214 Y HN 0.405 nan 8.280 nan 0.000 0.549 215 G N -0.773 108.123 108.800 0.160 0.000 2.568 215 G HA2 0.698 4.678 3.960 0.034 0.000 0.313 215 G HA3 0.698 4.678 3.960 0.034 0.000 0.313 215 G C -1.486 173.431 174.900 0.028 0.000 1.227 215 G CA -0.595 44.567 45.100 0.103 0.000 0.979 215 G HN 0.173 nan 8.290 nan 0.000 0.486 216 A N 0.615 123.449 122.820 0.024 0.000 2.340 216 A HA 0.707 5.048 4.320 0.034 0.000 0.297 216 A C -0.719 176.721 177.584 -0.240 0.000 1.195 216 A CA -0.545 51.486 52.037 -0.010 0.000 0.769 216 A CB 1.321 20.450 19.000 0.214 0.000 1.163 216 A HN 0.381 nan 8.150 nan 0.000 0.472 217 Q N 2.065 121.651 119.800 -0.356 0.000 2.414 217 Q HA 0.243 4.603 4.340 0.034 0.000 0.256 217 Q C 0.475 176.287 176.000 -0.314 0.000 0.974 217 Q CA -0.064 55.366 55.803 -0.622 0.000 0.723 217 Q CB 1.517 29.360 28.738 -1.491 0.000 1.281 217 Q HN 0.891 nan 8.270 nan 0.000 0.470 218 T N -1.420 113.101 114.554 -0.055 0.000 3.129 218 T HA 0.137 4.508 4.350 0.034 0.000 0.251 218 T C 0.549 175.452 174.700 0.339 0.000 1.117 218 T CA -0.151 62.054 62.100 0.176 0.000 1.034 218 T CB -0.103 68.824 68.868 0.099 0.000 0.968 218 T HN 0.293 nan 8.240 nan 0.000 0.526 219 F N 3.542 123.548 119.950 0.093 0.000 2.484 219 F HA 0.484 5.032 4.527 0.034 0.000 0.360 219 F C -0.492 175.431 175.800 0.205 0.000 1.101 219 F CA -2.091 55.923 58.000 0.024 0.000 1.251 219 F CB 0.295 38.958 39.000 -0.561 0.000 1.132 219 F HN 0.260 nan 8.300 nan 0.000 0.570 220 F N 5.956 125.379 119.950 -0.879 0.000 2.613 220 F HA 0.726 5.273 4.527 0.034 0.000 0.314 220 F C -2.185 172.921 175.800 -1.157 0.000 1.075 220 F CA -1.536 55.973 58.000 -0.819 0.000 0.945 220 F CB 1.136 39.884 39.000 -0.420 0.000 1.310 220 F HN 0.533 nan 8.300 nan 0.000 0.467 221 L N 3.094 124.002 121.223 -0.524 0.000 2.346 221 L HA 0.747 5.108 4.340 0.034 0.000 0.274 221 L C -1.510 175.279 176.870 -0.136 0.000 1.007 221 L CA -0.592 53.999 54.840 -0.415 0.000 0.818 221 L CB 1.690 43.693 42.059 -0.093 0.000 1.284 221 L HN 1.103 nan 8.230 nan 0.000 0.424 222 C N 5.660 124.742 119.300 -0.363 0.000 2.369 222 C HA 0.576 5.056 4.460 0.034 0.000 0.322 222 C C -0.557 174.357 174.990 -0.128 0.000 1.258 222 C CA -0.892 57.978 59.018 -0.245 0.000 1.487 222 C CB 0.949 28.436 27.740 -0.422 0.000 2.165 222 C HN 0.771 nan 8.230 nan 0.000 0.483 223 L N 6.209 127.403 121.223 -0.048 0.000 2.261 223 L HA 0.459 4.819 4.340 0.034 0.000 0.289 223 L C 0.951 177.731 176.870 -0.150 0.000 1.059 223 L CA 0.758 55.523 54.840 -0.125 0.000 0.816 223 L CB 0.542 42.469 42.059 -0.220 0.000 1.191 223 L HN 0.850 nan 8.230 nan 0.000 0.431 224 E N 2.120 122.295 120.200 -0.042 0.000 2.107 224 E HA -0.018 4.352 4.350 0.034 0.000 0.191 224 E C -0.478 176.101 176.600 -0.034 0.000 0.982 224 E CA 1.398 57.812 56.400 0.023 0.000 0.809 224 E CB 0.176 29.934 29.700 0.096 0.000 0.756 224 E HN 0.922 nan 8.360 nan 0.000 0.459 225 D N -2.839 117.529 120.400 -0.054 0.000 2.713 225 D HA 0.267 4.928 4.640 0.034 0.000 0.306 225 D C -0.280 176.122 176.300 0.169 0.000 1.299 225 D CA -0.251 53.787 54.000 0.064 0.000 0.823 225 D CB 0.224 41.102 40.800 0.131 0.000 1.353 225 D HN -0.105 nan 8.370 nan 0.000 0.447 226 A N -0.308 122.776 122.820 0.441 0.000 2.216 226 A HA 0.066 4.407 4.320 0.034 0.000 0.214 226 A C 1.775 179.615 177.584 0.427 0.000 1.160 226 A CA 1.511 53.897 52.037 0.582 0.000 0.725 226 A CB -1.062 18.255 19.000 0.527 0.000 0.784 226 A HN 0.657 nan 8.150 nan 0.000 0.472 227 S N -1.963 113.897 115.700 0.268 0.000 2.481 227 S HA 0.294 4.784 4.470 0.034 0.000 0.231 227 S C 1.585 176.270 174.600 0.142 0.000 0.996 227 S CA 1.266 59.597 58.200 0.218 0.000 0.942 227 S CB -0.276 63.003 63.200 0.131 0.000 0.768 227 S HN 1.778 nan 8.310 nan 0.000 0.520 228 G N 0.675 109.464 108.800 -0.019 0.000 2.232 228 G HA2 -0.204 3.777 3.960 0.034 0.000 0.226 228 G HA3 -0.204 3.777 3.960 0.034 0.000 0.226 228 G C 0.008 174.694 174.900 -0.357 0.000 0.996 228 G CA -0.081 44.656 45.100 -0.604 0.000 0.626 228 G HN 0.518 nan 8.290 nan 0.000 0.509 229 L N 1.832 122.974 121.223 -0.134 0.000 2.540 229 L HA 0.442 4.802 4.340 0.034 0.000 0.276 229 L C 0.540 177.392 176.870 -0.030 0.000 1.212 229 L CA 0.601 55.409 54.840 -0.053 0.000 0.893 229 L CB 0.776 42.843 42.059 0.014 0.000 1.138 229 L HN 0.255 nan 8.230 nan 0.000 0.491 230 S N 2.216 117.926 115.700 0.018 0.000 2.607 230 S HA 0.803 5.293 4.470 0.034 0.000 0.273 230 S C -0.869 173.863 174.600 0.220 0.000 1.148 230 S CA -0.662 57.575 58.200 0.062 0.000 0.833 230 S CB 2.223 65.379 63.200 -0.074 0.000 1.130 230 S HN 0.497 nan 8.310 nan 0.000 0.470 231 F N -1.274 118.688 119.950 0.021 0.000 2.715 231 F HA 0.991 5.539 4.527 0.034 0.000 0.318 231 F C -0.181 175.636 175.800 0.028 0.000 1.141 231 F CA -0.812 57.226 58.000 0.064 0.000 0.950 231 F CB 1.006 40.045 39.000 0.065 0.000 1.374 231 F HN 0.810 nan 8.300 nan 0.000 0.477 232 G N 0.111 108.908 108.800 -0.004 0.000 2.695 232 G HA2 0.651 4.631 3.960 0.034 0.000 0.290 232 G HA3 0.651 4.631 3.960 0.034 0.000 0.290 232 G C -2.475 172.391 174.900 -0.056 0.000 1.410 232 G CA -1.114 43.793 45.100 -0.321 0.000 0.844 232 G HN 0.796 nan 8.290 nan 0.000 0.478 233 V N 0.275 119.906 119.914 -0.472 0.000 2.760 233 V HA 0.697 4.838 4.120 0.034 0.000 0.309 233 V C -1.555 174.664 176.094 0.209 0.000 1.077 233 V CA -0.673 61.581 62.300 -0.077 0.000 0.910 233 V CB 1.857 33.635 31.823 -0.076 0.000 1.008 233 V HN 0.791 nan 8.190 nan 0.000 0.424 234 F N 5.545 125.647 119.950 0.254 0.000 2.547 234 F HA 0.810 5.357 4.527 0.034 0.000 0.316 234 F C -1.326 174.504 175.800 0.050 0.000 1.121 234 F CA -1.175 56.978 58.000 0.256 0.000 0.911 234 F CB 1.856 41.142 39.000 0.478 0.000 1.179 234 F HN 0.418 nan 8.300 nan 0.000 0.443 235 L N 7.607 128.251 121.223 -0.966 0.000 2.280 235 L HA 0.545 4.905 4.340 0.034 0.000 0.287 235 L C -0.726 175.301 176.870 -1.406 0.000 1.023 235 L CA -0.667 53.408 54.840 -1.276 0.000 0.819 235 L CB 1.242 42.510 42.059 -1.318 0.000 1.212 235 L HN 0.768 nan 8.230 nan 0.000 0.420 236 M N 6.336 125.302 119.600 -1.057 0.000 2.775 236 M HA 0.375 4.876 4.480 0.034 0.000 0.313 236 M C -1.031 175.107 176.300 -0.271 0.000 1.429 236 M CA 0.567 55.551 55.300 -0.526 0.000 1.494 236 M CB -0.978 31.548 32.600 -0.123 0.000 1.274 236 M HN 0.658 nan 8.290 nan 0.000 0.491 237 N N 1.331 119.960 118.700 -0.117 0.000 2.493 237 N HA 0.206 4.966 4.740 0.034 0.000 0.279 237 N C -0.841 174.790 175.510 0.201 0.000 1.082 237 N CA 0.082 53.125 53.050 -0.010 0.000 0.963 237 N CB 1.571 39.956 38.487 -0.170 0.000 1.627 237 N HN 0.521 nan 8.380 nan 0.000 0.499 238 S N 1.300 117.122 115.700 0.203 0.000 2.568 238 S HA 0.247 4.737 4.470 0.034 0.000 0.232 238 S C 0.283 174.953 174.600 0.116 0.000 0.975 238 S CA -0.594 57.702 58.200 0.160 0.000 0.949 238 S CB -0.180 62.957 63.200 -0.105 0.000 0.829 238 S HN 0.487 nan 8.310 nan 0.000 0.479 239 N N 2.105 120.851 118.700 0.078 0.000 2.445 239 N HA 0.437 5.198 4.740 0.034 0.000 0.264 239 N C 0.093 175.646 175.510 0.072 0.000 1.227 239 N CA 0.043 53.083 53.050 -0.016 0.000 0.963 239 N CB 0.816 39.242 38.487 -0.102 0.000 1.188 239 N HN 0.417 nan 8.380 nan 0.000 0.491 240 A N 1.202 124.031 122.820 0.016 0.000 2.565 240 A HA 0.248 4.588 4.320 0.034 0.000 0.237 240 A C 0.406 177.998 177.584 0.012 0.000 1.053 240 A CA 0.506 52.560 52.037 0.029 0.000 0.755 240 A CB -0.331 18.386 19.000 -0.472 0.000 0.980 240 A HN 0.758 nan 8.150 nan 0.000 0.506 241 M N 0.970 120.624 119.600 0.091 0.000 2.924 241 M HA 0.811 5.311 4.480 0.034 0.000 0.271 241 M C -1.055 175.325 176.300 0.132 0.000 1.280 241 M CA -0.760 54.598 55.300 0.097 0.000 0.813 241 M CB 1.901 34.571 32.600 0.115 0.000 1.658 241 M HN 0.737 nan 8.290 nan 0.000 0.467 242 E N 0.322 120.601 120.200 0.132 0.000 2.413 242 E HA 0.735 5.105 4.350 0.034 0.000 0.277 242 E C -1.818 174.830 176.600 0.079 0.000 0.958 242 E CA -1.137 55.340 56.400 0.129 0.000 0.779 242 E CB 2.838 32.606 29.700 0.113 0.000 1.278 242 E HN 0.531 nan 8.360 nan 0.000 0.456 243 V N 1.426 121.368 119.914 0.047 0.000 2.540 243 V HA 0.370 4.510 4.120 0.034 0.000 0.302 243 V C -0.653 175.393 176.094 -0.081 0.000 1.035 243 V CA -0.814 61.423 62.300 -0.106 0.000 0.873 243 V CB 1.718 33.425 31.823 -0.193 0.000 0.992 243 V HN 0.581 nan 8.190 nan 0.000 0.428 244 V N 6.343 126.178 119.914 -0.132 0.000 2.384 244 V HA 0.499 4.639 4.120 0.034 0.000 0.287 244 V C -0.253 175.741 176.094 -0.166 0.000 1.020 244 V CA -0.459 61.786 62.300 -0.092 0.000 0.850 244 V CB 1.534 33.348 31.823 -0.015 0.000 0.987 244 V HN 0.633 nan 8.190 nan 0.000 0.436 245 L N 5.992 127.114 121.223 -0.168 0.000 2.317 245 L HA 0.729 5.090 4.340 0.034 0.000 0.281 245 L C -0.040 176.639 176.870 -0.318 0.000 1.024 245 L CA -0.360 54.325 54.840 -0.258 0.000 0.810 245 L CB 1.577 43.504 42.059 -0.221 0.000 1.240 245 L HN 0.809 nan 8.230 nan 0.000 0.427 246 Q N 2.671 122.196 119.800 -0.458 0.000 2.501 246 Q HA 0.473 4.833 4.340 0.034 0.000 0.288 246 Q C -2.679 172.894 176.000 -0.712 0.000 1.051 246 Q CA -1.971 53.328 55.803 -0.839 0.000 0.788 246 Q CB 2.666 30.735 28.738 -1.114 0.000 1.469 246 Q HN 0.197 nan 8.270 nan 0.000 0.416 247 P HA 0.060 nan 4.420 nan 0.000 0.249 247 P C 0.803 177.916 177.300 -0.313 0.000 1.241 247 P CA 0.849 63.670 63.100 -0.465 0.000 0.781 247 P CB -0.005 31.470 31.700 -0.376 0.000 1.088 248 A N 1.160 123.786 122.820 -0.324 0.000 1.915 248 A HA -0.122 4.218 4.320 0.034 0.000 0.220 248 A C -0.742 176.755 177.584 -0.145 0.000 1.198 248 A CA 1.357 53.277 52.037 -0.196 0.000 0.647 248 A CB -2.459 16.432 19.000 -0.181 0.000 0.825 248 A HN 0.302 nan 8.150 nan 0.000 0.456 249 P HA 0.572 nan 4.420 nan 0.000 0.282 249 P C -0.761 176.413 177.300 -0.210 0.000 1.249 249 P CA 0.179 63.152 63.100 -0.211 0.000 0.806 249 P CB 1.573 33.163 31.700 -0.183 0.000 0.984 250 A N 2.535 125.196 122.820 -0.264 0.000 2.606 250 A HA 0.744 5.084 4.320 0.034 0.000 0.293 250 A C -1.495 175.913 177.584 -0.294 0.000 1.082 250 A CA -0.730 51.160 52.037 -0.244 0.000 0.685 250 A CB 1.358 20.237 19.000 -0.202 0.000 1.284 250 A HN 0.612 nan 8.150 nan 0.000 0.408 251 I N 0.404 120.801 120.570 -0.288 0.000 2.647 251 I HA 0.733 4.923 4.170 0.034 0.000 0.295 251 I C -1.048 174.933 176.117 -0.228 0.000 1.078 251 I CA -0.135 60.960 61.300 -0.341 0.000 1.048 251 I CB 2.371 40.042 38.000 -0.548 0.000 1.239 251 I HN 0.587 nan 8.210 nan 0.000 0.421 252 T N 5.953 120.382 114.554 -0.208 0.000 2.824 252 T HA 0.480 4.851 4.350 0.034 0.000 0.282 252 T C -1.217 173.416 174.700 -0.111 0.000 0.993 252 T CA -0.150 61.906 62.100 -0.074 0.000 0.967 252 T CB 0.805 69.667 68.868 -0.010 0.000 0.960 252 T HN 0.322 nan 8.240 nan 0.000 0.441 253 Y N 1.989 122.338 120.300 0.083 0.000 2.320 253 Y HA 0.575 5.145 4.550 0.034 0.000 0.334 253 Y C 0.811 176.708 175.900 -0.006 0.000 1.055 253 Y CA -0.784 57.370 58.100 0.089 0.000 1.143 253 Y CB 1.188 39.777 38.460 0.215 0.000 1.193 253 Y HN 0.342 nan 8.280 nan 0.000 0.477 254 R N 2.324 122.866 120.500 0.070 0.000 2.507 254 R HA 0.388 4.748 4.340 0.034 0.000 0.298 254 R C -1.257 174.962 176.300 -0.135 0.000 1.087 254 R CA -0.190 55.812 56.100 -0.163 0.000 0.917 254 R CB 1.264 31.469 30.300 -0.158 0.000 1.173 254 R HN 0.767 nan 8.270 nan 0.000 0.472 255 T N 2.868 117.293 114.554 -0.214 0.000 2.930 255 T HA 0.431 4.801 4.350 0.034 0.000 0.290 255 T C 0.767 175.379 174.700 -0.146 0.000 1.052 255 T CA -0.827 61.201 62.100 -0.121 0.000 1.017 255 T CB 1.016 69.830 68.868 -0.089 0.000 1.137 255 T HN 0.638 nan 8.240 nan 0.000 0.511 256 I N -0.086 120.461 120.570 -0.039 0.000 3.927 256 I HA 0.703 4.893 4.170 0.034 0.000 0.332 256 I C 0.491 176.697 176.117 0.148 0.000 1.485 256 I CA -0.529 60.818 61.300 0.077 0.000 1.131 256 I CB -0.018 38.064 38.000 0.136 0.000 1.092 256 I HN 0.639 nan 8.210 nan 0.000 0.410 257 G N -0.402 108.434 108.800 0.059 0.000 2.490 257 G HA2 0.527 4.508 3.960 0.034 0.000 0.308 257 G HA3 0.527 4.508 3.960 0.034 0.000 0.308 257 G C -0.159 174.781 174.900 0.066 0.000 1.286 257 G CA -0.063 45.127 45.100 0.151 0.000 0.825 257 G HN 0.661 nan 8.290 nan 0.000 0.479 258 G N -0.861 108.033 108.800 0.157 0.000 2.552 258 G HA2 0.217 4.197 3.960 0.034 0.000 0.265 258 G HA3 0.217 4.197 3.960 0.034 0.000 0.265 258 G C 0.267 175.177 174.900 0.017 0.000 1.234 258 G CA 1.085 46.291 45.100 0.177 0.000 0.944 258 G HN 2.138 nan 8.290 nan 0.000 0.568 259 I N -2.944 117.602 120.570 -0.040 0.000 3.239 259 I HA 0.789 4.979 4.170 0.034 0.000 0.314 259 I C -0.090 175.903 176.117 -0.207 0.000 1.126 259 I CA -1.516 59.731 61.300 -0.087 0.000 0.973 259 I CB 2.042 40.054 38.000 0.020 0.000 1.252 259 I HN 0.516 nan 8.210 nan 0.000 0.463 260 L N 2.547 123.660 121.223 -0.182 0.000 2.288 260 L HA 0.360 4.721 4.340 0.034 0.000 0.283 260 L C -0.914 175.731 176.870 -0.374 0.000 1.072 260 L CA 0.030 54.697 54.840 -0.288 0.000 0.862 260 L CB 0.050 42.104 42.059 -0.008 0.000 1.245 260 L HN 0.546 nan 8.230 nan 0.000 0.432 261 D N 3.532 123.581 120.400 -0.585 0.000 2.460 261 D HA 0.327 4.987 4.640 0.034 0.000 0.232 261 D C -0.969 174.858 176.300 -0.788 0.000 1.079 261 D CA -0.169 53.507 54.000 -0.539 0.000 0.864 261 D CB 0.606 41.222 40.800 -0.306 0.000 1.048 261 D HN -0.002 nan 8.370 nan 0.000 0.523 262 F N 2.665 122.046 119.950 -0.949 0.000 2.480 262 F HA 0.466 5.013 4.527 0.034 0.000 0.329 262 F C -0.347 174.868 175.800 -0.976 0.000 1.091 262 F CA -0.660 56.737 58.000 -1.005 0.000 0.972 262 F CB 1.385 39.478 39.000 -1.511 0.000 1.150 262 F HN 0.192 nan 8.300 nan 0.000 0.467 263 Y N 1.236 121.375 120.300 -0.268 0.000 2.409 263 Y HA 0.687 5.257 4.550 0.034 0.000 0.343 263 Y C -0.705 174.885 175.900 -0.516 0.000 0.973 263 Y CA -1.136 56.712 58.100 -0.420 0.000 1.064 263 Y CB 2.006 40.212 38.460 -0.423 0.000 1.207 263 Y HN 0.176 nan 8.280 nan 0.000 0.452 264 V N 4.286 123.942 119.914 -0.430 0.000 2.588 264 V HA 0.477 4.617 4.120 0.034 0.000 0.304 264 V C -1.074 174.807 176.094 -0.356 0.000 1.042 264 V CA -1.107 61.035 62.300 -0.264 0.000 0.877 264 V CB 1.334 33.120 31.823 -0.062 0.000 0.996 264 V HN 0.499 nan 8.190 nan 0.000 0.425 265 F N 4.753 124.832 119.950 0.214 0.000 2.520 265 F HA 0.775 5.322 4.527 0.034 0.000 0.322 265 F C -0.380 175.545 175.800 0.209 0.000 1.103 265 F CA -0.823 57.291 58.000 0.189 0.000 0.926 265 F CB 1.693 40.819 39.000 0.209 0.000 1.154 265 F HN 0.180 nan 8.300 nan 0.000 0.453 266 L N 1.805 123.235 121.223 0.346 0.000 2.342 266 L HA 0.941 5.301 4.340 0.034 0.000 0.271 266 L C 0.158 177.158 176.870 0.217 0.000 1.008 266 L CA -0.298 54.711 54.840 0.280 0.000 0.818 266 L CB 2.100 44.301 42.059 0.236 0.000 1.296 266 L HN 0.784 nan 8.230 nan 0.000 0.427 267 G N 0.212 109.106 108.800 0.157 0.000 2.690 267 G HA2 0.290 4.270 3.960 0.034 0.000 0.291 267 G HA3 0.290 4.270 3.960 0.034 0.000 0.291 267 G C -0.209 174.712 174.900 0.036 0.000 1.403 267 G CA -0.477 44.673 45.100 0.084 0.000 0.864 267 G HN 0.425 nan 8.290 nan 0.000 0.480 268 N N -0.508 118.195 118.700 0.005 0.000 2.463 268 N HA 0.079 4.839 4.740 0.034 0.000 0.181 268 N C 0.747 176.174 175.510 -0.138 0.000 1.078 268 N CA 1.157 54.187 53.050 -0.033 0.000 0.902 268 N CB 0.454 38.939 38.487 -0.003 0.000 0.970 268 N HN 0.787 nan 8.380 nan 0.000 0.451 269 T N -4.238 110.217 114.554 -0.165 0.000 2.843 269 T HA 0.361 4.732 4.350 0.034 0.000 0.302 269 T C -2.497 172.045 174.700 -0.263 0.000 1.232 269 T CA -1.574 60.329 62.100 -0.328 0.000 1.009 269 T CB 2.507 71.243 68.868 -0.219 0.000 1.254 269 T HN -0.361 nan 8.240 nan 0.000 0.504 270 P HA -0.095 nan 4.420 nan 0.000 0.216 270 P C 1.528 178.597 177.300 -0.385 0.000 1.153 270 P CA 1.051 63.869 63.100 -0.471 0.000 0.858 270 P CB 0.113 31.265 31.700 -0.913 0.000 0.789 271 E N -0.180 119.859 120.200 -0.268 0.000 2.118 271 E HA -0.221 4.149 4.350 0.034 0.000 0.195 271 E C 2.071 178.643 176.600 -0.048 0.000 0.992 271 E CA 1.246 57.612 56.400 -0.056 0.000 0.804 271 E CB -0.507 29.213 29.700 0.033 0.000 0.741 271 E HN 0.476 nan 8.360 nan 0.000 0.458 272 Q N 0.112 119.880 119.800 -0.055 0.000 2.167 272 Q HA -0.082 4.279 4.340 0.034 0.000 0.202 272 Q C 2.360 178.352 176.000 -0.014 0.000 0.970 272 Q CA 0.907 56.694 55.803 -0.026 0.000 0.855 272 Q CB 0.110 28.843 28.738 -0.009 0.000 0.911 272 Q HN 0.104 nan 8.270 nan 0.000 0.438 273 V N 0.091 120.001 119.914 -0.007 0.000 2.295 273 V HA -0.240 3.900 4.120 0.034 0.000 0.246 273 V C 2.231 178.318 176.094 -0.011 0.000 1.049 273 V CA 1.458 63.786 62.300 0.048 0.000 1.024 273 V CB -0.496 31.378 31.823 0.085 0.000 0.648 273 V HN 0.183 nan 8.190 nan 0.000 0.447 274 V N -0.268 119.644 119.914 -0.004 0.000 2.332 274 V HA -0.361 3.779 4.120 0.034 0.000 0.248 274 V C 2.475 178.462 176.094 -0.178 0.000 1.055 274 V CA 2.251 64.510 62.300 -0.068 0.000 1.038 274 V CB -0.835 31.000 31.823 0.019 0.000 0.651 274 V HN 0.597 nan 8.190 nan 0.000 0.450 275 Q N -0.633 119.086 119.800 -0.135 0.000 2.084 275 Q HA -0.208 4.152 4.340 0.034 0.000 0.202 275 Q C 2.373 178.251 176.000 -0.203 0.000 0.978 275 Q CA 1.522 57.227 55.803 -0.163 0.000 0.844 275 Q CB -0.201 28.474 28.738 -0.105 0.000 0.898 275 Q HN 0.618 nan 8.270 nan 0.000 0.426 276 E N 0.088 120.185 120.200 -0.172 0.000 2.077 276 E HA -0.197 4.173 4.350 0.034 0.000 0.193 276 E C 1.798 178.082 176.600 -0.526 0.000 0.989 276 E CA 0.980 57.275 56.400 -0.174 0.000 0.800 276 E CB -0.372 29.350 29.700 0.037 0.000 0.746 276 E HN 0.414 nan 8.360 nan 0.000 0.452 277 Y N 1.679 121.328 120.300 -1.085 0.000 2.128 277 Y HA -0.172 4.398 4.550 0.034 0.000 0.284 277 Y C 2.169 177.539 175.900 -0.882 0.000 1.154 277 Y CA 1.395 58.571 58.100 -1.541 0.000 1.149 277 Y CB -0.499 36.961 38.460 -1.668 0.000 0.976 277 Y HN -0.071 nan 8.280 nan 0.000 0.505 278 L N 0.052 120.800 121.223 -0.791 0.000 2.217 278 L HA -0.123 4.237 4.340 0.034 0.000 0.211 278 L C 2.379 178.939 176.870 -0.518 0.000 1.107 278 L CA 1.505 55.912 54.840 -0.722 0.000 0.783 278 L CB -0.617 41.150 42.059 -0.487 0.000 0.919 278 L HN 0.196 nan 8.230 nan 0.000 0.442 279 E N 1.158 121.133 120.200 -0.374 0.000 2.110 279 E HA -0.251 4.120 4.350 0.034 0.000 0.193 279 E C 1.990 178.481 176.600 -0.182 0.000 0.988 279 E CA 1.345 57.615 56.400 -0.216 0.000 0.804 279 E CB -0.179 29.446 29.700 -0.125 0.000 0.745 279 E HN 0.333 nan 8.360 nan 0.000 0.458 280 L N 0.161 121.217 121.223 -0.279 0.000 2.007 280 L HA 0.016 4.376 4.340 0.034 0.000 0.205 280 L C 2.086 178.779 176.870 -0.295 0.000 1.073 280 L CA 1.857 56.550 54.840 -0.245 0.000 0.744 280 L CB -0.437 41.480 42.059 -0.236 0.000 0.898 280 L HN 0.375 nan 8.230 nan 0.000 0.435 281 I N -1.286 118.910 120.570 -0.622 0.000 3.728 281 I HA 0.508 4.698 4.170 0.034 0.000 0.307 281 I C 0.744 176.572 176.117 -0.482 0.000 1.276 281 I CA 0.263 61.206 61.300 -0.596 0.000 1.285 281 I CB -0.629 36.786 38.000 -0.976 0.000 1.038 281 I HN 0.267 nan 8.210 nan 0.000 0.445 282 G N 1.337 109.724 108.800 -0.689 0.000 3.187 282 G HA2 -0.044 3.936 3.960 0.034 0.000 0.682 282 G HA3 -0.044 3.936 3.960 0.034 0.000 0.682 282 G C -0.637 173.895 174.900 -0.613 0.000 1.266 282 G CA -1.110 43.392 45.100 -0.996 0.000 0.902 282 G HN 0.280 nan 8.290 nan 0.000 0.589 283 R N 3.182 123.380 120.500 -0.503 0.000 2.582 283 R HA 0.456 4.816 4.340 0.034 0.000 0.271 283 R C -1.783 174.349 176.300 -0.280 0.000 1.078 283 R CA -1.177 54.703 56.100 -0.366 0.000 1.127 283 R CB 0.768 30.861 30.300 -0.346 0.000 1.038 283 R HN 0.432 nan 8.270 nan 0.000 0.500 284 P HA 0.003 nan 4.420 nan 0.000 0.269 284 P C -0.793 176.513 177.300 0.010 0.000 1.215 284 P CA -0.125 62.916 63.100 -0.098 0.000 0.780 284 P CB 0.596 32.280 31.700 -0.028 0.000 0.898 285 A N 2.800 125.577 122.820 -0.073 0.000 2.520 285 A HA 0.118 4.458 4.320 0.034 0.000 0.235 285 A C 0.143 177.595 177.584 -0.219 0.000 1.065 285 A CA -0.210 51.762 52.037 -0.108 0.000 0.764 285 A CB -0.476 18.425 19.000 -0.164 0.000 1.002 285 A HN 0.589 nan 8.150 nan 0.000 0.502 286 L N 3.910 124.781 121.223 -0.587 0.000 2.360 286 L HA 0.390 4.750 4.340 0.034 0.000 0.276 286 L C -2.072 174.594 176.870 -0.340 0.000 1.121 286 L CA -1.358 53.160 54.840 -0.535 0.000 0.845 286 L CB 0.309 41.917 42.059 -0.750 0.000 1.143 286 L HN 0.417 nan 8.230 nan 0.000 0.452 287 P HA 0.186 nan 4.420 nan 0.000 0.272 287 P C -0.767 176.361 177.300 -0.287 0.000 1.230 287 P CA -0.341 62.543 63.100 -0.360 0.000 0.788 287 P CB 0.555 31.906 31.700 -0.581 0.000 0.949 288 S N 0.818 116.263 115.700 -0.424 0.000 2.558 288 S HA -0.062 4.428 4.470 0.034 0.000 0.288 288 S C 0.885 175.194 174.600 -0.484 0.000 1.318 288 S CA -0.031 57.853 58.200 -0.527 0.000 1.056 288 S CB -0.301 62.236 63.200 -1.106 0.000 0.853 288 S HN 0.450 nan 8.310 nan 0.000 0.505 289 Y N 3.273 123.297 120.300 -0.459 0.000 2.207 289 Y HA -0.200 4.370 4.550 0.032 0.000 0.287 289 Y C 2.028 177.730 175.900 -0.329 0.000 1.156 289 Y CA 1.971 59.765 58.100 -0.510 0.000 1.182 289 Y CB -0.103 37.940 38.460 -0.695 0.000 0.979 289 Y HN 0.923 nan 8.280 nan 0.000 0.521 290 W N -0.676 120.576 121.300 -0.081 0.000 2.392 290 W HA -0.068 4.617 4.660 0.041 0.000 0.279 290 W C 1.853 178.234 176.519 -0.230 0.000 1.225 290 W CA 0.858 58.119 57.345 -0.139 0.000 1.233 290 W CB -1.183 28.197 29.460 -0.133 0.000 1.122 290 W HN 0.190 nan 8.180 nan 0.000 0.561 291 A N 1.634 124.108 122.820 -0.577 0.000 2.172 291 A HA 0.004 4.344 4.320 0.034 0.000 0.216 291 A C 2.133 179.647 177.584 -0.117 0.000 1.154 291 A CA 0.944 52.679 52.037 -0.505 0.000 0.701 291 A CB -0.790 17.740 19.000 -0.783 0.000 0.789 291 A HN 0.383 nan 8.150 nan 0.000 0.465 292 L N -0.842 120.232 121.223 -0.249 0.000 2.492 292 L HA 0.091 4.451 4.340 0.034 0.000 0.223 292 L C 1.729 178.518 176.870 -0.135 0.000 1.132 292 L CA 0.084 54.800 54.840 -0.207 0.000 0.850 292 L CB -0.742 41.069 42.059 -0.412 0.000 0.966 292 L HN 0.451 nan 8.230 nan 0.000 0.454 293 G N -0.412 108.313 108.800 -0.125 0.000 2.553 293 G HA2 0.090 4.070 3.960 0.034 0.000 0.278 293 G HA3 0.090 4.070 3.960 0.034 0.000 0.278 293 G C -0.838 174.228 174.900 0.276 0.000 1.349 293 G CA -0.438 44.652 45.100 -0.017 0.000 1.037 293 G HN -0.064 nan 8.290 nan 0.000 0.508 294 F N 0.151 120.294 119.950 0.322 0.000 2.412 294 F HA 0.479 5.025 4.527 0.032 0.000 0.348 294 F C -0.014 175.894 175.800 0.180 0.000 1.102 294 F CA -0.770 57.379 58.000 0.249 0.000 1.196 294 F CB 0.670 39.800 39.000 0.216 0.000 1.144 294 F HN 0.336 nan 8.300 nan 0.000 0.541 295 H N 5.344 123.956 119.070 -0.764 0.000 2.469 295 H HA 0.614 5.191 4.556 0.035 0.000 0.342 295 H C -1.178 173.543 175.328 -1.013 0.000 1.115 295 H CA -0.719 54.977 56.048 -0.588 0.000 1.204 295 H CB 1.711 31.186 29.762 -0.477 0.000 1.492 295 H HN 0.643 nan 8.280 nan 0.000 0.499 296 L N 1.619 122.638 121.223 -0.341 0.000 2.362 296 L HA 0.726 5.087 4.340 0.034 0.000 0.271 296 L C -0.602 176.294 176.870 0.043 0.000 1.002 296 L CA -0.122 54.572 54.840 -0.243 0.000 0.818 296 L CB 1.916 43.857 42.059 -0.197 