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 3aee_1_A DATA FIRST_RESID 10 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEEDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPASVV DATA SEQUENCE ELENYGMPFS RTEDGKIYQR AFGGQSLKFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GSIHRIRARN DATA SEQUENCE TVVATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTLEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPEQLAVRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV LRHVNGQDQV VPGLYACGEA ACASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALSI AESCRPGDKV PSIKPNAGEE SVMNLDKLRF DATA SEQUENCE ANGTIRTSEL RLSMQKSMQS HAAVFRVGSV LQEGCEKILR LYGDLQHLKT DATA SEQUENCE FDRGMVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDFKERV DATA SEQUENCE DEYDYSKPIQ GQQKKPFQEH WRKHTLSYVD VKTGKVSLEY RPVIDKTLNE DATA SEQUENCE ADCATVPPAI RSY 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.648 174.600 0.080 0.000 1.055 10 S CA 0.000 58.268 58.200 0.114 0.000 1.107 10 S CB 0.000 63.241 63.200 0.068 0.000 0.593 11 T N 2.220 116.806 114.554 0.054 0.000 2.951 11 T HA -0.025 -2.701 4.350 -11.709 0.000 0.268 11 T C 1.705 176.403 174.700 -0.003 0.000 1.073 11 T CA 1.700 63.813 62.100 0.021 0.000 1.134 11 T CB -0.149 68.724 68.868 0.009 0.000 0.884 11 T HN 0.289 nan 8.240 nan 0.000 0.479 12 Q N 0.254 120.049 119.800 -0.008 0.000 2.096 12 Q HA 0.050 -2.635 4.340 -11.709 0.000 0.197 12 Q C -0.438 175.387 176.000 -0.292 0.000 0.964 12 Q CA 1.093 56.796 55.803 -0.167 0.000 0.838 12 Q CB -0.009 28.603 28.738 -0.210 0.000 0.906 12 Q HN 0.576 nan 8.270 nan 0.000 0.444 13 Y N 0.534 120.850 120.300 0.027 0.000 2.352 13 Y HA 0.461 -2.014 4.550 -11.709 0.000 0.339 13 Y C -2.018 173.879 175.900 -0.004 0.000 0.992 13 Y CA -3.015 55.093 58.100 0.013 0.000 1.100 13 Y CB 1.247 39.713 38.460 0.010 0.000 1.192 13 Y HN 0.079 nan 8.280 nan 0.000 0.458 14 P HA 0.164 nan 4.420 nan 0.000 0.282 14 P C -1.090 176.212 177.300 0.004 0.000 1.262 14 P CA -0.437 62.689 63.100 0.045 0.000 0.773 14 P CB 0.659 32.371 31.700 0.021 0.000 0.879 15 V N 2.259 122.161 119.914 -0.019 0.000 2.383 15 V HA 0.454 -2.452 4.120 -11.709 0.000 0.275 15 V C -0.060 175.962 176.094 -0.121 0.000 1.036 15 V CA -0.663 61.598 62.300 -0.064 0.000 0.889 15 V CB 1.423 33.228 31.823 -0.030 0.000 0.985 15 V HN 0.193 nan 8.190 nan 0.000 0.459 16 V N 4.302 124.081 119.914 -0.224 0.000 2.349 16 V HA 0.379 -2.527 4.120 -11.709 0.000 0.284 16 V C -0.372 175.525 176.094 -0.329 0.000 1.014 16 V CA -0.285 61.856 62.300 -0.266 0.000 0.826 16 V CB 1.263 32.894 31.823 -0.319 0.000 1.009 16 V HN 0.995 nan 8.190 nan 0.000 0.431 17 D N 3.114 123.344 120.400 -0.283 0.000 2.283 17 D HA 0.502 -1.884 4.640 -11.709 0.000 0.248 17 D C -0.346 175.700 176.300 -0.423 0.000 1.072 17 D CA -0.030 53.824 54.000 -0.243 0.000 0.929 17 D CB 0.628 41.372 40.800 -0.093 0.000 1.182 17 D HN 0.545 nan 8.370 nan 0.000 0.433 18 H N 0.735 119.893 119.070 0.146 0.000 2.851 18 H HA 0.375 -2.095 4.556 -11.710 0.000 0.372 18 H C -0.951 174.458 175.328 0.134 0.000 1.158 18 H CA -0.597 55.569 56.048 0.197 0.000 1.159 18 H CB 1.789 31.800 29.762 0.414 0.000 1.757 18 H HN 0.417 nan 8.280 nan 0.000 0.546 19 E N 2.454 122.691 120.200 0.062 0.000 2.185 19 E HA 0.442 -2.234 4.350 -11.709 0.000 0.261 19 E C -1.385 175.037 176.600 -0.297 0.000 0.879 19 E CA -0.331 56.050 56.400 -0.032 0.000 0.756 19 E CB 1.052 30.712 29.700 -0.067 0.000 1.152 19 E HN 0.268 nan 8.360 nan 0.000 0.416 20 F N 1.229 121.217 119.950 0.063 0.000 2.706 20 F HA 0.290 -2.208 4.527 -11.709 0.000 0.328 20 F C 0.928 176.763 175.800 0.058 0.000 1.123 20 F CA -0.740 57.295 58.000 0.058 0.000 0.978 20 F CB 1.315 40.342 39.000 0.046 0.000 1.404 20 F HN 0.364 nan 8.300 nan 0.000 0.497 21 D N 0.274 120.863 120.400 0.316 0.000 2.240 21 D HA 0.308 -2.078 4.640 -11.709 0.000 0.206 21 D C -0.066 176.372 176.300 0.229 0.000 0.963 21 D CA 0.991 55.148 54.000 0.262 0.000 0.863 21 D CB 0.385 41.391 40.800 0.343 0.000 0.973 21 D HN 0.425 nan 8.370 nan 0.000 0.501 22 A N -0.055 122.875 122.820 0.185 0.000 2.547 22 A HA 0.559 -2.147 4.320 -11.709 0.000 0.297 22 A C -1.258 176.291 177.584 -0.058 0.000 1.056 22 A CA -0.626 51.436 52.037 0.042 0.000 0.688 22 A CB 1.556 20.530 19.000 -0.042 0.000 1.282 22 A HN -0.126 nan 8.150 nan 0.000 0.400 23 V N 1.414 121.268 119.914 -0.100 0.000 2.459 23 V HA 0.607 -2.298 4.120 -11.709 0.000 0.295 23 V C -0.286 175.711 176.094 -0.162 0.000 1.029 23 V CA -0.711 61.472 62.300 -0.195 0.000 0.874 23 V CB 1.453 33.161 31.823 -0.193 0.000 0.985 23 V HN 0.669 nan 8.190 nan 0.000 0.438 24 V N 5.000 124.798 119.914 -0.194 0.000 2.384 24 V HA 0.350 -2.556 4.120 -11.709 0.000 0.287 24 V C -0.028 175.979 176.094 -0.145 0.000 1.020 24 V CA -0.592 61.618 62.300 -0.149 0.000 0.850 24 V CB 1.852 33.588 31.823 -0.145 0.000 0.987 24 V HN 0.651 nan 8.190 nan 0.000 0.436 25 V N 4.769 124.616 119.914 -0.112 0.000 2.304 25 V HA 0.809 -2.097 4.120 -11.709 0.000 0.262 25 V C 0.678 176.729 176.094 -0.072 0.000 1.061 25 V CA 0.491 62.726 62.300 -0.108 0.000 0.872 25 V CB 0.342 32.094 31.823 -0.118 0.000 1.077 25 V HN 1.226 nan 8.190 nan 0.000 0.480 26 G N 3.952 112.719 108.800 -0.055 0.000 2.957 26 G HA2 0.367 -2.699 3.960 -11.709 0.000 0.636 26 G HA3 0.367 -2.699 3.960 -11.709 0.000 0.636 26 G C -0.287 174.617 174.900 0.008 0.000 1.401 26 G CA -0.244 44.846 45.100 -0.017 0.000 0.941 26 G HN 1.124 nan 8.290 nan 0.000 0.610 27 A N 1.298 124.137 122.820 0.030 0.000 2.637 27 A HA 0.772 -1.934 4.320 -11.709 0.000 0.293 27 A C 1.470 179.079 177.584 0.042 0.000 1.216 27 A CA 1.167 53.242 52.037 0.062 0.000 0.956 27 A CB -0.179 18.872 19.000 0.086 0.000 1.174 27 A HN 2.057 nan 8.150 nan 0.000 0.525 28 G N -0.473 108.355 108.800 0.048 0.000 2.468 28 G HA2 0.357 -2.709 3.960 -11.709 0.000 0.264 28 G HA3 0.357 -2.709 3.960 -11.709 0.000 0.264 28 G C 1.189 176.137 174.900 0.080 0.000 1.460 28 G CA 0.208 45.343 45.100 0.058 0.000 1.060 28 G HN 0.511 nan 8.290 nan 0.000 0.543 29 G N -0.081 108.774 108.800 0.092 0.000 2.511 29 G HA2 0.030 -3.036 3.960 -11.709 0.000 0.216 29 G HA3 0.030 -3.036 3.960 -11.709 0.000 0.216 29 G C 2.059 177.037 174.900 0.130 0.000 1.218 29 G CA 2.225 47.394 45.100 0.115 0.000 0.788 29 G HN 0.942 nan 8.290 nan 0.000 0.560 30 A N 0.874 123.765 122.820 0.118 0.000 1.851 30 A HA 0.127 -2.579 4.320 -11.709 0.000 0.216 30 A C 2.765 180.396 177.584 0.078 0.000 1.195 30 A CA 2.399 54.502 52.037 0.109 0.000 0.622 30 A CB -1.415 17.653 19.000 0.114 0.000 0.831 30 A HN 0.715 nan 8.150 nan 0.000 0.444 31 G N 0.032 108.870 108.800 0.063 0.000 2.631 31 G HA2 -0.271 -3.337 3.960 -11.709 0.000 0.219 31 G HA3 -0.271 -3.337 3.960 -11.709 0.000 0.219 31 G C 1.406 176.338 174.900 0.054 0.000 1.214 31 G CA 1.478 46.599 45.100 0.034 0.000 0.785 31 G HN 0.338 nan 8.290 nan 0.000 0.596 32 L N 0.689 121.989 121.223 0.128 0.000 2.011 32 L HA -0.187 -2.872 4.340 -11.709 0.000 0.225 32 L C 2.852 179.903 176.870 0.302 0.000 1.084 32 L CA 2.414 57.404 54.840 0.249 0.000 0.791 32 L CB -1.120 41.103 42.059 0.272 0.000 0.898 32 L HN 0.291 nan 8.230 nan 0.000 0.440 33 R N -0.398 120.240 120.500 0.230 0.000 2.103 33 R HA -0.155 -2.840 4.340 -11.709 0.000 0.242 33 R C 2.106 178.204 176.300 -0.336 0.000 1.142 33 R CA 1.837 57.952 56.100 0.025 0.000 0.960 33 R CB -0.808 29.553 30.300 0.101 0.000 0.858 33 R HN 0.433 nan 8.270 nan 0.000 0.439 34 A N -0.167 122.559 122.820 -0.158 0.000 1.930 34 A HA 0.050 -2.656 4.320 -11.709 0.000 0.217 34 A C 2.330 179.780 177.584 -0.224 0.000 1.175 34 A CA 1.582 53.498 52.037 -0.202 0.000 0.627 34 A CB -0.956 17.967 19.000 -0.128 0.000 0.815 34 A HN 0.481 nan 8.150 nan 0.000 0.443 35 A N 0.246 122.991 122.820 -0.125 0.000 1.835 35 A HA 0.006 -2.700 4.320 -11.709 0.000 0.215 35 A C 2.065 179.634 177.584 -0.025 0.000 1.199 35 A CA 1.751 53.736 52.037 -0.086 0.000 0.615 35 A CB -1.094 17.877 19.000 -0.049 0.000 0.838 35 A HN 1.055 nan 8.150 nan 0.000 0.444 36 F N 0.232 120.205 119.950 0.039 0.000 2.186 36 F HA 0.159 -2.340 4.527 -11.709 0.000 0.299 36 F C 2.102 177.955 175.800 0.089 0.000 1.090 36 F CA 0.866 58.962 58.000 0.160 0.000 1.307 36 F CB -1.195 37.956 39.000 0.252 0.000 1.019 36 F HN 0.151 nan 8.300 nan 0.000 0.489 37 G N 1.889 110.206 108.800 -0.806 0.000 2.505 37 G HA2 -0.254 -3.320 3.960 -11.709 0.000 0.220 37 G HA3 -0.254 -3.320 3.960 -11.709 0.000 0.220 37 G C 1.761 176.483 174.900 -0.296 0.000 1.145 37 G CA 1.445 46.215 45.100 -0.551 0.000 0.761 37 G HN 0.484 nan 8.290 nan 0.000 0.571 38 L N 0.445 121.507 121.223 -0.269 0.000 2.005 38 L HA -0.079 -2.765 4.340 -11.709 0.000 0.207 38 L C 3.266 180.110 176.870 -0.044 0.000 1.072 38 L CA 1.378 56.072 54.840 -0.245 0.000 0.744 38 L CB -0.380 41.520 42.059 -0.265 0.000 0.895 38 L HN 0.207 nan 8.230 nan 0.000 0.433 39 S N -0.661 115.027 115.700 -0.020 0.000 2.383 39 S HA -0.272 -2.828 4.470 -11.709 0.000 0.229 39 S C 1.819 176.323 174.600 -0.160 0.000 1.030 39 S CA 1.506 59.711 58.200 0.007 0.000 1.002 39 S CB -0.297 62.949 63.200 0.077 0.000 0.829 39 S HN 0.408 nan 8.310 nan 0.000 0.467 40 E N 1.140 121.135 120.200 -0.341 0.000 2.110 40 E HA -0.127 -2.803 4.350 -11.709 0.000 0.193 40 E C 1.739 178.225 176.600 -0.190 0.000 0.988 40 E CA 0.997 57.089 56.400 -0.512 0.000 0.804 40 E CB -0.180 29.285 29.700 -0.392 0.000 0.745 40 E HN 0.510 nan 8.360 nan 0.000 0.458 41 A N -0.049 122.754 122.820 -0.029 0.000 2.252 41 A HA 0.210 -2.495 4.320 -11.709 0.000 0.207 41 A C 1.347 179.016 177.584 0.142 0.000 1.194 41 A CA 0.896 52.997 52.037 0.107 0.000 0.809 41 A CB -0.453 18.666 19.000 0.199 0.000 0.814 41 A HN 0.420 nan 8.150 nan 0.000 0.482 42 G N -1.871 106.958 108.800 0.049 0.000 2.165 42 G HA2 -0.216 -3.281 3.960 -11.709 0.000 0.226 42 G HA3 -0.216 -3.281 3.960 -11.709 0.000 0.226 42 G C -0.262 174.561 174.900 -0.129 0.000 1.035 42 G CA -0.093 44.971 45.100 -0.059 0.000 0.744 42 G HN 0.292 nan 8.290 nan 0.000 0.501 43 F N 0.708 120.623 119.950 -0.057 0.000 2.420 43 F HA 0.402 -2.096 4.527 -11.709 0.000 0.342 43 F C 0.787 176.595 175.800 0.014 0.000 1.113 43 F CA -1.102 56.883 58.000 -0.024 0.000 1.059 43 F CB 1.376 40.351 39.000 -0.042 0.000 1.128 43 F HN 0.125 nan 8.300 nan 0.000 0.475 44 N N 2.498 121.314 118.700 0.193 0.000 2.402 44 N HA 0.089 -2.197 4.740 -11.709 0.000 0.259 44 N C -1.160 174.562 175.510 0.354 0.000 1.167 44 N CA 0.076 53.266 53.050 0.234 0.000 0.949 44 N CB 0.329 38.916 38.487 0.166 0.000 1.212 44 N HN 0.562 nan 8.380 nan 0.000 0.493 45 T N 2.317 117.014 114.554 0.239 0.000 2.809 45 T HA 0.382 -2.294 4.350 -11.709 0.000 0.296 45 T C -0.025 174.563 174.700 -0.186 0.000 1.015 45 T CA -0.566 61.565 62.100 0.051 0.000 0.954 45 T CB 1.331 70.191 68.868 -0.012 0.000 0.950 45 T HN 0.544 nan 8.240 nan 0.000 0.450 46 A N 1.859 124.328 122.820 -0.586 0.000 2.401 46 A HA 0.530 -2.176 4.320 -11.709 0.000 0.259 46 A C 0.435 177.737 177.584 -0.470 0.000 1.103 46 A CA -0.593 50.964 52.037 -0.800 0.000 