0.000 1.298 296 L HN 0.632 nan 8.230 nan 0.000 0.420 297 S N 3.331 119.091 115.700 0.099 0.000 2.567 297 S HA 0.907 5.397 4.470 0.034 0.000 0.270 297 S C -1.621 173.169 174.600 0.316 0.000 1.152 297 S CA -0.649 57.721 58.200 0.283 0.000 0.835 297 S CB 1.303 64.487 63.200 -0.026 0.000 1.115 297 S HN 0.954 nan 8.310 nan 0.000 0.459 298 R N 1.709 122.335 120.500 0.211 0.000 2.690 298 R HA 0.374 4.734 4.340 0.034 0.000 0.269 298 R C -1.900 174.467 176.300 0.113 0.000 1.037 298 R CA -1.020 55.059 56.100 -0.034 0.000 0.877 298 R CB 0.494 30.529 30.300 -0.442 0.000 1.255 298 R HN 0.663 nan 8.270 nan 0.000 0.467 299 Y N 2.723 123.030 120.300 0.012 0.000 2.393 299 Y HA 0.110 4.679 4.550 0.032 0.000 0.338 299 Y C -0.323 175.505 175.900 -0.121 0.000 1.029 299 Y CA -0.170 57.968 58.100 0.063 0.000 1.239 299 Y CB 0.716 39.270 38.460 0.157 0.000 1.170 299 Y HN 0.819 nan 8.280 nan 0.000 0.515 300 E N 4.861 125.099 120.200 0.063 0.000 2.266 300 E HA -0.298 4.072 4.350 0.034 0.000 0.209 300 E C -0.266 176.269 176.600 -0.108 0.000 1.286 300 E CA 0.615 56.953 56.400 -0.102 0.000 0.677 300 E CB -1.674 27.803 29.700 -0.371 0.000 1.173 300 E HN 0.919 nan 8.360 nan 0.000 0.384 301 Y N -0.008 120.352 120.300 0.101 0.000 2.256 301 Y HA -0.208 4.374 4.550 0.053 0.000 0.288 301 Y C 2.436 178.347 175.900 0.020 0.000 1.155 301 Y CA 1.972 60.109 58.100 0.062 0.000 1.203 301 Y CB -0.134 38.389 38.460 0.105 0.000 0.980 301 Y HN 0.649 nan 8.280 nan 0.000 0.530 302 G N -0.830 108.105 108.800 0.225 0.000 2.640 302 G HA2 -0.323 3.657 3.960 0.034 0.000 0.226 302 G HA3 -0.323 3.657 3.960 0.034 0.000 0.226 302 G C 0.510 175.495 174.900 0.142 0.000 1.222 302 G CA 0.703 45.884 45.100 0.136 0.000 0.729 302 G HN 0.657 nan 8.290 nan 0.000 0.516 303 T N -2.338 112.176 114.554 -0.068 0.000 2.896 303 T HA 0.662 5.032 4.350 0.034 0.000 0.297 303 T C 0.963 175.093 174.700 -0.949 0.000 1.108 303 T CA 0.214 62.027 62.100 -0.479 0.000 1.004 303 T CB 2.054 70.747 68.868 -0.291 0.000 1.159 303 T HN 1.042 nan 8.240 nan 0.000 0.499 304 L N 1.138 121.415 121.223 -1.576 0.000 2.079 304 L HA 0.020 4.380 4.340 0.034 0.000 0.210 304 L C 1.858 178.336 176.870 -0.652 0.000 1.081 304 L CA 2.080 56.181 54.840 -1.231 0.000 0.752 304 L CB -1.117 40.374 42.059 -0.946 0.000 0.896 304 L HN 0.821 nan 8.230 nan 0.000 0.433 305 D N -0.507 119.626 120.400 -0.445 0.000 2.104 305 D HA -0.182 4.478 4.640 0.034 0.000 0.194 305 D C 1.931 178.099 176.300 -0.219 0.000 0.994 305 D CA 1.232 55.076 54.000 -0.260 0.000 0.830 305 D CB -0.193 40.499 40.800 -0.180 0.000 0.959 305 D HN 0.367 nan 8.370 nan 0.000 0.452 306 N N -0.091 118.482 118.700 -0.211 0.000 2.120 306 N HA -0.118 4.642 4.740 0.034 0.000 0.188 306 N C 1.786 177.194 175.510 -0.169 0.000 1.024 306 N CA 0.482 53.467 53.050 -0.109 0.000 0.852 306 N CB -0.348 38.132 38.487 -0.012 0.000 1.003 306 N HN 0.285 nan 8.380 nan 0.000 0.424 307 M N 0.832 120.199 119.600 -0.388 0.000 2.086 307 M HA -0.120 4.381 4.480 0.034 0.000 0.261 307 M C 1.955 178.008 176.300 -0.412 0.000 1.067 307 M CA 1.469 56.329 55.300 -0.732 0.000 1.116 307 M CB 0.053 32.170 32.600 -0.804 0.000 1.348 307 M HN 0.010 nan 8.290 nan 0.000 0.407 308 R N -0.035 120.262 120.500 -0.338 0.000 2.091 308 R HA -0.222 4.138 4.340 0.034 0.000 0.238 308 R C 2.189 178.485 176.300 -0.007 0.000 1.136 308 R CA 2.070 58.126 56.100 -0.074 0.000 0.959 308 R CB -0.635 29.627 30.300 -0.064 0.000 0.856 308 R HN 0.594 nan 8.270 nan 0.000 0.437 309 E N 0.534 120.704 120.200 -0.049 0.000 2.070 309 E HA -0.199 4.172 4.350 0.034 0.000 0.197 309 E C 1.891 178.511 176.600 0.033 0.000 1.004 309 E CA 1.653 58.050 56.400 -0.005 0.000 0.805 309 E CB 0.123 29.814 29.700 -0.015 0.000 0.744 309 E HN 0.115 nan 8.360 nan 0.000 0.451 310 V N 0.400 120.329 119.914 0.024 0.000 2.307 310 V HA -0.237 3.903 4.120 0.034 0.000 0.245 310 V C 2.463 178.641 176.094 0.140 0.000 1.045 310 V CA 1.458 63.809 62.300 0.084 0.000 1.024 310 V CB -0.359 31.547 31.823 0.139 0.000 0.651 310 V HN 0.210 nan 8.190 nan 0.000 0.449 311 V N -0.098 119.919 119.914 0.172 0.000 2.282 311 V HA -0.252 3.888 4.120 0.034 0.000 0.249 311 V C 2.640 178.894 176.094 0.266 0.000 1.057 311 V CA 2.059 64.556 62.300 0.329 0.000 1.032 311 V CB -0.671 31.347 31.823 0.325 0.000 0.645 311 V HN 0.541 nan 8.190 nan 0.000 0.447 312 E N 0.449 120.745 120.200 0.159 0.000 2.106 312 E HA -0.205 4.165 4.350 0.034 0.000 0.192 312 E C 2.353 179.017 176.600 0.106 0.000 0.984 312 E CA 1.516 57.984 56.400 0.114 0.000 0.806 312 E CB -0.367 29.378 29.700 0.075 0.000 0.750 312 E HN 0.791 nan 8.360 nan 0.000 0.458 313 R N 0.710 121.269 120.500 0.098 0.000 2.115 313 R HA 0.056 4.416 4.340 0.034 0.000 0.226 313 R C 1.755 178.112 176.300 0.094 0.000 1.100 313 R CA 1.160 57.307 56.100 0.079 0.000 0.980 313 R CB -0.294 30.041 30.300 0.059 0.000 0.875 313 R HN 0.043 nan 8.270 nan 0.000 0.445 314 N N 1.070 119.849 118.700 0.131 0.000 2.216 314 N HA -0.060 4.701 4.740 0.034 0.000 0.183 314 N C 1.756 177.389 175.510 0.206 0.000 1.017 314 N CA 1.008 54.135 53.050 0.129 0.000 0.861 314 N CB -0.094 38.400 38.487 0.011 0.000 0.986 314 N HN 0.349 nan 8.380 nan 0.000 0.428 315 R N 1.076 121.733 120.500 0.261 0.000 2.081 315 R HA 0.004 4.364 4.340 0.034 0.000 0.235 315 R C 2.259 178.615 176.300 0.094 0.000 1.131 315 R CA 1.184 57.388 56.100 0.173 0.000 0.960 315 R CB -0.311 30.055 30.300 0.111 0.000 0.856 315 R HN 0.157 nan 8.270 nan 0.000 0.436 316 A N 1.261 124.129 122.820 0.080 0.000 1.972 316 A HA -0.089 4.251 4.320 0.034 0.000 0.219 316 A C 2.193 179.803 177.584 0.043 0.000 1.169 316 A CA 1.672 53.739 52.037 0.051 0.000 0.635 316 A CB -0.394 18.633 19.000 0.046 0.000 0.810 316 A HN 0.393 nan 8.150 nan 0.000 0.446 317 A N -2.164 120.688 122.820 0.052 0.000 2.238 317 A HA 0.235 4.575 4.320 0.034 0.000 0.208 317 A C 0.883 178.481 177.584 0.023 0.000 1.177 317 A CA 0.886 52.944 52.037 0.035 0.000 0.804 317 A CB -0.124 18.897 19.000 0.035 0.000 0.823 317 A HN 0.434 nan 8.150 nan 0.000 0.482 318 Q N -2.371 117.449 119.800 0.033 0.000 2.494 318 Q HA -0.203 4.157 4.340 0.034 0.000 0.272 318 Q C -0.241 175.756 176.000 -0.005 0.000 1.145 318 Q CA 0.690 56.502 55.803 0.016 0.000 0.943 318 Q CB -2.515 26.223 28.738 -0.001 0.000 1.338 318 Q HN 0.582 nan 8.270 nan 0.000 0.492 319 L N 1.727 122.963 121.223 0.021 0.000 2.410 319 L HA 0.244 4.604 4.340 0.034 0.000 0.273 319 L C -1.854 175.007 176.870 -0.016 0.000 1.152 319 L CA -0.981 53.844 54.840 -0.025 0.000 0.855 319 L CB 0.514 42.561 42.059 -0.019 0.000 1.129 319 L HN -0.156 nan 8.230 nan 0.000 0.463 320 P HA 0.051 nan 4.420 nan 0.000 0.267 320 P C -1.741 175.592 177.300 0.055 0.000 1.209 320 P CA 0.469 63.337 63.100 -0.385 0.000 0.763 320 P CB 0.127 31.189 31.700 -1.063 0.000 0.816 321 Y N 2.905 123.250 120.300 0.073 0.000 2.299 321 Y HA 0.208 4.776 4.550 0.030 0.000 0.327 321 Y C -0.455 175.540 175.900 0.157 0.000 1.187 321 Y CA -0.970 57.271 58.100 0.235 0.000 1.378 321 Y CB 0.289 38.865 38.460 0.193 0.000 1.205 321 Y HN 0.231 nan 8.280 nan 0.000 0.441 322 D N 2.537 123.115 120.400 0.298 0.000 2.277 322 D HA 0.241 4.901 4.640 0.034 0.000 0.209 322 D C -0.324 175.899 176.300 -0.128 0.000 0.970 322 D CA 1.241 55.271 54.000 0.050 0.000 0.874 322 D CB 0.824 41.689 40.800 0.107 0.000 0.982 322 D HN 0.158 nan 8.370 nan 0.000 0.504 323 V N 0.888 120.756 119.914 -0.077 0.000 2.709 323 V HA 0.434 4.575 4.120 0.034 0.000 0.308 323 V C -0.802 175.403 176.094 0.186 0.000 1.062 323 V CA -0.959 61.280 62.300 -0.101 0.000 0.901 323 V CB 1.954 33.566 31.823 -0.352 0.000 1.003 323 V HN -0.164 nan 8.190 nan 0.000 0.425 324 Q N 2.864 122.784 119.800 0.200 0.000 2.316 324 Q HA 0.453 4.813 4.340 0.034 0.000 0.264 324 Q C -0.871 175.393 176.000 0.440 0.000 0.987 324 Q CA -0.215 55.819 55.803 0.384 0.000 0.852 324 Q CB 1.108 30.040 28.738 0.322 0.000 1.287 324 Q HN 0.827 nan 8.270 nan 0.000 0.448 325 H N 1.344 120.599 119.070 0.308 0.000 2.483 325 H HA 0.784 5.359 4.556 0.032 0.000 0.338 325 H C -1.036 174.585 175.328 0.488 0.000 1.152 325 H CA -0.878 55.390 56.048 0.367 0.000 1.264 325 H CB 1.845 31.751 29.762 0.240 0.000 1.510 325 H HN 0.706 nan 8.280 nan 0.000 0.530 326 A N 2.886 126.064 122.820 0.597 0.000 2.319 326 A HA 0.195 4.535 4.320 0.034 0.000 0.310 326 A C -0.399 177.544 177.584 0.600 0.000 1.152 326 A CA -0.721 51.661 52.037 0.575 0.000 0.783 326 A CB 1.113 20.370 19.000 0.428 0.000 1.184 326 A HN 0.712 nan 8.150 nan 0.000 0.474 327 D N 1.291 122.003 120.400 0.520 0.000 2.478 327 D HA 0.246 4.907 4.640 0.034 0.000 0.274 327 D C 1.758 178.058 176.300 0.000 0.000 1.234 327 D CA -0.222 53.923 54.000 0.242 0.000 1.069 327 D CB 0.743 41.748 40.800 0.342 0.000 1.113 327 D HN 0.503 nan 8.370 nan 0.000 0.571 328 I N -1.180 119.225 120.570 -0.275 0.000 2.916 328 I HA -0.128 4.063 4.170 0.034 0.000 0.267 328 I C 1.202 177.063 176.117 -0.428 0.000 1.263 328 I CA 0.786 61.789 61.300 -0.495 0.000 1.471 328 I CB -0.440 37.170 38.000 -0.650 0.000 1.089 328 I HN 0.187 nan 8.210 nan 0.000 0.468 329 D N 2.084 122.377 120.400 -0.178 0.000 2.263 329 D HA -0.304 4.357 4.640 0.034 0.000 0.208 329 D C 2.031 178.050 176.300 -0.468 0.000 0.971 329 D CA 1.489 55.408 54.000 -0.133 0.000 0.867 329 D CB -0.894 39.975 40.800 0.116 0.000 0.929 329 D HN 0.753 nan 8.370 nan 0.000 0.492 330 Y N 0.682 120.517 120.300 -0.776 0.000 2.352 330 Y HA 0.119 4.688 4.550 0.032 0.000 0.292 330 Y C 1.343 176.853 175.900 -0.651 0.000 1.136 330 Y CA -0.378 56.827 58.100 -1.493 0.000 1.227 330 Y CB -0.668 37.140 38.460 -1.087 0.000 0.991 330 Y HN -0.192 nan 8.280 nan 0.000 0.545 331 M N 1.315 120.410 119.600 -0.842 0.000 2.202 331 M HA 0.048 4.548 4.480 0.034 0.000 0.316 331 M C -0.295 175.874 176.300 -0.218 0.000 1.138 331 M CA -0.189 54.808 55.300 -0.505 0.000 1.151 331 M CB 0.224 32.446 32.600 -0.630 0.000 1.422 331 M HN 0.038 nan 8.290 nan 0.000 0.471 332 D N 2.169 122.501 120.400 -0.114 0.000 2.352 332 D HA 0.024 4.685 4.640 0.034 0.000 0.245 332 D C -0.343 175.884 176.300 -0.120 0.000 1.224 332 D CA 0.378 54.331 54.000 -0.077 0.000 0.879 332 D CB 0.209 40.983 40.800 -0.044 0.000 1.057 332 D HN 0.529 nan 8.370 nan 0.000 0.491 333 E N 3.515 123.652 120.200 -0.105 0.000 2.297 333 E HA -0.300 4.070 4.350 0.034 0.000 0.228 333 E C -0.003 176.520 176.600 -0.129 0.000 1.213 333 E CA 0.449 56.788 56.400 -0.100 0.000 0.712 333 E CB -1.114 28.531 29.700 -0.091 0.000 1.202 333 E HN 0.752 nan 8.360 nan 0.000 0.376 334 R N -1.698 118.697 120.500 -0.174 0.000 3.770 334 R HA -0.228 4.133 4.340 0.034 0.000 0.305 334 R C 0.038 176.222 176.300 -0.193 0.000 1.184 334 R CA 1.353 57.334 56.100 -0.200 0.000 0.823 334 R CB -1.310 28.942 30.300 -0.081 0.000 1.285 334 R HN 0.291 nan 8.270 nan 0.000 0.499 335 R N 1.049 121.411 120.500 -0.231 0.000 2.393 335 R HA 0.182 4.542 4.340 0.034 0.000 0.310 335 R C -0.239 175.942 176.300 -0.197 0.000 0.968 335 R CA -1.065 54.907 56.100 -0.214 0.000 0.867 335 R CB 0.990 31.072 30.300 -0.363 0.000 1.124 335 R HN -0.024 nan 8.270 nan 0.000 0.450 336 D N 1.991 122.275 120.400 -0.192 0.000 2.478 336 D HA -0.096 4.565 4.640 0.034 0.000 0.234 336 D C 0.319 176.343 176.300 -0.460 0.000 1.154 336 D CA 0.934 54.616 54.000 -0.530 0.000 0.874 336 D CB 0.190 40.561 40.800 -0.715 0.000 1.198 336 D HN 0.417 nan 8.370 nan 0.000 0.455 337 F N -1.941 117.646 119.950 -0.605 0.000 3.074 337 F HA -0.251 4.295 4.527 0.032 0.000 0.289 337 F C 0.821 176.221 175.800 -0.667 0.000 0.863 337 F CA 0.810 58.184 58.000 -1.044 0.000 1.121 337 F CB -2.692 35.982 39.000 -0.543 0.000 1.169 337 F HN 0.306 nan 8.300 nan 0.000 0.570 338 T N -2.394 111.966 114.554 -0.323 0.000 2.883 338 T HA 0.783 5.153 4.350 0.034 0.000 0.296 338 T C -0.852 174.095 174.700 0.412 0.000 1.117 338 T CA -0.590 61.593 62.100 0.139 0.000 1.006 338 T CB 3.137 72.060 68.868 0.092 0.000 1.191 338 T HN 0.571 nan 8.240 nan 0.000 0.508 339 Y N -0.781 119.769 120.300 0.416 0.000 2.545 339 Y HA 0.710 5.282 4.550 0.037 0.000 0.348 339 Y C -0.697 175.328 175.900 0.208 0.000 1.002 339 Y CA -1.390 56.933 58.100 0.371 0.000 1.039 339 Y CB 1.266 40.095 38.460 0.615 0.000 1.271 339 Y HN 0.619 nan 8.280 nan 0.000 0.467 340 D N 1.969 122.514 120.400 0.241 0.000 2.342 340 D HA 0.031 4.691 4.640 0.034 0.000 0.260 340 D C 0.943 177.370 176.300 0.211 0.000 1.278 340 D CA 0.600 54.693 54.000 0.154 0.000 0.910 340 D CB 1.033 41.949 40.800 0.193 0.000 1.079 340 D HN 0.745 nan 8.370 nan 0.000 0.496 341 S N 2.026 117.740 115.700 0.024 0.000 2.547 341 S HA -0.068 4.422 4.470 0.034 0.000 0.235 341 S C 1.548 176.218 174.600 0.117 0.000 0.980 341 S CA 0.320 58.544 58.200 0.041 0.000 0.941 341 S CB 0.197 63.359 63.200 -0.063 0.000 0.763 341 S HN 0.317 nan 8.310 nan 0.000 0.532 342 V N 1.661 121.640 119.914 0.107 0.000 2.635 342 V HA 0.047 4.188 4.120 0.034 0.000 0.233 342 V C 2.110 178.255 176.094 0.084 0.000 1.097 342 V CA 1.161 63.509 62.300 0.080 0.000 1.134 342 V CB -0.701 31.150 31.823 0.048 0.000 0.841 342 V HN 0.299 nan 8.190 nan 0.000 0.496 343 D N -0.050 120.417 120.400 0.111 0.000 2.218 343 D HA -0.091 4.570 4.640 0.034 0.000 0.204 343 D C 1.006 177.272 176.300 -0.057 0.000 0.976 343 D CA 1.461 55.497 54.000 0.060 0.000 0.853 343 D CB -0.071 40.816 40.800 0.146 0.000 0.939 343 D HN 0.444 nan 8.370 nan 0.000 0.481 344 F N 0.366 120.336 119.950 0.033 0.000 2.855 344 F HA 0.207 4.770 4.527 0.060 0.000 0.317 344 F C 0.720 176.640 175.800 0.201 0.000 1.169 344 F CA -0.755 57.250 58.000 0.009 0.000 1.299 344 F CB 0.210 39.142 39.000 -0.113 0.000 0.962 344 F HN -0.372 nan 8.300 nan 0.000 0.506 345 K N 0.359 120.905 120.400 0.244 0.000 2.451 345 K HA 0.350 4.690 4.320 0.034 0.000 0.280 345 K C 1.280 177.997 176.600 0.194 0.000 1.020 345 K CA 1.190 57.631 56.287 0.256 0.000 1.008 345 K CB 0.239 32.820 32.500 0.135 0.000 0.917 345 K HN 0.508 nan 8.250 nan 0.000 0.478 346 G N 4.060 113.003 108.800 0.238 0.000 2.157 346 G HA2 -0.273 3.708 3.960 0.034 0.000 0.239 346 G HA3 -0.273 3.708 3.960 0.034 0.000 0.239 346 G C 0.408 175.434 174.900 0.209 0.000 0.982 346 G CA 0.107 45.307 45.100 0.167 0.000 0.650 346 G HN 0.670 nan 8.290 nan 0.000 0.527 347 F N 2.275 122.218 119.950 -0.012 0.000 2.087 347 F HA -0.017 4.516 4.527 0.009 0.000 0.299 347 F C 0.441 176.173 175.800 -0.112 0.000 1.100 347 F CA 1.926 59.863 58.000 -0.106 0.000 1.226 347 F CB -1.307 37.431 39.000 -0.436 0.000 0.983 347 F HN 0.290 nan 8.300 nan 0.000 0.479 348 P HA -0.171 nan 4.420 nan 0.000 0.218 348 P C 1.728 178.942 177.300 -0.143 0.000 1.149 348 P CA 1.669 64.629 63.100 -0.233 0.000 0.817 348 P CB -0.173 31.438 31.700 -0.149 0.000 0.785 349 E N -1.143 119.040 120.200 -0.028 0.000 2.107 349 E HA -0.168 4.202 4.350 0.034 0.000 0.191 349 E C 1.753 178.344 176.600 -0.014 0.000 0.982 349 E CA 0.785 57.173 56.400 -0.020 0.000 0.809 349 E CB -0.458 29.258 29.700 0.027 0.000 0.756 349 E HN 0.171 nan 8.360 nan 0.000 0.459 350 F N 1.078 120.981 119.950 -0.079 0.000 2.134 350 F HA -0.185 4.323 4.527 -0.031 0.000 0.299 350 F C 2.077 177.766 175.800 -0.185 0.000 1.097 350 F CA 1.105 59.065 58.000 -0.068 0.000 1.264 350 F CB -0.398 38.644 39.000 0.070 0.000 1.001 350 F HN -0.178 nan 8.300 nan 0.000 0.479 351 V N 1.287 120.968 119.914 -0.388 0.000 2.332 351 V HA -0.366 3.775 4.120 0.034 0.000 0.248 351 V C 2.218 177.856 176.094 -0.761 0.000 1.055 351 V CA 2.224 64.102 62.300 -0.703 0.000 1.038 351 V CB -0.960 30.462 31.823 -0.668 0.000 0.651 351 V HN 0.374 nan 8.190 nan 0.000 0.450 352 N N 0.341 118.775 118.700 -0.444 0.000 2.104 352 N HA -0.192 4.568 4.740 0.034 0.000 0.190 352 N C 1.802 177.144 175.510 -0.280 0.000 1.024 352 N CA 1.730 54.607 53.050 -0.289 0.000 0.853 352 N CB -0.360 38.027 38.487 -0.166 0.000 1.008 352 N HN 0.639 nan 8.380 nan 0.000 0.424 353 E N 0.585 120.599 120.200 -0.310 0.000 2.077 353 E HA -0.105 4.265 4.350 0.034 0.000 0.193 353 E C 2.094 178.479 176.600 -0.357 0.000 0.989 353 E CA 0.593 56.827 56.400 -0.277 0.000 0.800 353 E CB -0.208 29.354 29.700 -0.231 0.000 0.746 353 E HN 0.282 nan 8.360 nan 0.000 0.452 354 L N 0.370 121.243 121.223 -0.584 0.000 2.012 354 L HA -0.246 4.115 4.340 0.034 0.000 0.210 354 L C 2.443 179.128 176.870 -0.308 0.000 1.073 354 L CA 1.678 56.194 54.840 -0.541 0.000 0.748 354 L CB -0.548 41.088 42.059 -0.705 0.000 0.891 354 L HN 0.288 nan 8.230 nan 0.000 0.431 355 H N -0.912 117.960 119.070 -0.330 0.000 2.353 355 H HA -0.125 4.457 4.556 0.044 0.000 0.300 355 H C 1.976 177.174 175.328 -0.215 0.000 1.090 355 H CA 1.055 56.940 56.048 -0.271 0.000 1.327 355 H CB 0.120 29.734 29.762 -0.246 0.000 1.383 355 H HN 0.344 nan 8.280 nan 0.000 0.508 356 N N 0.764 119.421 118.700 -0.070 0.000 2.289 356 N HA -0.108 4.652 4.740 0.034 0.000 0.184 356 N C 0.688 176.141 175.510 -0.094 0.000 1.016 356 N CA 0.925 53.926 53.050 -0.082 0.000 0.872 356 N CB -0.235 38.201 38.487 -0.085 0.000 0.973 356 N HN 0.479 nan 8.380 nan 0.000 0.433 357 N N -0.463 118.162 118.700 -0.125 0.000 2.322 357 N HA 0.161 4.921 4.740 0.034 0.000 0.194 357 N C 0.590 176.024 175.510 -0.127 0.000 1.126 357 N CA 0.296 53.272 53.050 -0.123 0.000 0.845 357 N CB 0.511 38.908 38.487 -0.150 0.000 0.976 357 N HN 0.158 nan 8.380 nan 0.000 0.475 358 G N 0.630 109.354 108.800 -0.125 0.000 2.137 358 G HA2 -0.285 3.696 3.960 0.034 0.000 0.237 358 G HA3 -0.285 3.696 3.960 0.034 0.000 0.237 358 G C -0.107 174.692 174.900 -0.168 0.000 1.002 358 G CA -0.033 44.993 45.100 -0.124 0.000 0.702 358 G HN 0.348 nan 8.290 nan 0.000 0.515 359 Q N -0.807 118.866 119.800 -0.212 0.000 2.252 359 Q HA 0.747 5.107 4.340 0.034 0.000 0.256 359 Q C -0.151 175.677 176.000 -0.287 0.000 1.020 359 Q CA -0.871 54.767 55.803 -0.276 0.000 0.913 359 Q CB 1.265 29.788 28.738 -0.358 0.000 1.286 359 Q HN 0.085 nan 8.270 nan 0.000 0.480 360 K N 0.948 121.127 120.400 -0.367 0.000 2.385 360 K HA 0.500 4.840 4.320 0.034 0.000 0.248 360 K C -1.399 175.048 176.600 -0.255 0.000 0.955 360 K CA -0.920 55.092 56.287 -0.459 0.000 0.816 360 K CB 1.903 33.754 32.500 -1.082 0.000 1.250 360 K HN 0.384 nan 8.250 nan 0.000 0.434 361 L N 1.636 122.773 121.223 -0.143 0.000 2.313 361 L HA 0.432 4.793 4.340 0.034 0.000 0.283 361 L C -1.202 175.715 176.870 0.078 0.000 1.013 361 L CA -0.624 54.211 54.840 -0.009 0.000 0.816 361 L CB 1.723 43.771 42.059 -0.019 0.000 1.236 361 L HN 0.295 nan 8.230 nan 0.000 0.419 362 V N 6.442 126.399 119.914 0.072 0.000 2.417 362 V HA 0.473 4.614 4.120 0.034 0.000 0.291 362 V C 0.072 176.269 176.094 0.173 0.000 1.024 362 V CA -0.527 61.831 62.300 0.097 0.000 0.861 362 V CB 1.542 33.236 31.823 -0.215 0.000 0.985 362 V HN 0.747 nan 8.190 nan 0.000 0.436 363 I N 3.082 123.769 120.570 0.195 0.000 2.460 363 I HA 0.623 4.814 4.170 0.034 0.000 0.298 363 I C -0.107 176.159 176.117 0.249 0.000 0.989 363 I CA -0.546 60.854 61.300 0.165 0.000 1.173 363 I CB 1.553 39.506 38.000 -0.078 0.000 1.338 363 I HN 0.523 nan 8.210 nan 0.000 0.456 364 I N 5.847 126.574 120.570 0.262 0.000 2.575 364 I HA 0.363 4.553 4.170 0.034 0.000 0.285 364 I C -0.776 175.320 176.117 -0.035 0.000 1.085 364 I CA -0.196 61.035 61.300 -0.115 0.000 1.403 364 I CB 0.985 38.575 38.000 -0.683 0.000 1.409 364 I HN 0.461 nan 8.210 nan 0.000 0.557 365 V N 6.638 126.509 119.914 -0.071 0.000 2.623 365 V HA 0.385 4.525 4.120 0.034 0.000 0.304 365 V C -0.784 175.343 176.094 0.054 0.000 1.054 365 V CA -0.916 61.361 62.300 -0.039 0.000 0.882 365 V CB 1.799 33.674 31.823 0.087 0.000 1.002 365 V HN 0.628 nan 8.190 nan 0.000 0.424 366 D N 5.997 126.421 120.400 0.040 0.000 2.229 366 D HA 0.374 5.035 4.640 0.034 0.000 0.249 366 D C -1.577 174.893 176.300 0.284 0.000 1.027 366 D CA -1.443 52.643 54.000 0.142 0.000 0.923 366 D CB 2.526 43.404 40.800 0.129 0.000 1.174 366 D HN 0.253 nan 8.370 nan 0.000 0.443 367 P HA -0.039 nan 4.420 nan 0.000 0.217 367 P C 0.192 177.696 177.300 0.340 0.000 1.151 367 P CA 0.626 63.990 63.100 0.440 0.000 0.828 367 P CB 0.327 32.368 31.700 0.569 0.000 0.788 368 A N 0.821 123.721 122.820 0.134 0.000 2.388 368 A HA 0.438 4.779 4.320 0.034 0.000 0.257 368 A C 0.149 177.680 177.584 -0.088 0.000 1.095 368 A CA -0.033 51.894 52.037 -0.184 0.000 0.791 368 A CB -0.198 18.530 19.000 -0.453 0.000 1.029 368 A HN -0.017 nan 8.150 nan 0.000 0.489 369 I N 1.962 122.436 120.570 -0.160 0.000 2.418 369 I HA 0.208 4.398 4.170 0.034 0.000 0.287 369 I C 0.800 176.837 176.117 -0.133 0.000 1.008 369 I CA -0.160 61.177 61.300 0.062 0.000 1.104 369 I CB 1.304 39.470 38.000 0.277 0.000 1.264 369 I HN 0.687 nan 8.210 nan 0.000 0.438 370 S N 5.082 120.744 115.700 -0.064 0.000 2.563 370 S HA -0.031 4.459 4.470 0.034 0.000 0.294 370 S C 1.098 175.492 174.600 -0.344 0.000 1.279 370 S CA -0.114 57.936 58.200 -0.251 0.000 1.069 370 S CB 0.046 63.014 63.200 -0.388 0.000 0.828 370 S HN 0.692 nan 8.310 nan 0.000 0.497 371 N N 3.609 121.965 118.700 -0.574 0.000 2.276 371 N HA 0.019 4.779 4.740 0.034 0.000 0.212 371 N C -0.466 174.577 175.510 -0.777 0.000 1.127 371 N CA -0.267 52.117 53.050 -1.111 0.000 0.834 371 N CB -0.398 37.565 38.487 -0.874 0.000 1.014 371 N HN 0.420 nan 8.380 nan 0.000 0.491 372 N N 0.511 118.947 118.700 -0.440 0.000 2.558 372 N HA 0.175 4.935 4.740 0.034 0.000 0.233 372 N C -1.635 173.799 175.510 -0.125 0.000 1.038 372 N CA -0.047 52.851 53.050 -0.253 0.000 0.934 372 N CB 0.423 38.785 38.487 -0.208 0.000 1.175 372 N HN 0.178 nan 8.380 nan 0.000 0.512 373 S N 1.565 117.235 115.700 -0.049 0.000 2.546 373 S HA 0.695 5.185 4.470 0.034 0.000 0.272 373 S C -1.065 173.590 174.600 0.092 0.000 1.140 373 S CA -0.577 57.689 58.200 0.111 0.000 0.920 373 S CB 0.480 63.861 63.200 0.301 0.000 1.083 373 S HN 0.571 nan 8.310 nan 0.000 0.476 374 S N 2.651 118.402 115.700 0.085 0.000 2.704 374 S HA 0.606 5.096 4.470 0.034 0.000 0.296 374 S C 0.957 175.598 174.600 0.070 0.000 1.138 374 S CA -0.486 57.754 58.200 0.066 0.000 0.875 374 S CB 1.039 64.261 63.200 0.037 0.000 1.151 374 S HN 0.543 nan 8.310 nan 0.000 0.500 375 S N 1.361 117.094 115.700 0.054 0.000 2.353 375 S HA -0.141 4.350 4.470 0.034 0.000 0.222 375 S C 2.081 176.707 174.600 0.043 0.000 1.035 375 S CA 1.798 60.027 58.200 0.047 0.000 1.025 375 S CB -0.829 62.392 63.200 0.036 0.000 0.902 375 S HN 0.808 nan 8.310 nan 0.000 0.440 376 S N 0.696 116.417 115.700 0.036 0.000 2.356 376 S HA -0.038 4.452 4.470 0.034 0.000 0.223 376 S C 0.856 175.478 174.600 0.038 0.000 1.032 376 S CA 1.181 59.400 58.200 0.031 0.000 1.005 376 S CB -0.056 63.157 63.200 0.022 0.000 0.867 376 S HN 0.240 nan 8.310 nan 0.000 0.449 377 K N 2.207 122.633 120.400 0.044 0.000 2.679 377 K HA 0.456 4.796 4.320 0.034 0.000 0.188 377 K C -2.966 173.686 176.600 0.087 0.000 1.055 377 K CA -2.638 53.680 56.287 0.052 0.000 1.006 377 K CB 1.591 34.109 32.500 0.031 0.000 1.317 377 K HN 0.236 nan 8.250 nan 0.000 0.584 378 P HA 0.042 nan 4.420 nan 0.000 0.279 378 P C -1.247 176.189 177.300 