0.789 46 A CB 0.114 18.190 19.000 -1.539 0.000 1.035 46 A HN 0.957 nan 8.150 nan 0.000 0.491 47 C N 4.261 123.323 119.300 -0.397 0.000 2.321 47 C HA 0.591 -1.974 4.460 -11.709 0.000 0.323 47 C C -0.451 174.420 174.990 -0.199 0.000 1.191 47 C CA -0.425 58.377 59.018 -0.360 0.000 1.455 47 C CB -0.876 26.515 27.740 -0.582 0.000 2.083 47 C HN 0.681 nan 8.230 nan 0.000 0.442 48 V N 5.793 125.598 119.914 -0.182 0.000 2.432 48 V HA 0.695 -2.211 4.120 -11.709 0.000 0.275 48 V C 0.534 176.603 176.094 -0.042 0.000 1.043 48 V CA 0.232 62.464 62.300 -0.113 0.000 0.925 48 V CB 1.557 33.261 31.823 -0.198 0.000 0.985 48 V HN 0.921 nan 8.190 nan 0.000 0.466 49 T N 3.571 118.148 114.554 0.039 0.000 3.105 49 T HA 0.322 -2.354 4.350 -11.709 0.000 0.321 49 T C 0.555 175.324 174.700 0.115 0.000 1.135 49 T CA -0.538 61.596 62.100 0.056 0.000 1.053 49 T CB 1.500 70.402 68.868 0.056 0.000 1.133 49 T HN 0.848 nan 8.240 nan 0.000 0.463 50 K N 3.933 124.399 120.400 0.110 0.000 2.296 50 K HA 0.266 -2.440 4.320 -11.709 0.000 0.200 50 K C 0.370 177.065 176.600 0.158 0.000 1.048 50 K CA 0.545 56.931 56.287 0.166 0.000 0.966 50 K CB 0.028 32.688 32.500 0.267 0.000 0.754 50 K HN 0.453 nan 8.250 nan 0.000 0.466 51 L N 0.933 122.245 121.223 0.148 0.000 2.322 51 L HA 0.376 -2.309 4.340 -11.709 0.000 0.269 51 L C -0.271 176.698 176.870 0.165 0.000 1.012 51 L CA -1.593 53.352 54.840 0.175 0.000 0.815 51 L CB 1.036 43.186 42.059 0.152 0.000 1.295 51 L HN -0.056 nan 8.230 nan 0.000 0.438 52 F N 3.461 123.445 119.950 0.057 0.000 2.602 52 F HA 0.097 -2.401 4.527 -11.709 0.000 0.385 52 F C -1.448 174.283 175.800 -0.114 0.000 1.063 52 F CA -1.049 56.931 58.000 -0.033 0.000 1.233 52 F CB 0.615 39.577 39.000 -0.064 0.000 1.067 52 F HN 0.340 nan 8.300 nan 0.000 0.564 53 P HA -0.280 nan 4.420 nan 0.000 0.221 53 P C 1.658 178.701 177.300 -0.429 0.000 1.160 53 P CA 2.874 65.606 63.100 -0.613 0.000 0.933 53 P CB -0.166 30.977 31.700 -0.928 0.000 0.793 54 T N -0.854 113.365 114.554 -0.558 0.000 2.869 54 T HA -0.150 -2.826 4.350 -11.709 0.000 0.270 54 T C 1.551 176.243 174.700 -0.014 0.000 1.082 54 T CA 1.023 62.953 62.100 -0.282 0.000 1.123 54 T CB -0.402 68.326 68.868 -0.234 0.000 0.856 54 T HN 0.063 nan 8.240 nan 0.000 0.499 55 R N 1.392 121.949 120.500 0.095 0.000 2.236 55 R HA 0.197 -2.488 4.340 -11.709 0.000 0.208 55 R C 1.201 177.566 176.300 0.108 0.000 1.036 55 R CA 0.037 56.215 56.100 0.129 0.000 1.001 55 R CB -0.708 29.694 30.300 0.170 0.000 0.896 55 R HN 0.262 nan 8.270 nan 0.000 0.464 56 S N 1.441 117.180 115.700 0.065 0.000 2.554 56 S HA -0.101 -2.656 4.470 -11.709 0.000 0.290 56 S C 1.175 175.852 174.600 0.129 0.000 1.309 56 S CA -0.043 58.208 58.200 0.086 0.000 1.047 56 S CB 0.489 63.717 63.200 0.047 0.000 0.828 56 S HN 0.391 nan 8.310 nan 0.000 0.509 57 H N 2.984 122.074 119.070 0.033 0.000 2.390 57 H HA -0.135 -2.605 4.556 -11.710 0.000 0.298 57 H C 2.208 177.559 175.328 0.037 0.000 1.106 57 H CA 2.409 58.471 56.048 0.024 0.000 1.297 57 H CB -0.824 28.936 29.762 -0.003 0.000 1.375 57 H HN 0.811 nan 8.280 nan 0.000 0.509 58 T N -1.697 112.878 114.554 0.035 0.000 2.792 58 T HA -0.231 -2.906 4.350 -11.709 0.000 0.268 58 T C 2.083 176.766 174.700 -0.028 0.000 1.059 58 T CA 1.740 63.831 62.100 -0.015 0.000 1.136 58 T CB -1.314 67.584 68.868 0.049 0.000 0.846 58 T HN 0.224 nan 8.240 nan 0.000 0.489 59 V N 2.355 122.275 119.914 0.011 0.000 2.287 59 V HA -0.149 -3.054 4.120 -11.709 0.000 0.248 59 V C 3.206 179.312 176.094 0.020 0.000 1.053 59 V CA 1.482 63.836 62.300 0.091 0.000 1.027 59 V CB -1.829 30.087 31.823 0.155 0.000 0.646 59 V HN 0.652 nan 8.190 nan 0.000 0.447 60 A N 0.693 123.438 122.820 -0.125 0.000 2.084 60 A HA 0.119 -2.586 4.320 -11.709 0.000 0.221 60 A C 1.608 179.117 177.584 -0.125 0.000 1.161 60 A CA 1.129 53.059 52.037 -0.179 0.000 0.653 60 A CB -0.879 17.870 19.000 -0.419 0.000 0.802 60 A HN 0.855 nan 8.150 nan 0.000 0.457 61 A N -0.974 121.783 122.820 -0.105 0.000 2.511 61 A HA 0.358 -2.347 4.320 -11.709 0.000 0.242 61 A C 0.787 178.388 177.584 0.028 0.000 1.069 61 A CA 0.548 52.572 52.037 -0.023 0.000 0.763 61 A CB 0.204 19.205 19.000 0.001 0.000 1.001 61 A HN 0.623 nan 8.150 nan 0.000 0.498 62 Q N 2.012 121.847 119.800 0.058 0.000 2.618 62 Q HA 0.140 -2.546 4.340 -11.709 0.000 0.209 62 Q C 2.198 178.267 176.000 0.115 0.000 0.797 62 Q CA 0.473 56.324 55.803 0.079 0.000 0.888 62 Q CB -0.070 28.713 28.738 0.075 0.000 1.244 62 Q HN 0.920 nan 8.270 nan 0.000 0.626 63 G N 0.678 109.580 108.800 0.171 0.000 2.812 63 G HA2 0.008 -3.058 3.960 -11.709 0.000 0.218 63 G HA3 0.008 -3.058 3.960 -11.709 0.000 0.218 63 G C 0.622 175.572 174.900 0.084 0.000 1.287 63 G CA 1.179 46.427 45.100 0.246 0.000 0.796 63 G HN 0.555 nan 8.290 nan 0.000 0.649 64 G N -1.796 106.969 108.800 -0.060 0.000 2.344 64 G HA2 0.364 -2.701 3.960 -11.709 0.000 0.282 64 G HA3 0.364 -2.701 3.960 -11.709 0.000 0.282 64 G C -1.757 173.087 174.900 -0.093 0.000 1.281 64 G CA -0.199 44.874 45.100 -0.045 0.000 0.877 64 G HN 0.850 nan 8.290 nan 0.000 0.494 65 I N 0.770 121.328 120.570 -0.020 0.000 2.466 65 I HA 0.438 -2.417 4.170 -11.709 0.000 0.289 65 I C -1.038 175.046 176.117 -0.054 0.000 1.026 65 I CA -1.089 60.209 61.300 -0.003 0.000 1.078 65 I CB 1.770 39.834 38.000 0.106 0.000 1.249 65 I HN 0.393 nan 8.210 nan 0.000 0.429 66 N N 6.379 125.027 118.700 -0.087 0.000 2.472 66 N HA 0.643 -1.643 4.740 -11.709 0.000 0.277 66 N C -0.903 174.528 175.510 -0.131 0.000 1.081 66 N CA -0.162 52.783 53.050 -0.175 0.000 0.973 66 N CB 1.814 40.138 38.487 -0.271 0.000 1.105 66 N HN 0.656 nan 8.380 nan 0.000 0.470 67 A N 0.755 123.466 122.820 -0.182 0.000 2.491 67 A HA 0.613 -2.092 4.320 -11.709 0.000 0.293 67 A C -0.312 177.210 177.584 -0.103 0.000 1.047 67 A CA -0.776 51.202 52.037 -0.099 0.000 0.735 67 A CB 0.801 19.744 19.000 -0.094 0.000 1.281 67 A HN 0.560 nan 8.150 nan 0.000 0.398 68 A N 2.541 125.353 122.820 -0.013 0.000 2.958 68 A HA 0.398 -2.308 4.320 -11.709 0.000 0.247 68 A C 0.915 178.490 177.584 -0.014 0.000 1.679 68 A CA 0.010 52.050 52.037 0.005 0.000 1.345 68 A CB -0.966 18.093 19.000 0.098 0.000 1.013 68 A HN 0.922 nan 8.150 nan 0.000 0.641 69 L N 0.207 121.398 121.223 -0.054 0.000 2.465 69 L HA 0.030 -2.656 4.340 -11.709 0.000 0.224 69 L C 1.652 178.492 176.870 -0.051 0.000 1.145 69 L CA 0.723 55.525 54.840 -0.064 0.000 0.834 69 L CB -0.195 41.803 42.059 -0.102 0.000 0.944 69 L HN 0.776 nan 8.230 nan 0.000 0.451 70 G N 0.880 109.656 108.800 -0.041 0.000 2.374 70 G HA2 -0.301 -3.367 3.960 -11.709 0.000 0.289 70 G HA3 -0.301 -3.367 3.960 -11.709 0.000 0.289 70 G C 0.316 175.200 174.900 -0.027 0.000 1.004 70 G CA 0.492 45.579 45.100 -0.022 0.000 1.292 70 G HN 0.359 nan 8.290 nan 0.000 0.502 71 N N -0.302 118.376 118.700 -0.037 0.000 2.368 71 N HA 0.169 -2.116 4.740 -11.709 0.000 0.178 71 N C 2.270 177.765 175.510 -0.025 0.000 1.076 71 N CA 0.795 53.824 53.050 -0.035 0.000 0.889 71 N CB -0.021 38.434 38.487 -0.052 0.000 1.040 71 N HN 0.487 nan 8.380 nan 0.000 0.463 72 M N 0.368 119.949 119.600 -0.032 0.000 2.299 72 M HA 0.125 -2.421 4.480 -11.709 0.000 0.238 72 M C 1.046 177.325 176.300 -0.034 0.000 1.174 72 M CA 0.931 56.203 55.300 -0.046 0.000 1.191 72 M CB -1.124 31.426 32.600 -0.082 0.000 1.207 72 M HN 0.050 nan 8.290 nan 0.000 0.462 73 E N 2.147 122.341 120.200 -0.008 0.000 2.700 73 E HA 0.224 -2.451 4.350 -11.709 0.000 0.253 73 E C -0.676 175.953 176.600 0.048 0.000 1.175 73 E CA -0.422 55.993 56.400 0.024 0.000 1.010 73 E CB 0.404 30.137 29.700 0.055 0.000 1.284 73 E HN 0.429 nan 8.360 nan 0.000 0.557 74 E N 0.769 121.015 120.200 0.077 0.000 2.174 74 E HA 0.387 -2.289 4.350 -11.709 0.000 0.282 74 E C -0.966 175.715 176.600 0.134 0.000 0.992 74 E CA -0.697 55.745 56.400 0.069 0.000 0.803 74 E CB 1.221 30.950 29.700 0.048 0.000 1.090 74 E HN 0.324 nan 8.360 nan 0.000 0.396 75 D N 1.634 122.041 120.400 0.011 0.000 2.467 75 D HA 0.385 -2.001 4.640 -11.709 0.000 0.245 75 D C -1.220 174.761 176.300 -0.533 0.000 1.038 75 D CA -0.734 53.225 54.000 -0.068 0.000 1.038 75 D CB 1.581 42.388 40.800 0.012 0.000 1.278 75 D HN 0.474 nan 8.370 nan 0.000 0.564 76 N N 1.023 119.178 118.700 -0.909 0.000 2.425 76 N HA 0.047 -2.239 4.740 -11.709 0.000 0.289 76 N C 0.915 176.032 175.510 -0.655 0.000 1.074 76 N CA -0.685 51.743 53.050 -1.035 0.000 0.905 76 N CB 0.784 38.146 38.487 -1.875 0.000 1.586 76 N HN 0.636 nan 8.380 nan 0.000 0.490 77 W N 4.162 125.295 121.300 -0.278 0.000 2.359 77 W HA -0.114 -2.481 4.660 -11.711 0.000 0.275 77 W C 0.601 177.124 176.519 0.008 0.000 1.217 77 W CA 0.256 57.565 57.345 -0.059 0.000 1.196 77 W CB -0.483 28.960 29.460 -0.029 0.000 1.129 77 W HN 0.460 nan 8.180 nan 0.000 0.566 78 R N -0.402 119.662 120.500 -0.727 0.000 2.148 78 R HA -0.119 -2.805 4.340 -11.709 0.000 0.227 78 R C 2.067 178.354 176.300 -0.021 0.000 1.103 78 R CA 1.934 57.762 56.100 -0.454 0.000 0.983 78 R CB -0.634 29.250 30.300 -0.693 0.000 0.874 78 R HN 0.127 nan 8.270 nan 0.000 0.451 79 W N -0.012 121.080 121.300 -0.347 0.000 2.418 79 W HA -0.043 -2.410 4.660 -11.711 0.000 0.292 79 W C 2.010 178.568 176.519 0.064 0.000 1.213 79 W CA 0.533 57.661 57.345 -0.362 0.000 1.283 79 W CB -1.229 27.978 29.460 -0.421 0.000 1.119 79 W HN 0.325 nan 8.180 nan 0.000 0.542 80 H N -0.963 118.249 119.070 0.237 0.000 2.387 80 H HA -0.215 -2.685 4.556 -11.709 0.000 0.299 80 H C 2.208 177.696 175.328 0.267 0.000 1.090 80 H CA 1.588 57.772 56.048 0.226 0.000 1.332 80 H CB -0.398 29.483 29.762 0.199 0.000 1.386 80 H HN 0.019 nan 8.280 nan 0.000 0.516 81 F N 0.996 121.048 119.950 0.170 0.000 2.069 81 F HA -0.283 -2.781 4.527 -11.708 0.000 0.298 81 F C 2.384 178.285 175.800 0.167 0.000 1.113 81 F CA 1.893 59.977 58.000 0.139 0.000 1.214 81 F CB -1.183 37.955 39.000 0.230 0.000 0.978 81 F HN 0.201 nan 8.300 nan 0.000 0.474 82 Y N 1.394 121.676 120.300 -0.029 0.000 2.081 82 Y HA -0.292 -2.765 4.550 -11.706 0.000 0.280 82 Y C 2.367 178.175 175.900 -0.153 0.000 1.163 82 Y CA 2.300 60.342 58.100 -0.097 0.000 1.135 82 Y CB -0.798 37.849 38.460 0.312 0.000 0.970 82 Y HN 0.135 nan 8.280 nan 0.000 0.498 83 D N -0.698 119.807 120.400 0.176 0.000 2.117 83 D HA -0.154 -2.540 4.640 -11.709 0.000 0.197 83 D C 2.060 178.321 176.300 -0.065 0.000 0.987 83 D CA 2.024 56.099 54.000 0.124 0.000 0.829 83 D CB -0.273 40.692 40.800 0.275 0.000 0.961 83 D HN 0.448 nan 8.370 nan 0.000 0.460 84 T N 0.706 115.202 114.554 -0.097 0.000 2.674 84 T HA -0.123 -2.799 4.350 -11.709 0.000 0.265 84 T C 2.127 176.636 174.700 -0.317 0.000 1.039 84 T CA 0.808 62.822 62.100 -0.143 0.000 1.150 84 T CB -0.541 68.248 68.868 -0.132 0.000 0.864 84 T HN -0.013 nan 8.240 nan 0.000 0.427 85 V N 1.424 121.014 119.914 -0.541 0.000 2.427 85 V HA -0.122 -3.027 4.120 -11.709 0.000 0.248 85 V C 2.515 178.000 176.094 -1.015 0.000 1.051 85 V CA 1.830 63.695 62.300 -0.725 0.000 1.048 85 V CB -0.453 30.848 31.823 -0.870 0.000 0.666 85 V HN 0.392 nan 8.190 nan 0.000 0.456 86 K N -0.242 119.561 120.400 -0.996 0.000 2.057 86 K HA -0.108 -2.814 4.320 -11.709 0.000 0.207 86 K C 2.018 178.269 176.600 -0.581 0.000 1.049 86 K CA 1.636 57.277 56.287 -1.077 0.000 0.931 86 K CB -0.679 31.334 32.500 -0.812 0.000 0.714 86 K HN 0.574 nan 8.250 nan 0.000 0.440 87 G N 0.388 109.025 108.800 -0.271 0.000 2.471 87 G HA2 -0.209 -3.275 3.960 -11.709 0.000 0.219 87 G HA3 -0.209 -3.275 3.960 -11.709 0.000 0.219 87 G C 1.409 176.227 174.900 -0.136 0.000 1.125 87 G CA 0.956 46.009 45.100 -0.078 0.000 0.775 87 G HN 0.490 nan 8.290 nan 0.000 0.548 88 S N -0.205 115.338 115.700 -0.261 0.000 2.515 88 S HA -0.011 -2.567 4.470 -11.709 0.000 0.231 88 S C 1.114 175.610 174.600 -0.173 0.000 0.987 88 S CA 1.074 59.154 58.200 -0.199 0.000 0.936 88 S CB -0.055 63.007 63.200 -0.230 0.000 0.766 88 S HN 0.259 nan 8.310 nan 0.000 0.528 89 D N -0.053 120.213 120.400 -0.223 0.000 2.907 89 D HA -0.178 -2.564 4.640 -11.709 0.000 0.226 89 D C -0.414 176.025 176.300 0.231 0.000 1.141 89 D CA 1.045 55.081 54.000 0.060 0.000 0.779 89 D CB -2.014 38.864 40.800 0.130 0.000 1.095 89 D HN 0.675 nan 8.370 nan 0.000 0.430 90 W N -2.443 118.812 121.300 -0.075 0.000 3.834 90 W HA -0.324 -2.696 4.660 -11.719 0.000 0.320 90 W C 1.253 177.737 176.519 -0.058 0.000 1.201 90 W CA 0.664 57.959 57.345 -0.083 0.000 0.701 90 W CB -2.027 27.357 29.460 -0.128 0.000 2.264 90 W HN 0.303 nan 8.180 nan 0.000 1.413 91 L N 0.190 121.443 121.223 0.051 0.000 2.554 91 L HA 0.368 -2.317 4.340 -11.709 0.000 0.225 91 L C 1.811 178.736 176.870 0.091 0.000 1.104 91 L CA 1.485 56.331 54.840 0.010 0.000 0.866 91 L CB -0.155 41.858 42.059 -0.076 0.000 1.047 91 L HN -0.040 nan 8.230 nan 0.000 0.468 92 G N 0.172 108.974 108.800 0.004 0.000 2.365 92 G HA2 0.085 -2.981 3.960 -11.709 0.000 0.249 92 G HA3 0.085 -2.981 3.960 -11.709 0.000 0.249 92 G C -0.753 174.197 174.900 0.083 0.000 1.288 92 G CA -0.399 44.708 45.100 0.013 0.000 0.887 92 G HN 0.129 nan 8.290 nan 0.000 0.524 93 D N 2.511 122.998 120.400 0.146 0.000 2.336 93 D HA 0.070 -2.316 4.640 -11.709 0.000 0.249 93 D C 1.556 177.970 176.300 0.190 0.000 1.213 93 D CA -0.012 54.102 54.000 0.190 0.000 0.870 93 D CB 1.417 42.338 40.800 0.203 0.000 1.076 93 D HN 0.493 nan 8.370 nan 0.000 0.483 94 Q N 1.777 121.712 119.800 0.225 0.000 2.170 94 Q HA -0.162 -2.847 4.340 -11.709 0.000 0.203 94 Q C 1.337 177.552 176.000 0.359 0.000 0.976 94 Q CA 1.010 57.022 55.803 0.348 0.000 0.858 94 Q CB 0.068 29.041 28.738 0.390 0.000 0.907 94 Q HN 0.562 nan 8.270 nan 0.000 0.433 95 D N 1.158 121.703 120.400 0.243 0.000 2.133 95 D HA -0.184 -2.570 4.640 -11.709 0.000 0.195 95 D C 1.711 178.096 176.300 0.142 0.000 0.997 95 D CA 1.705 55.794 54.000 0.149 0.000 0.840 95 D CB -0.286 40.586 40.800 0.121 0.000 0.947 95 D HN 0.197 nan 8.370 nan 0.000 0.452 96 A N 0.651 123.617 122.820 0.243 0.000 1.898 96 A HA 0.071 -2.635 4.320 -11.709 0.000 0.214 96 A C 2.636 180.454 177.584 0.389 0.000 1.183 96 A CA 0.879 53.127 52.037 0.351 0.000 0.622 96 A CB -0.639 18.510 19.000 0.248 0.000 0.824 96 A HN 0.267 nan 8.150 nan 0.000 0.444 97 I N -0.945 119.817 120.570 0.320 0.000 2.179 97 I HA -0.308 -3.164 4.170 -11.709 0.000 0.242 97 I C 2.536 178.927 176.117 0.457 0.000 1.088 97 I CA 1.827 63.319 61.300 0.321 0.000 1.357 97 I CB -0.701 37.447 38.000 0.248 0.000 1.051 97 I HN 0.609 nan 8.210 nan 0.000 0.409 98 H N 0.461 119.760 119.070 0.382 0.000 2.265 98 H HA -0.336 -2.806 4.556 -11.710 0.000 0.295 98 H C 2.464 177.812 175.328 0.032 0.000 1.084 98 H CA 2.332 58.465 56.048 0.142 0.000 1.261 98 H CB -0.388 29.323 29.762 -0.085 0.000 1.360 98 H HN 0.342 nan 8.280 nan 0.000 0.487 99 Y N 0.698 120.848 120.300 -0.249 0.000 2.181 99 Y HA -0.331 -2.807 4.550 -11.710 0.000 0.284 99 Y C 2.902 178.631 175.900 -0.284 0.000 1.179 99 Y CA 2.127 59.998 58.100 -0.381 0.000 1.179 99 Y CB -0.197 38.121 38.460 -0.237 0.000 0.973 99 Y HN 0.309 nan 8.280 nan 0.000 0.519 100 M N -0.636 118.909 119.600 -0.091 0.000 2.115 100 M HA -0.154 -2.699 4.480 -11.709 0.000 0.261 100 M C 2.372 178.550 176.300 -0.205 0.000 1.079 100 M CA 2.225 57.408 55.300 -0.195 0.000 1.143 100 M CB -0.418 32.210 32.600 0.047 0.000 1.332 100 M HN 0.422 nan 8.290 nan 0.000 0.421 101 T N -1.468 113.032 114.554 -0.090 0.000 2.720 101 T HA -0.236 -2.911 4.350 -11.709 0.000 0.268 101 T C 1.483 176.124 174.700 -0.099 0.000 1.037 101 T CA 1.810 63.890 62.100 -0.033 0.000 1.144 101 T CB -0.718 68.195 68.868 0.075 0.000 0.864 101 T HN 0.589 nan 8.240 nan 0.000 0.444 102 E N 1.708 121.626 120.200 -0.470 0.000 2.070 102 E HA -0.271 -2.946 4.350 -11.709 0.000 0.197 102 E C 2.279 178.342 176.600 -0.894 0.000 1.004 102 E CA 1.818 57.397 56.400 -1.369 0.000 0.805 102 E CB -0.551 28.357 29.700 -1.321 0.000 0.744 102 E HN 0.631 nan 8.360 nan 0.000 0.451 103 Q N -0.486 118.898 119.800 -0.694 0.000 2.444 103 Q HA 0.211 -2.475 4.340 -11.709 0.000 0.206 103 Q C 1.590 177.371 176.000 -0.366 0.000 0.948 103 Q CA 0.892 56.345 55.803 -0.584 0.000 0.946 103 Q CB -0.243 28.021 28.738 -0.791 0.000 1.027 103 Q HN 0.402 nan 8.270 nan 0.000 0.513 104 A N 1.314 123.980 122.820 -0.256 0.000 1.865 104 A HA -0.112 -2.818 4.320 -11.709 0.000 0.217 104 A C -0.460 177.062 177.584 -0.104 0.000 1.191 104 A CA 1.486 53.465 52.037 -0.096 0.000 0.623 104 A CB -1.543 17.515 19.000 0.097 0.000 0.826 104 A HN 0.462 nan 8.150 nan 0.000 0.444 105 P HA 0.053 nan 4.420 nan 0.000 0.222 105 P C 1.521 178.737 177.300 -0.139 0.000 1.153 105 P CA 1.455 64.488 63.100 -0.112 0.000 0.798 105 P CB -0.048 31.601 31.700 -0.085 0.000 0.796 106 A N -0.605 122.112 122.820 -0.172 0.000 1.898 106 A HA -0.121 -2.827 4.320 -11.709 0.000 0.216 106 A C 2.405 179.895 177.584 -0.156 0.000 1.181 106 A CA 1.927 53.863 52.037 -0.169 0.000 0.620 106 A CB -1.469 17.409 19.000 -0.203 0.000 0.819 106 A HN 0.094 nan 8.150 nan 0.000 0.442 107 S N -0.706 114.900 115.700 -0.156 0.000 2.368 107 S HA -0.090 -2.646 4.470 -11.709 0.000 0.224 107 S C 1.890 176.436 174.600 -0.089 0.000 1.029 107 S CA 1.334 59.462 58.200 -0.120 0.000 0.988 107 S CB -0.273 62.861 63.200 -0.110 0.000 0.838 107 S HN 0.309 nan 8.310 nan 0.000 0.462 108 V N 1.166 121.027 119.914 -0.089 0.000 2.453 108 V HA -0.077 -2.983 4.120 -11.709 0.000 0.247 108 V C 2.221 178.228 176.094 -0.144 0.000 1.048 108 V CA 1.144 63.393 62.300 -0.086 0.000 1.049 108 V CB -0.447 31.292 31.823 -0.140 0.000 0.672 108 V HN 0.306 nan 8.190 nan 0.000 0.457 109 V N 0.238 120.057 119.914 -0.159 0.000 2.407 109 V HA -0.275 -3.181 4.120 -11.709 0.000 0.248 109 V C 2.500 178.503 176.094 -0.152 0.000 1.055 109 V CA 2.333 64.541 62.300 -0.152 0.000 1.049 109 V CB -0.470 31.274 31.823 -0.131 0.000 0.662 109 V HN 0.737 nan 8.190 nan 0.000 0.455 110 E N -0.090 119.991 120.200 -0.198 0.000 2.110 110 E HA -0.231 -2.906 4.350 -11.709 0.000 0.193 110 E C 2.208 178.470 176.600 -0.563 0.000 0.988 110 E CA 1.391 57.574 56.400 -0.362 0.000 0.804 110 E CB -0.127 29.365 29.700 -0.346 0.000 0.745 110 E HN 0.574 nan 8.360 nan 0.000 0.458 111 L N 1.027 122.100 121.223 -0.250 0.000 2.109 111 L HA -0.124 -2.809 4.340 -11.709 0.000 0.207 111 L C 2.820 179.780 176.870 0.150 0.000 1.086 111 L CA 1.149 55.977 54.840 -0.019 0.000 0.760 111 L CB -0.274 41.909 42.059 0.206 0.000 0.910 111 L HN 0.180 nan 8.230 nan 0.000 0.437 112 E N 0.336 120.656 120.200 0.201 0.000 2.204 112 E HA -0.185 -2.860 4.350 -11.709 0.000 0.194 112 E C 1.607 178.275 176.600 0.114 0.000 0.989 112 E CA 0.965 57.520 56.400 0.259 0.000 0.824 112 E CB 0.042 29.831 29.700 0.147 0.000 0.756 112 E HN 0.443 nan 8.360 nan 0.000 0.477 113 N N -0.442 118.263 118.700 0.008 0.000 2.331 113 N HA -0.071 -2.356 4.740 -11.709 0.000 0.180 113 N C 1.528 177.111 175.510 0.123 0.000 1.019 113 N CA 0.682 53.742 53.050 0.017 0.000 0.881 113 N CB -0.358 38.099 38.487 -0.049 0.000 0.972 113 N HN 0.354 nan 8.380 nan 0.000 0.435 114 Y N -0.781 119.550 120.300 0.052 0.000 2.293 114 Y HA -0.018 -2.493 4.550 -11.710 0.000 0.291 114 Y C 1.594 177.489 175.900 -0.008 0.000 1.137 114 Y CA 0.438 58.543 58.100 0.008 0.000 1.202 114 Y CB 0.256 38.714 38.460 -0.003 0.000 0.990 114 Y HN 0.205 nan 8.280 nan 0.000 0.537 115 G N -0.006 108.902 108.800 0.179 0.000 2.200 115 G HA2 -0.218 -3.283 3.960 -11.709 0.000 0.145 115 G HA3 -0.218 -3.283 3.960 -11.709 0.000 0.145 115 G C -0.014 174.925 174.900 0.065 0.000 1.021 115 G CA -0.422 44.737 45.100 0.098 0.000 0.720 115 G HN 0.153 nan 8.290 nan 0.000 0.494 116 M N 2.859 122.506 119.600 0.079 0.000 2.356 116 M HA 0.295 -2.251 4.480 -11.709 0.000 0.348 116 M C -1.593 174.661 176.300 -0.076 0.000 1.595 116 M CA -1.115 54.147 55.300 -0.063 0.000 1.095 116 M CB 0.554 33.057 32.600 -0.161 0.000 1.963 116 M HN -0.015 nan 8.290 nan 0.000 0.459 117 P HA 0.052 nan 4.420 nan 0.000 0.230 117 P C -0.945 176.333 177.300 -0.037 0.000 1.791 117 P CA 0.042 63.126 63.100 -0.027 0.000 1.020 117 P CB -0.849 30.833 31.700 -0.030 0.000 1.977 118 F N 0.664 120.639 119.950 0.041 0.000 2.629 118 F HA -0.050 -2.549 4.527 -11.710 0.000 0.369 118 F C 1.610 177.445 175.800 0.058 0.000 1.125 118 F CA 0.860 58.893 58.000 0.055 0.000 1.330 118 F CB 0.024 39.055 39.000 0.053 0.000 1.071 118 F HN 0.105 nan 8.300 nan 0.000 0.595 119 S N 4.036 119.893 115.700 0.260 0.000 2.579 119 S HA 0.369 -2.187 4.470 -11.709 0.000 0.275 119 S C 0.217 174.932 174.600 0.192 0.000 1.345 119 S CA -0.784 57.512 58.200 0.159 0.000 1.031 119 S CB 0.610 63.873 63.200 0.104 0.000 0.892 119 S HN 0.363 nan 8.310 nan 0.000 0.529 120 R N 0.685 121.240 120.500 0.091 0.000 2.892 120 R HA 0.606 -2.080 4.340 -11.709 0.000 0.265 120 R C 0.271 176.619 176.300 0.080 0.000 1.025 120 R CA -0.685 55.476 56.100 0.101 0.000 0.982 120 R CB 1.281 31.622 30.300 0.067 0.000 1.185 120 R HN 0.820 nan 8.270 nan 0.000 0.484 121 T N -2.840 111.778 114.554 0.107 0.000 2.922 121 T HA 0.165 -2.511 4.350 -11.709 0.000 0.281 121 T C 1.140 175.871 174.700 0.052 0.000 1.005 121 T CA -0.569 61.594 62.100 0.106 0.000 0.982 121 T CB 1.434 70.381 68.868 0.131 0.000 1.158 121 T HN 0.499 nan 8.240 nan 0.000 0.566 122 E N 0.352 120.578 120.200 0.044 0.000 2.097 122 E HA -0.174 -2.850 4.350 -11.709 0.000 0.196 122 E C 1.477 178.091 176.600 0.022 0.000 1.000 122 E CA 1.803 58.218 56.400 0.025 0.000 0.804 122 E CB -0.604 29.108 29.700 0.022 0.000 0.740 122 E HN 0.690 nan 8.360 nan 0.000 0.454 123 D N -1.272 119.144 120.400 0.026 0.000 2.218 123 D HA -0.041 -2.426 4.640 -11.709 0.000 0.204 123 D C 1.234 177.546 176.300 0.019 0.000 0.976 123 D CA 1.491 55.502 54.000 0.019 0.000 0.853 123 D CB -0.167 40.644 40.800 0.017 0.000 0.939 123 D HN 0.397 nan 8.370 nan 0.000 0.481 124 G N 0.151 108.968 108.800 0.028 0.000 2.141 124 G HA2 -0.287 -3.352 3.960 -11.709 0.000 0.231 124 G HA3 -0.287 -3.352 3.960 -11.709 0.000 0.231 124 G C 0.398 175.317 174.900 0.031 0.000 0.984 124 G CA 0.185 45.303 45.100 0.029 0.000 0.660 124 G HN 0.331 nan 8.290 nan 0.000 0.525 125 K N -0.587 119.831 120.400 0.030 0.000 2.209 125 K HA 0.676 -2.029 4.320 -11.709 0.000 0.238 125 K C 0.877 177.499 176.600 0.036 0.000 1.028 125 K CA -0.928 55.368 56.287 0.015 0.000 0.935 125 K CB 0.947 33.446 32.500 -0.001 0.000 1.162 125 K HN 0.168 nan 8.250 nan 0.000 0.485 126 I N 1.701 122.261 120.570 -0.015 0.000 2.648 126 I HA -0.093 -2.949 4.170 -11.709 0.000 0.284 126 I C -0.093 176.065 176.117 0.070 0.000 1.153 126 I CA 0.045 61.335 61.300 -0.017 0.000 1.426 126 I CB 0.099 37.933 38.000 -0.276 0.000 1.381 126 I HN 0.391 nan 8.210 nan 0.000 0.571 127 Y N 6.845 127.165 120.300 0.033 0.000 2.436 127 Y HA 0.176 -2.299 4.550 -11.709 0.000 0.336 127 Y C -0.073 175.857 175.900 0.050 0.000 1.049 127 Y CA -0.177 57.953 58.100 0.050 0.000 1.294 127 Y CB 0.280 38.789 38.460 0.082 0.000 1.179 127 Y HN 0.487 nan 8.280 nan 0.000 0.520 128 Q N 5.055 124.575 119.800 -0.467 0.000 2.274 128 Q HA 0.498 -2.188 4.340 -11.709 0.000 0.260 128 Q C -0.952 174.709 176.000 -0.565 0.000 0.974 128 Q CA -1.262 54.314 55.803 -0.379 0.000 0.876 128 Q CB 2.250 30.876 28.738 -0.187 0.000 1.297 128 Q HN 0.531 nan 8.270 nan 0.000 0.446 129 R N 0.462 120.799 120.500 -0.272 0.000 2.740 129 R HA 0.616 -2.069 4.340 -11.709 0.000 0.282 129 R C -1.402 174.910 176.300 0.020 0.000 0.969 129 R CA -0.450 55.580 56.100 -0.117 0.000 0.918 129 R CB 1.631 31.953 30.300 0.036 0.000 1.175 129 R HN 0.746 nan 8.270 nan 0.000 0.464 130 A N 3.104 125.936 122.820 0.019 0.000 2.462 130 A HA 0.483 -2.223 4.320 -11.709 0.000 0.243 130 A C -0.908 176.719 177.584 0.071 0.000 1.076 130 A CA 0.381 52.325 52.037 -0.155 0.000 0.773 130 A CB -0.139 18.664 19.000 -0.329 0.000 1.010 130 A HN 0.586 nan 8.150 nan 0.000 0.493 131 F N -0.093 119.768 119.950 -0.148 0.000 2.715 131 F HA 0.560 -1.940 4.527 -11.711 0.000 0.318 131 F C 0.841 176.578 175.800 -0.105 0.000 1.141 131 F CA -0.128 57.814 58.000 -0.098 0.000 0.950 131 F CB 1.537 40.493 39.000 -0.074 0.000 1.374 131 F HN 0.754 nan 8.300 nan 0.000 0.477 132 G N 0.836 109.556 108.800 -0.133 0.000 2.307 132 G HA2 0.407 -2.659 3.960 -11.709 0.000 0.271 132 G HA3 0.407 -2.659 3.960 -11.709 0.000 0.271 132 G C 0.705 175.575 174.900 -0.050 0.000 1.191 132 G CA 0.514 45.527 45.100 -0.144 0.000 1.024 132 G HN 1.650 nan 8.290 nan 0.000 0.441 133 G N 1.622 110.359 108.800 -0.106 0.000 2.132 133 G HA2 -0.224 -3.290 3.960 -11.709 0.000 0.234 133 G HA3 -0.224 -3.290 3.960 -11.709 0.000 0.234 133 G C 0.207 175.185 174.900 0.130 0.000 0.989 133 G CA 0.242 45.283 45.100 -0.099 0.000 0.676 133 G HN 0.835 nan 8.290 nan 0.000 0.522 134 Q N 0.426 120.289 119.800 0.104 0.000 2.316 134 Q HA 0.652 -2.034 4.340 -11.709 0.000 0.264 134 Q C 0.164 176.215 176.000 0.086 0.000 0.987 134 Q CA 0.061 55.934 55.803 0.118 0.000 0.852 134 Q CB 1.943 30.730 28.738 0.081 0.000 1.287 134 Q HN 0.613 nan 8.270 nan 0.000 0.448 135 S N 2.204 117.966 115.700 0.104 0.000 2.671 135 S HA 0.769 -1.786 4.470 -11.709 0.000 0.299 135 S C -0.829 173.735 174.600 -0.060 0.000 1.116 135 S CA -0.810 57.403 58.200 0.020 0.000 0.912 135 S CB 1.066 64.281 63.200 0.025 0.000 1.130 135 S HN 0.481 nan 8.310 nan 0.000 0.501 136 L N 0.826 121.911 121.223 -0.230 0.000 2.322 136 L HA 0.596 -2.090 4.340 -11.709 0.000 0.269 136 L C -0.142 176.119 176.870 -1.015 0.000 1.012 136 L CA -1.156 53.343 54.840 -0.569 0.000 0.815 136 L CB 1.090 42.916 42.059 -0.388 0.000 1.295 136 L HN 0.932 nan 8.230 nan 0.000 0.438 137 K N 2.338 121.445 120.400 -2.154 0.000 3.451 137 K HA -0.245 -2.951 4.320 -11.709 0.000 0.273 137 K C -0.652 175.461 176.600 -0.812 0.000 0.944 137 K CA 0.432 55.792 56.287 -1.545 0.000 0.734 137 K CB -1.571 30.492 32.500 -0.728 0.000 1.437 137 K HN 0.501 nan 8.250 nan 0.000 0.454 138 F N -0.929 118.456 119.950 -0.940 0.000 3.027 138 F HA -0.274 -2.774 4.527 -11.711 0.000 0.276 138 F C 1.284 176.458 175.800 -1.044 0.000 0.967 138 F CA 1.398 58.866 58.000 -0.886 0.000 0.929 138 F CB -1.856 36.769 39.000 -0.625 0.000 0.873 138 F HN 0.653 nan 8.300 nan 0.000 0.787 139 G N -0.337 108.151 108.800 -0.519 0.000 2.149 139 G HA2 -0.291 -3.356 3.960 -11.709 0.000 0.235 139 G HA3 -0.291 -3.356 3.960 -11.709 0.000 0.235 139 G C 0.750 175.548 174.900 -0.170 0.000 1.018 139 G CA 0.291 45.255 45.100 -0.227 0.000 0.728 139 G HN 0.461 nan 8.290 nan 0.000 0.508 140 K N -0.826 119.441 120.400 -0.222 0.000 2.558 140 K HA 0.239 -2.467 4.320 -11.709 0.000 0.215 140 K C 1.538 178.037 176.600 -0.169 0.000 1.298 140 K CA 0.478 56.668 56.287 -0.160 0.000 1.008 140 K CB 1.105 33.518 32.500 -0.145 0.000 1.073 140 K HN 0.561 nan 8.250 nan 0.000 0.606 141 G N 1.264 109.922 108.800 -0.236 0.000 3.707 141 G HA2 0.432 -2.634 3.960 -11.709 0.000 0.286 141 G HA3 0.432 -2.634 3.960 -11.709 0.000 0.286 141 G C 0.651 175.470 174.900 -0.135 0.000 1.112 141 G CA 0.236 45.203 45.100 -0.222 0.000 0.861 141 G HN 0.373 nan 8.290 nan 0.000 0.534 142 G N 0.128 108.875 108.800 -0.088 0.000 2.642 142 G HA2 -0.169 -3.234 3.960 -11.709 0.000 0.231 142 G HA3 -0.169 -3.234 3.960 -11.709 0.000 0.231 142 G C -0.111 174.776 174.900 -0.023 0.000 1.338 142 G CA -0.107 44.972 45.100 -0.035 0.000 0.883 142 G HN 0.745 nan 8.290 nan 0.000 0.570 143 Q N 0.500 120.303 119.800 0.005 0.000 2.297 143 Q HA 0.620 -2.065 4.340 -11.709 0.000 0.267 143 Q C 0.402 176.378 176.000 -0.040 0.000 1.006 143 Q CA 0.894 56.670 55.803 -0.046 0.000 0.896 143 Q CB 0.757 29.439 28.738 -0.094 0.000 1.186 143 Q HN 1.655 nan 8.270 nan 0.000 0.392 144 A N 4.679 127.454 122.820 -0.075 0.000 2.274 144 A HA 0.440 -2.266 4.320 -11.709 0.000 0.309 144 A C -1.253 176.262 177.584 -0.115 0.000 1.226 144 A CA -0.578 51.464 52.037 0.009 0.000 0.853 144 A CB 0.216 19.249 19.000 0.056 0.000 1.146 144 A HN 0.890 nan 8.150 nan 0.000 0.518 145 H N 1.607 120.678 119.070 0.002 0.000 2.746 145 H HA 0.450 -2.020 4.556 -11.709 0.000 0.269 145 H C 0.851 176.136 175.328 -0.071 0.000 1.248 145 H CA -0.184 55.842 56.048 -0.037 0.000 1.258 145 H CB 0.460 30.187 29.762 -0.058 0.000 1.441 145 H HN 0.740 nan 8.280 nan 0.000 0.508 146 R N 0.410 120.898 120.500 -0.020 0.000 2.538 146 R HA 0.219 -2.467 4.340 -11.709 0.000 0.372 146 R C -0.509 175.709 176.300 -0.137 0.000 0.950 146 R CA -0.271 55.780 56.100 -0.083 0.000 1.168 146 R CB -0.402 29.838 30.300 -0.100 0.000 1.542 146 R HN 0.376 nan 8.270 nan 0.000 0.536 147 C N 3.163 122.390 119.300 -0.121 0.000 2.383 147 C HA 0.447 -2.119 4.460 -11.709 0.000 0.350 147 C C 0.669 175.604 174.990 -0.093 0.000 1.173 147 C CA -0.709 58.219 59.018 -0.151 0.000 1.645 147 C CB -1.500 26.131 27.740 -0.181 0.000 2.221 147 C HN 0.673 nan 8.230 nan 0.000 0.528 148 C N 5.981 125.240 119.300 -0.069 0.000 2.632 148 C HA 0.535 -2.030 4.460 -11.709 0.000 0.415 148 C C 0.808 175.941 174.990 0.237 0.000 1.332 148 C CA -0.572 58.455 59.018 0.015 0.000 1.874 148 C CB -2.206 25.456 27.740 -0.130 0.000 2.596 148 C HN 1.015 nan 8.230 nan 0.000 0.590 149 C N 1.312 120.840 119.300 0.380 0.000 3.170 149 C HA 0.742 -1.824 4.460 -11.709 0.000 0.319 149 C C -0.779 174.405 174.990 0.324 0.000 1.260 149 C CA -0.704 58.515 59.018 0.334 0.000 1.374 149 C CB 0.304 28.181 27.740 0.229 0.000 1.739 149 C HN 0.621 nan 8.230 nan 0.000 0.479 150 V N 3.617 123.592 119.914 0.102 0.000 2.247 150 V HA 0.623 -2.283 4.120 -11.709 0.000 0.262 150 V C 1.285 177.415 176.094 0.060 0.000 1.096 150 V CA 1.181 63.490 62.300 0.015 0.000 0.895 150 V CB -0.432 31.302 31.823 -0.149 0.000 1.141 150 V HN 2.116 nan 8.190 nan 0.000 0.478 151 A N 4.222 127.096 122.820 0.091 0.000 5.395 151 A HA -0.377 -3.083 4.320 -11.709 0.000 0.332 151 A C 1.543 179.180 177.584 0.088 0.000 1.754 151 A CA 1.987 54.067 52.037 0.072 0.000 0.716 151 A CB -1.501 17.516 19.000 0.029 0.000 1.411 151 A HN 0.767 nan 8.150 nan 0.000 0.398 152 D N -0.546 119.890 120.400 0.060 0.000 2.348 152 D HA 0.119 -2.267 4.640 -11.709 0.000 0.211 152 D C 1.128 177.462 176.300 0.057 0.000 0.998 152 D CA 0.741 54.780 54.000 0.064 0.000 0.873 152 D CB -0.042 40.784 40.800 0.042 0.000 0.925 152 D HN 0.436 nan 8.370 nan 0.000 0.524 153 R N -0.235 120.295 120.500 0.049 0.000 3.194 153 R HA 0.255 -2.431 4.340 -11.709 0.000 0.306 153 R C 0.674 177.021 176.300 0.079 0.000 1.347 153 R CA -0.046 56.090 56.100 0.061 0.000 1.540 153 R CB 0.752 31.069 30.300 0.028 0.000 1.352 153 R HN -0.019 nan 8.270 nan 0.000 0.621 154 T N -1.018 113.569 114.554 0.054 0.000 2.770 154 T HA -0.086 -2.762 4.350 -11.709 0.000 0.263 154 T C 2.022 176.732 174.700 0.017 0.000 1.039 154 T CA 1.449 63.554 62.100 0.009 0.000 1.142 154 T CB -0.025 68.861 68.868 0.030 0.000 0.868 154 T HN 0.606 nan 8.240 nan 0.000 0.435 155 G N 1.058 109.889 108.800 0.051 0.000 2.450 155 G HA2 -0.305 -3.371 3.960 -11.709 0.000 0.220 155 G HA3 -0.305 -3.371 3.960 -11.709 0.000 0.220 155 G C 1.353 176.309 174.900 0.094 0.000 1.130 155 G CA 0.989 46.122 45.100 0.055 0.000 0.760 155 G HN 0.640 nan 8.290 nan 0.000 0.557 156 H N 0.395 119.484 119.070 0.031 0.000 2.270 156 H HA -0.061 -2.531 4.556 -11.710 0.000 0.299 156 H C 2.643 178.044 175.328 0.121 0.000 1.077 156 H CA 1.694 57.796 56.048 0.091 0.000 1.294 156 H CB -0.257 29.524 29.762 0.031 0.000 1.371 156 H HN 0.327 nan 8.280 nan 0.000 0.491 157 S N 0.256 115.894 115.700 -0.103 0.000 2.382 157 S HA -0.112 -2.667 4.470 -11.709 0.000 0.228 157 S C 2.320 176.853 174.600 -0.112 0.000 1.027 157 S CA 0.988 59.073 58.200 -0.191 0.000 0.991 157 S CB -0.372 62.733 63.200 -0.159 0.000 0.823 157 S HN 0.395 nan 8.310 nan 0.000 0.469 158 L N 0.950 122.131 121.223 -0.069 0.000 2.012 158 L HA -0.075 -2.761 4.340 -11.709 0.000 0.210 158 L C 2.178 179.067 176.870 0.032 0.000 1.073 158 L CA 1.503 56.335 54.840 -0.013 0.000 0.748 158 L CB -0.394 41.679 42.059 0.024 0.000 0.891 158 L HN 0.342 nan 8.230 nan 0.000 0.431 159 L N -1.217 120.023 121.223 0.029 0.000 2.056 159 L HA -0.222 -2.908 4.340 -11.709 0.000 0.207 159 L C 2.528 179.387 176.870 -0.018 0.000 1.078 159 L CA 1.782 56.631 54.840 0.015 0.000 0.749 159 L CB -0.874 41.182 42.059 -0.004 0.000 0.901 159 L HN 0.364 nan 8.230 nan 0.000 0.433 160 H N -0.977 118.037 119.070 -0.093 0.000 2.357 160 H HA -0.097 -2.567 4.556 -11.710 0.000 0.301 160 H C 2.026 177.333 175.328 -0.034 0.000 1.082 160 H CA 2.079 58.082 56.048 -0.075 0.000 1.342 160 H CB -0.122 29.499 29.762 -0.236 0.000 1.389 160 H HN 0.518 nan 8.280 nan 0.000 0.511 161 T N -0.251 114.329 114.554 0.043 0.000 2.812 161 T HA -0.072 -2.748 4.350 -11.709 0.000 0.264 161 T C 2.387 177.032 174.700 -0.091 0.000 1.042 161 T CA 0.576 62.668 62.100 -0.013 0.000 1.140 161 T CB -0.681 68.196 68.868 0.015 0.000 0.870 161 T HN 0.127 nan 8.240 nan 0.000 0.445 162 L N -0.400 120.805 121.223 -0.030 0.000 1.989 162 L HA -0.087 -2.772 4.340 -11.709 0.000 0.211 162 L C 2.625 179.383 176.870 -0.186 0.000 1.071 162 L CA 2.020 56.805 54.840 -0.091 0.000 0.749 162 L CB -0.746 41.388 42.059 0.125 0.000 0.890 162 L HN 0.206 nan 8.230 nan 0.000 0.431 163 Y N 0.952 121.144 120.300 -0.180 0.000 2.081 163 Y HA -0.260 -2.736 4.550 -11.710 0.000 0.280 163 Y C 2.343 178.085 175.900 -0.264 