0.227 0.000 1.239 378 P CA -0.319 62.869 63.100 0.146 0.000 0.789 378 P CB 0.515 32.281 31.700 0.111 0.000 0.933 379 Y N 2.030 122.398 120.300 0.112 0.000 2.388 379 Y HA 0.465 5.034 4.550 0.032 0.000 0.328 379 Y C 1.435 177.451 175.900 0.193 0.000 0.963 379 Y CA -0.360 57.819 58.100 0.131 0.000 1.240 379 Y CB 0.708 39.234 38.460 0.109 0.000 1.118 379 Y HN 0.550 nan 8.280 nan 0.000 0.484 380 G N 5.924 114.650 108.800 -0.124 0.000 2.491 380 G HA2 -0.223 3.757 3.960 0.034 0.000 0.218 380 G HA3 -0.223 3.757 3.960 0.034 0.000 0.218 380 G C -0.891 173.925 174.900 -0.141 0.000 1.180 380 G CA 0.854 45.890 45.100 -0.107 0.000 0.774 380 G HN 0.568 nan 8.290 nan 0.000 0.562 381 P HA -0.124 nan 4.420 nan 0.000 0.216 381 P C 1.388 178.898 177.300 0.350 0.000 1.150 381 P CA 0.928 64.037 63.100 0.016 0.000 0.837 381 P CB -0.102 31.587 31.700 -0.019 0.000 0.786 382 Y N 1.006 121.339 120.300 0.055 0.000 2.184 382 Y HA -0.167 4.403 4.550 0.033 0.000 0.290 382 Y C 1.795 177.866 175.900 0.285 0.000 1.129 382 Y CA 1.676 59.961 58.100 0.308 0.000 1.144 382 Y CB -0.873 37.741 38.460 0.257 0.000 0.995 382 Y HN -0.138 nan 8.280 nan 0.000 0.513 383 D N 0.060 120.523 120.400 0.106 0.000 2.104 383 D HA -0.174 4.486 4.640 0.034 0.000 0.194 383 D C 2.227 178.495 176.300 -0.053 0.000 0.994 383 D CA 1.635 55.626 54.000 -0.014 0.000 0.830 383 D CB -0.318 40.524 40.800 0.069 0.000 0.959 383 D HN 0.412 nan 8.370 nan 0.000 0.452 384 R N 0.245 120.764 120.500 0.032 0.000 2.092 384 R HA 0.012 4.372 4.340 0.034 0.000 0.231 384 R C 2.436 178.690 176.300 -0.077 0.000 1.119 384 R CA 1.112 57.242 56.100 0.050 0.000 0.970 384 R CB -0.462 29.928 30.300 0.151 0.000 0.864 384 R HN 0.167 nan 8.270 nan 0.000 0.440 385 G N 0.123 108.784 108.800 -0.230 0.000 2.418 385 G HA2 -0.234 3.747 3.960 0.034 0.000 0.217 385 G HA3 -0.234 3.747 3.960 0.034 0.000 0.217 385 G C 1.433 175.715 174.900 -1.029 0.000 1.158 385 G CA 0.673 45.034 45.100 -1.232 0.000 0.771 385 G HN 0.205 nan 8.290 nan 0.000 0.545 386 S N 0.723 116.172 115.700 -0.419 0.000 2.368 386 S HA -0.084 4.406 4.470 0.034 0.000 0.224 386 S C 2.033 176.481 174.600 -0.254 0.000 1.029 386 S CA 1.221 59.285 58.200 -0.227 0.000 0.988 386 S CB -0.260 62.770 63.200 -0.283 0.000 0.838 386 S HN 0.332 nan 8.310 nan 0.000 0.462 387 D N 1.531 121.800 120.400 -0.218 0.000 2.133 387 D HA -0.097 4.564 4.640 0.034 0.000 0.195 387 D C 1.617 177.803 176.300 -0.189 0.000 0.997 387 D CA 1.235 55.142 54.000 -0.154 0.000 0.840 387 D CB -0.224 40.514 40.800 -0.103 0.000 0.947 387 D HN 0.419 nan 8.370 nan 0.000 0.452 388 M N -0.503 118.928 119.600 -0.282 0.000 2.556 388 M HA 0.059 4.560 4.480 0.034 0.000 0.245 388 M C -0.031 176.053 176.300 -0.360 0.000 1.128 388 M CA 0.272 55.402 55.300 -0.284 0.000 1.069 388 M CB 0.207 32.645 32.600 -0.270 0.000 1.469 388 M HN -0.177 nan 8.290 nan 0.000 0.494 389 K N 0.986 121.115 120.400 -0.453 0.000 3.125 389 K HA -0.169 4.171 4.320 0.034 0.000 0.268 389 K C -0.024 176.283 176.600 -0.490 0.000 1.078 389 K CA 0.288 56.339 56.287 -0.394 0.000 0.775 389 K CB -2.015 30.365 32.500 -0.201 0.000 1.253 389 K HN 0.423 nan 8.250 nan 0.000 0.486 390 I N -3.646 116.407 120.570 -0.861 0.000 3.891 390 I HA 0.199 4.389 4.170 0.034 0.000 0.331 390 I C 0.332 176.023 176.117 -0.711 0.000 1.406 390 I CA -0.643 60.200 61.300 -0.762 0.000 1.139 390 I CB -0.281 37.253 38.000 -0.777 0.000 1.056 390 I HN 0.163 nan 8.210 nan 0.000 0.399 391 W N 0.342 121.472 121.300 -0.284 0.000 2.215 391 W HA 0.560 5.239 4.660 0.033 0.000 0.342 391 W C 0.271 176.735 176.519 -0.092 0.000 1.237 391 W CA -1.328 55.902 57.345 -0.192 0.000 1.283 391 W CB 0.469 29.850 29.460 -0.132 0.000 1.131 391 W HN -0.289 nan 8.180 nan 0.000 0.606 392 V N 3.565 123.638 119.914 0.265 0.000 2.585 392 V HA -0.049 4.092 4.120 0.034 0.000 0.296 392 V C 0.229 176.424 176.094 0.169 0.000 1.035 392 V CA -0.222 62.188 62.300 0.183 0.000 1.084 392 V CB -0.455 31.488 31.823 0.202 0.000 0.953 392 V HN 0.456 nan 8.190 nan 0.000 0.483 393 N N 2.490 121.259 118.700 0.114 0.000 2.472 393 N HA 0.419 5.179 4.740 0.034 0.000 0.289 393 N C 0.055 175.605 175.510 0.067 0.000 1.156 393 N CA -0.414 52.692 53.050 0.093 0.000 0.940 393 N CB 1.558 40.089 38.487 0.073 0.000 1.200 393 N HN 0.640 nan 8.380 nan 0.000 0.511 394 S N -0.325 115.405 115.700 0.051 0.000 2.626 394 S HA 0.016 4.506 4.470 0.034 0.000 0.257 394 S C 1.536 176.152 174.600 0.026 0.000 1.288 394 S CA -0.390 57.828 58.200 0.030 0.000 0.980 394 S CB 0.359 63.569 63.200 0.017 0.000 0.975 394 S HN 0.675 nan 8.310 nan 0.000 0.577 395 S N 1.258 116.967 115.700 0.014 0.000 2.440 395 S HA -0.202 4.288 4.470 0.034 0.000 0.238 395 S C 1.326 175.935 174.600 0.015 0.000 1.010 395 S CA 1.543 59.751 58.200 0.013 0.000 0.972 395 S CB -0.703 62.497 63.200 0.001 0.000 0.774 395 S HN 0.847 nan 8.310 nan 0.000 0.501 396 D N 1.448 121.857 120.400 0.014 0.000 2.351 396 D HA 0.057 4.717 4.640 0.034 0.000 0.216 396 D C 1.588 177.901 176.300 0.022 0.000 0.968 396 D CA 1.033 55.042 54.000 0.015 0.000 0.899 396 D CB -1.187 39.620 40.800 0.012 0.000 0.907 396 D HN 0.714 nan 8.370 nan 0.000 0.514 397 G N -0.548 108.269 108.800 0.029 0.000 2.179 397 G HA2 -0.310 3.670 3.960 0.034 0.000 0.260 397 G HA3 -0.310 3.670 3.960 0.034 0.000 0.260 397 G C 0.960 175.881 174.900 0.035 0.000 0.977 397 G CA 1.300 46.421 45.100 0.034 0.000 0.641 397 G HN 1.093 nan 8.290 nan 0.000 0.533 398 V N -4.347 115.588 119.914 0.034 0.000 3.332 398 V HA 0.463 4.603 4.120 0.034 0.000 0.263 398 V C 0.693 176.813 176.094 0.044 0.000 1.562 398 V CA 1.036 63.356 62.300 0.034 0.000 1.040 398 V CB 0.627 32.465 31.823 0.025 0.000 0.857 398 V HN 0.327 nan 8.190 nan 0.000 0.428 399 T N 4.089 118.669 114.554 0.045 0.000 2.749 399 T HA 0.529 4.899 4.350 0.034 0.000 0.287 399 T C -2.771 171.969 174.700 0.067 0.000 0.970 399 T CA -1.121 61.009 62.100 0.050 0.000 0.980 399 T CB 1.408 70.295 68.868 0.033 0.000 0.924 399 T HN 0.213 nan 8.240 nan 0.000 0.456 400 P HA 0.052 nan 4.420 nan 0.000 0.262 400 P C -0.052 177.286 177.300 0.062 0.000 1.182 400 P CA -0.374 62.792 63.100 0.111 0.000 0.761 400 P CB 0.403 32.164 31.700 0.102 0.000 0.795 401 L N 4.692 125.971 121.223 0.094 0.000 2.410 401 L HA 0.202 4.562 4.340 0.034 0.000 0.273 401 L C -0.317 176.617 176.870 0.106 0.000 1.152 401 L CA 0.004 54.897 54.840 0.090 0.000 0.855 401 L CB 0.067 42.181 42.059 0.091 0.000 1.129 401 L HN 0.197 nan 8.230 nan 0.000 0.463 402 I N 5.367 125.973 120.570 0.061 0.000 2.354 402 I HA 0.501 4.691 4.170 0.034 0.000 0.292 402 I C 0.695 176.880 176.117 0.114 0.000 0.989 402 I CA -0.175 61.145 61.300 0.032 0.000 1.188 402 I CB 0.551 38.526 38.000 -0.042 0.000 1.342 402 I HN 0.740 nan 8.210 nan 0.000 0.457 403 G N 5.253 114.179 108.800 0.210 0.000 3.262 403 G HA2 0.695 4.676 3.960 0.034 0.000 0.229 403 G HA3 0.695 4.676 3.960 0.034 0.000 0.229 403 G C -1.117 173.809 174.900 0.044 0.000 1.280 403 G CA -0.365 44.876 45.100 0.235 0.000 0.951 403 G HN 0.511 nan 8.290 nan 0.000 0.589 404 E N -1.034 119.183 120.200 0.028 0.000 2.274 404 E HA 0.528 4.899 4.350 0.034 0.000 0.269 404 E C -0.874 175.516 176.600 -0.348 0.000 0.891 404 E CA -0.502 55.841 56.400 -0.095 0.000 0.784 404 E CB 2.626 32.342 29.700 0.026 0.000 1.225 404 E HN 0.296 nan 8.360 nan 0.000 0.412 405 V N 0.940 120.531 119.914 -0.539 0.000 3.703 405 V HA 0.287 4.427 4.120 0.034 0.000 0.306 405 V C 0.461 176.189 176.094 -0.610 0.000 1.407 405 V CA -0.944 60.629 62.300 -1.212 0.000 0.974 405 V CB 0.095 31.371 31.823 -0.913 0.000 1.188 405 V HN 0.845 nan 8.190 nan 0.000 0.477 406 W N 0.929 122.047 121.300 -0.304 0.000 2.321 406 W HA -0.068 4.616 4.660 0.040 0.000 0.306 406 W C -0.375 176.122 176.519 -0.035 0.000 1.217 406 W CA 1.861 59.209 57.345 0.005 0.000 1.257 406 W CB -1.412 28.032 29.460 -0.027 0.000 1.145 406 W HN 0.501 nan 8.180 nan 0.000 0.509 407 P HA 0.215 nan 4.420 nan 0.000 0.241 407 P C 0.742 178.012 177.300 -0.051 0.000 1.191 407 P CA 1.872 64.958 63.100 -0.023 0.000 0.771 407 P CB 0.477 32.097 31.700 -0.134 0.000 0.929 408 G N -0.481 108.295 108.800 -0.041 0.000 2.358 408 G HA2 -0.132 3.849 3.960 0.034 0.000 0.198 408 G HA3 -0.132 3.849 3.960 0.034 0.000 0.198 408 G C -1.209 173.617 174.900 -0.123 0.000 1.220 408 G CA -0.801 44.264 45.100 -0.058 0.000 1.187 408 G HN 0.189 nan 8.290 nan 0.000 0.544 409 Q N 1.136 120.853 119.800 -0.139 0.000 2.361 409 Q HA 0.474 4.835 4.340 0.034 0.000 0.276 409 Q C 0.294 176.128 176.000 -0.277 0.000 1.022 409 Q CA 1.162 56.859 55.803 -0.177 0.000 0.898 409 Q CB 0.766 29.407 28.738 -0.163 0.000 1.246 409 Q HN 0.928 nan 8.270 nan 0.000 0.410 410 T N -2.158 112.186 114.554 -0.349 0.000 2.883 410 T HA 0.633 5.004 4.350 0.034 0.000 0.301 410 T C -0.279 174.025 174.700 -0.660 0.000 1.158 410 T CA -0.970 60.810 62.100 -0.533 0.000 1.007 410 T CB 1.140 69.605 68.868 -0.670 0.000 1.186 410 T HN 0.397 nan 8.240 nan 0.000 0.499 411 V N -0.832 118.629 119.914 -0.756 0.000 2.975 411 V HA 0.900 5.041 4.120 0.034 0.000 0.318 411 V C -1.094 174.504 176.094 -0.827 0.000 1.077 411 V CA -1.283 60.562 62.300 -0.758 0.000 1.000 411 V CB 0.923 32.111 31.823 -1.058 0.000 1.066 411 V HN 0.853 nan 8.190 nan 0.000 0.452 412 F N 0.833 120.722 119.950 -0.102 0.000 2.493 412 F HA 0.667 5.215 4.527 0.034 0.000 0.329 412 F C -2.473 173.481 175.800 0.256 0.000 1.126 412 F CA -2.488 55.565 58.000 0.089 0.000 0.937 412 F CB 1.959 40.980 39.000 0.034 0.000 1.146 412 F HN 0.307 nan 8.300 nan 0.000 0.442 413 P HA -0.005 nan 4.420 nan 0.000 0.268 413 P C -0.713 176.441 177.300 -0.244 0.000 1.205 413 P CA -0.050 62.973 63.100 -0.128 0.000 0.771 413 P CB 0.643 31.949 31.700 -0.657 0.000 0.858 414 D N 1.912 122.118 120.400 -0.324 0.000 2.500 414 D HA 0.085 4.745 4.640 0.034 0.000 0.219 414 D C 0.029 176.065 176.300 -0.440 0.000 1.137 414 D CA -0.328 53.511 54.000 -0.268 0.000 0.946 414 D CB -0.345 40.362 40.800 -0.153 0.000 1.022 414 D HN 0.253 nan 8.370 nan 0.000 0.518 415 Y N 1.000 121.036 120.300 -0.441 0.000 2.616 415 Y HA -0.084 4.486 4.550 0.033 0.000 0.296 415 Y C 2.604 178.148 175.900 -0.593 0.000 1.154 415 Y CA 1.103 58.897 58.100 -0.510 0.000 1.325 415 Y CB -0.245 37.830 38.460 -0.641 0.000 1.007 415 Y HN 0.418 nan 8.280 nan 0.000 0.542 416 T N -2.510 111.687 114.554 -0.595 0.000 3.035 416 T HA -0.093 4.277 4.350 0.034 0.000 0.268 416 T C 0.777 175.164 174.700 -0.521 0.000 1.109 416 T CA 0.294 61.786 62.100 -1.012 0.000 1.119 416 T CB -0.353 67.638 68.868 -1.460 0.000 0.900 416 T HN 0.077 nan 8.240 nan 0.000 0.503 417 N N 2.839 121.319 118.700 -0.367 0.000 2.408 417 N HA 0.226 4.986 4.740 0.034 0.000 0.257 417 N C -1.658 173.677 175.510 -0.292 0.000 1.064 417 N CA -2.555 50.251 53.050 -0.407 0.000 0.952 417 N CB 1.856 40.136 38.487 -0.345 0.000 1.093 417 N HN 0.050 nan 8.380 nan 0.000 0.490 418 P HA -0.119 nan 4.420 nan 0.000 0.221 418 P C 0.749 177.995 177.300 -0.090 0.000 1.145 418 P CA 0.922 63.953 63.100 -0.116 0.000 0.795 418 P CB 0.428 32.090 31.700 -0.063 0.000 0.775 419 N N -0.411 118.207 118.700 -0.136 0.000 2.381 419 N HA -0.126 4.635 4.740 0.034 0.000 0.182 419 N C 1.828 177.305 175.510 -0.055 0.000 1.025 419 N CA 0.664 53.656 53.050 -0.096 0.000 0.888 419 N CB -1.106 37.299 38.487 -0.137 0.000 0.965 419 N HN 0.075 nan 8.380 nan 0.000 0.438 420 C N -0.283 118.956 119.300 -0.100 0.000 2.440 420 C HA 0.141 4.622 4.460 0.034 0.000 0.278 420 C C 2.662 177.774 174.990 0.203 0.000 1.295 420 C CA 1.112 60.116 59.018 -0.023 0.000 1.738 420 C CB -1.472 26.137 27.740 -0.218 0.000 1.987 420 C HN 0.529 nan 8.230 nan 0.000 0.492 421 A N -0.077 122.818 122.820 0.125 0.000 1.940 421 A HA -0.080 4.260 4.320 0.034 0.000 0.219 421 A C 2.313 180.024 177.584 0.211 0.000 1.176 421 A CA 2.269 54.431 52.037 0.208 0.000 0.631 421 A CB -0.798 18.263 19.000 0.103 0.000 0.814 421 A HN 0.465 nan 8.150 nan 0.000 0.446 422 V N -1.823 118.168 119.914 0.130 0.000 2.295 422 V HA -0.267 3.873 4.120 0.034 0.000 0.246 422 V C 2.203 178.366 176.094 0.115 0.000 1.049 422 V CA 1.976 64.331 62.300 0.091 0.000 1.024 422 V CB -1.042 30.809 31.823 0.046 0.000 0.648 422 V HN 0.909 nan 8.190 nan 0.000 0.447 423 W N -0.191 121.100 121.300 -0.015 0.000 2.335 423 W HA -0.243 4.438 4.660 0.035 0.000 0.311 423 W C 2.532 179.099 176.519 0.081 0.000 1.213 423 W CA 1.866 59.190 57.345 -0.036 0.000 1.274 423 W CB -0.554 28.823 29.460 -0.139 0.000 1.148 423 W HN 0.388 nan 8.180 nan 0.000 0.498 424 W N 1.122 122.227 121.300 -0.325 0.000 2.335 424 W HA -0.263 4.419 4.660 0.036 0.000 0.311 424 W C 2.045 178.452 176.519 -0.186 0.000 1.213 424 W CA 2.315 59.381 57.345 -0.465 0.000 1.274 424 W CB -0.694 28.843 29.460 0.129 0.000 1.148 424 W HN -0.198 nan 8.180 nan 0.000 0.498 425 T N 0.761 115.354 114.554 0.065 0.000 2.684 425 T HA -0.291 4.079 4.350 0.034 0.000 0.267 425 T C 1.613 176.236 174.700 -0.129 0.000 1.036 425 T CA 2.222 64.317 62.100 -0.008 0.000 1.148 425 T CB -0.418 68.460 68.868 0.017 0.000 0.863 425 T HN -0.040 nan 8.240 nan 0.000 0.436 426 K N 1.235 121.516 120.400 -0.198 0.000 2.147 426 K HA -0.077 4.264 4.320 0.034 0.000 0.205 426 K C 2.176 178.543 176.600 -0.388 0.000 1.049 426 K CA 1.174 57.323 56.287 -0.230 0.000 0.936 426 K CB -0.200 32.192 32.500 -0.180 0.000 0.722 426 K HN 0.159 nan 8.250 nan 0.000 0.446 427 E N -0.290 119.477 120.200 -0.722 0.000 2.077 427 E HA -0.145 4.226 4.350 0.034 0.000 0.193 427 E C 1.960 177.941 176.600 -1.031 0.000 0.989 427 E CA 1.079 56.765 56.400 -1.190 0.000 0.800 427 E CB -0.345 28.083 29.700 -2.120 0.000 0.746 427 E HN 0.323 nan 8.360 nan 0.000 0.452 428 F N 1.769 121.315 119.950 -0.673 0.000 2.146 428 F HA -0.107 4.439 4.527 0.032 0.000 0.298 428 F C 2.344 178.129 175.800 -0.024 0.000 1.096 428 F CA 1.122 59.008 58.000 -0.189 0.000 1.275 428 F CB -0.265 38.624 39.000 -0.185 0.000 1.008 428 F HN 0.050 nan 8.300 nan 0.000 0.480 429 E N 0.277 120.489 120.200 0.019 0.000 2.058 429 E HA -0.232 4.139 4.350 0.034 0.000 0.194 429 E C 2.290 178.900 176.600 0.017 0.000 0.997 429 E CA 1.533 57.917 56.400 -0.026 0.000 0.801 429 E CB -0.471 29.180 29.700 -0.081 0.000 0.746 429 E HN 0.390 nan 8.360 nan 0.000 0.450 430 L N -0.094 121.114 121.223 -0.025 0.000 2.017 430 L HA -0.169 4.192 4.340 0.034 0.000 0.208 430 L C 2.474 179.436 176.870 0.153 0.000 1.073 430 L CA 0.868 55.718 54.840 0.017 0.000 0.745 430 L CB -0.369 41.658 42.059 -0.053 0.000 0.894 430 L HN 0.119 nan 8.230 nan 0.000 0.432 431 F N -0.183 119.795 119.950 0.046 0.000 2.186 431 F HA -0.205 4.343 4.527 0.035 0.000 0.299 431 F C 2.701 178.688 175.800 0.311 0.000 1.090 431 F CA 1.439 59.575 58.000 0.225 0.000 1.307 431 F CB -0.545 38.666 39.000 0.351 0.000 1.019 431 F HN 0.139 nan 8.300 nan 0.000 0.489 432 H N 0.031 119.196 119.070 0.159 0.000 2.456 432 H HA -0.122 4.456 4.556 0.037 0.000 0.296 432 H C 1.536 176.726 175.328 -0.229 0.000 1.079 432 H CA 1.338 57.270 56.048 -0.193 0.000 1.322 432 H CB -0.020 29.488 29.762 -0.425 0.000 1.388 432 H HN 0.218 nan 8.280 nan 0.000 0.538 433 N N 0.693 119.334 118.700 -0.099 0.000 2.289 433 N HA -0.118 4.643 4.740 0.034 0.000 0.184 433 N C 1.825 177.243 175.510 -0.153 0.000 1.016 433 N CA 0.952 53.929 53.050 -0.121 0.000 0.872 433 N CB -0.093 38.373 38.487 -0.035 0.000 0.973 433 N HN 0.642 nan 8.380 nan 0.000 0.433 434 Q N -0.479 119.225 119.800 -0.159 0.000 2.200 434 Q HA 0.178 4.538 4.340 0.034 0.000 0.197 434 Q C -0.143 175.671 176.000 -0.311 0.000 0.953 434 Q CA 0.581 56.310 55.803 -0.124 0.000 0.851 434 Q CB 0.828 29.600 28.738 0.057 0.000 0.938 434 Q HN -0.010 nan 8.270 nan 0.000 0.488 435 V N 2.142 121.725 119.914 -0.552 0.000 2.409 435 V HA 0.149 4.289 4.120 0.034 0.000 0.290 435 V C -0.763 174.973 176.094 -0.598 0.000 1.017 435 V CA -0.456 61.454 62.300 -0.649 0.000 0.841 435 V CB 1.543 32.871 31.823 -0.825 0.000 1.003 435 V HN 0.192 nan 8.190 nan 0.000 0.426 436 E N 5.085 124.910 120.200 -0.624 0.000 2.148 436 E HA 0.189 4.559 4.350 0.034 0.000 0.308 436 E C -0.087 176.325 176.600 -0.313 0.000 1.278 436 E CA -0.283 55.650 56.400 -0.779 0.000 1.368 436 E CB -0.024 29.394 29.700 -0.469 0.000 1.229 436 E HN 0.679 nan 8.360 nan 0.000 0.494 437 F N -0.771 119.152 119.950 -0.044 0.000 2.535 437 F HA 0.130 4.674 4.527 0.029 0.000 0.332 437 F C 0.803 176.842 175.800 0.398 0.000 1.208 437 F CA -0.273 57.815 58.000 0.146 0.000 1.330 437 F CB 0.667 39.767 39.000 0.168 0.000 1.167 437 F HN -0.031 nan 8.300 nan 0.000 0.597 438 D N 0.063 120.687 120.400 0.373 0.000 2.454 438 D HA 0.254 4.915 4.640 0.034 0.000 0.214 438 D C 0.657 176.975 176.300 0.029 0.000 1.088 438 D CA 0.563 54.600 54.000 0.062 0.000 0.855 438 D CB 1.201 41.840 40.800 -0.268 0.000 1.025 438 D HN 0.757 nan 8.370 nan 0.000 0.502 439 G N 0.348 109.382 108.800 0.389 0.000 2.682 439 G HA2 0.640 4.620 3.960 0.034 0.000 0.290 439 G HA3 0.640 4.620 3.960 0.034 0.000 0.290 439 G C -1.659 173.503 174.900 0.436 0.000 1.425 439 G CA -0.597 44.766 45.100 0.438 0.000 0.807 439 G HN -0.023 nan 8.290 nan 0.000 0.482 440 I N -0.141 120.615 120.570 0.310 0.000 2.533 440 I HA 0.379 4.570 4.170 0.034 0.000 0.290 440 I C -1.497 174.760 176.117 0.233 0.000 1.056 440 I CA -0.589 60.847 61.300 0.226 0.000 1.057 440 I CB 2.721 40.793 38.000 0.120 0.000 1.240 440 I HN 0.554 nan 8.210 nan 0.000 0.423 441 W N 9.241 130.570 121.300 0.048 0.000 2.296 441 W HA 0.603 5.280 4.660 0.029 0.000 0.316 441 W C -0.958 175.610 176.519 0.083 0.000 1.022 441 W CA -1.867 55.480 57.345 0.004 0.000 1.324 441 W CB 0.765 30.217 29.460 -0.013 0.000 1.227 441 W HN 0.325 nan 8.180 nan 0.000 0.409 442 I N 3.923 124.684 120.570 0.317 0.000 2.304 442 I HA 0.448 4.638 4.170 0.034 0.000 0.291 442 I C -0.364 175.904 176.117 0.251 0.000 1.018 442 I CA -0.270 61.166 61.300 0.226 0.000 1.260 442 I CB 1.139 39.277 38.000 0.230 0.000 1.390 442 I HN 0.231 nan 8.210 nan 0.000 0.475 443 D N 5.828 126.292 120.400 0.108 0.000 2.450 443 D HA 0.502 5.162 4.640 0.034 0.000 0.238 443 D C 0.469 176.873 176.300 0.174 0.000 1.020 443 D CA -0.325 53.783 54.000 0.180 0.000 1.010 443 D CB 1.327 42.088 40.800 -0.066 0.000 1.342 443 D HN 0.636 nan 8.370 nan 0.000 0.530 444 M N 0.719 120.430 119.600 0.184 0.000 2.682 444 M HA -0.224 4.276 4.480 0.034 0.000 0.196 444 M C -0.182 176.182 176.300 0.107 0.000 0.542 444 M CA 0.477 55.862 55.300 0.142 0.000 0.593 444 M CB -2.804 29.872 32.600 0.126 0.000 2.183 444 M HN 0.573 nan 8.290 nan 0.000 0.663 445 N N -0.506 118.273 118.700 0.132 0.000 2.376 445 N HA 0.256 5.016 4.740 0.034 0.000 0.249 445 N C 0.675 176.240 175.510 0.092 0.000 1.140 445 N CA -0.049 53.097 53.050 0.160 0.000 0.870 445 N CB 0.214 38.844 38.487 0.239 0.000 1.124 445 N HN 0.256 nan 8.380 nan 0.000 0.505 446 E N -0.120 120.075 120.200 -0.009 0.000 2.110 446 E HA -0.039 4.332 4.350 0.034 0.000 0.193 446 E C 0.379 176.730 176.600 -0.414 0.000 0.988 446 E CA 0.555 56.884 56.400 -0.118 0.000 0.804 446 E CB 0.094 29.784 29.700 -0.017 0.000 0.745 446 E HN 0.278 nan 8.360 nan 0.000 0.458 447 V N 0.240 119.836 119.914 -0.530 0.000 2.567 447 V HA 0.239 4.379 4.120 0.034 0.000 0.289 447 V C -0.093 175.852 176.094 -0.249 0.000 1.049 447 V CA -0.430 61.576 62.300 -0.491 0.000 0.969 447 V CB 1.750 32.923 31.823 -1.084 0.000 0.995 447 V HN 0.123 nan 8.190 nan 0.000 0.471 448 S N 5.341 120.972 115.700 -0.115 0.000 2.513 448 S HA 0.433 4.923 4.470 0.034 0.000 0.276 448 S C -0.402 174.147 174.600 -0.086 0.000 1.254 448 S CA -0.480 57.698 58.200 -0.037 0.000 1.053 448 S CB 0.289 63.509 63.200 0.033 0.000 0.958 448 S HN 0.887 nan 8.310 nan 0.000 0.491 449 N N 3.490 122.166 118.700 -0.040 0.000 2.295 449 N HA 0.364 5.124 4.740 0.034 0.000 0.293 449 N C -0.012 175.576 175.510 0.130 0.000 1.040 449 N CA -0.786 52.246 53.050 -0.030 0.000 0.840 449 N CB 0.733 39.177 38.487 -0.071 0.000 1.468 449 N HN 0.647 nan 8.380 nan 0.000 0.478 450 F N 0.696 120.616 119.950 -0.051 0.000 2.558 450 F HA 0.006 4.553 4.527 0.033 0.000 0.298 450 F C 1.140 176.925 175.800 -0.026 0.000 1.119 450 F CA -0.188 57.770 58.000 -0.071 0.000 1.451 450 F CB 0.439 39.368 39.000 -0.119 0.000 1.091 450 F HN 0.221 nan 8.300 nan 0.000 0.563 451 V N -2.864 117.151 119.914 0.167 0.000 2.850 451 V HA 0.366 4.506 4.120 0.034 0.000 0.315 451 V C -0.604 175.548 176.094 0.098 0.000 1.064 451 V CA -1.191 61.171 62.300 0.104 0.000 0.979 451 V CB 1.608 33.473 31.823 0.070 0.000 1.039 451 V HN -0.195 nan 8.190 nan 0.000 0.452 452 D N 2.274 122.737 120.400 0.105 0.000 2.352 452 D HA 0.513 5.173 4.640 0.034 0.000 0.245 452 D C 1.082 177.476 176.300 0.156 0.000 1.224 452 D CA 1.565 55.675 54.000 0.185 0.000 0.879 452 D CB 0.769 41.715 40.800 0.244 0.000 1.057 452 D HN 1.252 nan 8.370 nan 0.000 0.491 453 G N 2.629 111.511 108.800 0.137 0.000 4.890 453 G HA2 -0.258 3.722 3.960 0.034 0.000 0.221 453 G HA3 -0.258 3.722 3.960 0.034 0.000 0.221 453 G C 0.327 175.207 174.900 -0.033 0.000 1.472 453 G CA 0.484 45.600 45.100 0.028 0.000 0.962 453 G HN 1.183 nan 8.290 nan 0.000 0.671 454 S N -1.910 113.771 115.700 -0.030 0.000 2.636 454 S HA 0.578 5.069 4.470 0.034 0.000 0.266 454 S C 1.023 175.619 174.600 -0.006 0.000 1.147 454 S CA 0.509 58.704 58.200 -0.009 0.000 0.815 454 S CB 1.072 64.259 63.200 -0.023 0.000 1.119 454 S HN 1.918 nan 8.310 nan 0.000 0.470 455 V N -0.507 119.409 119.914 0.003 0.000 3.026 455 V HA 0.123 4.264 4.120 0.034 0.000 0.265 455 V C 1.064 177.145 176.094 -0.022 0.000 1.121 455 V CA 1.821 64.117 62.300 -0.006 0.000 1.142 455 V CB -1.117 30.700 31.823 -0.011 0.000 0.730 455 V HN 0.738 nan 8.190 nan 0.000 0.503 456 S N 0.272 115.952 115.700 -0.035 0.000 2.601 456 S HA 0.588 5.078 4.470 0.034 0.000 0.244 456 S C 1.103 175.657 174.600 -0.076 0.000 1.001 456 S CA 0.269 58.441 58.200 -0.047 0.000 0.984 456 S CB 0.093 63.267 63.200 -0.043 0.000 0.842 456 S HN 1.394 nan 8.310 nan 0.000 0.474 457 G N 1.066 109.812 108.800 -0.089 0.000 2.575 457 G HA2 -0.276 3.704 3.960 0.034 0.000 0.267 457 G HA3 -0.276 3.704 3.960 0.034 0.000 0.267 457 G C -0.232 174.520 174.900 -0.247 0.000 1.264 457 G CA -0.073 44.930 45.100 -0.161 0.000 0.935 457 G HN 0.608 nan 8.290 nan 0.000 0.568 458 C N -0.499 118.559 119.300 -0.404 0.000 2.547 458 C HA 0.720 5.200 4.460 0.034 0.000 0.313 458 C C 0.699 175.501 174.990 -0.313 0.000 1.191 458 C CA -0.124 58.628 59.018 -0.443 0.000 1.474 458 C CB 1.262 28.467 27.740 -0.892 0.000 2.081 458 C HN 0.962 nan 8.230 nan 0.000 0.476 459 S N 1.918 117.505 115.700 -0.188 0.000 2.560 459 S HA 0.149 4.639 4.470 0.034 0.000 0.284 459 S C 0.397 174.940 174.600 -0.095 0.000 1.327 459 S CA 0.079 58.211 58.200 -0.114 0.000 1.055 459 S CB 0.251 63.408 63.200 -0.071 0.000 0.868 459 S HN 0.815 nan 8.310 nan 0.000 0.506 460 T N 4.940 119.464 114.554 -0.049 0.000 2.799 460 T HA 0.381 4.751 4.350 0.034 0.000 0.296 460 T C 0.242 174.944 174.700 0.004 0.000 0.947 460 T CA -0.420 61.680 62.100 0.001 0.000 1.141 