0.000 1.163 163 Y CA 1.641 59.605 58.100 -0.226 0.000 1.135 163 Y CB -0.974 37.318 38.460 -0.281 0.000 0.970 163 Y HN 0.106 nan 8.280 nan 0.000 0.498 164 G N 0.460 109.084 108.800 -0.293 0.000 2.513 164 G HA2 -0.328 -3.394 3.960 -11.709 0.000 0.219 164 G HA3 -0.328 -3.394 3.960 -11.709 0.000 0.219 164 G C 1.903 176.511 174.900 -0.486 0.000 1.160 164 G CA 1.055 45.944 45.100 -0.351 0.000 0.767 164 G HN 0.303 nan 8.290 nan 0.000 0.571 165 R N 0.714 120.877 120.500 -0.561 0.000 2.148 165 R HA -0.045 -2.731 4.340 -11.709 0.000 0.223 165 R C 3.001 178.748 176.300 -0.922 0.000 1.088 165 R CA 1.439 57.068 56.100 -0.785 0.000 0.985 165 R CB -0.445 29.195 30.300 -1.101 0.000 0.880 165 R HN 0.548 nan 8.270 nan 0.000 0.451 166 S N 0.044 115.263 115.700 -0.801 0.000 2.453 166 S HA -0.042 -2.597 4.470 -11.709 0.000 0.231 166 S C 1.902 176.288 174.600 -0.358 0.000 1.005 166 S CA 0.385 58.289 58.200 -0.494 0.000 0.949 166 S CB -0.094 63.026 63.200 -0.133 0.000 0.774 166 S HN 0.105 nan 8.310 nan 0.000 0.510 167 L N 1.738 122.657 121.223 -0.507 0.000 2.275 167 L HA 0.160 -2.526 4.340 -11.709 0.000 0.215 167 L C 2.692 179.394 176.870 -0.279 0.000 1.119 167 L CA 1.319 55.930 54.840 -0.382 0.000 0.790 167 L CB -1.484 40.321 42.059 -0.424 0.000 0.919 167 L HN 0.446 nan 8.230 nan 0.000 0.443 168 R N -1.374 118.871 120.500 -0.426 0.000 2.189 168 R HA -0.101 -2.787 4.340 -11.709 0.000 0.223 168 R C 0.097 176.252 176.300 -0.241 0.000 1.092 168 R CA 0.614 56.461 56.100 -0.422 0.000 0.989 168 R CB 0.159 30.041 30.300 -0.697 0.000 0.876 168 R HN 0.239 nan 8.270 nan 0.000 0.457 169 Y N -0.440 119.845 120.300 -0.025 0.000 2.534 169 Y HA 0.094 -2.382 4.550 -11.710 0.000 0.329 169 Y C 0.455 176.389 175.900 0.056 0.000 1.154 169 Y CA -1.437 56.684 58.100 0.035 0.000 1.192 169 Y CB 0.949 39.459 38.460 0.085 0.000 1.275 169 Y HN 0.090 nan 8.280 nan 0.000 0.491 170 D N -0.175 120.371 120.400 0.244 0.000 2.856 170 D HA -0.001 -2.387 4.640 -11.709 0.000 0.242 170 D C -0.407 175.994 176.300 0.168 0.000 1.226 170 D CA -0.244 53.856 54.000 0.167 0.000 0.855 170 D CB -1.002 39.873 40.800 0.125 0.000 1.065 170 D HN 0.312 nan 8.370 nan 0.000 0.462 171 T N 0.142 114.810 114.554 0.189 0.000 2.853 171 T HA 0.092 -2.584 4.350 -11.709 0.000 0.298 171 T C 0.416 175.147 174.700 0.051 0.000 0.978 171 T CA -0.209 61.938 62.100 0.077 0.000 1.152 171 T CB 0.802 69.682 68.868 0.021 0.000 0.914 171 T HN 0.039 nan 8.240 nan 0.000 0.539 172 S N 3.028 118.711 115.700 -0.029 0.000 2.485 172 S HA 0.217 -2.338 4.470 -11.709 0.000 0.312 172 S C -0.444 174.047 174.600 -0.182 0.000 1.102 172 S CA -0.527 57.658 58.200 -0.026 0.000 1.066 172 S CB -0.430 62.858 63.200 0.147 0.000 1.102 172 S HN 0.503 nan 8.310 nan 0.000 0.519 173 Y N 2.588 122.801 120.300 -0.145 0.000 2.486 173 Y HA 0.234 -2.242 4.550 -11.710 0.000 0.348 173 Y C 0.037 175.746 175.900 -0.319 0.000 1.000 173 Y CA -0.568 57.451 58.100 -0.135 0.000 1.253 173 Y CB 0.089 38.508 38.460 -0.068 0.000 1.140 173 Y HN 0.516 nan 8.280 nan 0.000 0.526 174 F N 3.507 123.289 119.950 -0.281 0.000 2.541 174 F HA 0.251 -2.248 4.527 -11.709 0.000 0.351 174 F C -0.061 175.571 175.800 -0.280 0.000 1.209 174 F CA -0.775 56.864 58.000 -0.602 0.000 1.277 174 F CB -0.223 38.214 39.000 -0.938 0.000 1.632 174 F HN 0.104 nan 8.300 nan 0.000 0.619 175 V N 1.736 121.679 119.914 0.049 0.000 2.583 175 V HA 0.091 -2.814 4.120 -11.709 0.000 0.287 175 V C 0.539 176.841 176.094 0.347 0.000 1.051 175 V CA -1.032 61.393 62.300 0.208 0.000 1.010 175 V CB 0.690 32.640 31.823 0.212 0.000 0.988 175 V HN 0.710 nan 8.190 nan 0.000 0.478 176 E N 2.020 122.394 120.200 0.289 0.000 2.252 176 E HA -0.238 -2.913 4.350 -11.709 0.000 0.218 176 E C -1.258 175.484 176.600 0.236 0.000 1.253 176 E CA 0.462 56.995 56.400 0.221 0.000 0.705 176 E CB -1.060 28.762 29.700 0.203 0.000 1.172 176 E HN 0.638 nan 8.360 nan 0.000 0.369 177 Y N 0.019 120.348 120.300 0.050 0.000 2.328 177 Y HA 0.361 -2.115 4.550 -11.710 0.000 0.333 177 Y C -0.061 175.876 175.900 0.061 0.000 0.958 177 Y CA -1.356 56.772 58.100 0.046 0.000 1.167 177 Y CB 0.798 39.293 38.460 0.057 0.000 1.151 177 Y HN 0.168 nan 8.280 nan 0.000 0.470 178 F N 3.852 123.806 119.950 0.006 0.000 2.438 178 F HA 0.603 -1.896 4.527 -11.710 0.000 0.360 178 F C 0.519 176.319 175.800 0.001 0.000 1.118 178 F CA -0.900 57.089 58.000 -0.018 0.000 1.164 178 F CB 0.171 39.124 39.000 -0.078 0.000 1.131 178 F HN 0.595 nan 8.300 nan 0.000 0.527 179 A N 7.183 129.744 122.820 -0.431 0.000 2.477 179 A HA 0.322 -2.383 4.320 -11.709 0.000 0.246 179 A C 0.514 177.837 177.584 -0.435 0.000 1.078 179 A CA -0.261 51.575 52.037 -0.334 0.000 0.770 179 A CB 0.255 19.071 19.000 -0.307 0.000 1.011 179 A HN 1.024 nan 8.150 nan 0.000 0.494 180 L N 1.021 122.152 121.223 -0.153 0.000 2.276 180 L HA 0.234 -2.452 4.340 -11.709 0.000 0.194 180 L C 0.507 177.332 176.870 -0.074 0.000 1.099 180 L CA 0.480 55.289 54.840 -0.052 0.000 0.800 180 L CB -0.143 41.926 42.059 0.017 0.000 0.994 180 L HN 0.615 nan 8.230 nan 0.000 0.475 181 D N -1.359 119.000 120.400 -0.068 0.000 2.732 181 D HA 0.504 -1.881 4.640 -11.709 0.000 0.292 181 D C -1.114 175.146 176.300 -0.068 0.000 1.135 181 D CA -0.463 53.499 54.000 -0.062 0.000 1.071 181 D CB 2.571 43.347 40.800 -0.039 0.000 1.457 181 D HN -0.221 nan 8.370 nan 0.000 0.547 182 L N 0.639 121.827 121.223 -0.058 0.000 2.343 182 L HA 0.375 -2.310 4.340 -11.709 0.000 0.275 182 L C -0.182 176.665 176.870 -0.039 0.000 1.056 182 L CA -0.471 54.337 54.840 -0.054 0.000 0.804 182 L CB 0.963 42.990 42.059 -0.054 0.000 1.203 182 L HN 0.145 nan 8.230 nan 0.000 0.440 183 L N 3.671 124.874 121.223 -0.034 0.000 2.283 183 L HA 0.364 -2.322 4.340 -11.709 0.000 0.287 183 L C -0.310 176.547 176.870 -0.023 0.000 1.073 183 L CA 0.257 55.083 54.840 -0.023 0.000 0.822 183 L CB 0.688 42.739 42.059 -0.015 0.000 1.186 183 L HN 0.550 nan 8.230 nan 0.000 0.436 184 M N 4.087 123.674 119.600 -0.022 0.000 2.326 184 M HA 0.390 -2.156 4.480 -11.709 0.000 0.306 184 M C -0.977 175.312 176.300 -0.019 0.000 1.054 184 M CA -0.165 55.122 55.300 -0.023 0.000 0.922 184 M CB 1.901 34.486 32.600 -0.026 0.000 1.632 184 M HN 0.394 nan 8.290 nan 0.000 0.436 185 E N 3.272 123.462 120.200 -0.018 0.000 2.265 185 E HA 0.370 -2.305 4.350 -11.709 0.000 0.262 185 E C -0.867 175.722 176.600 -0.017 0.000 0.889 185 E CA -0.307 56.083 56.400 -0.016 0.000 0.789 185 E CB 0.722 30.415 29.700 -0.012 0.000 1.221 185 E HN 0.780 nan 8.360 nan 0.000 0.414 186 N N 3.309 121.998 118.700 -0.018 0.000 2.714 186 N HA -0.233 -2.519 4.740 -11.709 0.000 0.253 186 N C 0.619 176.116 175.510 -0.022 0.000 1.024 186 N CA 1.458 54.497 53.050 -0.019 0.000 0.726 186 N CB -1.365 37.112 38.487 -0.017 0.000 0.908 186 N HN 1.007 nan 8.380 nan 0.000 0.542 187 G N -1.145 107.641 108.800 -0.023 0.000 2.220 187 G HA2 -0.350 -3.416 3.960 -11.709 0.000 0.269 187 G HA3 -0.350 -3.416 3.960 -11.709 0.000 0.269 187 G C -0.098 174.781 174.900 -0.035 0.000 0.977 187 G CA 0.978 46.062 45.100 -0.027 0.000 0.634 187 G HN 0.617 nan 8.290 nan 0.000 0.539 188 E N -0.511 119.670 120.200 -0.032 0.000 2.214 188 E HA 0.516 -2.160 4.350 -11.709 0.000 0.274 188 E C -0.149 176.431 176.600 -0.033 0.000 0.977 188 E CA -0.604 55.774 56.400 -0.036 0.000 0.827 188 E CB 2.083 31.766 29.700 -0.028 0.000 1.130 188 E HN 0.257 nan 8.360 nan 0.000 0.394 189 C N 2.584 121.861 119.300 -0.039 0.000 2.369 189 C HA 0.325 -2.241 4.460 -11.709 0.000 0.358 189 C C 1.094 176.074 174.990 -0.016 0.000 1.274 189 C CA -0.349 58.650 59.018 -0.033 0.000 1.935 189 C CB -0.364 27.349 27.740 -0.045 0.000 2.431 189 C HN 0.750 nan 8.230 nan 0.000 0.545 190 R N 3.148 123.641 120.500 -0.011 0.000 2.344 190 R HA 0.356 -2.330 4.340 -11.709 0.000 0.209 190 R C 0.897 177.201 176.300 0.007 0.000 0.886 190 R CA 0.826 56.927 56.100 0.002 0.000 1.040 190 R CB 0.473 30.774 30.300 0.002 0.000 1.114 190 R HN 1.041 nan 8.270 nan 0.000 0.547 191 G N 0.097 108.892 108.800 -0.009 0.000 2.491 191 G HA2 0.149 -2.916 3.960 -11.709 0.000 0.183 191 G HA3 0.149 -2.916 3.960 -11.709 0.000 0.183 191 G C -1.644 173.231 174.900 -0.042 0.000 1.221 191 G CA -0.135 44.954 45.100 -0.020 0.000 0.996 191 G HN 0.038 nan 8.290 nan 0.000 0.474 192 V N -1.398 118.485 119.914 -0.053 0.000 2.841 192 V HA 0.807 -2.099 4.120 -11.709 0.000 0.310 192 V C -0.421 175.651 176.094 -0.038 0.000 1.090 192 V CA -0.869 61.392 62.300 -0.064 0.000 0.930 192 V CB 1.781 33.541 31.823 -0.105 0.000 1.014 192 V HN 1.182 nan 8.190 nan 0.000 0.425 193 I N 3.352 123.905 120.570 -0.029 0.000 2.321 193 I HA 0.833 -2.023 4.170 -11.709 0.000 0.291 193 I C 0.243 176.363 176.117 0.006 0.000 0.998 193 I CA -0.244 61.055 61.300 -0.000 0.000 1.227 193 I CB 0.871 38.866 38.000 -0.010 0.000 1.368 193 I HN 1.083 nan 8.210 nan 0.000 0.466 194 A N 7.361 130.221 122.820 0.066 0.000 2.386 194 A HA 0.634 -2.071 4.320 -11.709 0.000 0.311 194 A C -1.360 176.311 177.584 0.145 0.000 1.068 194 A CA -0.658 51.434 52.037 0.092 0.000 0.743 194 A CB 1.501 20.570 19.000 0.115 0.000 1.258 194 A HN 0.738 nan 8.150 nan 0.000 0.429 195 L N 2.671 123.960 121.223 0.111 0.000 2.290 195 L HA 0.540 -2.145 4.340 -11.709 0.000 0.284 195 L C 0.004 176.827 176.870 -0.078 0.000 1.078 195 L CA -0.330 54.544 54.840 0.057 0.000 0.815 195 L CB 0.863 42.953 42.059 0.051 0.000 1.162 195 L HN 0.748 nan 8.230 nan 0.000 0.435 196 C N 6.731 125.872 119.300 -0.266 0.000 2.322 196 C HA 0.316 -2.250 4.460 -11.709 0.000 0.343 196 C C 1.800 176.537 174.990 -0.422 0.000 1.190 196 C CA -0.615 57.914 59.018 -0.814 0.000 1.704 196 C CB -1.576 25.530 27.740 -1.057 0.000 2.293 196 C HN 0.993 nan 8.230 nan 0.000 0.523 197 I N 3.335 123.658 120.570 -0.411 0.000 2.208 197 I HA -0.157 -3.013 4.170 -11.709 0.000 0.245 197 I C 2.626 178.501 176.117 -0.403 0.000 1.097 197 I CA 1.434 62.448 61.300 -0.477 0.000 1.363 197 I CB -0.434 37.096 38.000 -0.784 0.000 1.051 197 I HN 0.784 nan 8.210 nan 0.000 0.413 198 E N 0.963 121.026 120.200 -0.229 0.000 2.049 198 E HA -0.291 -2.966 4.350 -11.709 0.000 0.198 198 E C 1.126 177.775 176.600 0.082 0.000 1.007 198 E CA 1.976 58.409 56.400 0.055 0.000 0.809 198 E CB -0.031 29.739 29.700 0.117 0.000 0.749 198 E HN 0.639 nan 8.360 nan 0.000 0.450 199 D N -2.797 117.614 120.400 0.019 0.000 2.503 199 D HA 0.082 -2.304 4.640 -11.709 0.000 0.218 199 D C 1.071 177.397 176.300 0.044 0.000 1.183 199 D CA 0.738 54.773 54.000 0.058 0.000 0.827 199 D CB 0.803 41.655 40.800 0.087 0.000 1.034 199 D HN 0.307 nan 8.370 nan 0.000 0.510 200 G N 1.209 110.011 108.800 0.004 0.000 2.184 200 G HA2 -0.332 -3.398 3.960 -11.709 0.000 0.264 200 G HA3 -0.332 -3.398 3.960 -11.709 0.000 0.264 200 G C 0.524 175.484 174.900 0.100 0.000 0.975 200 G CA 0.637 45.755 45.100 0.031 0.000 0.642 200 G HN 0.781 nan 8.290 nan 0.000 0.536 201 S N -0.761 115.005 115.700 0.109 0.000 2.617 201 S HA 0.695 -1.860 4.470 -11.709 0.000 0.259 201 S C 0.122 174.838 174.600 0.194 0.000 1.301 201 S CA -0.181 58.118 58.200 0.166 0.000 0.984 201 S CB 1.902 65.237 63.200 0.224 0.000 0.954 201 S HN 0.682 nan 8.310 nan 0.000 0.572 202 I N 1.144 121.778 120.570 0.106 0.000 2.466 202 I HA 0.345 -2.511 4.170 -11.709 0.000 0.289 202 I C -0.694 175.410 176.117 -0.023 0.000 1.026 202 I CA -0.340 61.021 61.300 0.101 0.000 1.078 202 I CB 1.608 39.618 38.000 0.016 0.000 1.249 202 I HN 0.700 nan 8.210 nan 0.000 0.429 203 H N 6.438 125.600 119.070 0.152 0.000 2.860 203 H HA 0.372 -2.098 4.556 -11.710 0.000 0.312 203 H C -0.660 174.761 175.328 0.154 0.000 0.995 203 H CA -0.859 55.333 56.048 0.240 0.000 1.311 203 H CB 1.449 31.513 29.762 0.504 0.000 1.478 203 H HN 0.342 nan 8.280 nan 0.000 0.508 204 R N 3.396 123.988 120.500 0.153 0.000 2.429 204 R HA 0.221 -2.465 4.340 -11.709 0.000 0.302 204 R C -0.069 176.314 176.300 0.139 0.000 1.268 204 R CA -0.207 55.949 56.100 0.092 0.000 1.090 204 R CB -0.131 30.187 30.300 0.030 0.000 1.102 204 R HN 0.428 nan 8.270 nan 0.000 0.522 205 I N 4.532 125.168 120.570 0.110 0.000 2.337 205 I HA 0.178 -2.678 4.170 -11.709 0.000 0.291 205 I C 0.429 176.578 176.117 0.054 0.000 1.046 205 I CA -0.166 61.182 61.300 0.079 0.000 1.324 205 I CB 0.589 38.440 38.000 -0.248 0.000 1.409 205 I HN 0.416 nan 8.210 nan 0.000 0.494 206 R N 5.787 126.363 120.500 0.126 0.000 2.534 206 R HA 0.954 -1.731 4.340 -11.709 0.000 0.301 206 R C -1.202 175.176 176.300 0.130 0.000 0.961 206 R CA -0.786 55.367 56.100 0.089 0.000 0.871 206 R CB 1.990 32.328 30.300 0.064 0.000 1.170 206 R HN 0.572 nan 8.270 nan 0.000 0.446 207 A N 1.978 124.853 122.820 0.092 0.000 2.583 207 A HA 0.445 -2.261 4.320 -11.709 0.000 0.289 207 A C 0.119 177.750 177.584 0.079 0.000 1.151 207 A CA -1.001 51.104 52.037 0.113 0.000 0.695 207 A CB 1.708 20.788 19.000 0.132 0.000 1.290 207 A HN 0.880 nan 8.150 nan 0.000 0.419 208 R N -0.320 120.236 120.500 0.094 0.000 2.115 208 R HA -0.006 -2.692 4.340 -11.709 0.000 0.230 208 R C -0.454 175.893 176.300 0.079 0.000 1.111 208 R CA 1.171 57.321 56.100 0.082 0.000 0.976 208 R CB 0.030 30.393 30.300 0.104 0.000 0.870 208 R HN 0.713 nan 8.270 nan 0.000 0.445 209 N N -0.366 118.384 118.700 0.084 0.000 2.260 209 N HA 0.182 -2.103 4.740 -11.709 0.000 0.293 209 N C -1.641 173.909 175.510 0.065 0.000 1.058 209 N CA -0.325 52.785 53.050 0.100 0.000 0.824 209 N CB 2.532 41.084 38.487 0.109 0.000 1.551 209 N HN -0.128 nan 8.380 nan 0.000 0.475 210 T N 0.592 115.199 114.554 0.089 0.000 2.864 210 T HA 0.305 -2.370 4.350 -11.709 0.000 0.299 210 T C -0.073 174.668 174.700 0.070 0.000 1.011 210 T CA -0.463 61.655 62.100 0.030 0.000 0.975 210 T CB 1.310 70.173 68.868 -0.009 0.000 0.962 210 T HN 0.071 nan 8.240 nan 0.000 0.448 211 V N 4.067 123.994 119.914 0.022 0.000 2.383 211 V HA 0.334 -2.571 4.120 -11.709 0.000 0.275 211 V C 0.254 176.340 176.094 -0.014 0.000 1.036 211 V CA -0.723 61.596 62.300 0.031 0.000 0.889 211 V CB 1.371 33.172 31.823 -0.037 0.000 0.985 211 V HN 0.688 nan 8.190 nan 0.000 0.459 212 V N 4.574 124.486 119.914 -0.003 0.000 2.383 212 V HA 0.648 -2.258 4.120 -11.709 0.000 0.275 212 V C 0.629 176.714 176.094 -0.016 0.000 1.036 212 V CA 0.037 62.319 62.300 -0.031 0.000 0.889 212 V CB 1.252 33.051 31.823 -0.041 0.000 0.985 212 V HN 1.000 nan 8.190 nan 0.000 0.459 213 A N 2.839 125.646 122.820 -0.022 0.000 3.365 213 A HA 0.411 -2.295 4.320 -11.709 0.000 0.258 213 A C 1.049 178.633 177.584 -0.001 0.000 0.964 213 A CA 0.324 52.360 52.037 -0.000 0.000 0.988 213 A CB 0.345 19.352 19.000 0.010 0.000 1.193 213 A HN 0.845 nan 8.150 nan 0.000 0.508 214 T N -2.753 111.793 114.554 -0.013 0.000 3.081 214 T HA 0.434 -2.241 4.350 -11.709 0.000 0.255 214 T C 1.250 175.953 174.700 0.006 0.000 1.113 214 T CA 1.178 63.269 62.100 -0.015 0.000 1.082 214 T CB -0.288 68.556 68.868 -0.040 0.000 0.939 214 T HN 2.176 nan 8.240 nan 0.000 0.506 215 G N 0.253 109.060 108.800 0.010 0.000 2.796 215 G HA2 0.194 -2.871 3.960 -11.709 0.000 0.226 215 G HA3 0.194 -2.871 3.960 -11.709 0.000 0.226 215 G C 0.249 175.140 174.900 -0.015 0.000 1.381 215 G CA -0.506 44.593 45.100 -0.001 0.000 0.867 215 G HN 0.896 nan 8.290 nan 0.000 0.552 216 G N -1.530 107.219 108.800 -0.084 0.000 2.525 216 G HA2 0.629 -2.436 3.960 -11.709 0.000 0.276 216 G HA3 0.629 -2.437 3.960 -11.709 0.000 0.276 216 G C 0.225 175.128 174.900 0.005 0.000 1.388 216 G CA 0.548 45.571 45.100 -0.128 0.000 1.050 216 G HN 2.051 nan 8.290 nan 0.000 0.520 217 Y N -2.986 117.252 120.300 -0.103 0.000 2.685 217 Y HA 0.505 -1.974 4.550 -11.714 0.000 0.284 217 Y C 1.351 177.240 175.900 -0.017 0.000 0.944 217 Y CA -0.476 57.593 58.100 -0.052 0.000 1.107 217 Y CB 0.004 38.446 38.460 -0.030 0.000 1.188 217 Y HN 0.505 nan 8.280 nan 0.000 0.635 218 G N 1.277 109.988 108.800 -0.147 0.000 2.432 218 G HA2 -0.178 -3.244 3.960 -11.709 0.000 0.219 218 G HA3 -0.178 -3.244 3.960 -11.709 0.000 0.219 218 G C 1.555 176.493 174.900 0.064 0.000 1.135 218 G CA 0.223 45.273 45.100 -0.082 0.000 0.767 218 G HN 0.268 nan 8.290 nan 0.000 0.550 219 R N 0.930 121.454 120.500 0.041 0.000 2.395 219 R HA -0.029 -2.715 4.340 -11.709 0.000 0.202 219 R C 2.267 178.627 176.300 0.101 0.000 1.088 219 R CA 1.189 57.332 56.100 0.070 0.000 1.090 219 R CB -0.947 29.390 30.300 0.061 0.000 0.876 219 R HN 0.585 nan 8.270 nan 0.000 0.477 220 T N -3.597 111.028 114.554 0.119 0.000 3.067 220 T HA 0.038 -2.638 4.350 -11.709 0.000 0.261 220 T C 0.707 175.349 174.700 -0.098 0.000 1.110 220 T CA 0.414 62.525 62.100 0.019 0.000 1.113 220 T CB -0.053 68.823 68.868 0.013 0.000 0.917 220 T HN 0.031 nan 8.240 nan 0.000 0.499 221 Y N -0.416 119.944 120.300 0.101 0.000 2.453 221 Y HA 0.501 -1.977 4.550 -11.714 0.000 0.326 221 Y C 0.870 176.867 175.900 0.162 0.000 1.186 221 Y CA -1.943 56.238 58.100 0.134 0.000 1.200 221 Y CB 0.919 39.434 38.460 0.091 0.000 1.247 221 Y HN -0.051 nan 8.280 nan 0.000 0.482 222 F N 0.385 120.482 119.950 0.244 0.000 2.259 222 F HA 0.025 -2.474 4.527 -11.711 0.000 0.298 222 F C 0.967 176.839 175.800 0.119 0.000 1.088 222 F CA 0.968 59.058 58.000 0.149 0.000 1.358 222 F CB 0.206 39.285 39.000 0.132 0.000 1.040 222 F HN 0.261 nan 8.300 nan 0.000 0.505 223 S N 1.170 116.905 115.700 0.059 0.000 2.653 223 S HA 0.542 -2.014 4.470 -11.709 0.000 0.272 223 S C -0.770 173.817 174.600 -0.021 0.000 1.221 223 S CA -0.595 57.554 58.200 -0.085 0.000 1.149 223 S CB -0.365 62.849 63.200 0.022 0.000 1.029 223 S HN 0.429 nan 8.310 nan 0.000 0.481 224 C N 2.535 121.785 119.300 -0.083 0.000 2.898 224 C HA 0.769 -1.797 4.460 -11.709 0.000 0.304 224 C C 1.768 176.694 174.990 -0.107 0.000 1.237 224 C CA 0.030 58.999 59.018 -0.081 0.000 1.529 224 C CB 0.690 28.386 27.740 -0.073 0.000 2.021 224 C HN 0.765 nan 8.230 nan 0.000 0.474 225 T N -0.085 114.430 114.554 -0.066 0.000 2.951 225 T HA 0.066 -2.609 4.350 -11.709 0.000 0.268 225 T C 0.781 175.446 174.700 -0.058 0.000 1.073 225 T CA 1.107 63.182 62.100 -0.043 0.000 1.134 225 T CB -0.711 68.210 68.868 0.089 0.000 0.884 225 T HN 1.047 nan 8.240 nan 0.000 0.479 226 S N 1.886 117.498 115.700 -0.147 0.000 2.584 226 S HA 0.632 -1.923 4.470 -11.709 0.000 0.270 226 S C 0.569 174.951 174.600 -0.363 0.000 1.346 226 S CA -0.712 57.267 58.200 -0.368 0.000 1.018 226 S CB 0.591 63.492 63.200 -0.498 0.000 0.899 226 S HN 0.717 nan 8.310 nan 0.000 0.542 227 A N 1.081 123.602 122.820 -0.499 0.000 2.386 227 A HA 0.196 -2.510 4.320 -11.709 0.000 0.246 227 A C 1.185 178.639 177.584 -0.217 0.000 1.089 227 A CA -0.301 51.588 52.037 -0.247 0.000 0.790 227 A CB -0.338 18.638 19.000 -0.040 0.000 1.042 227 A HN 0.977 nan 8.150 nan 0.000 0.497 228 H N 0.479 119.534 119.070 -0.026 0.000 2.518 228 H HA -0.085 -2.555 4.556 -11.710 0.000 0.289 228 H C 1.664 176.993 175.328 0.002 0.000 1.051 228 H CA 1.976 58.019 56.048 -0.009 0.000 1.280 228 H CB -0.321 29.451 29.762 0.017 0.000 1.380 228 H HN 0.769 nan 8.280 nan 0.000 0.566 229 T N -2.455 112.156 114.554 0.096 0.000 3.145 229 T HA 0.153 -2.522 4.350 -11.709 0.000 0.255 229 T C 0.734 175.456 174.700 0.037 0.000 1.039 229 T CA -0.331 61.822 62.100 0.087 0.000 0.928 229 T CB 0.082 69.018 68.868 0.112 0.000 1.029 229 T HN -0.073 nan 8.240 nan 0.000 0.554 230 S N 3.244 118.921 115.700 -0.039 0.000 2.955 230 S HA 0.325 -2.231 4.470 -11.709 0.000 0.294 230 S C 0.895 175.505 174.600 0.017 0.000 1.198 230 S CA -0.619 57.540 58.200 -0.069 0.000 1.008 230 S CB -0.029 63.035 63.200 -0.228 0.000 1.279 230 S HN 0.692 nan 8.310 nan 0.000 0.508 231 T N -1.574 113.022 114.554 0.071 0.000 3.339 231 T HA 0.372 -2.304 4.350 -11.709 0.000 0.292 231 T C 1.094 175.861 174.700 0.112 0.000 1.012 231 T CA -0.109 62.056 62.100 0.107 0.000 0.937 231 T CB 0.165 69.102 68.868 0.114 0.000 1.164 231 T HN 0.611 nan 8.240 nan 0.000 0.509 232 G N 2.442 111.321 108.800 0.132 0.000 2.451 232 G HA2 -0.274 -3.340 3.960 -11.709 0.000 0.296 232 G HA3 -0.274 -3.340 3.960 -11.709 0.000 0.296 232 G C 0.610 175.514 174.900 0.008 0.000 0.922 232 G CA 0.613 45.772 45.100 0.098 0.000 1.074 232 G HN 0.611 nan 8.290 nan 0.000 0.509 233 D N -0.043 120.365 120.400 0.014 0.000 2.178 233 D HA -0.087 -2.473 4.640 -11.709 0.000 0.202 233 D C 2.379 178.628 176.300 -0.085 0.000 0.974 233 D CA 1.428 55.412 54.000 -0.027 0.000 0.841 233 D CB -0.249 40.506 40.800 -0.075 0.000 0.953 233 D HN 0.530 nan 8.370 nan 0.000 0.478 234 G N 0.511 109.264 108.800 -0.078 0.000 2.408 234 G HA2 -0.169 -3.234 3.960 -11.709 0.000 0.215 234 G HA3 -0.169 -3.234 3.960 -11.709 0.000 0.215 234 G C 1.714 176.568 174.900 -0.077 0.000 1.156 234 G CA 0.805 45.854 45.100 -0.084 0.000 0.793 234 G HN 0.165 nan 8.290 nan 0.000 0.535 235 T N 1.767 116.278 114.554 -0.073 0.000 2.720 235 T HA -0.029 -2.705 4.350 -11.709 0.000 0.268 235 T C 2.799 177.427 174.700 -0.119 0.000 1.037 235 T CA 1.552 63.588 62.100 -0.106 0.000 1.144 235 T CB -0.316 68.461 68.868 -0.153 0.000 0.864 235 T HN 0.356 nan 8.240 nan 0.000 0.444 236 A N 1.412 124.171 122.820 -0.102 0.000 1.841 236 A HA -0.034 -2.739 4.320 -11.709 0.000 0.214 236 A C 2.342 179.889 177.584 -0.062 0.000 1.195 236 A CA 1.670 53.662 52.037 -0.076 0.000 0.611 236 A CB -0.901 18.074 19.000 -0.041 0.000 0.835 236 A HN 0.421 nan 8.150 nan 0.000 0.443 237 M N -0.706 118.855 119.600 -0.065 0.000 2.153 237 M HA -0.241 -2.787 4.480 -11.709 0.000 0.253 237 M C 2.047 178.310 176.300 -0.062 0.000 1.081 237 M CA 1.811 57.071 55.300 -0.066 0.000 1.076 237 M CB -0.457 32.089 32.600 -0.090 0.000 1.350 237 M HN 0.305 nan 8.290 nan 0.000 0.401 238 V N -0.421 119.451 119.914 -0.071 0.000 2.283 238 V HA -0.216 -3.121 4.120 -11.709 0.000 0.243 238 V C 2.229 178.285 176.094 -0.064 0.000 1.039 238 V CA 2.282 64.539 62.300 -0.072 0.000 1.016 238 V CB -0.894 30.877 31.823 -0.086 0.000 0.650 238 V HN 0.603 nan 8.190 nan 0.000 0.449 239 T N -1.582 112.927 114.554 -0.076 0.000 3.113 239 T HA -0.082 -2.757 4.350 -11.709 0.000 0.263 239 T C 1.687 176.369 174.700 -0.030 0.000 1.143 239 T CA 0.617 62.678 62.100 -0.065 0.000 1.090 239 T CB -0.263 68.547 68.868 -0.096 0.000 0.922 239 T HN 