460 T CB -0.422 68.458 68.868 0.020 0.000 0.891 460 T HN 0.838 nan 8.240 nan 0.000 0.533 461 N N 1.427 120.139 118.700 0.020 0.000 3.339 461 N HA 0.162 4.922 4.740 0.034 0.000 0.275 461 N C 0.296 175.816 175.510 0.017 0.000 1.514 461 N CA -0.988 52.068 53.050 0.009 0.000 0.879 461 N CB 0.248 38.728 38.487 -0.011 0.000 1.557 461 N HN 0.279 nan 8.380 nan 0.000 0.524 462 N N -0.329 118.364 118.700 -0.011 0.000 2.494 462 N HA -0.012 4.748 4.740 0.034 0.000 0.182 462 N C 0.593 176.060 175.510 -0.072 0.000 1.076 462 N CA 0.604 53.642 53.050 -0.020 0.000 0.908 462 N CB 0.042 38.509 38.487 -0.033 0.000 0.967 462 N HN 0.573 nan 8.380 nan 0.000 0.449 463 L N 0.537 121.703 121.223 -0.094 0.000 2.130 463 L HA 0.058 4.418 4.340 0.034 0.000 0.200 463 L C 1.670 178.625 176.870 0.142 0.000 1.075 463 L CA 0.913 55.675 54.840 -0.130 0.000 0.768 463 L CB -0.570 41.405 42.059 -0.140 0.000 0.933 463 L HN 0.080 nan 8.230 nan 0.000 0.451 464 N N -0.011 118.773 118.700 0.140 0.000 2.309 464 N HA -0.082 4.678 4.740 0.034 0.000 0.182 464 N C 0.094 175.813 175.510 0.348 0.000 1.018 464 N CA 0.665 53.883 53.050 0.281 0.000 0.876 464 N CB 0.116 38.671 38.487 0.112 0.000 0.972 464 N HN 0.301 nan 8.380 nan 0.000 0.434 465 N N 0.807 119.628 118.700 0.203 0.000 2.790 465 N HA 0.206 4.967 4.740 0.034 0.000 0.256 465 N C -2.881 172.680 175.510 0.085 0.000 1.409 465 N CA -0.795 52.349 53.050 0.157 0.000 0.799 465 N CB 1.800 40.387 38.487 0.167 0.000 1.170 465 N HN 0.103 nan 8.380 nan 0.000 0.507 466 P HA 0.251 nan 4.420 nan 0.000 0.276 466 P C -1.712 175.629 177.300 0.068 0.000 1.252 466 P CA -0.839 62.315 63.100 0.090 0.000 0.802 466 P CB 0.838 32.637 31.700 0.166 0.000 1.035 467 P HA -0.058 nan 4.420 nan 0.000 0.218 467 P C 0.071 177.450 177.300 0.133 0.000 1.148 467 P CA 1.437 64.640 63.100 0.173 0.000 0.822 467 P CB 0.023 31.883 31.700 0.266 0.000 0.784 468 F N -0.126 119.731 119.950 -0.155 0.000 2.539 468 F HA 0.463 5.011 4.527 0.034 0.000 0.318 468 F C -0.969 174.714 175.800 -0.194 0.000 1.135 468 F CA -0.668 57.101 58.000 -0.386 0.000 0.915 468 F CB 1.683 40.221 39.000 -0.770 0.000 1.176 468 F HN -0.430 nan 8.300 nan 0.000 0.440 469 T N 7.539 121.447 114.554 -1.077 0.000 2.770 469 T HA 0.424 4.794 4.350 0.034 0.000 0.283 469 T C -2.589 171.428 174.700 -1.138 0.000 0.988 469 T CA -1.270 60.330 62.100 -0.834 0.000 0.957 469 T CB 1.447 69.965 68.868 -0.582 0.000 0.930 469 T HN 0.304 nan 8.240 nan 0.000 0.443 470 P HA 0.094 nan 4.420 nan 0.000 0.271 470 P C 0.222 177.329 177.300 -0.322 0.000 1.238 470 P CA -0.507 62.382 63.100 -0.352 0.000 0.794 470 P CB 0.425 32.062 31.700 -0.105 0.000 0.959 471 R N 1.831 122.227 120.500 -0.174 0.000 4.779 471 R HA 0.194 4.554 4.340 0.034 0.000 0.217 471 R C 0.527 176.758 176.300 -0.115 0.000 1.934 471 R CA -0.195 55.809 56.100 -0.159 0.000 1.623 471 R CB -1.350 28.881 30.300 -0.116 0.000 1.364 471 R HN 0.431 nan 8.270 nan 0.000 0.799 472 I N -1.830 118.656 120.570 -0.140 0.000 2.882 472 I HA 0.116 4.306 4.170 0.034 0.000 0.286 472 I C 0.304 176.382 176.117 -0.066 0.000 1.139 472 I CA -1.038 60.220 61.300 -0.070 0.000 1.379 472 I CB 0.386 38.325 38.000 -0.100 0.000 1.410 472 I HN 0.102 nan 8.210 nan 0.000 0.594 473 L N 5.955 127.173 121.223 -0.009 0.000 2.601 473 L HA -0.018 4.342 4.340 0.034 0.000 0.277 473 L C 0.415 177.272 176.870 -0.021 0.000 1.219 473 L CA 1.276 56.112 54.840 -0.007 0.000 0.915 473 L CB -0.770 41.303 42.059 0.023 0.000 1.160 473 L HN 0.881 nan 8.230 nan 0.000 0.494 474 D N 2.750 123.138 120.400 -0.020 0.000 2.653 474 D HA -0.224 4.436 4.640 0.034 0.000 0.184 474 D C 1.120 177.421 176.300 0.002 0.000 0.993 474 D CA 1.447 55.452 54.000 0.008 0.000 1.027 474 D CB -1.333 39.482 40.800 0.025 0.000 1.089 474 D HN 1.277 nan 8.370 nan 0.000 0.447 475 G N -0.104 108.618 108.800 -0.129 0.000 2.162 475 G HA2 -0.343 3.637 3.960 0.034 0.000 0.260 475 G HA3 -0.343 3.637 3.960 0.034 0.000 0.260 475 G C -0.068 174.499 174.900 -0.556 0.000 0.976 475 G CA 0.841 45.749 45.100 -0.319 0.000 0.655 475 G HN 0.482 nan 8.290 nan 0.000 0.533 476 Y N -1.071 119.006 120.300 -0.371 0.000 2.406 476 Y HA 0.554 5.124 4.550 0.034 0.000 0.340 476 Y C 1.518 177.045 175.900 -0.622 0.000 0.975 476 Y CA -1.065 56.686 58.100 -0.581 0.000 1.056 476 Y CB 1.418 39.322 38.460 -0.926 0.000 1.210 476 Y HN -0.067 nan 8.280 nan 0.000 0.448 477 L N 1.903 122.866 121.223 -0.434 0.000 2.079 477 L HA -0.251 4.109 4.340 0.034 0.000 0.210 477 L C 1.776 178.574 176.870 -0.120 0.000 1.081 477 L CA 1.805 56.397 54.840 -0.414 0.000 0.752 477 L CB -0.421 41.410 42.059 -0.379 0.000 0.896 477 L HN 0.746 nan 8.230 nan 0.000 0.433 478 F N -1.876 118.110 119.950 0.060 0.000 2.811 478 F HA 0.162 4.709 4.527 0.033 0.000 0.301 478 F C 1.192 177.025 175.800 0.054 0.000 1.151 478 F CA -1.503 56.532 58.000 0.059 0.000 1.412 478 F CB -1.683 37.338 39.000 0.035 0.000 1.113 478 F HN -0.077 nan 8.300 nan 0.000 0.579 479 C N 4.706 123.896 119.300 -0.183 0.000 2.638 479 C HA 0.111 4.591 4.460 0.034 0.000 0.410 479 C C 1.187 176.216 174.990 0.064 0.000 1.404 479 C CA -0.481 58.505 59.018 -0.053 0.000 1.651 479 C CB -1.260 26.424 27.740 -0.093 0.000 2.495 479 C HN 0.630 nan 8.230 nan 0.000 0.606 480 K N 3.533 123.988 120.400 0.092 0.000 3.069 480 K HA -0.172 4.168 4.320 0.034 0.000 0.267 480 K C 0.120 176.769 176.600 0.081 0.000 1.082 480 K CA 1.414 57.761 56.287 0.099 0.000 0.782 480 K CB -2.042 30.519 32.500 0.100 0.000 1.230 480 K HN 0.992 nan 8.250 nan 0.000 0.488 481 T N -1.797 112.804 114.554 0.077 0.000 2.587 481 T HA 0.659 5.029 4.350 0.034 0.000 0.282 481 T C -0.772 173.905 174.700 -0.038 0.000 1.018 481 T CA -0.772 61.338 62.100 0.017 0.000 1.120 481 T CB 0.902 69.856 68.868 0.144 0.000 1.538 481 T HN 0.087 nan 8.240 nan 0.000 0.480 482 L N 1.233 122.401 121.223 -0.091 0.000 2.421 482 L HA 0.458 4.818 4.340 0.034 0.000 0.263 482 L C 0.479 177.374 176.870 0.042 0.000 1.122 482 L CA -1.061 53.705 54.840 -0.123 0.000 0.804 482 L CB 0.682 42.597 42.059 -0.239 0.000 1.150 482 L HN 0.694 nan 8.230 nan 0.000 0.457 483 C N 2.137 121.441 119.300 0.006 0.000 2.563 483 C HA -0.042 4.438 4.460 0.034 0.000 0.411 483 C C 2.043 177.090 174.990 0.095 0.000 1.386 483 C CA -0.469 58.565 59.018 0.027 0.000 1.703 483 C CB 0.138 27.851 27.740 -0.044 0.000 2.596 483 C HN 0.736 nan 8.230 nan 0.000 0.605 484 M N 2.640 122.337 119.600 0.162 0.000 2.460 484 M HA -0.054 4.447 4.480 0.034 0.000 0.263 484 M C 1.433 177.826 176.300 0.154 0.000 1.071 484 M CA 1.407 56.834 55.300 0.212 0.000 1.096 484 M CB -0.961 31.830 32.600 0.319 0.000 1.408 484 M HN 0.808 nan 8.290 nan 0.000 0.463 485 D N -0.561 119.886 120.400 0.080 0.000 2.342 485 D HA 0.269 4.929 4.640 0.034 0.000 0.221 485 D C 0.509 176.834 176.300 0.041 0.000 1.101 485 D CA -0.106 53.922 54.000 0.046 0.000 0.837 485 D CB -0.417 40.389 40.800 0.010 0.000 0.938 485 D HN 0.073 nan 8.370 nan 0.000 0.508 486 A N 0.024 122.872 122.820 0.048 0.000 2.406 486 A HA 0.465 4.805 4.320 0.034 0.000 0.243 486 A C -0.094 177.528 177.584 0.063 0.000 1.082 486 A CA -0.343 51.722 52.037 0.046 0.000 0.786 486 A CB 0.737 19.756 19.000 0.033 0.000 1.029 486 A HN 0.130 nan 8.150 nan 0.000 0.495 487 V N 1.891 121.844 119.914 0.065 0.000 2.588 487 V HA 0.440 4.580 4.120 0.034 0.000 0.304 487 V C -0.115 176.027 176.094 0.081 0.000 1.042 487 V CA -0.306 62.037 62.300 0.071 0.000 0.877 487 V CB 1.496 33.355 31.823 0.059 0.000 0.996 487 V HN 1.066 nan 8.190 nan 0.000 0.425 488 Q N 1.374 121.229 119.800 0.091 0.000 2.528 488 Q HA 0.412 4.772 4.340 0.034 0.000 0.289 488 Q C 0.724 176.801 176.000 0.129 0.000 1.091 488 Q CA -0.835 55.022 55.803 0.089 0.000 0.797 488 Q CB 2.076 30.858 28.738 0.074 0.000 1.466 488 Q HN 0.838 nan 8.270 nan 0.000 0.436 489 H N 0.269 119.339 119.070 0.000 0.000 2.319 489 H HA -0.152 4.425 4.556 0.034 0.000 0.297 489 H C 0.698 176.170 175.328 0.240 0.000 1.097 489 H CA 1.999 58.080 56.048 0.055 0.000 1.285 489 H CB 0.374 30.112 29.762 -0.039 0.000 1.368 489 H HN 0.623 nan 8.280 nan 0.000 0.495 490 W N 0.875 122.201 121.300 0.044 0.000 2.800 490 W HA 0.260 4.941 4.660 0.034 0.000 0.249 490 W C 1.180 177.767 176.519 0.114 0.000 1.294 490 W CA 1.265 58.637 57.345 0.044 0.000 1.402 490 W CB -0.302 29.240 29.460 0.136 0.000 1.126 490 W HN 0.442 nan 8.180 nan 0.000 0.652 491 G N -0.151 108.816 108.800 0.279 0.000 2.339 491 G HA2 0.046 4.026 3.960 0.034 0.000 0.275 491 G HA3 0.046 4.026 3.960 0.034 0.000 0.275 491 G C -0.830 174.133 174.900 0.106 0.000 1.323 491 G CA -0.966 44.240 45.100 0.177 0.000 0.927 491 G HN -0.052 nan 8.290 nan 0.000 0.486 492 K N -0.264 120.170 120.400 0.057 0.000 2.154 492 K HA 0.512 4.852 4.320 0.034 0.000 0.264 492 K C 1.059 177.702 176.600 0.071 0.000 1.008 492 K CA -0.102 56.225 56.287 0.066 0.000 0.937 492 K CB 1.773 34.311 32.500 0.064 0.000 1.002 492 K HN 0.465 nan 8.250 nan 0.000 0.469 493 Q N 1.359 121.225 119.800 0.110 0.000 2.181 493 Q HA -0.259 4.101 4.340 0.034 0.000 0.205 493 Q C 1.601 177.705 176.000 0.173 0.000 0.980 493 Q CA 1.719 57.607 55.803 0.142 0.000 0.862 493 Q CB -0.524 28.301 28.738 0.144 0.000 0.905 493 Q HN 0.782 nan 8.270 nan 0.000 0.429 494 Y N 0.539 120.864 120.300 0.042 0.000 2.139 494 Y HA -0.290 4.280 4.550 0.034 0.000 0.282 494 Y C 1.359 177.242 175.900 -0.028 0.000 1.179 494 Y CA 2.353 60.472 58.100 0.033 0.000 1.161 494 Y CB -0.011 38.449 38.460 0.000 0.000 0.970 494 Y HN 0.258 nan 8.280 nan 0.000 0.511 495 D N -0.515 119.840 120.400 -0.075 0.000 2.277 495 D HA 0.013 4.673 4.640 0.034 0.000 0.209 495 D C 1.635 177.662 176.300 -0.457 0.000 0.970 495 D CA 1.544 55.243 54.000 -0.501 0.000 0.874 495 D CB 0.054 40.157 40.800 -1.161 0.000 0.982 495 D HN 0.649 nan 8.370 nan 0.000 0.504 496 I N -2.339 118.121 120.570 -0.182 0.000 4.081 496 I HA 0.180 4.370 4.170 0.034 0.000 0.333 496 I C 1.799 177.963 176.117 0.079 0.000 1.413 496 I CA -0.313 60.988 61.300 0.001 0.000 1.110 496 I CB 0.047 38.142 38.000 0.158 0.000 1.082 496 I HN -0.140 nan 8.210 nan 0.000 0.402 497 H N 2.859 121.917 119.070 -0.021 0.000 2.319 497 H HA -0.188 4.388 4.556 0.034 0.000 0.299 497 H C 1.140 176.415 175.328 -0.089 0.000 1.092 497 H CA 2.465 58.480 56.048 -0.056 0.000 1.302 497 H CB -0.127 29.560 29.762 -0.125 0.000 1.373 497 H HN 0.556 nan 8.280 nan 0.000 0.497 498 N N 0.136 118.813 118.700 -0.039 0.000 2.585 498 N HA -0.073 4.687 4.740 0.034 0.000 0.188 498 N C 1.256 176.729 175.510 -0.062 0.000 1.102 498 N CA 0.208 53.229 53.050 -0.049 0.000 0.920 498 N CB 0.127 38.682 38.487 0.114 0.000 0.963 498 N HN 0.367 nan 8.380 nan 0.000 0.447 499 L N -0.855 120.327 121.223 -0.068 0.000 2.640 499 L HA 0.076 4.436 4.340 0.034 0.000 0.230 499 L C 1.396 178.347 176.870 0.135 0.000 1.123 499 L CA -0.149 54.714 54.840 0.038 0.000 0.900 499 L CB -0.153 41.995 42.059 0.148 0.000 1.146 499 L HN 0.189 nan 8.230 nan 0.000 0.484 500 Y N 1.414 121.684 120.300 -0.050 0.000 2.163 500 Y HA -0.130 4.440 4.550 0.033 0.000 0.288 500 Y C 2.362 178.237 175.900 -0.042 0.000 1.136 500 Y CA 1.860 59.925 58.100 -0.058 0.000 1.147 500 Y CB -0.083 38.300 38.460 -0.128 0.000 0.987 500 Y HN 0.123 nan 8.280 nan 0.000 0.509 501 G N -1.298 107.613 108.800 0.186 0.000 2.408 501 G HA2 -0.347 3.633 3.960 0.034 0.000 0.217 501 G HA3 -0.347 3.633 3.960 0.034 0.000 0.217 501 G C 1.506 176.442 174.900 0.060 0.000 1.150 501 G CA 0.936 46.108 45.100 0.119 0.000 0.776 501 G HN 0.567 nan 8.290 nan 0.000 0.542 502 Y N 2.857 123.160 120.300 0.006 0.000 2.114 502 Y HA -0.234 4.337 4.550 0.034 0.000 0.284 502 Y C 3.135 178.946 175.900 -0.148 0.000 1.143 502 Y CA 2.098 60.206 58.100 0.014 0.000 1.135 502 Y CB -0.445 38.104 38.460 0.149 0.000 0.980 502 Y HN 0.305 nan 8.280 nan 0.000 0.499 503 S N -0.019 115.548 115.700 -0.221 0.000 2.382 503 S HA -0.291 4.200 4.470 0.034 0.000 0.228 503 S C 2.191 176.440 174.600 -0.585 0.000 1.027 503 S CA 1.411 59.327 58.200 -0.472 0.000 0.991 503 S CB -0.846 62.031 63.200 -0.538 0.000 0.823 503 S HN 0.684 nan 8.310 nan 0.000 0.469 504 M N 1.693 120.885 119.600 -0.679 0.000 2.132 504 M HA 0.005 4.505 4.480 0.034 0.000 0.263 504 M C 2.373 178.319 176.300 -0.591 0.000 1.065 504 M CA 1.651 56.333 55.300 -1.029 0.000 1.122 504 M CB -0.579 31.415 32.600 -1.011 0.000 1.365 504 M HN 0.486 nan 8.290 nan 0.000 0.411 505 A N -0.242 122.348 122.820 -0.384 0.000 1.908 505 A HA -0.133 4.207 4.320 0.034 0.000 0.218 505 A C 2.036 179.348 177.584 -0.453 0.000 1.181 505 A CA 1.961 53.841 52.037 -0.261 0.000 0.627 505 A CB -1.204 17.725 19.000 -0.118 0.000 0.818 505 A HN 0.427 nan 8.150 nan 0.000 0.445 506 V N -0.191 119.231 119.914 -0.819 0.000 2.287 506 V HA -0.282 3.859 4.120 0.034 0.000 0.248 506 V C 3.041 178.859 176.094 -0.459 0.000 1.053 506 V CA 2.122 63.800 62.300 -1.037 0.000 1.027 506 V CB -1.244 29.962 31.823 -1.029 0.000 0.646 506 V HN 0.629 nan 8.190 nan 0.000 0.447 507 A N -0.556 122.064 122.820 -0.334 0.000 1.930 507 A HA -0.175 4.165 4.320 0.034 0.000 0.217 507 A C 2.372 180.045 177.584 0.149 0.000 1.175 507 A CA 2.236 54.226 52.037 -0.078 0.000 0.627 507 A CB -0.802 18.153 19.000 -0.075 0.000 0.815 507 A HN 0.513 nan 8.150 nan 0.000 0.443 508 T N 0.227 114.853 114.554 0.119 0.000 2.857 508 T HA 0.056 4.426 4.350 0.034 0.000 0.266 508 T C 2.230 176.963 174.700 0.054 0.000 1.048 508 T CA 1.283 63.527 62.100 0.240 0.000 1.139 508 T CB -0.372 68.636 68.868 0.234 0.000 0.874 508 T HN 0.566 nan 8.240 nan 0.000 0.455 509 A N 1.547 124.380 122.820 0.021 0.000 1.908 509 A HA -0.149 4.191 4.320 0.034 0.000 0.218 509 A C 2.198 179.821 177.584 0.065 0.000 1.181 509 A CA 2.017 54.096 52.037 0.071 0.000 0.627 509 A CB -0.609 18.506 19.000 0.191 0.000 0.818 509 A HN 0.471 nan 8.150 nan 0.000 0.445 510 E N 0.233 120.459 120.200 0.043 0.000 2.051 510 E HA -0.095 4.275 4.350 0.034 0.000 0.192 510 E C 2.051 178.679 176.600 0.047 0.000 0.991 510 E CA 1.674 58.105 56.400 0.051 0.000 0.799 510 E CB -0.493 29.233 29.700 0.044 0.000 0.748 510 E HN 0.477 nan 8.360 nan 0.000 0.449 511 A N 0.817 123.671 122.820 0.057 0.000 1.908 511 A HA -0.137 4.204 4.320 0.034 0.000 0.218 511 A C 2.452 179.989 177.584 -0.079 0.000 1.181 511 A CA 2.216 54.238 52.037 -0.025 0.000 0.627 511 A CB -1.116 17.806 19.000 -0.131 0.000 0.818 511 A HN 0.406 nan 8.150 nan 0.000 0.445 512 A N -0.119 122.691 122.820 -0.016 0.000 1.978 512 A HA -0.200 4.140 4.320 0.034 0.000 0.220 512 A C 2.034 179.668 177.584 0.084 0.000 1.170 512 A CA 1.844 53.955 52.037 0.123 0.000 0.636 512 A CB -0.475 18.654 19.000 0.215 0.000 0.810 512 A HN 0.597 nan 8.150 nan 0.000 0.448 513 K N -1.058 119.368 120.400 0.043 0.000 2.160 513 K HA -0.129 4.211 4.320 0.034 0.000 0.206 513 K C 1.832 178.421 176.600 -0.018 0.000 1.047 513 K CA 1.838 58.141 56.287 0.027 0.000 0.930 513 K CB -0.271 32.245 32.500 0.028 0.000 0.720 513 K HN 0.506 nan 8.250 nan 0.000 0.450 514 T N 0.092 114.608 114.554 -0.064 0.000 2.983 514 T HA 0.005 4.375 4.350 0.034 0.000 0.250 514 T C 1.960 176.528 174.700 -0.220 0.000 1.037 514 T CA 0.446 62.480 62.100 -0.109 0.000 1.142 514 T CB 0.192 69.004 68.868 -0.094 0.000 0.876 514 T HN -0.086 nan 8.240 nan 0.000 0.455 515 V N 0.600 120.295 119.914 -0.365 0.000 2.591 515 V HA 0.090 4.230 4.120 0.034 0.000 0.249 515 V C 0.385 175.862 176.094 -1.028 0.000 1.053 515 V CA 1.169 63.002 62.300 -0.779 0.000 1.068 515 V CB -0.442 30.771 31.823 -1.016 0.000 0.689 515 V HN 0.408 nan 8.190 nan 0.000 0.462 516 F N 0.146 119.975 119.950 -0.201 0.000 2.523 516 F HA 0.463 5.009 4.527 0.031 0.000 0.322 516 F C -2.623 173.126 175.800 -0.085 0.000 1.361 516 F CA -3.179 54.731 58.000 -0.149 0.000 1.151 516 F CB -0.032 38.906 39.000 -0.104 0.000 1.391 516 F HN 0.016 nan 8.300 nan 0.000 0.566 517 P HA 0.047 nan 4.420 nan 0.000 0.263 517 P C 0.245 177.571 177.300 0.043 0.000 1.195 517 P CA 0.701 63.812 63.100 0.018 0.000 0.762 517 P CB 0.360 32.052 31.700 -0.014 0.000 0.799 518 N N -0.293 118.433 118.700 0.043 0.000 2.828 518 N HA -0.162 4.598 4.740 0.034 0.000 0.248 518 N C -0.212 175.321 175.510 0.038 0.000 1.044 518 N CA 1.292 54.364 53.050 0.037 0.000 0.851 518 N CB -0.890 37.614 38.487 0.027 0.000 1.136 518 N HN 0.450 nan 8.380 nan 0.000 0.572 519 K N 0.645 121.082 120.400 0.061 0.000 2.221 519 K HA 0.392 4.733 4.320 0.034 0.000 0.243 519 K C 1.385 177.998 176.600 0.022 0.000 0.968 519 K CA -0.621 55.693 56.287 0.045 0.000 0.846 519 K CB 1.275 33.820 32.500 0.075 0.000 1.141 519 K HN 0.041 nan 8.250 nan 0.000 0.434 520 R N 0.456 120.939 120.500 -0.029 0.000 2.090 520 R HA -0.058 4.302 4.340 0.034 0.000 0.228 520 R C 1.008 177.252 176.300 -0.093 0.000 1.110 520 R CA 0.933 56.990 56.100 -0.071 0.000 0.973 520 R CB -0.084 30.138 30.300 -0.131 0.000 0.869 520 R HN 0.885 nan 8.270 nan 0.000 0.440 521 S N -0.676 114.949 115.700 -0.124 0.000 3.525 521 S HA -0.313 4.177 4.470 0.034 0.000 0.629 521 S C -0.551 174.005 174.600 -0.072 0.000 2.621 521 S CA 1.165 59.254 58.200 -0.185 0.000 3.752 521 S CB -0.776 62.110 63.200 -0.524 0.000 0.260 521 S HN 0.318 nan 8.310 nan 0.000 1.214 522 F N 0.614 120.450 119.950 -0.191 0.000 2.639 522 F HA 0.719 5.267 4.527 0.034 0.000 0.320 522 F C -1.274 174.489 175.800 -0.060 0.000 1.128 522 F CA -0.688 57.194 58.000 -0.197 0.000 1.037 522 F CB 0.880 39.739 39.000 -0.235 0.000 1.288 522 F HN 0.576 nan 8.300 nan 0.000 0.463 523 I N 7.067 127.225 120.570 -0.687 0.000 2.447 523 I HA 0.410 4.600 4.170 0.034 0.000 0.287 523 I C -1.589 174.033 176.117 -0.825 0.000 1.023 523 I CA -1.000 59.983 61.300 -0.528 0.000 1.083 523 I CB 1.942 39.823 38.000 -0.199 0.000 1.245 523 I HN 0.503 nan 8.210 nan 0.000 0.434 524 L N 6.381 127.208 121.223 -0.660 0.000 2.305 524 L HA 0.604 4.964 4.340 0.034 0.000 0.284 524 L C -0.288 176.632 176.870 0.084 0.000 1.013 524 L CA 0.292 54.861 54.840 -0.451 0.000 0.819 524 L CB 1.702 43.448 42.059 -0.520 0.000 1.227 524 L HN 0.577 nan 8.230 nan 0.000 0.417 525 T N 3.847 118.511 114.554 0.183 0.000 2.863 525 T HA 0.415 4.785 4.350 0.034 0.000 0.285 525 T C 0.745 175.693 174.700 0.415 0.000 1.009 525 T CA -0.438 61.851 62.100 0.315 0.000 0.989 525 T CB 1.535 70.501 68.868 0.162 0.000 1.004 525 T HN 0.832 nan 8.240 nan 0.000 0.455 526 R N 2.318 123.006 120.500 0.313 0.000 2.048 526 R HA 0.236 4.596 4.340 0.034 0.000 0.224 526 R C 0.891 177.196 176.300 0.009 0.000 1.163 526 R CA 0.416 56.425 56.100 -0.150 0.000 0.956 526 R CB -0.318 29.786 30.300 -0.326 0.000 0.849 526 R HN 0.547 nan 8.270 nan 0.000 0.435 527 S N 0.071 115.819 115.700 0.080 0.000 2.565 527 S HA 0.230 4.721 4.470 0.034 0.000 0.274 527 S C -0.544 174.120 174.600 0.106 0.000 1.309 527 S CA -0.268 57.997 58.200 0.109 0.000 1.043 527 S CB 1.012 64.283 63.200 0.118 0.000 0.939 527 S HN 0.461 nan 8.310 nan 0.000 0.504 528 T N 1.762 116.381 114.554 0.108 0.000 2.864 528 T HA 0.739 5.110 4.350 0.034 0.000 0.299 528 T C -1.098 173.748 174.700 0.243 0.000 1.166 528 T CA -0.691 61.507 62.100 0.165 0.000 1.007 528 T CB 1.276 70.195 68.868 0.086 0.000 1.219 528 T HN 0.483 nan 8.240 nan 0.000 0.506 529 F N 0.729 120.740 119.950 0.102 0.000 2.675 529 F HA 0.764 5.311 4.527 0.033 0.000 0.324 529 F C -0.146 175.663 175.800 0.015 0.000 1.106 529 F CA -0.950 57.056 58.000 0.011 0.000 0.970 529 F CB 1.361 40.303 39.000 -0.097 0.000 1.385 529 F HN 1.050 nan 8.300 nan 0.000 0.489 530 A N 1.552 123.893 122.820 -0.798 0.000 2.573 530 A HA 0.398 4.738 4.320 0.034 0.000 0.250 530 A C 1.106 178.662 177.584 -0.046 0.000 1.049 530 A CA 1.157 52.930 52.037 -0.441 0.000 0.767 530 A CB -1.355 17.309 19.000 -0.559 0.000 0.965 530 A HN 2.103 nan 8.150 nan 0.000 0.514 531 G N 1.761 110.538 108.800 -0.037 0.000 2.176 531 G HA2 -0.263 3.717 3.960 0.034 0.000 0.232 531 G HA3 -0.263 3.717 3.960 0.034 0.000 0.232 531 G C 1.281 176.353 174.900 0.287 0.000 0.986 531 G CA 0.762 45.932 45.100 0.118 0.000 0.643 531 G HN 1.062 nan 8.290 nan 0.000 0.522 532 S N 0.366 116.281 115.700 0.357 0.000 2.400 532 S HA 0.010 4.500 4.470 0.034 0.000 0.232 532 S C 2.545 177.289 174.600 0.240 0.000 1.025 532 S CA 1.859 60.321 58.200 0.436 0.000 0.993 532 S CB -0.525 62.887 63.200 0.353 0.000 0.808 532 S HN 1.357 nan 8.310 nan 0.000 0.478 533 G N 1.507 110.373 108.800 0.110 0.000 2.499 533 G HA2 -0.283 3.697 3.960 0.034 0.000 0.221 533 G HA3 -0.283 3.697 3.960 0.034 0.000 0.221 533 G C 1.220 176.044 174.900 -0.128 0.000 1.109 533 G CA 1.068 46.176 45.100 0.013 0.000 0.749 533 G HN 0.530 nan 8.290 nan 0.000 0.568 534 K N -0.619 119.605 120.400 -0.292 0.000 2.360 534 K HA 0.003 4.344 4.320 0.034 0.000 0.201 534 K C 1.303 177.410 176.600 -0.822 0.000 1.046 534 K CA 0.946 56.854 56.287 -0.632 0.000 0.945 534 K CB -0.135 31.821 32.500 -0.906 0.000 0.750 534 K HN 0.420 nan 8.250 nan 0.000 0.464 535 F N -0.829 119.095 119.950 -0.042 0.000 2.711 535 F HA 0.397 4.943 4.527 0.033 0.000 0.296 535 F C 0.399 176.140 175.800 -0.098 0.000 1.096 535 F CA -0.340 57.619 58.000 -0.068 0.000 1.280 535 F CB 0.834 39.785 39.000 -0.083 0.000 1.060 535 F HN -0.070 nan 8.300 nan 0.000 0.608 536 A N 0.096 122.943 122.820 0.044 0.000 2.594 536 A HA 0.838 5.179 4.320 0.034 0.000 0.295 536 A C -0.815 176.715 177.584 -0.091 0.000 1.071 536 A CA -0.411 51.593 52.037 -0.055 0.000 0.685 536 A CB 0.515 19.519 19.000 0.007 0.000 1.285 536 A HN 0.133 nan 8.150 nan 0.000 0.405 537 A N 0.263 122.940 122.820 -0.237 0.000 2.259 537 A HA 0.714 5.055 4.320 0.034 0.000 0.278 537 A C -0.180 177.329 177.584 -0.124 0.000 1.107 537 A CA 0.132 52.036 52.037 -0.221 0.000 0.828 537 A CB 0.262 19.000 19.000 -0.437 0.000 1.111 537 A HN 1.666 nan 8.150 nan 0.000 0.498 538 H N -1.685 117.241 119.070 -0.240 0.000 2.851 538 H HA 0.550 5.127 4.556 0.034 0.000 0.372 538 H C -1.280 173.973 175.328 -0.124 0.000 1.158 538 H CA -0.834 55.098 56.048 -0.194 0.000 1.159 538 H CB 1.060 30.614 29.762 -0.347 0.000 1.757 538 H HN 0.861 nan 8.280 nan 0.000 0.546 539 W N 5.313 126.085 121.300 -0.879 0.000 2.799 539 W HA 0.473 5.156 4.660 0.039 0.000 0.349 539 W C -0.985 174.937 176.519 -0.995 0.000 1.100 539 W CA -1.173 55.749 57.345 -0.705 0.000 1.174 539 W CB 0.997 30.298 29.460 -0.266 0.000 1.427 539 W HN 0.491 nan 8.180 nan 0.000 0.547 540 L N 3.814 124.644 121.223 -0.655 0.000 2.627 540 L HA 0.350 4.710 4.340 0.034 0.000 0.233 540 L C 1.123 177.747 176.870 -0.409 0.000 1.144 540 L CA 0.782 55.323 54.840 -0.499 0.000 0.892 540 L CB -1.168 40.814 42.059 -0.129 0.000 1.039 540 L HN 1.015 nan 8.230 nan 0.000 0.442 541 G N 0.153 108.386 108.800 -0.945 0.000 2.548 541 G HA2 -0.213 3.767 3.960 0.034 0.000 0.208 541 G HA3 -0.213 3.767 3.960 0.034 0.000 0.208 541 G C -0.879 173.981 174.900 -0.068 0.000 1.308 541 G CA -0.668 43.998 45.100 -0.724 0.000 0.924 541 G HN 0.138 nan 8.290 nan 0.000 0.540 542 D N 2.418 122.853 120.400 0.060 0.000 2.551 542 D HA 0.281 4.941 4.640 0.034 0.000 0.223 542 D C 1.245 177.738 176.300 0.321 0.000 1.144 542 D CA 0.069 54.115 54.000 0.077 0.000 1.025 542 D CB -0.405 40.471 40.800 0.127 0.000 1.085 542 D HN 0.630 nan 8.370 nan 0.000 0.506 543 N N -0.084 118.818 118.700 0.338 0.000 2.328 543 N HA 0.228 4.988 4.740 0.034 0.000 0.277 543 N C -0.152 175.576 175.510 0.364 0.000 1.286 543 N CA -0.238 53.030 53.050 0.364 0.000 0.949 543 N CB 0.296 39.010 38.487 0.378 0.000 1.136 543 N HN -0.100 nan 8.380 nan 0.000 0.550 544 T N -1.480 113.264 114.554 0.316 0.000 2.900 544 T HA 0.654 5.024 4.350 0.034 0.000 0.295 544 T C -0.565 174.261 174.700 0.210 0.000 1.044 544 T CA -0.593 61.632 62.100 0.208 0.000 0.995 544 T CB 1.521 70.501 68.868 0.187 0.000 1.072 544 T HN 0.705 nan 8.240 nan 0.000 0.473 545 A N 2.767 125.642 122.820 0.093 0.000 3.026 545 A HA 0.512 4.852 4.320 0.034 0.000 0.272 545 A C 0.817 178.449 177.584 0.081 0.000 1.782 545 A CA -0.273 51.842 52.037 0.130 0.000 1.451 545 A CB -1.221 17.782 19.000 0.004 0.000 1.081 545 A HN 0.826 nan 8.150 nan 0.000 0.611 546 T N -3.928 110.670 114.554 0.074 0.000 2.906 546 T HA 0.442 4.813 4.350 0.034 0.000 0.295 546 T C 0.429 174.992 174.700 -0.227 0.000 1.075 546 T CA -0.678 61.396 62.100 -0.045 0.000 1.005 546 T CB 0.728 69.587 68.868 -0.015 0.000 1.136 546 T HN 0.426 nan 8.240 nan 0.000 0.498 547 W N 0.580 121.780 121.300 -0.167 0.000 2.374 547 W HA 0.039 4.720 4.660 0.035 0.000 0.288 547 W C 1.877 178.146 176.519 -0.416 0.000 1.218 547 W CA 1.000 58.189 57.345 -0.261 0.000 1.245 547 W CB -0.341 29.014 29.460 -0.175 0.000 1.126 547 W HN 0.745 nan 8.180 nan 0.000 0.545 548 D N 0.326 120.533 120.400 -0.322 0.000 2.104 548 D HA -0.181 4.480 4.640 0.034 0.000 0.194 548 D C 1.369 176.903 176.300 -1.276 0.000 0.994 548 D CA 1.841 55.291 54.000 -0.916 0.000 0.830 548 D CB -0.614 39.492 40.800 -1.157 0.000 0.959 548 D HN 0.153 nan 8.370 nan 0.000 0.452 549 D N -0.043 119.908 120.400 -0.748 0.000 2.123 549 D HA -0.150 4.510 4.640 0.034 0.000 0.196 549 D C 1.975 178.082 176.300 -0.323 0.000 0.992 549 D CA 0.470 54.319 54.000 -0.251 0.000 0.833 549 D CB -0.187 40.717 40.800 0.174 0.000 0.954 549 D HN 0.065 nan 8.370 nan 0.000 0.455 550 L N 1.070 121.788 121.223 -0.843 0.000 1.971 550 L HA -0.208 4.152 4.340 0.034 0.000 0.215 550 L C 1.966 178.586 176.870 -0.417 0.000 1.072 550 L CA 1.845 55.989 54.840 -1.159 0.000 0.758 550 L CB -0.369 40.932 42.059 -1.263 0.000 0.889 550 L HN -0.086 nan 8.230 nan 0.000 0.433 551 R N -1.471 118.857 120.500 -0.287 0.000 2.091 551 R HA -0.215 4.146 4.340 0.034 0.000 0.238 551 R C 2.014 178.428 176.300 0.190 0.000 1.136 551 R CA 1.871 57.947 56.100 -0.039 0.000 0.959 551 R CB -0.601 29.680 30.300 -0.032 0.000 0.856 551 R HN 0.482 nan 8.270 nan 0.000 0.437 552 W N 0.749 122.097 121.300 0.081 0.000 2.595 552 W HA -0.022 4.658 4.660 0.034 0.000 0.257 552 W C 2.330 178.918 176.519 0.115 0.000 1.267 552 W CA 0.912 58.321 57.345 0.107 0.000 1.300 552 W CB -0.898 28.629 29.460 0.112 0.000 1.120 552 W HN 0.192 nan 8.180 nan 0.000 0.618 553 S N -0.243 115.646 115.700 0.315 0.000 2.423 553 S HA -0.144 4.347 4.470 0.034 0.000 0.231 553 S C 1.777 176.495 174.600 0.197 0.000 1.014 553 S CA 0.953 59.307 58.200 0.257 0.000 0.965 553 S CB -0.705 62.675 63.200 0.301 0.000 0.785 553 S HN 0.212 nan 8.310 nan 0.000 0.495 554 I N 2.337 123.033 120.570 0.209 0.000 2.163 554 I HA -0.019 4.171 4.170 0.034 0.000 0.240 554 I C -0.744 175.399 176.117 0.044 0.000 1.081 554 I CA 0.683 62.045 61.300 0.103 0.000 1.353 554 I CB -1.209 36.879 38.000 0.147 0.000 1.054 554 I HN 0.216 nan 8.210 nan 0.000 0.407 555 P HA -0.171 nan 4.420 nan 0.000 0.216 555 P C 1.577 178.959 177.300 0.137 0.000 1.153 555 P CA 1.872 65.054 63.100 0.136 0.000 0.858 555 P CB -0.261 31.555 31.700 0.193 0.000 0.789 556 G N -0.623 108.271 108.800 0.157 0.000 2.418 556 G HA2 -0.216 3.764 3.960 0.034 0.000 0.217 556 G HA3 -0.216 3.764 3.960 0.034 0.000 0.217 556 G C 1.648 176.701 174.900 0.256 0.000 1.158 556 G CA 0.597 45.833 45.100 0.227 0.000 0.771 556 G HN 0.159 nan 8.290 nan 0.000 0.545 557 V N 0.923 120.899 119.914 0.104 0.000 2.295 557 V HA -0.117 4.023 4.120 0.034 0.000 0.246 557 V C 2.926 179.018 176.094 -0.004 0.000 1.049 557 V CA 1.466 63.794 62.300 0.047 0.000 1.024 557 V CB -0.403 31.382 31.823 -0.063 0.000 0.648 557 V HN 0.345 nan 8.190 nan 0.000 0.447 558 L N -0.433 120.709 121.223 -0.134 0.000 2.046 558 L HA -0.207 4.154 4.340 0.034 0.000 0.208 558 L C 2.559 179.338 176.870 -0.152 0.000 1.077 558 L CA 1.740 56.424 54.840 -0.260 0.000 0.747 558 L CB -0.658 40.998 42.059 -0.672 0.000 0.896 558 L HN 0.398 nan 8.230 nan 0.000 0.432 559 E N -0.228 119.935 120.200 -0.062 0.000 2.077 559 E HA -0.210 4.160 4.350 0.034 0.000 0.193 559 E C 2.075 178.160 176.600 -0.859 0.000 0.989 559 E CA 1.293 57.483 56.400 -0.350 0.000 0.800 559 E CB -0.155 29.423 29.700 -0.204 0.000 0.746 559 E HN 0.324 nan 8.360 nan 0.000 0.452 560 F N 1.445 121.221 119.950 -0.290 0.000 2.269 560 F HA -0.126 4.422 4.527 0.035 0.000 0.301 560 F C 2.052 177.804 175.800 -0.080 0.000 1.082 560 F CA 0.849 58.802 58.000 -0.077 0.000 1.360 560 F CB -0.112 38.984 39.000 0.161 0.000 1.041 560 F HN 0.048 nan 8.300 nan 0.000 0.512 561 N N 0.358 119.062 118.700 0.007 0.000 2.142 561 N HA -0.126 4.634 4.740 0.034 0.000 0.186 561 N C 1.994 177.465 175.510 -0.065 0.000 1.023 561 N CA 1.042 54.078 53.050 -0.024 0.000 0.852 561 N CB -0.273 38.178 38.487 -0.060 0.000 0.998 561 N HN 0.294 nan 8.380 nan 0.000 0.424 562 L N 0.161 121.293 121.223 -0.152 0.000 2.079 562 L HA -0.152 4.209 4.340 0.034 0.000 0.210 562 L C 1.471 178.347 176.870 0.010 0.000 1.081 562 L CA 1.093 55.896 54.840 -0.061 0.000 0.752 562 L CB -0.487 41.537 42.059 -0.059 0.000 0.896 562 L HN 0.096 nan 8.230 nan 0.000 0.433 563 F N 0.179 120.149 119.950 0.033 0.000 2.811 563 F HA 0.221 4.768 4.527 0.033 0.000 0.301 563 F C 1.817 177.608 175.800 -0.014 0.000 1.151 563 F CA 0.147 58.157 58.000 0.017 0.000 1.412 563 F CB -1.163 37.754 39.000 -0.137 0.000 1.113 563 F HN 0.184 nan 8.300 nan 0.000 0.579 564 G N 1.199 110.056 108.800 0.094 0.000 2.198 564 G HA2 -0.301 3.680 3.960 0.034 0.000 0.257 564 G HA3 -0.301 3.680 3.960 0.034 0.000 0.257 564 G C 0.177 175.109 174.900 0.054 0.000 1.042 564 G CA 0.073 45.161 45.100 -0.019 0.000 0.791 564 G HN 0.408 nan 8.290 nan 0.000 0.502 565 I N 0.769 121.445 120.570 0.176 0.000 2.778 565 I HA 0.203 4.393 4.170 0.034 0.000 0.285 565 I C -1.082 175.164 176.117 0.216 0.000 1.236 565 I CA -2.093 59.342 61.300 0.224 0.000 1.089 565 I CB 1.357 39.589 38.000 0.388 0.000 1.601 565 I HN -0.063 nan 8.210 nan 0.000 0.573 566 P HA -0.107 nan 4.420 nan 0.000 0.222 566 P C 0.820 178.267 177.300 0.245 0.000 1.153 566 P CA 0.707 63.874 63.100 0.112 0.000 0.798 566 P CB 0.297 31.967 31.700 -0.050 0.000 0.796 567 M N 1.519 121.333 119.600 0.358 0.000 2.821 567 M HA 0.253 4.753 4.480 0.034 0.000 0.305 567 M C -0.787 175.625 176.300 0.188 0.000 1.466 567 M CA -0.393 55.105 55.300 0.330 0.000 1.526 567 M CB -0.981 31.713 32.600 0.157 0.000 1.321 567 M HN -0.272 nan 8.290 nan 0.000 0.492 568 V N 3.661 123.719 119.914 0.241 0.000 3.012 568 V HA 1.032 5.173 4.120 0.034 0.000 0.307 568 V C -0.610 175.597 176.094 0.189 0.000 1.166 568 V CA 0.233 62.620 62.300 0.145 0.000 0.974 568 V CB 2.197 34.077 31.823 0.095 0.000 1.040 568 V HN 0.798 nan 8.190 nan 0.000 0.428 569 G N 5.099 113.970 108.800 0.117 0.000 2.547 569 G HA2 0.654 4.635 3.960 0.034 0.000 0.291 569 G HA3 0.654 4.635 3.960 0.034 0.000 0.291 569 G C -3.575 171.254 174.900 -0.118 0.000 1.471 569 G CA -0.536 44.486 45.100 -0.129 0.000 0.798 569 G HN 0.681 nan 8.290 nan 0.000 0.504 570 P HA 0.363 nan 4.420 nan 0.000 0.297 570 P C -1.072 176.234 177.300 0.010 0.000 1.307 570 P CA -0.455 62.628 63.100 -0.027 0.000 0.773 570 P CB 1.243 32.995 31.700 0.086 0.000 1.265 571 D N 0.295 120.741 120.400 0.077 0.000 2.336 571 D HA 0.271 4.931 4.640 0.034 0.000 0.249 571 D C 0.466 176.537 176.300 -0.381 0.000 1.213 571 D CA 0.100 54.085 54.000 -0.025 0.000 0.870 571 D CB -0.205 40.704 40.800 0.182 0.000 1.076 571 D HN 0.217 nan 8.370 nan 0.000 0.483 572 I N 1.538 121.870 120.570 -0.396 0.000 2.692 572 I HA -0.112 4.078 4.170 0.034 0.000 0.284 572 I C 1.093 176.705 176.117 -0.842 0.000 1.159 572 I CA -0.130 60.719 61.300 -0.753 0.000 1.423 572 I CB 0.502 38.387 38.000 -0.192 0.000 1.380 572 I HN 0.610 nan 8.210 nan 0.000 0.580 573 c N 3.714 121.502 118.600 -1.354 0.000 5.467 573 c HA -0.129 4.461 4.570 0.034 0.000 0.269 573 c C 0.835 174.586 174.090 -0.564 0.000 1.868 573 c CA 0.303 56.262 56.329 -0.616 0.000 1.676 573 c CB -2.517 39.883 42.510 -0.183 0.000 2.513 573 c HN 1.514 nan 8.230 nan 0.000 0.533 574 G N -1.245 107.084 108.800 -0.785 0.000 3.209 574 G HA2 0.113 4.093 3.960 0.034 0.000 0.686 574 G HA3 0.113 4.093 3.960 0.034 0.000 0.686 574 G C -0.294 174.552 174.900 -0.090 0.000 1.065 574 G CA 0.074 44.997 45.100 -0.295 0.000 0.812 574 G HN 1.033 nan 8.290 nan 0.000 0.573 575 F N 2.821 122.721 119.950 -0.082 0.000 2.000 575 F HA 0.388 4.935 4.527 0.032 0.000 0.295 575 F C 2.095 177.855 175.800 -0.066 0.000 1.159 575 F CA 2.516 60.500 58.000 -0.026 0.000 1.171 575 F CB -0.408 38.672 39.000 0.133 0.000 0.971 575 F HN 1.171 nan 8.300 nan 0.000 0.479 576 A N 1.005 123.779 122.820 -0.077 0.000 2.440 576 A HA 0.507 4.847 4.320 0.034 0.000 0.251 576 A C -0.744 176.439 177.584 -0.668 0.000 1.089 576 A CA -0.260 51.547 52.037 -0.382 0.000 0.779 576 A CB -0.061 18.957 19.000 0.030 0.000 1.022 576 A HN 0.614 nan 8.150 nan 0.000 0.492 577 L N 0.762 121.041 121.223 -1.574 0.000 0.584 577 L HA -0.126 4.234 4.340 0.034 0.000 0.356 577 L C -0.679 175.769 176.870 -0.702 0.000 0.985 577 L CA 0.053 54.281 54.840 -1.020 0.000 1.223 577 L CB -1.054 40.799 42.059 -0.343 0.000 0.010 577 L HN 0.888 nan 8.230 nan 0.000 0.091 578 D N 0.655 120.908 120.400 -0.244 0.000 2.425 578 D HA 0.289 4.949 4.640 0.034 0.000 0.247 578 D C 0.410 176.689 176.300 -0.036 0.000 1.147 578 D CA 0.244 54.213 54.000 -0.052 0.000 0.879 578 D CB 0.785 41.605 40.800 0.034 0.000 1.179 578 D HN 0.554 nan 8.370 nan 0.000 0.456 579 T N 2.457 117.019 114.554 0.014 0.000 2.780 579 T HA 0.352 4.722 4.350 0.034 0.000 0.294 579 T C -2.370 172.406 174.700 0.127 0.000 0.949 579 T CA -1.791 60.346 62.100 0.061 0.000 1.074 579 T CB 0.586 69.503 68.868 0.082 0.000 0.910 579 T HN 0.059 nan 8.240 nan 0.000 0.501 580 P HA 0.110 nan 4.420 nan 0.000 0.268 580 P C 0.888 178.283 177.300 0.158 0.000 1.205 580 P CA -0.225 62.959 63.100 0.142 0.000 0.771 580 P CB 0.546 32.339 31.700 0.155 0.000 0.858 581 E N 2.668 122.989 120.200 0.202 0.000 2.085 581 E HA -0.267 4.103 4.350 0.034 0.000 0.194 581 E C 1.454 178.064 176.600 0.017 0.000 0.994 581 E CA 1.654 58.134 56.400 0.134 0.000 0.801 581 E CB 0.022 29.833 29.700 0.184 0.000 0.743 581 E HN 0.584 nan 8.360 nan 0.000 0.453 582 E N -0.029 120.241 120.200 0.116 0.000 2.047 582 E HA -0.183 4.187 4.350 0.034 0.000 0.191 582 E C 2.403 179.082 176.600 0.131 0.000 0.987 582 E CA 0.894 57.399 56.400 0.175 0.000 0.799 582 E CB -0.137 29.750 29.700 0.311 0.000 0.752 582 E HN 0.191 nan 8.360 nan 0.000 0.449 583 L N 1.019 122.240 121.223 -0.004 0.000 2.012 583 L HA -0.194 4.166 4.340 0.034 0.000 0.210 583 L C 2.531 179.273 176.870 -0.214 0.000 1.073 583 L CA 1.971 56.472 54.840 -0.564 0.000 0.748 583 L CB -1.033 40.623 42.059 -0.672 0.000 0.891 583 L HN 0.342 nan 8.230 nan 0.000 0.431 584 c N -0.131 118.419 118.600 -0.083 0.000 2.425 584 c HA -0.151 4.439 4.570 0.034 0.000 0.277 584 c C 3.076 177.095 174.090 -0.118 0.000 1.280 584 c CA 1.125 57.413 56.329 -0.069 0.000 1.744 584 c CB -0.955 41.473 42.510 -0.137 0.000 1.989 584 c HN 0.692 nan 8.230 nan 0.000 0.491 585 R N 0.023 120.428 120.500 -0.159 0.000 2.073 585 R HA -0.077 4.283 4.340 0.034 0.000 0.234 585 R C 2.444 178.735 176.300 -0.016 0.000 1.134 585 R CA 1.406 57.440 56.100 -0.110 0.000 0.952 585 R CB -0.261 29.990 30.300 -0.081 0.000 0.850 585 R HN 0.367 nan 8.270 nan 0.000 0.433 586 R N -0.235 120.269 120.500 0.008 0.000 2.115 586 R HA -0.159 4.201 4.340 0.034 0.000 0.230 586 R C 1.868 178.191 176.300 0.039 0.000 1.111 586 R CA 0.919 57.032 56.100 0.022 0.000 0.976 586 R CB -0.844 29.497 30.300 0.068 0.000 0.870 586 R HN 0.457 nan 8.270 nan 0.000 0.445 587 W N 0.704 121.919 121.300 -0.141 0.000 2.418 587 W HA 0.011 4.693 4.660 0.037 0.000 0.292 587 W C 1.709 178.199 176.519 -0.049 0.000 1.213 587 W CA 0.615 57.910 57.345 -0.084 0.000 1.283 587 W CB -0.132 29.274 29.460 -0.090 0.000 1.119 587 W HN -0.020 nan 8.180 nan 0.000 0.542 588 M N 0.273 119.975 119.600 0.170 0.000 2.175 588 M HA -0.186 4.314 4.480 0.034 0.000 0.264 588 M C 1.907 178.222 176.300 0.024 0.000 1.063 588 M CA 1.509 56.838 55.300 0.049 0.000 1.119 588 M CB -1.413 31.158 32.600 -0.048 0.000 1.377 588 M HN 0.118 nan 8.290 nan 0.000 0.415 589 Q N -0.119 119.693 119.800 0.020 0.000 2.030 589 Q HA -0.209 4.151 4.340 0.034 0.000 0.204 589 Q C 2.076 178.064 176.000 -0.021 0.000 0.986 589 Q CA 1.414 57.186 55.803 -0.052 0.000 0.843 589 Q CB -0.395 28.257 28.738 -0.144 0.000 0.904 589 Q HN 0.329 nan 8.270 nan 0.000 0.420 590 L N 0.282 121.499 121.223 -0.009 0.000 2.056 590 L HA -0.005 4.355 4.340 0.034 0.000 0.207 590 L C 2.051 178.825 176.870 -0.160 0.000 1.078 590 L CA 2.213 57.035 54.840 -0.030 0.000 0.749 590 L CB -0.942 41.073 42.059 -0.073 0.000 0.901 590 L HN 0.189 nan 8.230 nan 0.000 0.433 591 G N -1.118 107.610 108.800 -0.119 0.000 2.471 591 G HA2 -0.182 3.798 3.960 0.034 0.000 0.219 591 G HA3 -0.182 3.798 3.960 0.034 0.000 0.219 591 G C 1.548 176.448 174.900 -0.000 0.000 1.125 591 G CA 0.580 45.612 45.100 -0.112 0.000 0.775 591 G HN 0.627 nan 8.290 nan 0.000 0.548 592 A N -0.066 122.683 122.820 -0.119 0.000 2.125 592 A HA 0.228 4.568 4.320 0.034 0.000 0.219 592 A C 1.471 178.688 177.584 -0.612 0.000 1.156 592 A CA 0.747 52.569 52.037 -0.358 0.000 0.671 592 A CB -0.333 18.350 19.000 -0.529 0.000 0.794 592 A HN 0.341 nan 8.150 nan 0.000 0.459 593 F N -2.773 117.261 119.950 0.140 0.000 2.683 593 F HA 0.321 4.870 4.527 0.036 0.000 0.306 593 F C -0.249 175.979 175.800 0.714 0.000 1.102 593 F CA -1.106 57.107 58.000 0.355 0.000 1.244 593 F CB 0.028 38.954 39.000 -0.123 0.000 1.029 593 F HN 0.031 nan 8.300 nan 0.000 0.545 594 Y N 2.001 122.659 120.300 0.597 0.000 2.411 594 Y HA 0.181 4.750 4.550 0.033 0.000 0.333 594 Y C -1.202 174.952 175.900 0.423 0.000 1.186 594 Y CA -2.846 55.529 58.100 0.458 0.000 1.381 594 Y CB -0.078 38.551 38.460 0.283 0.000 1.273 594 Y HN -0.121 nan 8.280 nan 0.000 0.546 595 P HA -0.192 nan 4.420 nan 0.000 0.215 595 P C -0.106 177.456 177.300 0.437 0.000 1.153 595 P CA 1.383 64.708 63.100 0.375 0.000 0.853 595 P CB 0.147 32.016 31.700 0.281 0.000 0.788 596 F N 0.265 120.353 119.950 0.231 0.000 2.361 596 F HA 0.495 5.042 4.527 0.032 0.000 0.364 596 F C -0.028 175.868 175.800 0.160 0.000 1.120 596 F CA -1.360 56.706 58.000 0.111 0.000 1.102 596 F CB 0.674 39.686 39.000 0.019 0.000 1.183 596 F HN -0.315 nan 8.300 nan 0.000 0.476 597 S N 7.803 123.344 115.700 -0.266 0.000 2.474 597 S HA 0.508 4.998 4.470 0.034 0.000 0.320 597 S C -0.616 173.698 174.600 -0.477 0.000 1.067 597 S CA -0.599 57.544 58.200 -0.095 0.000 1.127 597 S CB -0.079 63.285 63.200 0.273 0.000 0.971 597 S HN 0.845 nan 8.310 nan 0.000 0.472 598 R N 4.065 124.171 120.500 -0.656 0.000 2.538 598 R HA 0.327 4.688 4.340 0.034 0.000 0.292 598 R C -1.347 174.736 176.300 -0.362 0.000 1.008 598 R CA -0.639 55.018 56.100 -0.739 0.000 0.896 598 R CB 0.839 30.470 30.300 -1.114 0.000 1.187 598 R HN 0.569 nan 8.270 nan 0.000 0.440 599 N N 3.128 121.663 118.700 -0.274 0.000 2.414 599 N HA 0.097 4.857 4.740 0.034 0.000 0.256 599 N C -1.572 173.899 175.510 -0.065 0.000 1.029 599 N CA 0.033 53.042 53.050 -0.069 0.000 0.948 599 N CB 0.824 39.413 38.487 0.171 0.000 1.102 599 N HN 0.656 nan 8.380 nan 0.000 0.496 600 H N 2.313 121.294 119.070 -0.149 0.000 2.821 600 H HA 0.577 5.152 4.556 0.032 0.000 0.373 600 H C -1.388 173.987 175.328 0.079 0.000 1.165 600 H CA -0.702 55.312 56.048 -0.056 0.000 1.154 600 H CB 1.230 30.916 29.762 -0.127 0.000 1.765 600 H HN 0.577 nan 8.280 nan 0.000 0.549 601 N N 1.463 119.927 118.700 -0.393 0.000 2.277 601 N HA 0.423 5.184 4.740 0.034 0.000 0.286 601 N C -0.473 174.771 175.510 -0.443 0.000 1.140 601 N CA -0.002 52.878 53.050 -0.285 0.000 0.799 601 N CB 2.213 40.607 38.487 -0.155 0.000 1.596 601 N HN 0.882 nan 8.380 nan 0.000 0.473 602 G N 0.291 108.697 108.800 -0.656 0.000 2.621 602 G HA2 0.192 4.172 3.960 0.034 0.000 0.271 602 G HA3 0.192 4.172 3.960 0.034 0.000 0.271 602 G C -0.550 174.174 174.900 -0.293 0.000 1.236 602 G CA -0.334 44.305 45.100 -0.768 0.000 0.958 602 G HN 0.671 nan 8.290 nan 0.000 0.512 603 Q N -0.635 118.908 119.800 -0.428 0.000 2.311 603 Q HA 0.385 4.746 4.340 0.034 0.000 0.272 603 Q C 1.354 176.888 176.000 -0.776 0.000 1.012 603 Q CA 0.993 56.380 55.803 -0.694 0.000 0.891 603 Q CB 0.324 28.480 28.738 -0.971 0.000 1.201 603 Q HN 1.199 nan 8.270 nan 0.000 0.391 604 G N 2.618 111.073 108.800 -0.575 0.000 2.253 604 G HA2 -0.314 3.666 3.960 0.034 0.000 0.251 604 G HA3 -0.314 3.666 3.960 0.034 0.000 0.251 604 G C -0.509 174.117 174.900 -0.456 0.000 0.998 604 G CA 0.341 45.131 45.100 -0.517 0.000 0.621 604 G HN 0.636 nan 8.290 nan 0.000 0.524 605 Y N 1.647 121.839 120.300 -0.180 0.000 2.299 605 Y HA 0.466 5.036 4.550 0.033 0.000 0.335 605 Y C 1.234 177.057 175.900 -0.129 0.000 1.287 605 Y CA -0.190 57.824 58.100 -0.143 0.000 1.424 605 Y CB 0.452 38.817 38.460 -0.159 0.000 1.326 605 Y HN 0.439 nan 8.280 nan 0.000 0.567 606 K N 1.098 121.543 120.400 0.075 0.000 2.380 606 K HA 0.007 4.347 4.320 0.034 0.000 0.267 606 K C -0.901 175.669 176.600 -0.051 0.000 0.990 606 K CA -0.641 55.635 56.287 -0.019 0.000 0.946 606 K CB 0.361 32.842 32.500 -0.033 0.000 0.937 606 K HN 0.481 nan 8.250 nan 0.000 0.491 607 D N 2.157 122.498 120.400 -0.097 0.000 2.472 607 D HA -0.078 4.582 4.640 0.034 0.000 0.237 607 D C 0.401 176.612 176.300 -0.147 0.000 1.141 607 D CA 0.512 54.452 54.000 -0.100 0.000 0.875 607 D CB 0.961 41.701 40.800 -0.101 0.000 1.192 607 D HN 0.688 nan 8.370 nan 0.000 0.450 608 Q N 0.403 120.186 119.800 -0.028 0.000 2.093 608 Q HA 0.053 4.414 4.340 0.034 0.000 0.217 608 Q C -0.529 175.626 176.000 0.259 0.000 0.785 608 Q CA -0.588 55.294 55.803 0.132 0.000 1.038 608 Q CB 0.303 29.134 28.738 0.155 0.000 1.190 608 Q HN 0.480 nan 8.270 nan 0.000 0.468 609 D N 1.255 121.746 120.400 0.151 0.000 2.443 609 D HA 0.007 4.667 4.640 0.034 0.000 0.239 609 D C -1.771 174.681 176.300 0.253 0.000 1.136 609 D CA -1.078 53.026 54.000 0.174 0.000 0.879 609 D CB 1.447 42.322 40.800 0.125 0.000 1.195 609 D HN -0.117 nan 8.370 nan 0.000 0.443 610 P HA -0.170 nan 4.420 nan 0.000 0.216 610 P C 1.303 178.745 177.300 0.237 0.000 1.153 610 P CA 2.159 65.375 63.100 0.193 0.000 0.858 610 P CB -0.003 31.693 31.700 -0.007 0.000 0.789 611 A N -0.147 122.752 122.820 0.133 0.000 2.119 611 A HA -0.116 4.225 4.320 0.034 0.000 0.217 611 A C 2.250 179.891 177.584 0.095 0.000 1.153 611 A CA 1.635 53.734 52.037 0.102 0.000 0.692 611 A CB -1.521 17.519 19.000 0.067 0.000 0.799 611 A HN 0.326 nan 8.150 nan 0.000 0.458 612 S N -1.168 114.574 115.700 0.070 0.000 2.469 612 S HA -0.071 4.420 4.470 0.034 0.000 0.238 612 S C 1.251 175.742 174.600 -0.182 0.000 0.998 612 S CA 0.984 59.134 58.200 -0.085 0.000 0.957 612 S CB -0.729 62.353 63.200 -0.197 0.000 0.764 612 S HN 0.415 nan 8.310 nan 0.000 0.514 613 F N 2.214 122.173 119.950 0.015 0.000 2.776 613 F HA 0.444 4.992 4.527 0.034 0.000 0.300 613 F C 1.475 177.283 175.800 0.014 0.000 1.116 613 F CA 0.471 58.480 58.000 0.015 0.000 1.375 613 F CB 0.230 39.239 39.000 0.015 0.000 1.109 613 F HN 0.496 nan 8.300 nan 0.000 0.585 614 G N -0.361 108.523 108.800 0.140 0.000 2.764 614 G HA2 0.207 4.188 3.960 0.034 0.000 0.678 614 G HA3 0.207 4.188 3.960 0.034 0.000 0.678 614 G C 0.382 175.328 174.900 0.077 0.000 1.341 614 G CA -0.693 44.459 45.100 0.086 0.000 0.836 614 G HN 0.222 nan 8.290 nan 0.000 0.632 615 A N 0.483 123.333 122.820 0.050 0.000 2.076 615 A HA 0.114 4.455 4.320 0.034 0.000 0.220 615 A C 1.562 179.166 177.584 0.035 0.000 1.160 615 A CA 2.287 54.348 52.037 0.040 0.000 0.653 615 A CB -0.028 18.989 19.000 0.029 0.000 0.801 615 A HN 0.625 nan 8.150 nan 0.000 0.455 616 D N -0.527 119.895 120.400 0.036 0.000 2.469 616 D HA 0.099 4.759 4.640 0.034 0.000 0.215 616 D C 0.380 176.699 176.300 0.032 0.000 1.154 616 D CA 0.514 54.530 54.000 0.027 0.000 0.832 616 D CB 0.322 41.136 40.800 0.022 0.000 1.008 616 D HN 0.499 nan 8.370 nan 0.000 0.506 617 S N 0.303 116.033 115.700 0.050 0.000 2.593 617 S HA 0.085 4.576 4.470 0.034 0.000 0.269 617 S C 1.316 175.934 174.600 0.030 0.000 1.334 617 S CA -0.633 57.602 58.200 0.058 0.000 1.015 617 S CB 1.908 65.174 63.200 0.111 0.000 0.912 617 S HN 0.021 nan 8.310 nan 0.000 0.541 618 L N 2.030 123.266 121.223 0.021 0.000 2.079 618 L HA -0.001 4.359 4.340 0.034 0.000 0.210 618 L C 2.195 179.055 176.870 -0.016 0.000 1.081 618 L CA 1.620 56.462 54.840 0.002 0.000 0.752 618 L CB -0.782 41.280 42.059 0.006 0.000 0.896 618 L HN 0.914 nan 8.230 nan 0.000 0.433 619 L N -1.548 119.648 121.223 -0.046 0.000 2.017 619 L HA -0.200 4.160 4.340 0.034 0.000 0.208 619 L C 2.398 179.222 176.870 -0.077 0.000 1.073 619 L CA 1.547 56.311 54.840 -0.127 0.000 0.745 619 L CB -0.297 41.539 42.059 -0.373 0.000 0.894 619 L HN 0.390 nan 8.230 nan 0.000 0.432 620 L N 0.429 121.642 121.223 -0.017 0.000 2.056 620 L HA -0.196 4.164 4.340 0.034 0.000 0.207 620 L C 2.171 179.032 176.870 -0.015 0.000 1.078 620 L CA 1.739 56.578 54.840 -0.002 0.000 0.749 620 L CB -0.926 41.158 42.059 0.041 0.000 0.901 620 L HN 0.318 nan 8.230 nan 0.000 0.433 621 N N -0.895 117.800 118.700 -0.008 0.000 2.084 621 N HA -0.174 4.586 4.740 0.034 0.000 0.190 621 N C 2.069 177.577 175.510 -0.004 0.000 1.030 621 N CA 1.504 54.547 53.050 -0.012 0.000 0.849 621 N CB -0.577 37.897 38.487 -0.022 0.000 1.012 621 N HN 0.415 nan 8.380 nan 0.000 0.423 622 S N 0.127 115.834 115.700 0.011 0.000 2.355 622 S HA -0.037 4.454 4.470 0.034 0.000 0.222 622 S C 2.023 176.699 174.600 0.128 0.000 1.031 622 S CA 1.286 59.537 58.200 0.085 0.000 0.993 622 S CB -0.280 62.991 63.200 0.119 0.000 0.859 622 S HN 0.277 nan 8.310 nan 0.000 0.453 623 S N 1.263 116.980 115.700 0.028 0.000 2.365 623 S HA -0.156 4.334 4.470 0.034 0.000 0.225 623 S C 1.941 176.490 174.600 -0.086 0.000 1.039 623 S CA 1.530 59.701 58.200 -0.048 0.000 1.033 623 S CB -0.484 62.631 63.200 -0.141 0.000 0.887 623 S HN 0.558 nan 8.310 nan 0.000 0.447 624 R N 0.340 120.794 120.500 -0.077 0.000 2.073 624 R HA -0.149 4.211 4.340 0.034 0.000 0.234 624 R C 2.421 178.668 176.300 -0.088 0.000 1.134 624 R CA 1.493 57.535 56.100 -0.098 0.000 0.952 624 R CB -0.461 29.801 30.300 -0.063 0.000 0.850 624 R HN 0.572 nan 8.270 