0.363 nan 8.240 nan 0.000 0.521 240 R N 0.452 120.935 120.500 -0.028 0.000 2.297 240 R HA 0.383 -2.303 4.340 -11.709 0.000 0.197 240 R C 1.857 178.150 176.300 -0.013 0.000 0.943 240 R CA 0.531 56.622 56.100 -0.014 0.000 1.038 240 R CB 0.103 30.395 30.300 -0.012 0.000 0.957 240 R HN 0.451 nan 8.270 nan 0.000 0.484 241 A N -0.435 122.376 122.820 -0.015 0.000 2.431 241 A HA 0.345 -2.361 4.320 -11.709 0.000 0.239 241 A C 1.181 178.769 177.584 0.006 0.000 1.230 241 A CA 0.469 52.499 52.037 -0.012 0.000 0.928 241 A CB 0.516 19.501 19.000 -0.025 0.000 1.006 241 A HN 0.316 nan 8.150 nan 0.000 0.520 242 G N -0.823 107.993 108.800 0.028 0.000 2.176 242 G HA2 -0.212 -3.278 3.960 -11.709 0.000 0.253 242 G HA3 -0.212 -3.278 3.960 -11.709 0.000 0.253 242 G C 0.134 175.131 174.900 0.163 0.000 0.979 242 G CA 0.350 45.500 45.100 0.083 0.000 0.641 242 G HN 0.430 nan 8.290 nan 0.000 0.530 243 L N 2.144 123.409 121.223 0.069 0.000 2.439 243 L HA 0.502 -2.184 4.340 -11.709 0.000 0.261 243 L C -1.344 175.451 176.870 -0.125 0.000 1.153 243 L CA -2.030 52.830 54.840 0.033 0.000 0.808 243 L CB 0.763 42.804 42.059 -0.029 0.000 1.126 243 L HN -0.013 nan 8.230 nan 0.000 0.460 244 P HA 0.201 nan 4.420 nan 0.000 0.284 244 P C -1.276 175.803 177.300 -0.368 0.000 1.258 244 P CA -0.610 62.073 63.100 -0.695 0.000 0.824 244 P CB 1.241 32.479 31.700 -0.770 0.000 1.038 245 C N 1.173 120.258 119.300 -0.357 0.000 2.397 245 C HA 0.506 -2.059 4.460 -11.709 0.000 0.343 245 C C 0.381 175.266 174.990 -0.175 0.000 1.188 245 C CA -0.117 58.773 59.018 -0.213 0.000 1.992 245 C CB 0.856 28.490 27.740 -0.177 0.000 2.358 245 C HN 0.563 nan 8.230 nan 0.000 0.518 246 Q N 0.874 120.615 119.800 -0.098 0.000 2.282 246 Q HA 0.264 -2.422 4.340 -11.709 0.000 0.260 246 Q C -0.712 175.325 176.000 0.062 0.000 0.964 246 Q CA -0.194 55.583 55.803 -0.044 0.000 0.880 246 Q CB 0.810 29.489 28.738 -0.098 0.000 1.286 246 Q HN 0.792 nan 8.270 nan 0.000 0.445 247 D N 2.910 123.413 120.400 0.171 0.000 2.686 247 D HA -0.223 -2.608 4.640 -11.709 0.000 0.235 247 D C 0.428 176.940 176.300 0.354 0.000 1.160 247 D CA 0.743 54.974 54.000 0.386 0.000 0.645 247 D CB -0.795 40.258 40.800 0.422 0.000 1.039 247 D HN 0.657 nan 8.370 nan 0.000 0.423 248 L N 0.165 121.505 121.223 0.194 0.000 2.478 248 L HA -0.114 -2.800 4.340 -11.709 0.000 0.223 248 L C 2.584 179.572 176.870 0.195 0.000 1.140 248 L CA 0.833 55.795 54.840 0.204 0.000 0.842 248 L CB -0.173 41.944 42.059 0.095 0.000 0.953 248 L HN 0.220 nan 8.230 nan 0.000 0.452 249 E N 0.667 120.893 120.200 0.044 0.000 2.152 249 E HA -0.191 -2.867 4.350 -11.709 0.000 0.192 249 E C 0.457 177.022 176.600 -0.059 0.000 0.983 249 E CA 0.528 56.875 56.400 -0.088 0.000 0.818 249 E CB -0.477 28.973 29.700 -0.417 0.000 0.758 249 E HN 0.301 nan 8.360 nan 0.000 0.467 250 F N 2.195 122.228 119.950 0.139 0.000 2.512 250 F HA 0.145 -2.363 4.527 -11.725 0.000 0.350 250 F C -0.048 175.815 175.800 0.105 0.000 1.212 250 F CA -0.216 57.874 58.000 0.150 0.000 1.099 250 F CB 0.587 39.675 39.000 0.146 0.000 1.238 250 F HN -0.277 nan 8.300 nan 0.000 0.600 251 V N 4.010 124.044 119.914 0.200 0.000 2.407 251 V HA 0.207 -2.698 4.120 -11.709 0.000 0.291 251 V C -0.086 175.954 176.094 -0.090 0.000 1.018 251 V CA -0.988 61.297 62.300 -0.024 0.000 0.842 251 V CB 1.475 33.210 31.823 -0.147 0.000 0.996 251 V HN 0.605 nan 8.190 nan 0.000 0.426 252 Q N 3.799 123.583 119.800 -0.027 0.000 2.293 252 Q HA 0.330 -2.356 4.340 -11.709 0.000 0.263 252 Q C -1.222 174.716 176.000 -0.104 0.000 1.002 252 Q CA -0.257 55.578 55.803 0.053 0.000 0.910 252 Q CB 0.489 29.339 28.738 0.186 0.000 1.185 252 Q HN 0.636 nan 8.270 nan 0.000 0.401 253 F N 3.908 123.874 119.950 0.027 0.000 2.406 253 F HA 0.145 -2.357 4.527 -11.715 0.000 0.358 253 F C 0.318 176.128 175.800 0.016 0.000 1.161 253 F CA -0.591 57.413 58.000 0.007 0.000 1.185 253 F CB 0.124 39.093 39.000 -0.051 0.000 1.421 253 F HN 0.639 nan 8.300 nan 0.000 0.576 254 H N 4.820 123.921 119.070 0.051 0.000 3.125 254 H HA 0.002 -2.468 4.556 -11.710 0.000 0.310 254 H C -1.646 173.671 175.328 -0.019 0.000 0.980 254 H CA -0.846 55.140 56.048 -0.103 0.000 1.422 254 H CB 0.961 30.496 29.762 -0.379 0.000 1.432 254 H HN 0.292 nan 8.280 nan 0.000 0.577 255 P HA -0.089 nan 4.420 nan 0.000 0.218 255 P C -0.273 177.091 177.300 0.107 0.000 1.149 255 P CA 1.435 64.522 63.100 -0.022 0.000 0.817 255 P CB 0.317 31.936 31.700 -0.135 0.000 0.785 256 T N -2.908 111.796 114.554 0.250 0.000 2.807 256 T HA 0.743 -1.933 4.350 -11.709 0.000 0.279 256 T C -0.087 174.716 174.700 0.171 0.000 0.993 256 T CA -0.725 61.503 62.100 0.214 0.000 0.970 256 T CB 1.836 70.803 68.868 0.165 0.000 0.950 256 T HN 0.130 nan 8.240 nan 0.000 0.441 257 G N 2.607 111.469 108.800 0.103 0.000 2.433 257 G HA2 0.436 -2.630 3.960 -11.709 0.000 0.306 257 G HA3 0.436 -2.630 3.960 -11.709 0.000 0.306 257 G C -0.862 174.061 174.900 0.039 0.000 1.627 257 G CA -1.134 43.986 45.100 0.035 0.000 0.893 257 G HN 0.888 nan 8.290 nan 0.000 0.648 258 I N 2.100 122.673 120.570 0.006 0.000 2.948 258 I HA -0.058 -2.914 4.170 -11.709 0.000 0.303 258 I C 1.816 177.936 176.117 0.004 0.000 1.224 258 I CA -0.006 61.308 61.300 0.023 0.000 1.442 258 I CB 0.306 38.306 38.000 0.001 0.000 1.328 258 I HN 0.669 nan 8.210 nan 0.000 0.578 259 Y N 5.864 126.075 120.300 -0.148 0.000 2.114 259 Y HA -0.208 -2.684 4.550 -11.710 0.000 0.282 259 Y C 1.856 177.673 175.900 -0.138 0.000 1.165 259 Y CA 1.723 59.669 58.100 -0.257 0.000 1.148 259 Y CB -0.716 37.330 38.460 -0.691 0.000 0.972 259 Y HN 0.641 nan 8.280 nan 0.000 0.504 260 G N -0.287 108.301 108.800 -0.353 0.000 2.622 260 G HA2 -0.023 -3.089 3.960 -11.709 0.000 0.206 260 G HA3 -0.023 -3.089 3.960 -11.709 0.000 0.206 260 G C 1.722 176.460 174.900 -0.270 0.000 1.458 260 G CA 0.938 45.805 45.100 -0.388 0.000 0.919 260 G HN 0.588 nan 8.290 nan 0.000 0.508 261 A N -0.572 122.141 122.820 -0.178 0.000 2.125 261 A HA 0.369 -2.337 4.320 -11.709 0.000 0.219 261 A C 2.014 179.440 177.584 -0.263 0.000 1.156 261 A CA 1.717 53.630 52.037 -0.205 0.000 0.671 261 A CB -0.836 18.046 19.000 -0.196 0.000 0.794 261 A HN 2.103 nan 8.150 nan 0.000 0.459 262 G N -1.713 106.946 108.800 -0.235 0.000 2.225 262 G HA2 -0.242 -3.308 3.960 -11.709 0.000 0.264 262 G HA3 -0.242 -3.308 3.960 -11.709 0.000 0.264 262 G C 0.110 174.886 174.900 -0.207 0.000 1.060 262 G CA -0.012 44.976 45.100 -0.185 0.000 0.833 262 G HN 0.635 nan 8.290 nan 0.000 0.498 263 C N -0.283 118.844 119.300 -0.290 0.000 2.605 263 C HA 0.553 -2.013 4.460 -11.709 0.000 0.404 263 C C 1.177 176.066 174.990 -0.168 0.000 1.284 263 C CA -0.722 58.114 59.018 -0.304 0.000 2.199 263 C CB 0.626 28.047 27.740 -0.531 0.000 2.647 263 C HN 0.721 nan 8.230 nan 0.000 0.604 264 L N 3.769 124.913 121.223 -0.132 0.000 2.410 264 L HA 0.398 -2.288 4.340 -11.709 0.000 0.273 264 L C -0.424 176.393 176.870 -0.089 0.000 1.144 264 L CA 0.678 55.438 54.840 -0.132 0.000 0.863 264 L CB 0.007 41.990 42.059 -0.126 0.000 1.140 264 L HN 0.513 nan 8.230 nan 0.000 0.463 265 I N 4.832 125.363 120.570 -0.065 0.000 2.328 265 I HA 0.209 -2.646 4.170 -11.709 0.000 0.287 265 I C 0.681 176.819 176.117 0.035 0.000 1.012 265 I CA -0.298 61.005 61.300 0.006 0.000 1.195 265 I CB 1.457 39.485 38.000 0.047 0.000 1.350 265 I HN 0.594 nan 8.210 nan 0.000 0.464 266 T N 3.217 117.802 114.554 0.051 0.000 2.855 266 T HA -0.071 -2.746 4.350 -11.709 0.000 0.322 266 T C 1.240 176.035 174.700 0.160 0.000 1.088 266 T CA 0.276 62.448 62.100 0.120 0.000 1.104 266 T CB 0.631 69.584 68.868 0.143 0.000 0.996 266 T HN 0.820 nan 8.240 nan 0.000 0.549 267 E N 1.430 121.736 120.200 0.176 0.000 2.347 267 E HA 0.012 -2.664 4.350 -11.709 0.000 0.196 267 E C 2.033 178.400 176.600 -0.389 0.000 1.008 267 E CA 0.864 57.150 56.400 -0.190 0.000 0.852 267 E CB -0.708 28.748 29.700 -0.407 0.000 0.783 267 E HN 0.879 nan 8.360 nan 0.000 0.505 268 G N 0.016 108.772 108.800 -0.074 0.000 2.527 268 G HA2 -0.256 -3.322 3.960 -11.709 0.000 0.219 268 G HA3 -0.256 -3.322 3.960 -11.709 0.000 0.219 268 G C 1.418 176.317 174.900 -0.000 0.000 1.117 268 G CA 0.722 45.850 45.100 0.048 0.000 0.759 268 G HN 0.366 nan 8.290 nan 0.000 0.556 269 C N -0.382 118.905 119.300 -0.021 0.000 2.466 269 C HA 0.115 -2.451 4.460 -11.709 0.000 0.278 269 C C 2.894 177.857 174.990 -0.045 0.000 1.288 269 C CA 0.469 59.480 59.018 -0.011 0.000 1.722 269 C CB -0.565 27.184 27.740 0.014 0.000 2.017 269 C HN 0.483 nan 8.230 nan 0.000 0.488 270 R N 0.276 120.707 120.500 -0.116 0.000 2.153 270 R HA 0.008 -2.677 4.340 -11.709 0.000 0.218 270 R C 2.252 178.461 176.300 -0.152 0.000 1.072 270 R CA 1.251 57.269 56.100 -0.136 0.000 0.990 270 R CB -0.426 29.754 30.300 -0.200 0.000 0.889 270 R HN 0.576 nan 8.270 nan 0.000 0.452 271 G N 0.111 108.780 108.800 -0.217 0.000 2.813 271 G HA2 -0.113 -3.179 3.960 -11.709 0.000 0.209 271 G HA3 -0.113 -3.179 3.960 -11.709 0.000 0.209 271 G C 0.953 175.840 174.900 -0.022 0.000 1.150 271 G CA 0.048 45.052 45.100 -0.159 0.000 0.785 271 G HN 0.158 nan 8.290 nan 0.000 0.535 272 E N -0.067 120.135 120.200 0.004 0.000 2.501 272 E HA 0.227 -2.449 4.350 -11.709 0.000 0.200 272 E C 1.519 178.144 176.600 0.041 0.000 1.016 272 E CA 0.402 56.835 56.400 0.054 0.000 0.921 272 E CB 0.667 30.406 29.700 0.066 0.000 1.034 272 E HN 0.395 nan 8.360 nan 0.000 0.468 273 G N 0.856 109.679 108.800 0.039 0.000 2.192 273 G HA2 -0.201 -3.266 3.960 -11.709 0.000 0.193 273 G HA3 -0.201 -3.267 3.960 -11.709 0.000 0.193 273 G C 0.677 175.674 174.900 0.162 0.000 0.999 273 G CA -0.293 44.860 45.100 0.089 0.000 0.659 273 G HN 0.426 nan 8.290 nan 0.000 0.503 274 G N -0.026 108.822 108.800 0.080 0.000 2.594 274 G HA2 0.530 -2.535 3.960 -11.709 0.000 0.243 274 G HA3 0.530 -2.535 3.960 -11.709 0.000 0.243 274 G C 0.109 175.096 174.900 0.144 0.000 1.229 274 G CA 0.187 45.366 45.100 0.133 0.000 0.843 274 G HN 0.486 nan 8.290 nan 0.000 0.578 275 I N -0.375 120.305 120.570 0.184 0.000 3.067 275 I HA 0.454 -2.401 4.170 -11.709 0.000 0.312 275 I C -0.631 175.525 176.117 0.064 0.000 1.073 275 I CA -0.986 60.355 61.300 0.070 0.000 1.016 275 I CB 1.772 39.779 38.000 0.012 0.000 1.227 275 I HN 0.181 nan 8.210 nan 0.000 0.456 276 L N 3.732 124.961 121.223 0.010 0.000 2.325 276 L HA 0.509 -2.176 4.340 -11.709 0.000 0.281 276 L C -0.641 176.378 176.870 0.249 0.000 1.004 276 L CA -0.110 54.793 54.840 0.105 0.000 0.823 276 L CB 1.424 43.474 42.059 -0.015 0.000 1.236 276 L HN 0.280 nan 8.230 nan 0.000 0.415 277 I N 4.115 124.891 120.570 0.344 0.000 2.406 277 I HA 0.396 -2.460 4.170 -11.709 0.000 0.290 277 I C 0.006 176.299 176.117 0.293 0.000 0.999 277 I CA -0.268 61.230 61.300 0.329 0.000 1.124 277 I CB 1.362 39.499 38.000 0.229 0.000 1.289 277 I HN 0.697 nan 8.210 nan 0.000 0.441 278 N N 3.586 122.394 118.700 0.180 0.000 2.538 278 N HA 0.216 -2.069 4.740 -11.709 0.000 0.292 278 N C 1.112 176.598 175.510 -0.040 0.000 1.262 278 N CA -0.025 52.968 53.050 -0.095 0.000 0.976 278 N CB 0.392 38.637 38.487 -0.404 