nan 0.000 0.433 625 H N -0.654 118.318 119.070 -0.164 0.000 2.290 625 H HA -0.206 4.370 4.556 0.033 0.000 0.298 625 H C 1.435 176.578 175.328 -0.308 0.000 1.087 625 H CA 2.355 58.245 56.048 -0.265 0.000 1.291 625 H CB -0.158 29.371 29.762 -0.387 0.000 1.369 625 H HN 0.344 nan 8.280 nan 0.000 0.492 626 Y N 0.173 120.437 120.300 -0.059 0.000 2.420 626 Y HA -0.046 4.524 4.550 0.033 0.000 0.292 626 Y C 2.869 178.629 175.900 -0.235 0.000 1.119 626 Y CA 0.143 58.180 58.100 -0.105 0.000 1.229 626 Y CB 0.086 38.579 38.460 0.055 0.000 1.026 626 Y HN 0.098 nan 8.280 nan 0.000 0.554 627 L N -0.168 120.989 121.223 -0.110 0.000 2.083 627 L HA -0.244 4.116 4.340 0.034 0.000 0.209 627 L C 1.675 178.483 176.870 -0.104 0.000 1.083 627 L CA 1.511 56.262 54.840 -0.148 0.000 0.752 627 L CB -0.491 41.410 42.059 -0.263 0.000 0.899 627 L HN 0.321 nan 8.230 nan 0.000 0.433 628 N N -0.074 118.531 118.700 -0.158 0.000 2.188 628 N HA -0.146 4.615 4.740 0.034 0.000 0.184 628 N C 1.888 177.392 175.510 -0.009 0.000 1.018 628 N CA 0.931 53.918 53.050 -0.106 0.000 0.858 628 N CB 0.006 38.410 38.487 -0.139 0.000 0.989 628 N HN 0.245 nan 8.380 nan 0.000 0.426 629 I N 0.807 121.327 120.570 -0.085 0.000 2.179 629 I HA -0.269 3.921 4.170 0.034 0.000 0.242 629 I C 2.594 178.759 176.117 0.080 0.000 1.088 629 I CA 0.899 62.184 61.300 -0.026 0.000 1.357 629 I CB -0.267 37.679 38.000 -0.090 0.000 1.051 629 I HN 0.166 nan 8.210 nan 0.000 0.409 630 R N 0.515 121.031 120.500 0.027 0.000 2.096 630 R HA -0.253 4.108 4.340 0.034 0.000 0.240 630 R C 2.468 178.978 176.300 0.350 0.000 1.139 630 R CA 2.115 58.301 56.100 0.143 0.000 0.952 630 R CB -0.466 29.858 30.300 0.040 0.000 0.854 630 R HN 0.233 nan 8.270 nan 0.000 0.436 631 Y N 0.806 121.173 120.300 0.112 0.000 2.224 631 Y HA -0.126 4.444 4.550 0.033 0.000 0.289 631 Y C 2.627 178.652 175.900 0.209 0.000 1.146 631 Y CA 1.756 59.952 58.100 0.159 0.000 1.182 631 Y CB -0.653 37.879 38.460 0.120 0.000 0.983 631 Y HN 0.136 nan 8.280 nan 0.000 0.524 632 T N 0.141 114.894 114.554 0.333 0.000 2.759 632 T HA -0.167 4.203 4.350 0.034 0.000 0.269 632 T C 1.683 176.592 174.700 0.348 0.000 1.042 632 T CA 1.318 63.593 62.100 0.292 0.000 1.140 632 T CB -0.448 68.567 68.868 0.245 0.000 0.864 632 T HN 0.222 nan 8.240 nan 0.000 0.455 633 L N 0.550 122.009 121.223 0.393 0.000 2.611 633 L HA 0.289 4.649 4.340 0.034 0.000 0.229 633 L C 1.821 179.048 176.870 0.595 0.000 1.137 633 L CA -0.089 55.070 54.840 0.533 0.000 0.901 633 L CB -0.311 42.103 42.059 0.591 0.000 1.098 633 L HN 0.226 nan 8.230 nan 0.000 0.456 634 L N 0.472 121.949 121.223 0.424 0.000 2.079 634 L HA -0.167 4.193 4.340 0.034 0.000 0.210 634 L C -0.215 176.912 176.870 0.428 0.000 1.081 634 L CA 1.540 56.546 54.840 0.277 0.000 0.752 634 L CB -1.539 40.511 42.059 -0.016 0.000 0.896 634 L HN 0.283 nan 8.230 nan 0.000 0.433 635 P HA -0.223 nan 4.420 nan 0.000 0.216 635 P C 1.311 179.041 177.300 0.716 0.000 1.150 635 P CA 1.282 64.841 63.100 0.764 0.000 0.837 635 P CB -0.059 32.060 31.700 0.698 0.000 0.786 636 Y N 0.526 121.152 120.300 0.543 0.000 2.114 636 Y HA -0.163 4.407 4.550 0.033 0.000 0.284 636 Y C 2.124 178.277 175.900 0.422 0.000 1.143 636 Y CA 1.187 59.600 58.100 0.523 0.000 1.135 636 Y CB -1.185 37.642 38.460 0.611 0.000 0.980 636 Y HN -0.227 nan 8.280 nan 0.000 0.499 637 L N -0.499 120.871 121.223 0.246 0.000 2.042 637 L HA -0.238 4.122 4.340 0.034 0.000 0.210 637 L C 2.213 179.166 176.870 0.137 0.000 1.076 637 L CA 2.042 56.808 54.840 -0.124 0.000 0.749 637 L CB -1.411 40.468 42.059 -0.299 0.000 0.893 637 L HN 0.398 nan 8.230 nan 0.000 0.432 638 Y N 0.129 120.522 120.300 0.156 0.000 2.181 638 Y HA -0.237 4.334 4.550 0.035 0.000 0.288 638 Y C 2.484 178.568 175.900 0.307 0.000 1.146 638 Y CA 2.139 60.383 58.100 0.239 0.000 1.164 638 Y CB -0.786 37.849 38.460 0.292 0.000 0.982 638 Y HN 0.238 nan 8.280 nan 0.000 0.515 639 T N 1.037 115.803 114.554 0.352 0.000 2.821 639 T HA -0.162 4.208 4.350 0.034 0.000 0.267 639 T C 2.120 176.884 174.700 0.107 0.000 1.046 639 T CA 1.555 63.833 62.100 0.297 0.000 1.139 639 T CB -0.483 68.646 68.868 0.434 0.000 0.871 639 T HN 0.287 nan 8.240 nan 0.000 0.454 640 L N -0.342 120.846 121.223 -0.058 0.000 2.042 640 L HA -0.077 4.283 4.340 0.034 0.000 0.210 640 L C 2.281 178.991 176.870 -0.267 0.000 1.076 640 L CA 1.465 56.165 54.840 -0.232 0.000 0.749 640 L CB -0.642 41.156 42.059 -0.435 0.000 0.893 640 L HN 0.219 nan 8.230 nan 0.000 0.432 641 F N -0.705 119.123 119.950 -0.204 0.000 2.186 641 F HA -0.229 4.319 4.527 0.035 0.000 0.299 641 F C 2.364 177.984 175.800 -0.300 0.000 1.090 641 F CA 1.375 59.236 58.000 -0.231 0.000 1.307 641 F CB -0.610 38.264 39.000 -0.209 0.000 1.019 641 F HN -0.014 nan 8.300 nan 0.000 0.489 642 F N 1.296 121.006 119.950 -0.400 0.000 2.095 642 F HA -0.227 4.320 4.527 0.033 0.000 0.298 642 F C 2.384 177.945 175.800 -0.399 0.000 1.104 642 F CA 1.621 59.210 58.000 -0.686 0.000 1.232 642 F CB -0.367 37.842 39.000 -1.318 0.000 0.987 642 F HN -0.258 nan 8.300 nan 0.000 0.475 643 R N 0.871 121.015 120.500 -0.594 0.000 2.092 643 R HA -0.017 4.344 4.340 0.034 0.000 0.231 643 R C 2.453 178.503 176.300 -0.415 0.000 1.119 643 R CA 1.156 56.897 56.100 -0.598 0.000 0.970 643 R CB -1.645 28.474 30.300 -0.300 0.000 0.864 643 R HN 0.468 nan 8.270 nan 0.000 0.440 644 A N 0.375 123.016 122.820 -0.298 0.000 1.902 644 A HA -0.225 4.116 4.320 0.034 0.000 0.217 644 A C 2.089 179.549 177.584 -0.208 0.000 1.181 644 A CA 1.904 53.806 52.037 -0.224 0.000 0.623 644 A CB -0.702 18.188 19.000 -0.184 0.000 0.818 644 A HN 0.449 nan 8.150 nan 0.000 0.443 645 H N 0.590 119.475 119.070 -0.308 0.000 2.389 645 H HA -0.072 4.505 4.556 0.035 0.000 0.299 645 H C 2.271 177.400 175.328 -0.333 0.000 1.081 645 H CA 2.298 58.172 56.048 -0.290 0.000 1.345 645 H CB 0.007 29.608 29.762 -0.268 0.000 1.393 645 H HN 0.527 nan 8.280 nan 0.000 0.520 646 S N -1.367 114.012 115.700 -0.534 0.000 2.475 646 S HA 0.070 4.561 4.470 0.034 0.000 0.224 646 S C 2.121 176.472 174.600 -0.415 0.000 1.042 646 S CA 0.387 58.249 58.200 -0.563 0.000 0.935 646 S CB 0.339 63.095 63.200 -0.740 0.000 0.801 646 S HN 0.436 nan 8.310 nan 0.000 0.509 647 R N 0.201 120.465 120.500 -0.394 0.000 2.412 647 R HA 0.360 4.720 4.340 0.034 0.000 0.212 647 R C 1.127 177.289 176.300 -0.230 0.000 0.878 647 R CA 0.831 56.766 56.100 -0.275 0.000 1.022 647 R CB 0.504 30.647 30.300 -0.261 0.000 1.265 647 R HN 0.554 nan 8.270 nan 0.000 0.620 648 G N 1.603 110.253 108.800 -0.250 0.000 2.144 648 G HA2 -0.201 3.780 3.960 0.034 0.000 0.218 648 G HA3 -0.201 3.780 3.960 0.034 0.000 0.218 648 G C -0.784 174.014 174.900 -0.170 0.000 0.988 648 G CA 0.103 45.071 45.100 -0.220 0.000 0.659 648 G HN 0.384 nan 8.290 nan 0.000 0.522 649 D N 1.483 121.787 120.400 -0.161 0.000 2.378 649 D HA 0.450 5.110 4.640 0.034 0.000 0.238 649 D C 1.496 177.729 176.300 -0.112 0.000 1.180 649 D CA 1.059 54.994 54.000 -0.109 0.000 0.895 649 D CB 0.563 41.296 40.800 -0.112 0.000 1.192 649 D HN 0.475 nan 8.370 nan 0.000 0.438 650 T N -2.231 112.289 114.554 -0.057 0.000 2.828 650 T HA 0.358 4.728 4.350 0.034 0.000 0.290 650 T C 0.920 175.529 174.700 -0.153 0.000 1.019 650 T CA -0.809 61.240 62.100 -0.084 0.000 1.031 650 T CB 0.943 69.790 68.868 -0.036 0.000 1.001 650 T HN 0.070 nan 8.240 nan 0.000 0.531 651 V N 0.373 120.152 119.914 -0.224 0.000 2.784 651 V HA 0.433 4.573 4.120 0.034 0.000 0.231 651 V C 1.573 177.575 176.094 -0.153 0.000 1.128 651 V CA 0.483 62.568 62.300 -0.359 0.000 1.178 651 V CB -0.775 30.571 31.823 -0.794 0.000 0.943 651 V HN 1.149 nan 8.190 nan 0.000 0.500 652 A N 1.691 124.471 122.820 -0.065 0.000 2.404 652 A HA 0.564 4.905 4.320 0.034 0.000 0.273 652 A C 0.148 177.775 177.584 0.071 0.000 1.144 652 A CA 0.212 52.350 52.037 0.168 0.000 0.806 652 A CB -0.129 18.940 19.000 0.114 0.000 1.080 652 A HN 0.456 nan 8.150 nan 0.000 0.509 653 R N 3.342 123.943 120.500 0.168 0.000 2.628 653 R HA 0.538 4.898 4.340 0.034 0.000 0.288 653 R C -3.116 173.182 176.300 -0.004 0.000 0.980 653 R CA -1.979 54.119 56.100 -0.004 0.000 0.891 653 R CB 2.012 32.354 30.300 0.071 0.000 1.188 653 R HN 0.390 nan 8.270 nan 0.000 0.450 654 P HA 0.028 nan 4.420 nan 0.000 0.271 654 P C 0.381 177.756 177.300 0.125 0.000 1.218 654 P CA -0.334 62.699 63.100 -0.112 0.000 0.780 654 P CB 0.632 32.198 31.700 -0.223 0.000 0.901 655 L N 2.600 123.964 121.223 0.234 0.000 2.081 655 L HA -0.208 4.152 4.340 0.034 0.000 0.212 655 L C 2.044 179.201 176.870 0.478 0.000 1.080 655 L CA 1.942 57.022 54.840 0.400 0.000 0.754 655 L CB -1.515 40.764 42.059 0.367 0.000 0.893 655 L HN 0.443 nan 8.230 nan 0.000 0.433 656 L N -3.980 117.491 121.223 0.415 0.000 2.362 656 L HA -0.104 4.256 4.340 0.034 0.000 0.219 656 L C 2.210 179.373 176.870 0.489 0.000 1.134 656 L CA 1.496 56.623 54.840 0.479 0.000 0.807 656 L CB -1.136 41.189 42.059 0.443 0.000 0.927 656 L HN 0.298 nan 8.230 nan 0.000 0.447 657 H N -0.242 118.960 119.070 0.219 0.000 2.462 657 H HA 0.028 4.604 4.556 0.034 0.000 0.292 657 H C 1.357 176.815 175.328 0.217 0.000 1.049 657 H CA 1.069 57.243 56.048 0.210 0.000 1.334 657 H CB 0.520 30.352 29.762 0.117 0.000 1.404 657 H HN 0.494 nan 8.280 nan 0.000 0.544 658 E N 0.130 120.413 120.200 0.138 0.000 2.340 658 E HA 0.017 4.387 4.350 0.034 0.000 0.198 658 E C 0.048 176.204 176.600 -0.739 0.000 0.961 658 E CA 0.347 56.540 56.400 -0.344 0.000 0.905 658 E CB 0.432 29.753 29.700 -0.631 0.000 0.884 658 E HN 0.346 nan 8.360 nan 0.000 0.491 659 F N 0.572 120.562 119.950 0.067 0.000 2.841 659 F HA 0.133 4.681 4.527 0.033 0.000 0.358 659 F C 0.865 176.719 175.800 0.090 0.000 1.261 659 F CA -0.882 57.123 58.000 0.009 0.000 1.233 659 F CB -0.417 38.692 39.000 0.182 0.000 1.008 659 F HN -0.046 nan 8.300 nan 0.000 0.507 660 Y N -0.851 119.692 120.300 0.404 0.000 2.384 660 Y HA -0.133 4.438 4.550 0.034 0.000 0.289 660 Y C 1.565 177.811 175.900 0.577 0.000 1.152 660 Y CA 0.906 59.293 58.100 0.479 0.000 1.258 660 Y CB -1.121 37.478 38.460 0.231 0.000 0.979 660 Y HN 0.239 nan 8.280 nan 0.000 0.549 661 E N 0.098 120.468 120.200 0.284 0.000 2.347 661 E HA -0.132 4.239 4.350 0.034 0.000 0.196 661 E C 0.010 176.772 176.600 0.269 0.000 1.008 661 E CA 0.818 57.420 56.400 0.338 0.000 0.852 661 E CB -0.020 29.793 29.700 0.189 0.000 0.783 661 E HN 0.362 nan 8.360 nan 0.000 0.505 662 D N 0.835 121.381 120.400 0.243 0.000 2.454 662 D HA -0.013 4.648 4.640 0.034 0.000 0.225 662 D C 0.611 176.758 176.300 -0.255 0.000 1.081 662 D CA -0.421 53.613 54.000 0.056 0.000 0.864 662 D CB 0.413 41.310 40.800 0.160 0.000 1.040 662 D HN -0.057 nan 8.370 nan 0.000 0.517 663 N N 1.908 120.185 118.700 -0.704 0.000 2.519 663 N HA -0.150 4.611 4.740 0.034 0.000 0.186 663 N C 0.860 175.865 175.510 -0.842 0.000 1.062 663 N CA 0.450 52.551 53.050 -1.582 0.000 0.910 663 N CB -0.181 37.275 38.487 -1.719 0.000 0.958 663 N HN 0.106 nan 8.380 nan 0.000 0.445 664 S N -0.395 114.980 115.700 -0.541 0.000 2.469 664 S HA -0.099 4.391 4.470 0.034 0.000 0.238 664 S C 1.667 175.937 174.600 -0.550 0.000 0.998 664 S CA 1.480 59.324 58.200 -0.593 0.000 0.957 664 S CB -0.540 62.118 63.200 -0.903 0.000 0.764 664 S HN 0.827 nan 8.310 nan 0.000 0.514 665 T N -2.392 112.013 114.554 -0.249 0.000 3.065 665 T HA 0.028 4.398 4.350 0.034 0.000 0.252 665 T C 1.157 176.068 174.700 0.351 0.000 1.099 665 T CA -0.099 62.051 62.100 0.085 0.000 1.063 665 T CB -0.289 68.772 68.868 0.321 0.000 0.948 665 T HN 0.384 nan 8.240 nan 0.000 0.506 666 W N 3.577 124.952 121.300 0.126 0.000 2.465 666 W HA 0.146 4.827 4.660 0.034 0.000 0.268 666 W C 0.905 177.599 176.519 0.293 0.000 1.242 666 W CA 0.693 58.179 57.345 0.234 0.000 1.248 666 W CB -0.531 29.058 29.460 0.214 0.000 1.118 666 W HN 0.593 nan 8.180 nan 0.000 0.587 667 D N -1.673 118.972 120.400 0.408 0.000 2.571 667 D HA 0.106 4.766 4.640 0.034 0.000 0.239 667 D C -0.145 176.367 176.300 0.354 0.000 1.267 667 D CA -0.100 54.133 54.000 0.388 0.000 0.823 667 D CB -0.760 40.211 40.800 0.285 0.000 1.056 667 D HN -0.243 nan 8.370 nan 0.000 0.494 668 V N 2.102 122.183 119.914 0.279 0.000 2.470 668 V HA 0.197 4.337 4.120 0.034 0.000 0.276 668 V C 0.529 176.765 176.094 0.237 0.000 1.040 668 V CA 0.089 62.483 62.300 0.157 0.000 1.008 668 V CB 0.339 32.228 31.823 0.111 0.000 0.990 668 V HN 0.531 nan 8.190 nan 0.000 0.477 669 H N 1.876 121.052 119.070 0.177 0.000 3.182 669 H HA 0.339 4.916 4.556 0.034 0.000 0.254 669 H C 0.789 176.203 175.328 0.143 0.000 1.197 669 H CA -0.335 55.809 56.048 0.160 0.000 1.061 669 H CB 0.060 29.958 29.762 0.226 0.000 1.722 669 H HN 0.480 nan 8.280 nan 0.000 0.662 670 Q N 0.509 120.213 119.800 -0.159 0.000 2.282 670 Q HA 0.316 4.676 4.340 0.034 0.000 0.206 670 Q C -0.188 175.836 176.000 0.041 0.000 0.878 670 Q CA 0.241 56.011 55.803 -0.055 0.000 0.944 670 Q CB 1.040 29.690 28.738 -0.146 0.000 1.100 670 Q HN 0.537 nan 8.270 nan 0.000 0.509 671 Q N -0.359 119.490 119.800 0.082 0.000 2.456 671 Q HA 0.674 5.034 4.340 0.034 0.000 0.283 671 Q C -1.149 174.994 176.000 0.239 0.000 1.084 671 Q CA -0.993 54.855 55.803 0.074 0.000 0.801 671 Q CB 2.284 30.997 28.738 -0.042 0.000 1.434 671 Q HN 0.157 nan 8.270 nan 0.000 0.419 672 F N -1.653 118.293 119.950 -0.005 0.000 2.754 672 F HA 0.750 5.297 4.527 0.033 0.000 0.320 672 F C -1.910 173.933 175.800 0.073 0.000 1.156 672 F CA -1.375 56.647 58.000 0.038 0.000 0.950 672 F CB 1.082 40.113 39.000 0.052 0.000 1.388 672 F HN 0.304 nan 8.300 nan 0.000 0.485 673 L N 1.043 122.415 121.223 0.249 0.000 2.334 673 L HA 0.383 4.744 4.340 0.034 0.000 0.273 673 L C -1.343 175.796 176.870 0.448 0.000 1.013 673 L CA -0.702 54.269 54.840 0.217 0.000 0.816 673 L CB 1.416 43.648 42.059 0.288 0.000 1.278 673 L HN 0.544 nan 8.230 nan 0.000 0.431 674 W N 2.468 123.869 121.300 0.167 0.000 2.358 674 W HA 0.499 5.179 4.660 0.033 0.000 0.307 674 W C 0.943 177.604 176.519 0.236 0.000 1.203 674 W CA 0.046 57.531 57.345 0.232 0.000 1.279 674 W CB 0.094 29.746 29.460 0.320 0.000 1.264 674 W HN 0.804 nan 8.180 nan 0.000 0.474 675 G N 5.657 114.617 108.800 0.267 0.000 2.594 675 G HA2 -0.300 3.680 3.960 0.034 0.000 0.297 675 G HA3 -0.300 3.680 3.960 0.034 0.000 0.297 675 G C -1.272 173.767 174.900 0.231 0.000 1.273 675 G CA 0.334 45.541 45.100 0.178 0.000 0.974 675 G HN 0.353 nan 8.290 nan 0.000 0.552 676 P HA 0.146 nan 4.420 nan 0.000 0.235 676 P C 1.373 178.607 177.300 -0.109 0.000 1.177 676 P CA 2.088 65.175 63.100 -0.020 0.000 0.785 676 P CB 0.129 31.742 31.700 -0.145 0.000 0.885 677 G N -0.629 108.271 108.800 0.167 0.000 2.848 677 G HA2 0.211 4.191 3.960 0.034 0.000 0.213 677 G HA3 0.211 4.191 3.960 0.034 0.000 0.213 677 G C -0.020 175.217 174.900 0.562 0.000 1.101 677 G CA 0.163 45.430 45.100 0.279 0.000 0.778 677 G HN 0.199 nan 8.290 nan 0.000 0.536 678 L N 1.496 123.012 121.223 0.488 0.000 2.298 678 L HA 0.714 5.074 4.340 0.034 0.000 0.284 678 L C -1.119 175.812 176.870 0.102 0.000 1.013 678 L CA -1.109 53.862 54.840 0.219 0.000 0.824 678 L CB 1.782 43.895 42.059 0.090 0.000 1.221 678 L HN -0.056 nan 8.230 nan 0.000 0.418 679 L N 6.647 127.883 121.223 0.022 0.000 2.264 679 L HA 0.589 4.949 4.340 0.034 0.000 0.289 679 L C -0.893 175.742 176.870 -0.392 0.000 1.044 679 L CA 0.163 54.876 54.840 -0.211 0.000 0.807 679 L CB 0.874 42.630 42.059 -0.505 0.000 1.192 679 L HN 0.572 nan 8.230 nan 0.000 0.425 680 I N 4.542 124.777 120.570 -0.559 0.000 2.339 680 I HA 0.361 4.551 4.170 0.034 0.000 0.290 680 I C -0.197 175.631 176.117 -0.481 0.000 0.994 680 I CA -0.033 60.840 61.300 -0.713 0.000 1.191 680 I CB 1.600 38.911 38.000 -1.147 0.000 1.343 680 I HN 0.546 nan 8.210 nan 0.000 0.458 681 T N 7.234 121.576 114.554 -0.353 0.000 3.060 681 T HA 0.343 4.713 4.350 0.034 0.000 0.367 681 T C -2.538 172.053 174.700 -0.181 0.000 1.229 681 T CA -1.286 60.682 62.100 -0.221 0.000 1.104 681 T CB 0.680 69.440 68.868 -0.179 0.000 1.083 681 T HN 0.298 nan 8.240 nan 0.000 0.524 682 P HA 0.311 nan 4.420 nan 0.000 0.277 682 P C -0.277 176.990 177.300 -0.056 0.000 1.240 682 P CA -0.455 62.589 63.100 -0.095 0.000 0.798 682 P CB 1.019 32.694 31.700 -0.040 0.000 0.979 683 V N 4.164 124.058 119.914 -0.034 0.000 2.488 683 V HA 0.074 4.214 4.120 0.034 0.000 0.277 683 V C 1.381 177.521 176.094 0.076 0.000 1.046 683 V CA 0.351 62.654 62.300 0.005 0.000 0.986 683 V CB 0.263 32.097 31.823 0.018 0.000 0.989 683 V HN 0.459 nan 8.190 nan 0.000 0.475 684 L N 3.735 125.001 121.223 0.072 0.000 3.184 684 L HA 0.444 4.804 4.340 0.034 0.000 0.283 684 L C -0.230 176.742 176.870 0.169 0.000 1.218 684 L CA 0.131 55.055 54.840 0.140 0.000 1.028 684 L CB 0.487 42.575 42.059 0.049 0.000 1.400 684 L HN 0.594 nan 8.230 nan 0.000 0.591 685 D N 1.125 121.497 120.400 -0.046 0.000 2.649 685 D HA 0.129 4.789 4.640 0.034 0.000 0.249 685 D C -0.587 175.145 176.300 -0.947 0.000 1.112 685 D CA -0.329 53.435 54.000 -0.393 0.000 0.850 685 D CB 2.569 43.219 40.800 -0.249 0.000 1.399 685 D HN 0.019 nan 8.370 nan 0.000 0.503 686 E N 0.429 119.617 120.200 -1.686 0.000 2.558 686 E HA 0.174 4.544 4.350 0.034 0.000 0.255 686 E C 1.022 177.213 176.600 -0.681 0.000 0.968 686 E CA 0.704 56.096 56.400 -1.679 0.000 0.939 686 E CB 0.234 29.053 29.700 -1.469 0.000 0.921 686 E HN 0.755 nan 8.360 nan 0.000 0.477 687 G N 2.492 111.046 108.800 -0.410 0.000 2.179 687 G HA2 -0.321 3.660 3.960 0.034 0.000 0.260 687 G HA3 -0.321 3.660 3.960 0.034 0.000 0.260 687 G C 0.223 175.029 174.900 -0.158 0.000 0.977 687 G CA 0.119 45.097 45.100 -0.204 0.000 0.641 687 G HN 0.862 nan 8.290 nan 0.000 0.533 688 A N -0.101 122.606 122.820 -0.189 0.000 2.340 688 A HA 0.729 5.069 4.320 0.034 0.000 0.268 688 A C 0.678 178.221 177.584 -0.068 0.000 1.100 688 A CA 0.326 52.288 52.037 -0.125 0.000 0.803 688 A CB 0.493 19.409 19.000 -0.140 0.000 1.043 688 A HN 0.366 nan 8.150 nan 0.000 0.488 689 E N 0.331 120.500 120.200 -0.052 0.000 2.812 689 E HA 0.122 4.492 4.350 0.034 0.000 0.211 689 E C -0.475 176.107 176.600 -0.029 0.000 0.986 689 E CA -0.019 56.364 56.400 -0.028 0.000 1.119 689 E CB 0.315 30.003 29.700 -0.019 0.000 1.046 689 E HN 0.743 nan 8.360 nan 0.000 0.474 690 K N -1.340 119.032 120.400 -0.046 0.000 2.533 690 K HA 0.651 4.991 4.320 0.034 0.000 0.284 690 K C -1.438 175.120 176.600 -0.071 0.000 1.025 690 K CA -0.854 55.401 56.287 -0.053 0.000 0.900 690 K CB 2.398 34.863 32.500 -0.058 0.000 1.519 690 K HN -0.080 nan 8.250 nan 0.000 0.432 691 V N 1.668 121.529 119.914 -0.090 0.000 2.851 691 V HA 0.366 4.506 4.120 0.034 0.000 0.307 691 V C -1.337 174.674 176.094 -0.138 0.000 1.129 691 V CA -0.954 61.285 62.300 -0.102 0.000 0.932 691 V CB 2.172 33.940 31.823 -0.092 0.000 1.024 691 V HN 0.784 nan 8.190 nan 0.000 0.426 692 M N 5.223 124.747 119.600 -0.126 0.000 2.251 692 M HA 0.568 5.068 4.480 0.034 0.000 0.346 692 M C 0.121 176.334 176.300 -0.146 0.000 1.499 692 M CA 0.446 55.660 55.300 -0.142 0.000 1.128 692 M CB 0.187 32.723 32.600 -0.106 0.000 1.809 692 M HN 0.834 nan 8.290 nan 0.000 0.464 693 A N 4.417 127.119 122.820 -0.197 0.000 2.498 693 A HA 0.663 5.003 4.320 0.034 0.000 0.298 693 A C -1.832 175.649 177.584 -0.173 0.000 1.075 693 A CA -0.666 51.257 52.037 -0.190 0.000 0.714 693 A CB 1.382 20.228 19.000 -0.258 0.000 1.299 693 A HN 0.654 nan 8.150 nan 0.000 0.407 694 Y N 1.485 121.634 120.300 -0.251 0.000 2.326 694 Y HA 0.503 5.073 4.550 0.034 0.000 0.337 694 Y C -0.404 175.298 175.900 -0.330 0.000 1.023 694 Y CA -0.389 57.562 58.100 -0.248 0.000 1.143 694 Y CB 1.439 39.799 38.460 -0.166 0.000 1.183 694 Y HN 0.396 nan 8.280 nan 0.000 0.485 695 V N 9.807 129.135 119.914 -0.978 0.000 2.318 695 V HA 0.294 4.434 4.120 0.034 0.000 0.271 695 V C -2.119 173.440 176.094 -0.892 0.000 1.030 695 V CA -1.979 59.821 62.300 -0.834 0.000 0.844 695 V CB 0.664 32.192 31.823 -0.491 0.000 1.015 695 V HN 0.725 nan 8.190 nan 0.000 0.460 696 P HA 0.050 nan 4.420 nan 0.000 0.272 696 P C -0.189 177.002 177.300 -0.182 0.000 1.254 696 P CA -0.345 62.465 63.100 -0.485 0.000 0.795 696 P CB 0.489 31.491 31.700 -1.165 0.000 1.022 697 D N 0.010 120.310 120.400 -0.166 0.000 2.600 697 D HA 0.367 5.027 4.640 0.034 0.000 0.226 697 D C -0.697 175.640 176.300 0.061 0.000 1.119 697 D CA 0.369 54.380 54.000 0.018 0.000 1.051 697 D CB -1.232 39.632 40.800 0.107 0.000 1.106 697 D HN 0.307 nan 8.370 nan 0.000 0.491 698 A N 1.344 124.153 122.820 -0.019 0.000 2.602 698 A HA 0.531 4.871 4.320 0.034 0.000 0.290 698 A C -0.917 176.440 177.584 -0.377 0.000 1.114 698 A CA -0.721 51.191 52.037 -0.208 0.000 0.683 698 A CB 1.048 19.795 19.000 -0.422 0.000 1.281 698 A HN 0.045 nan 8.150 nan 0.000 0.416 699 V N 0.421 120.102 119.914 -0.388 0.000 2.572 699 V HA 0.245 4.385 4.120 0.034 0.000 0.291 699 V C -0.718 174.963 176.094 -0.687 0.000 1.039 699 V CA 0.771 62.822 62.300 -0.414 0.000 1.055 699 V CB -0.044 31.601 31.823 -0.298 0.000 0.969 699 V HN 0.704 nan 8.190 nan 0.000 0.482 700 W N 3.901 125.004 121.300 -0.329 0.000 2.819 700 W HA 0.664 5.344 4.660 0.034 0.000 0.337 700 W C -1.001 175.272 176.519 -0.410 0.000 1.077 700 W CA -0.594 56.617 57.345 -0.224 0.000 1.226 700 W CB 1.495 30.876 29.460 -0.132 0.000 1.419 700 W HN 0.417 nan 8.180 nan 0.000 0.502 701 Y N 1.088 121.599 120.300 0.352 0.000 2.376 701 Y HA 0.200 4.770 4.550 0.034 0.000 0.340 701 Y C 0.106 176.132 175.900 0.211 0.000 0.965 701 Y CA -1.292 56.931 58.100 0.204 0.000 1.078 701 Y CB 1.322 39.840 38.460 0.097 0.000 1.193 701 Y HN 0.331 nan 8.280 nan 0.000 0.452 702 D N 1.651 122.205 120.400 0.257 0.000 2.472 702 D HA -0.142 4.518 4.640 0.034 0.000 0.248 702 D C 0.816 177.097 176.300 -0.032 0.000 1.174 702 D CA 0.529 54.511 54.000 -0.030 0.000 0.883 702 D CB 0.454 41.239 40.800 -0.025 0.000 1.149 702 D HN 0.583 nan 8.370 nan 0.000 0.488 703 Y N 3.945 124.132 120.300 -0.190 0.000 2.165 703 Y HA -0.225 4.345 4.550 0.034 0.000 0.286 703 Y C 1.681 177.529 175.900 -0.087 0.000 1.155 703 Y CA 1.801 59.816 58.100 -0.141 0.000 1.164 703 Y CB 0.198 38.543 38.460 -0.192 0.000 0.978 703 Y HN 0.562 nan 8.280 nan 0.000 0.513 704 E N -1.044 119.154 120.200 -0.003 0.000 2.046 704 E HA -0.144 4.227 4.350 0.034 0.000 0.190 704 E C 2.118 178.655 176.600 -0.105 0.000 0.982 704 E CA 1.891 58.284 56.400 -0.011 0.000 0.800 704 E CB -0.329 29.439 29.700 0.113 0.000 0.756 704 E HN 0.635 nan 8.360 nan 0.000 0.449 705 T N -3.297 111.208 114.554 -0.081 0.000 3.037 705 T HA 0.253 4.624 4.350 0.034 0.000 0.252 705 T C 1.653 176.295 174.700 -0.098 0.000 1.073 705 T CA 0.759 62.811 62.100 -0.079 0.000 1.091 705 T CB 0.631 69.469 68.868 -0.049 0.000 0.935 705 T HN 0.299 nan 8.240 nan 0.000 0.488 706 G N 1.748 110.489 108.800 -0.098 0.000 2.205 706 G HA2 -0.292 3.688 3.960 0.034 0.000 0.261 706 G HA3 -0.292 3.688 3.960 0.034 0.000 0.261 706 G C 0.348 175.276 174.900 0.046 0.000 0.980 706 G CA 0.385 45.437 45.100 -0.080 0.000 0.632 706 G HN 1.382 nan 8.290 nan 0.000 0.533 707 S N 0.011 115.738 115.700 0.045 0.000 2.549 707 S HA 0.518 5.008 4.470 0.034 0.000 0.279 707 S C 0.270 174.956 174.600 0.144 0.000 1.321 707 S CA 0.355 58.600 58.200 0.075 0.000 1.054 707 S CB 1.717 64.910 63.200 -0.011 0.000 0.899 707 S HN 0.731 nan 8.310 nan 0.000 0.497 708 Q N 2.023 121.912 119.800 0.148 0.000 2.311 708 Q HA 0.306 4.666 4.340 0.034 0.000 0.272 708 Q C 0.121 176.017 176.000 -0.174 0.000 1.012 708 Q CA -0.696 55.066 55.803 -0.067 0.000 0.891 708 Q CB 0.657 29.331 28.738 -0.107 0.000 1.201 708 Q HN 0.811 nan 8.270 nan 0.000 0.391 709 V N 2.733 122.505 119.914 -0.236 0.000 2.881 709 V HA 0.257 4.397 4.120 0.034 0.000 0.303 709 V C 0.685 176.498 176.094 -0.468 0.000 1.070 709 V CA -0.014 62.012 62.300 -0.457 0.000 1.074 709 V CB 1.302 32.802 31.823 -0.538 0.000 1.012 709 V HN 1.017 nan 8.190 nan 0.000 0.482 710 R N 2.209 122.286 120.500 -0.706 0.000 2.310 710 R HA 0.239 4.599 4.340 0.034 0.000 0.202 710 R C -0.224 175.921 176.300 -0.258 0.000 0.933 710 R CA -0.277 55.571 56.100 -0.420 0.000 1.054 710 R CB 0.106 30.195 30.300 -0.351 0.000 0.985 710 R HN 0.720 nan 8.270 nan 0.000 0.489 711 W N 1.530 122.779 121.300 -0.084 0.000 2.512 711 W HA 0.550 5.230 4.660 0.033 0.000 0.335 711 W C -0.062 176.399 176.519 -0.096 0.000 1.088 711 W CA -1.282 55.996 57.345 -0.112 0.000 1.236 711 W CB 0.781 30.137 29.460 -0.174 0.000 1.307 711 W HN 0.002 nan 8.180 nan 0.000 0.567 712 R N 2.096 122.667 120.500 0.118 0.000 2.522 712 R HA 0.146 4.507 4.340 0.034 0.000 0.273 712 R C -0.315 175.961 176.300 -0.041 0.000 1.133 712 R CA -0.760 55.366 56.100 0.044 0.000 0.969 712 R CB 1.042 31.364 30.300 0.037 0.000 1.235 712 R HN 0.584 nan 8.270 nan 0.000 0.433 713 K N 3.278 123.592 120.400 -0.143 0.000 3.393 713 K HA -0.237 4.103 4.320 0.034 0.000 0.272 713 K C -1.700 174.804 176.600 -0.158 0.000 1.004 713 K CA 1.794 57.989 56.287 -0.154 0.000 0.764 713 K CB -0.778 31.730 32.500 0.012 0.000 1.373 713 K HN 0.811 nan 8.250 nan 0.000 0.458 714 Q N -0.206 119.310 119.800 -0.473 0.000 2.666 714 Q HA 0.325 4.686 4.340 0.034 0.000 0.276 714 Q C -1.485 174.311 176.000 -0.340 0.000 0.952 714 Q CA -1.405 54.278 55.803 -0.200 0.000 0.850 714 Q CB 0.858 29.531 28.738 -0.109 0.000 1.512 714 Q HN 0.046 nan 8.270 nan 0.000 0.395 715 K N 1.225 121.606 120.400 -0.031 0.000 2.298 715 K HA 0.480 4.820 4.320 0.034 0.000 0.280 715 K C -0.247 176.186 176.600 -0.278 0.000 1.032 715 K CA -0.084 56.160 56.287 -0.071 0.000 0.958 715 K CB 1.406 33.914 32.500 0.014 0.000 0.978 715 K HN 0.533 nan 8.250 nan 0.000 0.472 716 V N -0.381 119.283 119.914 -0.416 0.000 3.114 716 V HA 0.389 4.530 4.120 0.034 0.000 0.308 716 V C -0.917 174.884 176.094 -0.490 0.000 1.168 716 V CA -1.083 60.841 62.300 -0.626 0.000 1.015 716 V CB 1.935 32.968 31.823 -1.317 0.000 1.050 716 V HN 0.767 nan 8.190 nan 0.000 0.433 717 E N 2.567 122.514 120.200 -0.422 0.000 2.014 717 E HA 0.440 4.810 4.350 0.034 0.000 0.275 717 E C -0.486 175.936 176.600 -0.297 0.000 0.997 717 E CA -0.350 55.882 56.400 -0.281 0.000 0.804 717 E CB 1.049 30.647 29.700 -0.171 0.000 1.090 717 E HN 0.786 nan 8.360 nan 0.000 0.401 718 M N 3.579 123.010 119.600 -0.283 0.000 2.146 718 M HA 0.141 4.641 4.480 0.034 0.000 0.357 718 M C -0.515 175.758 176.300 -0.046 0.000 1.261 718 M CA -0.392 54.799 55.300 -0.180 0.000 1.106 718 M CB 0.717 33.215 32.600 -0.170 0.000 1.612 718 M HN 0.319 nan 8.290 nan 0.000 0.470 719 E N 6.491 126.717 120.200 0.043 0.000 2.180 719 E HA 0.286 4.656 4.350 0.034 0.000 0.283 719 E C -1.122 175.502 176.600 0.039 0.000 1.061 719 E CA 0.048 56.469 56.400 0.036 0.000 0.861 719 E CB 0.609 30.345 29.700 0.059 0.000 1.056 719 E HN 0.657 nan 8.360 nan 0.000 0.407 720 L N 5.907 127.137 121.223 0.013 0.000 2.514 720 L HA 0.256 4.617 4.340 0.034 0.000 0.257 720 L C -2.266 174.610 176.870 0.010 0.000 1.101 720 L CA -1.747 53.100 54.840 0.013 0.000 0.911 720 L CB 1.759 43.812 42.059 -0.010 0.000 1.162 720 L HN 0.182 nan 8.230 nan 0.000 0.477 721 P HA 0.050 nan 4.420 nan 0.000 0.282 721 P C 1.034 178.349 177.300 0.026 0.000 1.286 721 P CA -0.155 62.954 63.100 0.016 0.000 0.777 721 P CB 0.853 32.562 31.700 0.014 0.000 1.184 722 G N 0.313 109.128 108.800 0.026 0.000 2.501 722 G HA2 -0.219 3.761 3.960 0.034 0.000 0.220 722 G HA3 -0.219 3.761 3.960 0.034 0.000 0.220 722 G C 0.709 175.638 174.900 0.048 0.000 1.114 722 G CA 0.769 45.892 45.100 0.037 0.000 0.757 722 G HN 0.641 nan 8.290 nan 0.000 0.559 723 D N -0.924 119.506 120.400 0.051 0.000 2.368 723 D HA 0.130 4.791 4.640 0.034 0.000 0.218 723 D C 0.370 176.778 176.300 0.180 0.000 1.112 723 D CA 0.037 54.084 54.000 0.078 0.000 0.834 723 D CB 0.359 41.166 40.800 0.012 0.000 0.953 723 D HN -0.027 nan 8.370 nan 0.000 0.505 724 K N 0.580 121.064 120.400 0.140 0.000 2.426 724 K HA 0.545 4.885 4.320 0.034 0.000 0.251 724 K C -0.853 175.730 176.600 -0.028 0.000 0.941 724 K CA -0.824 55.560 56.287 0.161 0.000 0.808 724 K CB 2.998 35.559 32.500 0.101 0.000 1.265 724 K HN 0.106 nan 8.250 nan 0.000 0.432 725 I N -0.517 119.925 120.570 -0.213 0.000 2.689 725 I HA 0.473 4.663 4.170 0.034 0.000 0.299 725 I C -0.082 175.884 176.117 -0.251 0.000 1.059 725 I CA -0.621 60.484 61.300 -0.324 0.000 1.055 725 I CB 2.015 39.676 38.000 -0.566 0.000 1.243 725 I HN 0.634 nan 8.210 nan 0.000 0.425 726 G N 7.365 116.043 108.800 -0.204 0.000 2.361 726 G HA2 0.501 4.482 3.960 0.034 0.000 0.260 726 G HA3 0.501 4.482 3.960 0.034 0.000 0.260 726 G C -1.031 173.685 174.900 -0.307 0.000 1.261 726 G CA -0.320 44.689 45.100 -0.152 0.000 0.897 726 G HN 0.537 nan 8.290 nan 0.000 0.499 727 L N 2.694 123.683 121.223 -0.391 0.000 2.439 727 L HA 0.415 4.775 4.340 0.034 0.000 0.270 727 L C -0.958 175.620 176.870 -0.487 0.000 0.972 727 L CA -0.828 53.738 54.840 -0.457 0.000 0.836 727 L CB 2.230 44.002 42.059 -0.478 0.000 1.255 727 L HN 0.607 nan 8.230 nan 0.000 0.404 728 H N 2.915 121.911 119.070 -0.124 0.000 2.717 728 H HA 0.602 5.179 4.556 0.034 0.000 0.366 728 H C -0.983 174.496 175.328 0.251 0.000 1.132 728 H CA -0.489 55.608 56.048 0.080 0.000 1.180 728 H CB 2.332 32.101 29.762 0.012 0.000 1.678 728 H HN 0.357 nan 8.280 nan 0.000 0.537 729 L N 2.318 123.804 121.223 0.438 0.000 2.295 729 L HA 0.466 4.827 4.340 0.034 0.000 0.285 729 L C 0.362 177.560 176.870 0.547 0.000 1.035 729 L CA -0.720 54.323 54.840 0.338 0.000 0.806 729 L CB 1.467 43.565 42.059 0.066 0.000 1.214 729 L HN 0.429 nan 8.230 nan 0.000 0.426 730 R N 1.740 122.490 120.500 0.417 0.000 2.347 730 R HA 0.277 4.637 4.340 0.034 0.000 0.304 730 R C 0.263 176.711 176.300 0.247 0.000 1.072 730 R CA -0.316 55.710 56.100 -0.123 0.000 0.980 730 R CB 0.925 31.077 30.300 -0.247 0.000 0.986 730 R HN 0.813 nan 8.270 nan 0.000 0.448 731 G N 1.651 110.496 108.800 0.076 0.000 2.353 731 G HA2 0.328 4.308 3.960 0.034 0.000 0.239 731 G HA3 0.328 4.308 3.960 0.034 0.000 0.239 731 G C 0.809 175.839 174.900 0.216 0.000 1.295 731 G CA 0.289 45.543 45.100 0.257 0.000 0.884 731 G HN 0.948 nan 8.290 nan 0.000 0.537 732 G N 0.479 109.369 108.800 0.150 0.000 2.184 732 G HA2 -0.197 3.783 3.960 0.034 0.000 0.206 732 G HA3 -0.197 3.783 3.960 0.034 0.000 0.206 732 G C -0.039 174.612 174.900 -0.416 0.000 0.995 732 G CA 0.220 45.258 45.100 -0.104 0.000 0.651 732 G HN 0.810 nan 8.290 nan 0.000 0.511 733 Y N -0.313 119.988 120.300 0.001 0.000 2.462 733 Y HA 0.747 5.317 4.550 0.034 0.000 0.346 733 Y C 0.452 176.155 175.900 -0.328 0.000 0.976 733 Y CA -1.111 56.869 58.100 -0.201 0.000 1.044 733 Y CB 1.734 40.010 38.460 -0.306 0.000 1.230 733 Y HN 0.081 nan 8.280 nan 0.000 0.455 734 I N 3.637 124.033 120.570 -0.289 0.000 2.406 734 I HA 0.350 4.540 4.170 0.034 0.000 0.290 734 I C -1.376 174.540 176.117 -0.335 0.000 0.999 734 I CA -0.602 60.578 61.300 -0.199 0.000 1.124 734 I CB 1.182 39.164 38.000 -0.030 0.000 1.289 734 I HN 0.397 nan 8.210 nan 0.000 0.441 735 F N 7.311 127.281 119.950 0.033 0.000 2.402 735 F HA 0.435 4.982 4.527 0.034 0.000 0.355 735 F C -2.151 173.708 175.800 0.098 0.000 1.123 735 F CA -2.503 55.509 58.000 0.019 0.000 1.021 735 F CB 1.243 40.178 39.000 -0.109 0.000 1.160 735 F HN 0.204 nan 8.300 nan 0.000 0.451 736 P HA 0.246 nan 4.420 nan 0.000 0.279 736 P C -0.510 177.055 177.300 0.441 0.000 1.239 736 P CA -0.183 63.154 63.100 0.395 0.000 0.789 736 P CB 1.746 33.796 31.700 0.584 0.000 0.933 737 T N -0.400 114.367 114.554 0.355 0.000 2.864 737 T HA 0.618 4.988 4.350 0.034 0.000 0.289 737 T C -1.048 173.802 174.700 0.251 0.000 1.082 737 T CA -0.753 61.543 62.100 0.326 0.000 1.009 737 T CB 1.984 71.012 68.868 0.266 0.000 1.234 737 T HN 0.498 nan 8.240 nan 0.000 0.526 738 Q N 0.376 120.317 119.800 0.236 0.000 2.295 738 Q HA 0.291 4.651 4.340 0.034 0.000 0.268 738 Q C -1.199 174.903 176.000 0.169 0.000 1.010 738 Q CA -0.587 55.313 55.803 0.162 0.000 0.856 738 Q CB 2.246 31.095 28.738 0.184 0.000 1.349 738 Q HN 0.846 nan 8.270 nan 0.000 0.412 739 Q N 4.929 124.797 119.800 0.114 0.000 2.283 739 Q HA 0.107 4.468 4.340 0.034 0.000 0.301 739 Q C -2.052 174.031 176.000 0.139 0.000 1.063 739 Q CA -0.871 54.996 55.803 0.106 0.000 0.952 739 Q CB 0.624 29.400 28.738 0.063 0.000 1.166 739 Q HN 0.388 nan 8.270 nan 0.000 0.381 740 P HA 0.196 nan 4.420 nan 0.000 0.276 740 P C -0.982 176.399 177.300 0.135 0.000 1.252 740 P CA -0.344 62.872 63.100 0.193 0.000 0.802 740 P CB 1.003 32.805 31.700 0.169 0.000 1.035 741 N N -1.191 117.608 118.700 0.165 0.000 2.774 741 N HA 0.185 4.945 4.740 0.034 0.000 0.264 741 N C 0.739 176.280 175.510 0.051 0.000 1.415 741 N CA -0.370 52.735 53.050 0.091 0.000 0.815 741 N CB 0.870 39.417 38.487 0.100 0.000 1.514 741 N HN 0.318 nan 8.380 nan 0.000 0.523 742 T N -2.982 111.578 114.554 0.010 0.000 3.113 742 T HA 0.079 4.450 4.350 0.034 0.000 0.263 742 T C 0.739 175.476 174.700 0.062 0.000 1.143 742 T CA 1.040 63.119 62.100 -0.035 0.000 1.090 742 T CB -0.673 68.192 68.868 -0.005 0.000 0.922 742 T HN 0.615 nan 8.240 nan 0.000 0.521 743 T N -1.797 112.851 114.554 0.156 0.000 2.903 743 T HA 0.496 4.867 4.350 0.034 0.000 0.299 743 T C 1.094 175.971 174.700 0.296 0.000 1.093 743 T CA -0.104 62.132 62.100 0.227 0.000 1.002 743 T CB 1.822 70.734 68.868 0.073 0.000 1.127 743 T HN 0.096 nan 8.240 nan 0.000 0.488 744 T N 0.363 115.093 114.554 0.293 0.000 2.904 744 T HA -0.088 4.282 4.350 0.034 0.000 0.267 744 T C 1.942 176.740 174.700 0.164 0.000 1.059 744 T CA 0.984 63.241 62.100 0.262 0.000 1.137 744 T CB -0.555 68.493 68.868 0.299 0.000 0.879 744 T HN 0.468 nan 8.240 nan 0.000 0.467 745 L N 2.117 123.398 121.223 0.098 0.000 1.997 745 L HA -0.052 4.309 4.340 0.034 0.000 0.216 745 L C 2.800 179.695 176.870 0.041 0.000 1.074 745 L CA 2.320 57.179 54.840 0.031 0.000 0.763 745 L CB -1.226 40.821 42.059 -0.021 0.000 0.890 745 L HN 0.371 nan 8.230 nan 0.000 0.434 746 A N -1.364 121.493 122.820 0.061 0.000 1.930 746 A HA -0.106 4.235 4.320 0.034 0.000 0.215 746 A C 2.417 180.057 177.584 0.093 0.000 1.176 746 A CA 1.514 53.588 52.037 0.060 0.000 0.632 746 A CB -0.995 18.035 19.000 0.051 0.000 0.819 746 A HN 0.672 nan 8.150 nan 0.000 0.445 747 S N 0.193 115.984 115.700 0.151 0.000 2.399 747 S HA -0.177 4.313 4.470 0.034 0.000 0.231 747 S C 1.876 176.577 174.600 0.167 0.000 1.022 747 S CA 1.171 59.484 58.200 0.188 0.000 0.983 747 S CB -0.501 62.878 63.200 0.298 0.000 0.803 747 S HN 0.587 nan 8.310 nan 0.000 0.480 748 R N 1.405 121.990 120.500 0.141 0.000 2.241 748 R HA 0.088 4.448 4.340 0.034 0.000 0.224 748 R C 1.822 178.201 176.300 0.132 0.000 1.101 748 R CA 1.173 57.358 56.100 0.142 0.000 0.995 748 R CB -0.185 30.100 30.300 -0.025 0.000 0.870 748 R HN 0.528 nan 8.270 nan 0.000 0.463 749 K N -0.158 120.286 120.400 0.074 0.000 2.444 749 K HA 0.065 4.405 4.320 0.034 0.000 0.193 749 K C 0.154 176.757 176.600 0.005 0.000 1.024 749 K CA -0.006 56.302 56.287 0.035 0.000 1.077 749 K CB 0.184 32.699 32.500 0.025 0.000 0.833 749 K HN 0.065 nan 8.250 nan 0.000 0.517 750 N N 1.489 120.199 118.700 0.017 0.000 2.463 750 N HA 0.189 4.949 4.740 0.034 0.000 0.270 750 N C -2.671 172.809 175.510 -0.050 0.000 1.205 750 N CA -2.094 50.957 53.050 0.002 0.000 0.974 750 N CB 0.302 38.813 38.487 0.040 0.000 1.197 750 N HN -0.217 nan 8.380 nan 0.000 0.504 751 P HA 0.024 nan 4.420 nan 0.000 0.265 751 P C -0.277 176.970 177.300 -0.088 0.000 1.187 751 P CA 0.406 63.457 63.100 -0.081 0.000 0.766 751 P CB 0.498 32.175 31.700 -0.039 0.000 0.820 752 L N 1.863 122.977 121.223 -0.182 0.000 2.431 752 L HA 0.781 5.141 4.340 0.034 0.000 0.260 752 L C 1.205 178.120 176.870 0.074 0.000 1.098 752 L CA -0.133 54.614 54.840 -0.156 0.000 0.800 752 L CB 0.796 42.495 42.059 -0.600 0.000 1.210 752 L HN 0.441 nan 8.230 nan 0.000 0.465 753 G N 0.300 109.239 108.800 0.232 0.000 2.695 753 G HA2 0.724 4.704 3.960 0.034 0.000 0.290 753 G HA3 0.724 4.704 3.960 0.034 0.000 0.290 753 G C -1.738 173.290 174.900 0.214 0.000 1.410 753 G CA -0.582 44.650 45.100 0.220 0.000 0.844 753 G HN 0.350 nan 8.290 nan 0.000 0.478 754 L N 0.191 121.420 121.223 0.010 0.000 2.401 754 L HA 0.579 4.939 4.340 0.034 0.000 0.266 754 L C -0.769 176.063 176.870 -0.064 0.000 0.991 754 L CA -0.806 53.950 54.840 -0.139 0.000 0.818 754 L CB 2.513 44.306 42.059 -0.445 0.000 1.321 754 L HN 0.327 nan 8.230 nan 0.000 0.413 755 I N 3.930 124.513 120.570 0.022 0.000 2.355 755 I HA 0.387 4.577 4.170 0.034 0.000 0.288 755 I C -0.487 175.685 176.117 0.091 0.000 0.999 755 I CA -0.333 60.998 61.300 0.051 0.000 1.163 755 I CB 1.804 39.867 38.000 0.105 0.000 1.316 755 I HN 0.402 nan 8.210 nan 0.000 0.454 756 I N 6.158 126.720 120.570 -0.013 0.000 2.306 756 I HA 0.378 4.569 4.170 0.034 0.000 0.288 756 I C 0.449 176.551 176.117 -0.025 0.000 1.036 756 I CA -0.321 60.974 61.300 -0.007 0.000 1.221 756 I CB 1.316 39.289 38.000 -0.046 0.000 1.385 756 I HN 0.602 nan 8.210 nan 0.000 0.472 757 A N 8.318 131.186 122.820 0.079 0.000 2.316 757 A HA 0.583 4.923 4.320 0.034 0.000 0.311 757 A C -0.127 177.528 177.584 0.118 0.000 1.339 757 A CA -0.446 51.598 52.037 0.011 0.000 0.960 757 A CB 0.094 19.302 19.000 0.346 0.000 1.152 757 A HN 0.696 nan 8.150 nan 0.000 0.547 758 L N 2.615 123.869 121.223 0.052 0.000 2.397 758 L HA 0.223 4.583 4.340 0.034 0.000 0.271 758 L C 0.643 177.652 176.870 0.232 0.000 1.148 758 L CA -0.663 54.261 54.840 0.141 0.000 0.825 758 L CB 0.627 42.755 42.059 0.115 0.000 1.117 758 L HN 0.878 nan 8.230 nan 0.000 0.456 759 D N 0.829 121.307 120.400 0.131 0.000 2.478 759 D HA 0.045 4.706 4.640 0.034 0.000 0.274 759 D C 0.632 176.978 176.300 0.076 0.000 1.234 759 D CA -0.448 53.607 54.000 0.092 0.000 1.069 759 D CB 0.512 41.336 40.800 0.040 0.000 1.113 759 D HN 0.435 nan 8.370 nan 0.000 0.571 760 E N -1.050 119.175 120.200 0.041 0.000 2.204 760 E HA -0.084 4.286 4.350 0.034 0.000 0.195 760 E C 0.907 177.528 176.600 0.033 0.000 0.990 760 E CA 0.859 57.278 56.400 0.032 0.000 0.821 760 E CB -0.257 29.453 29.700 0.016 0.000 0.750 760 E HN 0.324 nan 8.360 nan 0.000 0.477 761 N N 0.910 119.630 118.700 0.033 0.000 2.383 761 N HA -0.015 4.745 4.740 0.034 0.000 0.192 761 N C -0.462 175.074 175.510 0.042 0.000 1.141 761 N CA 0.254 53.322 53.050 0.030 0.000 0.851 761 N CB 0.450 38.950 38.487 0.022 0.000 0.976 761 N HN -0.043 nan 8.380 nan 0.000 0.465 762 K N 0.371 120.808 120.400 0.061 0.000 3.071 762 K HA -0.185 4.155 4.320 0.034 0.000 0.265 762 K C -0.573 176.084 176.600 0.095 0.000 1.060 762 K CA 0.774 57.116 56.287 0.091 0.000 0.767 762 K CB -2.045 30.511 32.500 0.095 0.000 1.241 762 K HN 0.537 nan 8.250 nan 0.000 0.486 763 E N -0.688 119.551 120.200 0.065 0.000 2.320 763 E HA 0.825 5.195 4.350 0.034 0.000 0.264 763 E C -0.545 176.067 176.600 0.021 0.000 0.923 763 E CA -0.768 55.659 56.400 0.044 0.000 0.796 763 E CB 2.152 31.861 29.700 0.015 0.000 1.262 763 E HN 0.292 nan 8.360 nan 0.000 0.428 764 A N 1.491 124.312 122.820 0.001 0.000 2.597 764 A HA 0.643 4.983 4.320 0.034 0.000 0.292 764 A C -1.631 175.917 177.584 -0.059 0.000 1.057 764 A CA -0.855 51.148 52.037 -0.056 0.000 0.674 764 A CB 1.567 20.564 19.000 -0.005 0.000 1.278 764 A HN 0.468 nan 8.150 nan 0.000 0.416 765 K N -0.182 120.139 120.400 -0.132 0.000 2.527 765 K HA 0.734 5.074 4.320 0.034 0.000 0.260 765 K C -0.258 176.343 176.600 0.002 0.000 0.937 765 K CA -0.431 55.829 56.287 -0.045 0.000 0.826 765 K CB 2.831 35.282 32.500 -0.083 0.000 1.359 765 K HN 1.419 nan 8.250 nan 0.000 0.434 766 G N 0.620 109.521 108.800 0.167 0.000 2.606 766 G HA2 0.578 4.558 3.960 0.034 0.000 0.300 766 G HA3 0.578 4.558 3.960 0.034 0.000 0.300 766 G C -1.827 173.265 174.900 0.319 0.000 1.360 766 G CA -0.657 44.612 45.100 0.281 0.000 0.783 766 G HN 0.676 nan 8.290 nan 0.000 0.484 767 E N -1.825 118.606 120.200 0.385 0.000 2.423 767 E HA 0.668 5.039 4.350 0.034 0.000 0.280 767 E C -2.209 174.639 176.600 0.414 0.000 1.030 767 E CA -1.029 55.469 56.400 0.163 0.000 0.812 767 E CB 2.434 32.242 29.700 0.179 0.000 1.313 767 E HN 0.849 nan 8.360 nan 0.000 0.456 768 L N 1.462 122.863 121.223 0.297 0.000 2.470 768 L HA 0.576 4.936 4.340 0.034 0.000 0.268 768 L C -1.939 175.184 176.870 0.423 0.000 0.964 768 L CA -0.633 54.511 54.840 0.507 0.000 0.839 768 L CB 1.788 44.266 42.059 0.698 0.000 1.276 768 L HN 0.667 nan 8.230 nan 0.000 0.403 769 F N 5.623 125.735 119.950 0.269 0.000 2.404 769 F HA 0.630 5.177 4.527 0.033 0.000 0.339 769 F C -1.306 174.714 175.800 0.367 0.000 1.105 769 F CA -0.177 57.851 58.000 0.047 0.000 1.087 769 F CB 0.945 39.709 39.000 -0.394 0.000 1.143 769 F HN 0.617 nan 8.300 nan 0.000 0.491 770 W N 8.844 129.772 121.300 -0.621 0.000 3.132 770 W HA 0.257 4.937 4.660 0.033 0.000 0.337 770 W C -1.770 174.418 176.519 -0.551 0.000 1.082 770 W CA -0.657 56.481 57.345 -0.345 0.000 1.242 770 W CB 1.815 31.260 29.460 -0.026 0.000 1.354 770 W HN 0.749 nan 8.180 nan 0.000 0.461 771 D N 1.421 121.260 120.400 -0.935 0.000 2.904 771 D HA 0.167 4.827 4.640 0.034 0.000 0.290 771 D C 0.622 176.264 176.300 -1.096 0.000 1.180 771 D CA -0.212 53.228 54.000 -0.933 0.000 1.065 771 D CB 0.050 40.462 40.800 -0.646 0.000 1.386 771 D HN 0.243 nan 8.370 nan 0.000 0.599 772 D N -1.723 118.049 120.400 -1.047 0.000 2.363 772 D HA 0.154 4.814 4.640 0.034 0.000 0.226 772 D C 1.567 177.608 176.300 -0.432 0.000 1.020 772 D CA 0.931 54.536 54.000 -0.658 0.000 0.892 772 D CB -0.317 40.222 40.800 -0.435 0.000 0.900 772 D HN 0.869 nan 8.370 nan 0.000 0.531 773 G N 0.794 109.342 108.800 -0.420 0.000 2.179 773 G HA2 -0.357 3.623 3.960 0.034 0.000 0.260 773 G HA3 -0.357 3.623 3.960 0.034 0.000 0.260 773 G C 0.686 175.502 174.900 -0.139 0.000 0.977 773 G CA 0.692 45.590 45.100 -0.336 0.000 0.641 773 G HN 0.618 nan 8.290 nan 0.000 0.533 774 E N -2.166 117.967 120.200 -0.112 0.000 2.626 774 E HA 0.131 4.501 4.350 0.034 0.000 0.198 774 E C 0.248 176.821 176.600 -0.046 0.000 0.943 774 E CA 0.337 56.703 56.400 -0.056 0.000 1.515 774 E CB 0.000 29.705 29.700 0.008 0.000 1.677 774 E HN 0.237 nan 8.360 nan 0.000 0.897 775 T N 2.292 116.810 114.554 -0.060 0.000 2.884 775 T HA 0.130 4.501 4.350 0.034 0.000 0.298 775 T C -0.243 174.442 174.700 -0.025 0.000 0.998 775 T CA -0.140 61.941 62.100 -0.033 0.000 1.124 775 T CB 1.424 70.271 68.868 -0.035 0.000 0.931 775 T HN 0.089 nan 8.240 nan 0.000 0.531 776 K N 2.345 122.741 120.400 -0.007 0.000 2.350 776 K HA 0.018 4.358 4.320 0.034 0.000 0.279 776 K C -0.013 176.600 176.600 0.021 0.000 1.027 776 K CA -0.141 56.143 56.287 -0.006 0.000 0.969 776 K CB 0.254 32.760 32.500 0.010 0.000 0.954 776 K HN 0.614 nan 8.250 nan 0.000 0.474 777 D N 2.068 122.487 120.400 0.032 0.000 2.981 777 D HA -0.163 4.497 4.640 0.034 0.000 0.223 777 D C 0.876 177.245 176.300 0.115 0.000 1.151 777 D CA 1.433 55.487 54.000 0.091 0.000 0.827 777 D CB -1.331 39.520 40.800 0.085 0.000 1.101 777 D HN 0.891 nan 8.370 nan 0.000 0.426 778 T N -3.471 111.143 114.554 0.100 0.000 2.822 778 T HA -0.169 4.202 4.350 0.034 0.000 0.270 778 T C 1.927 176.798 174.700 0.285 0.000 1.064 778 T CA 1.625 63.815 62.100 0.150 0.000 1.131 778 T CB -0.195 68.725 68.868 0.088 0.000 0.858 778 T HN 0.199 nan 8.240 nan 0.000 0.483 779 V N 1.949 122.017 119.914 0.256 0.000 2.302 779 V HA 0.089 4.229 4.120 0.034 0.000 0.243 779 V C 3.250 179.523 176.094 0.299 0.000 1.036 779 V CA 1.348 63.818 62.300 0.283 0.000 1.020 779 V CB -1.405 30.543 31.823 0.208 0.000 0.657 779 V HN 0.637 nan 8.190 nan 0.000 0.453 780 A N 0.482 123.423 122.820 0.202 0.000 1.940 780 A HA -0.263 4.077 4.320 0.034 0.000 0.219 780 A C 1.873 179.546 177.584 0.148 0.000 1.176 780 A CA 2.357 54.480 52.037 0.143 0.000 0.631 780 A CB -0.867 18.191 19.000 0.096 0.000 0.814 780 A HN 0.718 nan 8.150 nan 0.000 0.446 781 N N -0.484 118.310 118.700 0.157 0.000 2.398 781 N HA 0.037 4.798 4.740 0.034 0.000 0.188 781 N C -0.563 175.037 175.510 0.150 0.000 1.122 781 N CA -0.004 53.125 53.050 0.130 0.000 0.866 781 N CB 0.159 38.708 38.487 0.103 0.000 0.970 781 N HN 0.108 nan 8.380 nan 0.000 0.462 782 K N 0.326 120.869 120.400 0.238 0.000 3.244 782 K HA -0.129 4.212 4.320 0.034 0.000 0.270 782 K C -1.188 175.474 176.600 0.103 0.000 1.016 782 K CA 0.312 56.718 56.287 0.198 0.000 0.754 782 K CB -1.973 30.572 32.500 0.075 0.000 1.326 782 K HN 0.039 nan 8.250 nan 0.000 0.465 783 V N 2.117 122.166 119.914 0.225 0.000 2.260 783 V HA 0.392 4.532 4.120 0.034 0.000 0.263 783 V C -0.300 175.930 176.094 0.227 0.000 1.036 783 V CA -0.610 61.786 62.300 0.160 0.000 0.874 783 V CB -0.554 31.348 31.823 0.132 0.000 1.116 783 V HN 0.386 nan 8.190 nan 0.000 0.454 784 Y N 1.898 122.231 120.300 0.054 0.000 2.725 784 Y HA 0.838 5.408 4.550 0.034 0.000 0.333 784 Y C -1.557 174.343 175.900 0.001 0.000 1.242 784 Y CA -1.837 56.222 58.100 -0.068 0.000 1.059 784 Y CB 1.767 40.103 38.460 -0.206 0.000 1.306 784 Y HN 0.211 nan 8.280 nan 0.000 0.454 785 L N 2.607 123.916 121.223 0.144 0.000 2.329 785 L HA 0.785 5.145 4.340 0.034 0.000 0.279 785 L C -1.805 175.179 176.870 0.190 0.000 1.014 785 L CA -0.852 54.064 54.840 0.128 0.000 0.814 785 L CB 1.621 43.794 42.059 0.190 0.000 1.257 785 L HN 0.761 nan 8.230 nan 0.000 0.424 786 L N 6.333 127.667 121.223 0.185 0.000 2.406 786 L HA 0.697 5.057 4.340 0.034 0.000 0.272 786 L C -0.730 176.205 176.870 0.109 0.000 0.980 786 L CA -0.190 54.778 54.840 0.214 0.000 0.831 786 L CB 1.219 43.477 42.059 0.332 0.000 1.253 786 L HN 0.948 nan 8.230 nan 0.000 0.406 787 C N 1.298 120.627 119.300 0.049 0.000 2.719 787 C HA 0.876 5.356 4.460 0.034 0.000 0.327 787 C C -0.204 174.569 174.990 -0.360 0.000 1.238 787 C CA -0.854 58.096 59.018 -0.112 0.000 1.727 787 C CB 1.539 29.229 27.740 -0.084 0.000 2.256 787 C HN 0.890 nan 8.230 nan 0.000 0.489 788 E N -0.075 119.865 120.200 -0.433 0.000 2.238 788 E HA 0.699 5.069 4.350 0.034 0.000 0.267 788 E C -1.636 174.636 176.600 -0.546 0.000 0.887 788 E CA -0.272 55.877 56.400 -0.418 0.000 0.769 788 E CB 1.762 31.388 29.700 -0.125 0.000 1.187 788 E HN 0.598 nan 8.360 nan 0.000 0.416 789 F N 1.056 121.039 119.950 0.055 0.000 2.520 789 F HA 0.496 5.043 4.527 0.033 0.000 0.322 789 F C 0.068 175.874 175.800 0.011 0.000 1.103 789 F CA -0.843 57.166 58.000 0.015 0.000 0.926 789 F CB 1.995 40.984 39.000 -0.020 0.000 1.154 789 F HN 0.264 nan 8.300 nan 0.000 0.453 790 S N 1.173 116.985 115.700 0.185 0.000 2.546 790 S HA 0.871 5.361 4.470 0.034 0.000 0.272 790 S C -1.647 173.011 174.600 0.096 0.000 1.140 790 S CA -0.745 57.518 58.200 0.104 0.000 0.920 790 S CB 1.600 64.833 63.200 0.055 0.000 1.083 790 S HN 0.404 nan 8.310 nan 0.000 0.476 791 V N 2.861 122.824 119.914 0.081 0.000 2.540 791 V HA 0.803 4.943 4.120 0.034 0.000 0.302 791 V C 0.381 176.509 176.094 0.056 0.000 1.035 791 V CA -0.151 62.209 62.300 0.100 0.000 0.873 791 V CB 1.784 33.708 31.823 0.169 0.000 0.992 791 V HN 1.239 nan 8.190 nan 0.000 0.428 792 T N 1.728 116.290 114.554 0.014 0.000 2.676 792 T HA 0.574 4.944 4.350 0.034 0.000 0.269 792 T C -0.531 174.161 174.700 -0.014 0.000 0.952 792 T CA -0.968 61.132 62.100 -0.001 0.000 1.040 792 T CB 0.978 69.825 68.868 -0.036 0.000 1.352 792 T HN 0.338 nan 8.240 nan 0.000 0.554 793 Q N 1.477 121.267 119.800 -0.016 0.000 2.263 793 Q HA 0.311 4.671 4.340 0.034 0.000 0.289 793 Q C 0.113 175.979 176.000 -0.224 0.000 1.061 793 Q CA 0.959 56.755 55.803 -0.012 0.000 0.927 793 Q CB -0.502 28.244 28.738 0.012 0.000 1.154 793 Q HN 0.818 nan 8.270 nan 0.000 0.378 794 N N 0.425 118.855 118.700 -0.450 0.000 2.909 794 N HA -0.239 4.521 4.740 0.034 0.000 0.242 794 N C -0.591 174.008 175.510 -1.519 0.000 0.975 794 N CA 1.213 53.565 53.050 -1.163 0.000 0.921 794 N CB -0.538 37.620 38.487 -0.549 0.000 1.112 794 N HN 0.556 nan 8.380 nan 0.000 0.581 795 R N 0.216 119.995 120.500 -1.201 0.000 2.535 795 R HA 0.551 4.911 4.340 0.034 0.000 0.274 795 R C -2.063 174.057 176.300 -0.300 0.000 1.090 795 R CA -0.782 54.891 56.100 -0.712 0.000 0.930 795 R CB 1.024 31.116 30.300 -0.347 0.000 1.223 795 R HN 0.091 nan 8.270 nan 0.000 0.441 796 L N 2.898 124.099 121.223 -0.036 0.000 2.322 796 L HA 0.555 4.916 4.340 0.034 0.000 0.281 796 L C -0.991 175.941 176.870 0.104 0.000 1.014 796 L CA 0.009 54.937 54.840 0.147 0.000 0.815 796 L CB 1.686 43.907 42.059 0.270 0.000 1.247 796 L HN 0.564 nan 8.230 nan 0.000 0.421 797 E N 4.559 124.823 120.200 0.106 0.000 2.171 797 E HA 0.439 4.809 4.350 0.034 0.000 0.271 797 E C -1.251 175.449 176.600 0.167 0.000 0.916 797 E CA -0.604 55.864 56.400 0.113 0.000 0.774 797 E CB 2.436 32.177 29.700 0.067 0.000 1.128 797 E HN 0.443 nan 8.360 nan 0.000 0.403 798 V N 4.884 124.917 119.914 0.198 0.000 2.357 798 V HA 0.309 4.449 4.120 0.034 0.000 0.284 798 V C 0.057 176.227 176.094 0.126 0.000 1.018 798 V CA -0.821 61.612 62.300 0.222 0.000 0.841 798 V CB 0.954 32.981 31.823 0.340 0.000 0.991 798 V HN 0.603 nan 8.190 nan 0.000 0.437 799 N N 4.956 123.677 118.700 0.036 0.000 2.405 799 N HA 0.573 5.334 4.740 0.034 0.000 0.285 799 N C -1.539 173.967 175.510 -0.006 0.000 1.262 799 N CA -0.752 52.311 53.050 0.022 0.000 0.773 799 N CB 2.799 41.295 38.487 0.014 0.000 1.490 799 N HN 0.296 nan 8.380 nan 0.000 0.486 800 I N 1.163 121.740 120.570 0.012 0.000 2.406 800 I HA 0.200 4.390 4.170 0.034 0.000 0.290 800 I C 1.250 177.377 176.117 0.016 0.000 0.999 800 I CA -0.608 60.702 61.300 0.017 0.000 1.124 800 I CB 1.277 39.294 38.000 0.028 0.000 1.289 800 I HN 0.876 nan 8.210 nan 0.000 0.441 801 S N 4.351 120.067 115.700 0.027 0.000 2.514 801 S HA 0.149 4.639 4.470 0.034 0.000 0.223 801 S C 0.529 175.142 174.600 0.022 0.000 1.046 801 S CA 0.011 58.233 58.200 0.036 0.000 0.914 801 S CB 0.440 63.679 63.200 0.064 0.000 0.807 801 S HN 0.630 nan 8.310 nan 0.000 0.497 802 Q N 0.770 120.572 119.800 0.004 0.000 2.331 802 Q HA 0.668 5.028 4.340 0.034 0.000 0.272 802 Q C -1.297 174.647 176.000 -0.094 0.000 1.062 802 Q CA -0.263 55.479 55.803 -0.101 0.000 0.806 802 Q CB 2.223 30.797 28.738 -0.273 0.000 1.312 802 Q HN 0.113 nan 8.270 nan 0.000 0.431 803 S N 2.350 117.991 115.700 -0.098 0.000 2.512 803 S HA 0.268 4.759 4.470 0.034 0.000 0.161 803 S C -0.601 173.973 174.600 -0.042 0.000 1.383 803 S CA 0.220 58.394 58.200 -0.043 0.000 1.248 803 S CB -0.192 62.998 63.200 -0.016 0.000 1.488 803 S HN 0.721 nan 8.310 nan 0.000 0.382 804 T N -0.690 113.831 114.554 -0.054 0.000 3.228 804 T HA 0.354 4.724 4.350 0.034 0.000 0.278 804 T C -0.500 174.260 174.700 0.101 0.000 1.014 804 T CA -0.328 61.766 62.100 -0.009 0.000 0.904 804 T CB -0.184 68.656 68.868 -0.046 0.000 1.110 804 T HN 0.463 nan 8.240 nan 0.000 0.541 805 Y N 1.130 121.416 120.300 -0.023 0.000 2.401 805 Y HA 0.602 5.172 4.550 0.033 0.000 0.330 805 Y C -1.300 174.623 175.900 0.038 0.000 1.071 805 Y CA -1.585 56.522 58.100 0.012 0.000 1.049 805 Y CB 1.745 40.215 38.460 0.017 0.000 1.239 805 Y HN 0.078 nan 8.280 nan 0.000 0.437 806 K N 5.195 125.209 120.400 -0.642 0.000 2.413 806 K HA 0.245 4.585 4.320 0.034 0.000 0.257 806 K C -1.290 174.866 176.600 -0.741 0.000 0.946 806 K CA -0.699 55.300 56.287 -0.480 0.000 0.823 806 K CB 0.947 33.306 32.500 -0.233 0.000 1.109 806 K HN 0.714 nan 8.250 nan 0.000 0.427 807 D N 5.668 125.810 120.400 -0.430 0.000 2.401 807 D HA 0.025 4.685 4.640 0.034 0.000 0.254 807 D C -1.321 174.905 176.300 -0.123 0.000 1.192 807 D CA -1.471 52.431 54.000 -0.164 0.000 0.885 807 D CB 1.420 42.354 40.800 0.224 0.000 1.147 807 D HN 0.423 nan 8.370 nan 0.000 0.478 808 P HA -0.055 nan 4.420 nan 0.000 0.239 808 P C 0.097 177.378 177.300 -0.030 0.000 1.184 808 P CA 0.509 63.575 63.100 -0.058 0.000 0.760 808 P CB 0.147 31.827 31.700 -0.033 0.000 0.884 809 N N 0.390 119.083 118.700 -0.011 0.000 2.434 809 N HA -0.025 4.735 4.740 0.034 0.000 0.196 809 N C 0.081 175.564 175.510 -0.045 0.000 1.183 809 N CA -0.130 52.911 53.050 -0.015 0.000 0.849 809 N CB -0.752 37.741 38.487 0.009 0.000 0.992 809 N HN -0.031 nan 8.380 nan 0.000 0.460 810 N N 0.875 119.539 118.700 -0.060 0.000 2.696 810 N HA -0.177 4.583 4.740 0.034 0.000 0.256 810 N C -1.130 174.317 175.510 -0.106 0.000 1.031 810 N CA 0.322 53.329 53.050 -0.072 0.000 0.730 810 N CB -1.000 37.457 38.487 -0.050 0.000 0.894 810 N HN 0.257 nan 8.380 nan 0.000 0.544 811 L N -0.047 121.080 121.223 -0.160 0.000 2.417 811 L HA 0.664 5.025 4.340 0.034 0.000 0.268 811 L C 0.930 177.633 176.870 -0.278 0.000 1.158 811 L CA -0.000 54.689 54.840 -0.251 0.000 0.819 811 L CB 1.126 42.943 42.059 -0.403 0.000 1.112 811 L HN 0.435 nan 8.230 nan 0.000 0.458 812 A N 2.065 124.700 122.820 -0.309 0.000 2.574 812 A HA 0.677 5.017 4.320 0.034 0.000 0.297 812 A C -1.218 176.164 177.584 -0.336 0.000 1.062 812 A CA -0.597 51.272 52.037 -0.279 0.000 0.686 812 A CB 0.891 19.811 19.000 -0.135 0.000 1.285 812 A HN 0.418 nan 8.150 nan 0.000 0.403 813 F N 2.452 122.335 119.950 -0.112 0.000 2.472 813 F HA 0.231 4.779 4.527 0.034 0.000 0.364 813 F C 1.551 177.278 175.800 -0.121 0.000 1.090 813 F CA 0.129 58.061 58.000 -0.112 0.000 1.188 813 F CB 0.807 39.735 39.000 -0.119 0.000 1.105 813 F HN 0.691 nan 8.300 nan 0.000 0.536 814 N N 1.360 120.094 118.700 0.056 0.000 2.171 814 N HA 0.065 4.825 4.740 0.034 0.000 0.212 814 N C -0.437 175.072 175.510 -0.002 0.000 1.184 814 N CA -0.029 53.022 53.050 0.001 0.000 0.888 814 N CB 0.551 39.026 38.487 -0.021 0.000 1.038 814 N HN 0.738 nan 8.380 nan 0.000 0.517 815 E N 0.282 120.492 120.200 0.017 0.000 2.335 815 E HA 0.465 4.836 4.350 0.034 0.000 0.280 815 E C -1.698 174.883 176.600 -0.032 0.000 0.918 815 E CA -0.594 55.797 56.400 -0.015 0.000 0.765 815 E CB 1.841 31.535 29.700 -0.011 0.000 1.218 815 E HN 0.102 nan 8.360 nan 0.000 0.425 816 I N 3.687 124.211 120.570 -0.077 0.000 2.478 816 I HA 0.338 4.528 4.170 0.034 0.000 0.287 816 I C -0.680 175.360 176.117 -0.127 0.000 1.042 816 I CA -0.743 60.486 61.300 -0.118 0.000 1.067 816 I CB 1.985 39.893 38.000 -0.153 0.000 1.233 816 I HN 0.300 nan 8.210 nan 0.000 0.431 817 K N 7.562 127.889 120.400 -0.121 0.000 2.235 817 K HA 0.674 5.014 4.320 0.034 0.000 0.266 817 K C -1.310 175.197 176.600 -0.155 0.000 0.980 817 K CA -0.448 55.758 56.287 -0.134 0.000 0.849 817 K CB 1.289 33.712 32.500 -0.128 0.000 1.098 817 K HN 0.564 nan 8.250 nan 0.000 0.445 818 I N 6.279 126.744 120.570 -0.176 0.000 2.378 818 I HA 0.283 4.473 4.170 0.034 0.000 0.291 818 I C -0.587 175.411 176.117 -0.198 0.000 0.992 818 I CA -0.945 60.243 61.300 -0.188 0.000 1.154 818 I CB 1.395 39.250 38.000 -0.241 0.000 1.315 818 I HN 0.434 nan 8.210 nan 0.000 0.448 819 L N 5.276 126.321 121.223 -0.297 0.000 2.317 819 L HA 0.620 4.980 4.340 0.034 0.000 0.281 819 L C 0.955 177.570 176.870 -0.426 0.000 1.024 819 L CA -0.605 53.933 54.840 -0.503 0.000 0.810 819 L CB 1.530 42.984 42.059 -1.008 0.000 1.240 819 L HN 0.928 nan 8.230 nan 0.000 0.427 820 G N 1.081 109.790 108.800 -0.152 0.000 2.182 820 G HA2 -0.235 3.745 3.960 0.034 0.000 0.248 820 G HA3 -0.235 3.745 3.960 0.034 0.000 0.248 820 G C 0.041 175.004 174.900 0.104 0.000 1.042 820 G CA 0.372 45.563 45.100 0.153 0.000 0.775 820 G HN 0.673 nan 8.290 nan 0.000 0.501 821 T N -0.255 114.352 114.554 0.088 0.000 2.885 821 T HA 0.559 4.929 4.350 0.034 0.000 0.285 821 T C 0.293 175.091 174.700 0.163 0.000 1.019 821 T CA -0.560 61.603 62.100 0.105 0.000 1.010 821 T CB 1.189 70.092 68.868 0.059 0.000 1.022 821 T HN 0.186 nan 8.240 nan 0.000 0.466 822 E N 2.026 122.256 120.200 0.050 0.000 2.392 822 E HA 0.109 4.480 4.350 0.034 0.000 0.256 822 E C 0.133 176.631 176.600 -0.172 0.000 1.145 822 E CA -0.284 56.120 56.400 0.006 0.000 0.929 822 E CB 0.461 30.085 29.700 -0.127 0.000 0.998 822 E HN 0.719 nan 8.360 nan 0.000 0.442 823 E N 2.556 122.402 120.200 -0.591 0.000 2.498 823 E HA 0.004 4.375 4.350 0.034 0.000 0.252 823 E C -2.075 174.290 176.600 -0.391 0.000 1.025 823 E CA -1.210 54.531 56.400 -1.098 0.000 0.938 823 E CB 0.342 29.490 29.700 -0.919 0.000 0.947 823 E HN 0.019 nan 8.360 nan 0.000 0.478 824 P HA 0.088 nan 4.420 nan 0.000 0.285 824 P C -1.271 175.886 177.300 -0.239 0.000 1.259 824 P CA -0.428 62.431 63.100 -0.403 0.000 0.794 824 P CB 1.569 32.812 31.700 -0.761 0.000 0.940 825 S N 0.966 116.593 115.700 -0.121 0.000 2.667 825 S HA 0.495 4.985 4.470 0.034 0.000 0.292 825 S C -0.219 174.380 174.600 -0.002 0.000 1.126 825 S CA -0.747 57.416 58.200 -0.061 0.000 0.881 825 S CB 0.548 63.717 63.200 -0.052 0.000 1.132 825 S HN 0.393 nan 8.310 nan 0.000 0.492 826 N N -0.422 118.278 118.700 -0.000 0.000 2.725 826 N HA -0.115 4.646 4.740 0.034 0.000 0.251 826 N C -0.463 175.076 175.510 0.047 0.000 1.031 826 N CA 0.627 53.687 53.050 0.017 0.000 0.720 826 N CB -1.940 36.554 38.487 0.012 0.000 0.930 826 N HN 0.618 nan 8.380 nan 0.000 0.543 827 V N 0.370 120.315 119.914 0.051 0.000 2.599 827 V HA 0.157 4.298 4.120 0.034 0.000 0.300 827 V C 1.125 177.262 176.094 0.072 0.000 1.034 827 V CA 0.500 62.857 62.300 0.095 0.000 1.115 827 V CB 1.267 33.118 31.823 0.046 0.000 0.934 827 V HN 0.331 nan 8.190 nan 0.000 0.485 828 T N 4.208 118.818 114.554 0.094 0.000 2.893 828 T HA 0.590 4.960 4.350 0.034 0.000 0.293 828 T C -0.740 174.012 174.700 0.085 0.000 1.027 828 T CA -0.415 61.726 62.100 0.069 0.000 0.988 828 T CB 1.900 70.797 68.868 0.049 0.000 1.043 828 T HN 0.351 nan 8.240 nan 0.000 0.461 829 V N 3.602 123.565 119.914 0.082 0.000 2.444 829 V HA 0.515 4.656 4.120 0.034 0.000 0.294 829 V C -0.352 175.834 176.094 0.155 0.000 1.022 829 V CA -0.875 61.492 62.300 0.111 0.000 0.850 829 V CB 1.699 33.564 31.823 0.070 0.000 0.992 829 V HN 0.715 nan 8.190 nan 0.000 0.426 830 K N 2.899 123.418 120.400 0.198 0.000 2.270 830 K HA 0.519 4.859 4.320 0.034 0.000 0.255 830 K C -0.843 175.941 176.600 0.306 0.000 0.936 830 K CA -0.711 55.696 56.287 0.200 0.000 0.809 830 K CB 2.251 34.819 32.500 0.114 0.000 1.131 830 K HN 0.834 nan 8.250 nan 0.000 0.427 831 H N 3.758 122.887 119.070 0.098 0.000 2.595 831 H HA 0.143 4.719 4.556 0.034 0.000 0.313 831 H C -0.513 174.749 175.328 -0.111 0.000 1.023 831 H CA -0.407 55.584 56.048 -0.094 0.000 1.218 831 H CB 0.458 30.183 29.762 -0.061 0.000 1.403 831 H HN 0.664 nan 8.280 nan 0.000 0.477 832 N N 4.131 122.774 118.700 -0.095 0.000 2.686 832 N HA -0.223 4.538 4.740 0.034 0.000 0.261 832 N C 1.106 176.566 175.510 -0.084 0.000 1.001 832 N CA 1.309 54.277 53.050 -0.137 0.000 0.764 832 N CB -0.961 37.366 38.487 -0.267 0.000 0.898 832 N HN 1.140 nan 8.380 nan 0.000 0.544 833 G N -2.293 106.495 108.800 -0.020 0.000 2.347 833 G HA2 -0.378 3.602 3.960 0.034 0.000 0.247 833 G HA3 -0.378 3.602 3.960 0.034 0.000 0.247 833 G C 0.153 175.056 174.900 0.006 0.000 1.037 833 G CA 0.395 45.490 45.100 -0.007 0.000 0.622 833 G HN 0.477 nan 8.290 nan 0.000 0.521 834 V N 4.120 124.034 119.914 -0.001 0.000 2.455 834 V HA 0.428 4.569 4.120 0.034 0.000 0.273 834 V C -1.330 174.802 176.094 0.064 0.000 1.045 834 V CA -1.300 61.010 62.300 0.016 0.000 0.976 834 V CB 1.162 32.980 31.823 -0.008 0.000 0.993 834 V HN 0.297 nan 8.190 nan 0.000 0.475 835 P HA 0.126 nan 4.420 nan 0.000 0.265 835 P C -0.372 176.980 177.300 0.087 0.000 1.193 835 P CA 0.321 63.464 63.100 0.072 0.000 0.765 835 P CB 0.852 32.579 31.700 0.046 0.000 0.823 836 S N 1.560 117.326 115.700 0.111 0.000 2.588 836 S HA 0.457 4.947 4.470 0.034 0.000 0.275 836 S C -1.093 173.562 174.600 0.091 0.000 1.130 836 S CA -0.789 57.486 58.200 0.124 0.000 0.855 836 S CB 1.294 64.622 63.200 0.212 0.000 1.116 836 S HN 0.478 nan 8.310 nan 0.000 0.472 837 Q N 0.479 120.323 119.800 0.073 0.000 2.382 837 Q HA -0.152 4.208 4.340 0.034 0.000 0.345 837 Q C 0.365 176.382 176.000 0.029 0.000 1.281 837 Q CA 1.002 56.831 55.803 0.043 0.000 1.011 837 Q CB -2.562 26.194 28.738 0.030 0.000 1.113 837 Q HN 1.755 nan 8.270 nan 0.000 0.299 838 T N 0.858 115.428 114.554 0.025 0.000 3.882 838 T HA -0.374 3.996 4.350 0.034 0.000 0.302 838 T C 0.170 174.881 174.700 0.019 0.000 1.337 838 T CA 2.406 64.517 62.100 0.018 0.000 0.911 838 T CB -0.892 67.982 68.868 0.010 0.000 0.866 838 T HN 2.169 nan 8.240 nan 0.000 0.397 839 S N 2.299 118.006 115.700 0.011 0.000 2.532 839 S HA 0.748 5.238 4.470 0.034 0.000 0.299 839 S C -2.838 171.762 174.600 0.000 0.000 1.105 839 S CA -0.973 57.234 58.200 0.011 0.000 1.018 839 S CB 2.381 65.587 63.200 0.010 0.000 1.021 839 S HN 0.866 nan 8.310 nan 0.000 0.483 840 P HA 0.261 nan 4.420 nan 0.000 0.274 840 P C -0.427 176.860 177.300 -0.022 0.000 1.260 840 P CA -0.234 62.855 63.100 -0.018 0.000 0.793 840 P CB 0.151 31.834 31.700 -0.028 0.000 1.048 841 T N 0.208 114.746 114.554 -0.027 0.000 2.856 841 T HA 0.342 4.712 4.350 0.034 0.000 0.292 841 T C -0.129 174.548 174.700 -0.039 0.000 0.980 841 T CA -0.191 61.893 62.100 -0.027 0.000 1.091 841 T CB 0.315 69.168 68.868 -0.024 0.000 0.936 841 T HN 0.093 nan 8.240 nan 0.000 0.503 842 V N 3.934 123.826 119.914 -0.037 0.000 2.483 842 V HA 0.421 4.562 4.120 0.034 0.000 0.297 842 V C 0.121 176.206 176.094 -0.016 0.000 1.027 842 V CA -0.835 61.438 62.300 -0.046 0.000 0.855 842 V CB 2.049 33.828 31.823 -0.073 0.000 0.995 842 V HN 0.960 nan 8.190 nan 0.000 0.424 843 T N 4.785 119.335 114.554 -0.008 0.000 2.794 843 T HA 0.585 4.955 4.350 0.034 0.000 0.280 843 T C -1.221 173.526 174.700 0.079 0.000 0.987 843 T CA -0.293 61.817 62.100 0.017 0.000 0.993 843 T CB 1.099 69.958 68.868 -0.015 0.000 0.939 843 T HN 0.525 nan 8.240 nan 0.000 0.449 844 Y N 2.267 122.527 120.300 -0.066 0.000 2.391 844 Y HA 0.429 4.999 4.550 0.034 0.000 0.341 844 Y C -1.054 174.815 175.900 -0.052 0.000 0.965 844 Y CA -1.574 56.487 58.100 -0.066 0.000 1.067 844 Y CB 1.538 39.964 38.460 -0.058 0.000 1.199 844 Y HN 0.518 nan 8.280 nan 0.000 0.450 845 D N 3.104 123.072 120.400 -0.721 0.000 2.454 845 D HA 0.147 4.807 4.640 0.034 0.000 0.225 845 D C 0.547 176.283 176.300 -0.940 0.000 1.081 845 D CA 0.097 53.737 54.000 -0.599 0.000 0.864 845 D CB 1.303 41.891 40.800 -0.353 0.000 1.040 845 D HN 0.657 nan 8.370 nan 0.000 0.517 846 S N 2.774 118.082 115.700 -0.654 0.000 2.453 846 S HA -0.138 4.352 4.470 0.034 0.000 0.231 846 S C 1.543 176.027 174.600 -0.194 0.000 1.005 846 S CA 0.349 58.319 58.200 -0.384 0.000 0.949 846 S CB -0.155 63.043 63.200 -0.003 0.000 0.774 846 S HN 0.614 nan 8.310 nan 0.000 0.510 847 N N 0.640 119.232 118.700 -0.180 0.000 2.216 847 N HA -0.041 4.719 4.740 0.034 0.000 0.183 847 N C 1.084 176.528 175.510 -0.110 0.000 1.017 847 N CA 1.044 54.027 53.050 -0.112 0.000 0.861 847 N CB -0.065 38.365 38.487 -0.096 0.000 0.986 847 N HN 0.301 nan 8.380 nan 0.000 0.428 848 L N 1.205 122.334 121.223 -0.157 0.000 2.554 848 L HA 0.203 4.563 4.340 0.034 0.000 0.225 848 L C 0.250 177.063 176.870 -0.094 0.000 1.104 848 L CA 0.552 55.324 54.840 -0.113 0.000 0.866 848 L CB -0.109 41.874 42.059 -0.126 0.000 1.047 848 L HN 0.026 nan 8.230 nan 0.000 0.468 849 K N -0.199 120.106 120.400 -0.158 0.000 3.150 849 K HA -0.130 4.211 4.320 0.034 0.000 0.267 849 K C -0.637 175.942 176.600 -0.036 0.000 1.028 849 K CA 0.245 56.502 56.287 -0.049 0.000 0.753 849 K CB -2.540 30.008 32.500 0.081 0.000 1.288 849 K HN 0.075 nan 8.250 nan 0.000 0.473 850 V N 0.253 120.050 119.914 -0.196 0.000 2.448 850 V HA 0.677 4.817 4.120 0.034 0.000 0.295 850 V C 0.333 176.402 176.094 -0.043 0.000 1.025 850 V CA -0.656 61.571 62.300 -0.122 0.000 0.859 850 V CB 1.948 33.676 31.823 -0.159 0.000 0.988 850 V HN 0.431 nan 8.190 nan 0.000 0.431 851 A N 6.242 129.093 122.820 0.053 0.000 2.317 851 A HA 0.914 5.254 4.320 0.034 0.000 0.327 851 A C -0.759 176.785 177.584 -0.067 0.000 1.178 851 A CA -0.523 51.557 52.037 0.072 0.000 0.817 851 A CB 0.746 19.738 19.000 -0.014 0.000 1.189 851 A HN 0.773 nan 8.150 nan 0.000 0.489 852 I N 2.916 123.449 120.570 -0.061 0.000 2.436 852 I HA 0.344 4.534 4.170 0.034 0.000 0.289 852 I C -0.753 175.311 176.117 -0.088 0.000 1.010 852 I CA -0.264 60.983 61.300 -0.088 0.000 1.098 852 I CB 1.749 39.704 38.000 -0.076 0.000 1.266 852 I HN 0.498 nan 8.210 nan 0.000 0.434 853 I N 6.057 126.562 120.570 -0.109 0.000 2.321 853 I HA 0.401 4.592 4.170 0.034 0.000 0.291 853 I C 0.372 176.446 176.117 -0.072 0.000 0.998 853 I CA -0.110 61.131 61.300 -0.100 0.000 1.227 853 I CB 1.485 39.407 38.000 -0.130 0.000 1.368 853 I HN 0.638 nan 8.210 nan 0.000 0.466 854 T N -0.009 114.512 114.554 -0.055 0.000 2.742 854 T HA 0.395 4.766 4.350 0.034 0.000 0.282 854 T C -0.111 174.566 174.700 -0.037 0.000 1.025 854 T CA -0.647 61.428 62.100 -0.042 0.000 1.020 854 T CB 1.574 70.421 68.868 -0.035 0.000 1.317 854 T HN 0.598 nan 8.240 nan 0.000 0.538 855 D N -0.590 119.792 120.400 -0.031 0.000 2.699 855 D HA -0.161 4.500 4.640 0.034 0.000 0.239 855 D C -0.695 175.585 176.300 -0.033 0.000 1.136 855 D CA 0.680 54.664 54.000 -0.027 0.000 0.668 855 D CB -1.344 39.443 40.800 -0.022 0.000 1.060 855 D HN 0.762 nan 8.370 nan 0.000 0.429 856 I N 0.054 120.599 120.570 -0.042 0.000 2.828 856 I HA 0.492 4.682 4.170 0.034 0.000 0.302 856 I C -1.048 175.027 176.117 -0.070 0.000 1.101 856 I CA -0.891 60.372 61.300 -0.061 0.000 1.031 856 I CB 1.923 39.880 38.000 -0.071 0.000 1.231 856 I HN -0.022 nan 8.210 nan 0.000 0.427 857 D N 6.471 126.805 120.400 -0.109 0.000 2.381 857 D HA 0.316 4.976 4.640 0.034 0.000 0.245 857 D C -1.608 174.565 176.300 -0.213 0.000 1.297 857 D CA -0.225 53.710 54.000 -0.108 0.000 0.931 857 D CB 0.706 41.467 40.800 -0.066 0.000 1.334 857 D HN 0.279 nan 8.370 nan 0.000 0.535 858 L N 3.661 124.736 121.223 -0.247 0.000 2.264 858 L HA 0.434 4.794 4.340 0.034 0.000 0.287 858 L C 0.186 177.030 176.870 -0.043 0.000 1.039 858 L CA -0.880 53.638 54.840 -0.535 0.000 0.829 858 L CB 0.985 42.743 42.059 -0.502 0.000 1.211 858 L HN 0.250 nan 8.230 nan 0.000 0.427 859 L N 3.835 125.119 121.223 0.102 0.000 2.455 859 L HA 0.064 4.425 4.340 0.034 0.000 0.272 859 L C 0.290 177.253 176.870 0.156 0.000 1.174 859 L CA -0.421 54.477 54.840 0.097 0.000 0.869 859 L CB 0.570 42.684 42.059 0.092 0.000 1.130 859 L HN 0.431 nan 8.230 nan 0.000 0.474 860 L N 3.931 125.133 121.223 -0.035 0.000 2.513 860 L HA 0.260 4.620 4.340 0.034 0.000 0.272 860 L C 1.016 177.910 176.870 0.040 0.000 1.187 860 L CA 1.526 56.339 54.840 -0.046 0.000 0.895 860 L CB 0.391 42.261 42.059 -0.315 0.000 1.147 860 L HN 0.832 nan 8.230 nan 0.000 0.483 861 G N 2.471 111.345 108.800 0.123 0.000 2.176 861 G HA2 -0.175 3.805 3.960 0.034 0.000 0.232 861 G HA3 -0.175 3.805 3.960 0.034 0.000 0.232 861 G C 0.159 175.114 174.900 0.091 0.000 0.986 861 G CA 0.006 45.160 45.100 0.090 0.000 0.643 861 G HN 0.565 nan 8.290 nan 0.000 0.522 862 E N 0.228 120.508 120.200 0.133 0.000 2.207 862 E HA 0.688 5.058 4.350 0.034 0.000 0.270 862 E C 0.353 176.950 176.600 -0.005 0.000 0.927 862 E CA 0.046 56.466 56.400 0.033 0.000 0.799 862 E CB 1.739 31.369 29.700 -0.116 0.000 1.172 862 E HN 0.728 nan 8.360 nan 0.000 0.404 863 A N 3.025 125.794 122.820 -0.085 0.000 2.366 863 A HA 0.512 4.853 4.320 0.034 0.000 0.272 863 A C -1.083 176.365 177.584 -0.227 0.000 1.135 863 A CA 0.037 52.046 52.037 -0.046 0.000 0.804 863 A CB 0.018 19.009 19.000 -0.015 0.000 1.064 863 A HN 0.523 nan 8.150 nan 0.000 0.499 864 Y N -0.226 120.151 120.300 0.129 0.000 2.588 864 Y HA 0.563 5.133 4.550 0.034 0.000 0.343 864 Y C 0.324 176.276 175.900 0.088 0.000 1.065 864 Y CA -0.534 57.635 58.100 0.115 0.000 1.038 864 Y CB 2.591 41.099 38.460 0.079 0.000 1.297 864 Y HN 0.556 nan 8.280 nan 0.000 0.467 865 T N 2.123 116.831 114.554 0.257 0.000 2.824 865 T HA 0.621 4.992 4.350 0.034 0.000 0.282 865 T C -1.215 173.576 174.700 0.150 0.000 0.993 865 T CA -0.661 61.530 62.100 0.152 0.000 0.967 865 T CB 1.199 70.116 68.868 0.082 0.000 0.960 865 T HN 0.310 nan 8.240 nan 0.000 0.441 866 V N 3.603 123.597 119.914 0.133 0.000 2.487 866 V HA 0.532 4.672 4.120 0.034 0.000 0.298 866 V C -0.241 175.934 176.094 0.135 0.000 1.028 866 V CA -0.777 61.624 62.300 0.169 0.000 0.860 866 V CB 1.764 33.715 31.823 0.213 0.000 0.991 866 V HN 0.864 nan 8.190 nan 0.000 0.427 867 E N 3.611 123.876 120.200 0.109 0.000 2.317 867 E HA 0.705 5.075 4.350 0.034 0.000 0.270 867 E C -1.556 175.103 176.600 0.097 0.000 0.885 867 E CA -0.715 55.617 56.400 -0.113 0.000 0.760 867 E CB 2.837 32.461 29.700 -0.126 0.000 1.227 867 E HN 0.712 nan 8.360 nan 0.000 0.434 868 W N 0.610 121.849 121.300 -0.101 0.000 3.074 868 W HA 0.811 5.491 4.660 0.034 0.000 0.332 868 W C -1.526 174.860 176.519 -0.220 0.000 1.253 868 W CA -0.967 56.279 57.345 -0.164 0.000 1.180 868 W CB 0.411 29.742 29.460 -0.215 0.000 1.445 868 W HN 0.553 nan 8.180 nan 0.000 0.573 869 A N 0.971 123.789 122.820 -0.003 0.000 2.313 869 A HA 0.836 5.176 4.320 0.034 0.000 0.323 869 A C -0.901 176.566 177.584 -0.195 0.000 1.133 869 A CA -0.630 51.349 52.037 -0.097 0.000 0.847 869 A CB 0.962 19.942 19.000 -0.034 0.000 1.308 869 A HN 0.795 nan 8.150 nan 0.000 0.475 870 H N 0.000 119.121 119.070 0.086 0.000 2.539 870 H HA 0.000 4.576 4.556 0.034 0.000 0.296 870 H CA 0.000 56.077 56.048 0.049 0.000 1.023 870 H CB 0.000 29.796 29.762 0.056 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496