0.000 1.161 278 N HN 0.502 nan 8.380 nan 0.000 0.598 279 S N -0.695 114.933 115.700 -0.120 0.000 2.380 279 S HA -0.323 -2.879 4.470 -11.709 0.000 0.229 279 S C 1.653 176.241 174.600 -0.021 0.000 1.043 279 S CA 1.796 59.948 58.200 -0.081 0.000 1.038 279 S CB -0.639 62.490 63.200 -0.119 0.000 0.872 279 S HN 0.732 nan 8.310 nan 0.000 0.456 280 Q N 0.593 120.383 119.800 -0.017 0.000 2.245 280 Q HA 0.248 -2.438 4.340 -11.709 0.000 0.201 280 Q C 1.608 177.624 176.000 0.027 0.000 0.955 280 Q CA 0.966 56.771 55.803 0.004 0.000 0.870 280 Q CB -0.117 28.623 28.738 0.003 0.000 0.945 280 Q HN 0.859 nan 8.270 nan 0.000 0.461 281 G N -0.013 108.817 108.800 0.051 0.000 2.284 281 G HA2 -0.237 -3.303 3.960 -11.709 0.000 0.201 281 G HA3 -0.237 -3.303 3.960 -11.709 0.000 0.201 281 G C -0.147 174.805 174.900 0.086 0.000 0.998 281 G CA -0.016 45.123 45.100 0.067 0.000 0.651 281 G HN 0.349 nan 8.290 nan 0.000 0.489 282 E N 1.276 121.534 120.200 0.097 0.000 2.452 282 E HA 0.123 -2.553 4.350 -11.709 0.000 0.261 282 E C 0.674 177.383 176.600 0.182 0.000 0.987 282 E CA -0.400 56.070 56.400 0.117 0.000 0.926 282 E CB 0.264 30.038 29.700 0.124 0.000 0.934 282 E HN 0.378 nan 8.360 nan 0.000 0.452 283 R N 5.386 125.952 120.500 0.111 0.000 2.606 283 R HA -0.031 -2.716 4.340 -11.709 0.000 0.276 283 R C 0.815 177.159 176.300 0.073 0.000 1.416 283 R CA -0.055 56.084 56.100 0.065 0.000 1.064 283 R CB -0.581 29.710 30.300 -0.014 0.000 1.117 283 R HN 0.555 nan 8.270 nan 0.000 0.543 284 F N 1.827 121.821 119.950 0.074 0.000 2.546 284 F HA -0.000 -2.500 4.527 -11.711 0.000 0.298 284 F C 0.911 176.832 175.800 0.202 0.000 1.120 284 F CA 0.070 58.159 58.000 0.148 0.000 1.456 284 F CB 0.020 39.115 39.000 0.158 0.000 1.088 284 F HN 0.253 nan 8.300 nan 0.000 0.572 285 M N 1.249 120.524 119.600 -0.542 0.000 2.726 285 M HA 0.058 -2.488 4.480 -11.709 0.000 0.211 285 M C 0.921 177.162 176.300 -0.097 0.000 1.190 285 M CA 0.656 55.732 55.300 -0.373 0.000 1.000 285 M CB -1.189 31.108 32.600 -0.506 0.000 1.790 285 M HN 0.508 nan 8.290 nan 0.000 0.467 286 E N -0.481 119.718 120.200 -0.001 0.000 2.568 286 E HA 0.061 -2.615 4.350 -11.709 0.000 0.220 286 E C 1.756 178.381 176.600 0.042 0.000 0.869 286 E CA -0.005 56.405 56.400 0.017 0.000 1.268 286 E CB 0.697 30.397 29.700 0.000 0.000 1.252 286 E HN 0.411 nan 8.360 nan 0.000 0.606 287 R N -0.728 119.817 120.500 0.074 0.000 2.280 287 R HA 0.062 -2.624 4.340 -11.709 0.000 0.195 287 R C 0.672 176.928 176.300 -0.074 0.000 0.935 287 R CA 0.644 56.745 56.100 0.002 0.000 1.033 287 R CB 0.167 30.462 30.300 -0.007 0.000 0.964 287 R HN 0.142 nan 8.270 nan 0.000 0.489 288 Y N -0.335 119.996 120.300 0.051 0.000 2.464 288 Y HA 0.408 -2.068 4.550 -11.711 0.000 0.288 288 Y C 0.602 176.528 175.900 0.045 0.000 1.133 288 Y CA 0.527 58.666 58.100 0.064 0.000 1.223 288 Y CB 0.876 39.394 38.460 0.096 0.000 1.187 288 Y HN 0.110 nan 8.280 nan 0.000 0.539 289 A N -0.004 122.919 122.820 0.172 0.000 2.651 289 A HA 0.454 -2.251 4.320 -11.709 0.000 0.290 289 A C -2.463 175.163 177.584 0.069 0.000 1.185 289 A CA -1.143 50.962 52.037 0.114 0.000 0.746 289 A CB 0.606 19.676 19.000 0.117 0.000 1.213 289 A HN 0.003 nan 8.150 nan 0.000 0.429 290 P HA -0.022 nan 4.420 nan 0.000 0.217 290 P C 1.656 178.977 177.300 0.036 0.000 1.154 290 P CA 0.734 63.855 63.100 0.034 0.000 0.841 290 P CB 0.173 31.887 31.700 0.024 0.000 0.790 291 V N 0.706 120.647 119.914 0.045 0.000 2.231 291 V HA -0.245 -3.150 4.120 -11.709 0.000 0.248 291 V C 2.245 178.370 176.094 0.053 0.000 1.054 291 V CA 2.701 65.025 62.300 0.040 0.000 1.015 291 V CB -1.693 30.148 31.823 0.031 0.000 0.638 291 V HN 0.139 nan 8.190 nan 0.000 0.444 292 A N -2.569 120.307 122.820 0.092 0.000 2.390 292 A HA 0.307 -2.399 4.320 -11.709 0.000 0.232 292 A C 0.854 178.467 177.584 0.048 0.000 1.233 292 A CA 0.057 52.155 52.037 0.102 0.000 0.907 292 A CB 0.027 19.167 19.000 0.233 0.000 0.967 292 A HN 0.534 nan 8.150 nan 0.000 0.512 293 K N -0.650 119.768 120.400 0.030 0.000 1.850 293 K HA -0.215 -2.921 4.320 -11.709 0.000 0.415 293 K C 0.010 176.580 176.600 -0.050 0.000 1.767 293 K CA 1.224 57.505 56.287 -0.011 0.000 0.759 293 K CB -0.789 31.700 32.500 -0.019 0.000 1.141 293 K HN 0.527 nan 8.250 nan 0.000 0.757 294 D N 0.590 120.936 120.400 -0.089 0.000 2.371 294 D HA -0.028 -2.413 4.640 -11.709 0.000 0.234 294 D C 0.704 176.916 176.300 -0.146 0.000 1.049 294 D CA 0.558 54.474 54.000 -0.141 0.000 0.907 294 D CB 0.026 40.724 40.800 -0.170 0.000 0.891 294 D HN 0.249 nan 8.370 nan 0.000 0.531 295 L N 0.258 121.408 121.223 -0.121 0.000 3.084 295 L HA 0.557 -2.128 4.340 -11.709 0.000 0.238 295 L C 0.407 177.178 176.870 -0.165 0.000 1.327 295 L CA -0.699 54.047 54.840 -0.156 0.000 1.094 295 L CB -0.362 41.619 42.059 -0.131 0.000 1.477 295 L HN 0.121 nan 8.230 nan 0.000 0.514 296 A N -1.078 121.630 122.820 -0.187 0.000 2.529 296 A HA 0.679 -2.026 4.320 -11.709 0.000 0.269 296 A C 0.623 177.960 177.584 -0.412 0.000 1.509 296 A CA -0.326 51.544 52.037 -0.278 0.000 0.857 296 A CB -0.010 18.905 19.000 -0.142 0.000 1.531 296 A HN 0.353 nan 8.150 nan 0.000 0.541 297 S N -0.426 114.954 115.700 -0.533 0.000 2.579 297 S HA 0.164 -2.392 4.470 -11.709 0.000 0.275 297 S C 1.207 175.661 174.600 -0.243 0.000 1.345 297 S CA -0.459 57.492 58.200 -0.415 0.000 1.031 297 S CB 0.519 63.508 63.200 -0.353 0.000 0.892 297 S HN 0.524 nan 8.310 nan 0.000 0.529 298 R N 0.964 121.347 120.500 -0.196 0.000 2.285 298 R HA -0.095 -2.780 4.340 -11.709 0.000 0.213 298 R C 0.749 176.986 176.300 -0.105 0.000 1.068 298 R CA 1.283 57.274 56.100 -0.182 0.000 1.004 298 R CB -0.264 29.936 30.300 -0.167 0.000 0.873 298 R HN 0.742 nan 8.270 nan 0.000 0.467 299 D N -1.190 119.168 120.400 -0.070 0.000 2.380 299 D HA -0.039 -2.424 4.640 -11.709 0.000 0.212 299 D C 1.665 177.933 176.300 -0.053 0.000 1.021 299 D CA 0.119 54.104 54.000 -0.025 0.000 0.884 299 D CB -0.316 40.501 40.800 0.029 0.000 1.001 299 D HN -0.107 nan 8.370 nan 0.000 0.506 300 V N 0.724 120.605 119.914 -0.054 0.000 2.407 300 V HA -0.127 -3.032 4.120 -11.709 0.000 0.245 300 V C 2.672 178.734 176.094 -0.054 0.000 1.041 300 V CA 1.076 63.360 62.300 -0.026 0.000 1.040 300 V CB -0.092 31.741 31.823 0.018 0.000 0.671 300 V HN 0.105 nan 8.190 nan 0.000 0.455 301 V N 1.210 121.068 119.914 -0.094 0.000 2.295 301 V HA -0.241 -3.146 4.120 -11.709 0.000 0.246 301 V C 2.732 178.783 176.094 -0.073 0.000 1.049 301 V CA 2.383 64.618 62.300 -0.109 0.000 1.024 301 V CB -1.066 30.666 31.823 -0.152 0.000 0.648 301 V HN 0.744 nan 8.190 nan 0.000 0.447 302 S N 0.517 116.171 115.700 -0.076 0.000 2.382 302 S HA -0.266 -2.821 4.470 -11.709 0.000 0.228 302 S C 2.044 176.589 174.600 -0.092 0.000 1.027 302 S CA 1.562 59.729 58.200 -0.056 0.000 0.991 302 S CB -0.478 62.704 63.200 -0.031 0.000 0.823 302 S HN 0.452 nan 8.310 nan 0.000 0.469 303 R N 1.667 122.091 120.500 -0.127 0.000 2.081 303 R HA 0.075 -2.610 4.340 -11.709 0.000 0.235 303 R C 2.482 178.750 176.300 -0.052 0.000 1.131 303 R CA 1.679 57.685 56.100 -0.157 0.000 0.960 303 R CB -0.874 29.322 30.300 -0.174 0.000 0.856 303 R HN 0.512 nan 8.270 nan 0.000 0.436 304 S N 0.114 115.737 115.700 -0.128 0.000 2.356 304 S HA -0.182 -2.737 4.470 -11.709 0.000 0.223 304 S C 1.892 176.349 174.600 -0.239 0.000 1.032 304 S CA 1.745 59.704 58.200 -0.402 0.000 1.005 304 S CB -0.220 62.748 63.200 -0.387 0.000 0.867 304 S HN 0.291 nan 8.310 nan 0.000 0.449 305 M N 0.680 120.272 119.600 -0.012 0.000 2.067 305 M HA -0.110 -2.656 4.480 -11.709 0.000 0.260 305 M C 2.681 178.923 176.300 -0.097 0.000 1.069 305 M CA 1.641 56.920 55.300 -0.034 0.000 1.117 305 M CB -0.993 31.645 32.600 0.064 0.000 1.334 305 M HN 0.288 nan 8.290 nan 0.000 0.407 306 T N 0.592 115.122 114.554 -0.040 0.000 2.759 306 T HA -0.138 -2.813 4.350 -11.709 0.000 0.269 306 T C 1.599 176.324 174.700 0.042 0.000 1.042 306 T CA 1.222 63.319 62.100 -0.005 0.000 1.140 306 T CB -0.083 68.769 68.868 -0.027 0.000 0.864 306 T HN 0.172 nan 8.240 nan 0.000 0.455 307 L N 0.908 122.191 121.223 0.100 0.000 2.179 307 L HA 0.178 -2.507 4.340 -11.709 0.000 0.208 307 L C 2.461 179.315 176.870 -0.027 0.000 1.096 307 L CA 1.560 56.436 54.840 0.060 0.000 0.779 307 L CB -0.495 41.646 42.059 0.137 0.000 0.922 307 L HN 0.176 nan 8.230 nan 0.000 0.443 308 E N -0.193 119.951 120.200 -0.095 0.000 2.160 308 E HA -0.209 -2.885 4.350 -11.709 0.000 0.195 308 E C 2.196 178.696 176.600 -0.166 0.000 0.991 308 E CA 1.517 57.818 56.400 -0.165 0.000 0.810 308 E CB -0.132 29.323 29.700 -0.408 0.000 0.742 308 E HN 0.576 nan 8.360 nan 0.000 0.466 309 I N 0.825 121.309 120.570 -0.145 0.000 2.315 309 I HA -0.225 -3.081 4.170 -11.709 0.000 0.248 309 I C 2.235 178.296 176.117 -0.093 0.000 1.117 309 I CA 0.772 61.996 61.300 -0.126 0.000 1.404 309 I CB -0.162 37.783 38.000 -0.092 0.000 1.071 309 I HN -0.078 nan 8.210 nan 0.000 0.419 310 R N 0.955 121.411 120.500 -0.074 0.000 2.189 310 R HA -0.049 -2.734 4.340 -11.709 0.000 0.218 310 R C 1.636 177.893 176.300 -0.072 0.000 1.074 310 R CA 0.749 56.806 56.100 -0.072 0.000 0.991 310 R CB -0.671 29.578 30.300 -0.085 0.000 0.883 310 R HN 0.435 nan 8.270 nan 0.000 0.457 311 E N -0.044 120.115 120.200 -0.069 0.000 2.478 311 E HA -0.010 -2.686 4.350 -11.709 0.000 0.198 311 E C 1.100 177.660 176.600 -0.066 0.000 1.046 311 E CA 0.868 57.234 56.400 -0.056 0.000 0.870 311 E CB 0.049 29.729 29.700 -0.034 0.000 0.818 311 E HN 0.549 nan 8.360 nan 0.000 0.527 312 G N 1.711 110.462 108.800 -0.081 0.000 2.194 312 G HA2 -0.293 -3.359 3.960 -11.709 0.000 0.236 312 G HA3 -0.293 -3.359 3.960 -11.709 0.000 0.236 312 G C 0.638 175.472 174.900 -0.108 0.000 0.987 312 G CA -0.016 45.033 45.100 -0.085 0.000 0.635 312 G HN 0.162 nan 8.290 nan 0.000 0.520 313 R N 1.635 122.058 120.500 -0.128 0.000 4.556 313 R HA 0.495 -2.191 4.340 -11.709 0.000 0.197 313 R C 1.209 177.374 176.300 -0.224 0.000 1.791 313 R CA 0.771 56.771 56.100 -0.165 0.000 1.526 313 R CB -0.063 30.128 30.300 -0.181 0.000 1.410 313 R HN 0.473 nan 8.270 nan 0.000 0.826 314 G N -0.851 107.818 108.800 -0.220 0.000 2.451 314 G HA2 0.349 -2.717 3.960 -11.709 0.000 0.303 314 G HA3 0.349 -2.717 3.960 -11.709 0.000 0.303 314 G C -0.511 174.163 174.900 -0.377 0.000 1.166 314 G CA -0.433 44.488 45.100 -0.299 0.000 0.884 314 G HN 0.496 nan 8.290 nan 0.000 0.514 315 C N 1.448 120.392 119.300 -0.594 0.000 3.465 315 C HA 0.773 -1.793 4.460 -11.709 0.000 0.193 315 C C 0.860 175.303 174.990 -0.911 0.000 1.515 315 C CA -0.275 58.302 59.018 -0.735 0.000 1.340 315 C CB -0.596 26.485 27.740 -1.098 0.000 1.928 315 C HN 1.114 nan 8.230 nan 0.000 0.510 316 G N 1.285 109.685 108.800 -0.666 0.000 2.650 316 G HA2 0.581 -2.485 3.960 -11.709 0.000 0.310 316 G HA3 0.581 -2.485 3.960 -11.709 0.000 0.310 316 G C -2.312 172.476 174.900 -0.186 0.000 1.270 316 G CA -0.379 44.424 45.100 -0.494 0.000 0.810 316 G HN 0.036 nan 8.290 nan 0.000 0.493 317 P HA 0.142 nan 4.420 nan 0.000 0.222 317 P C 0.681 177.962 177.300 -0.032 0.000 1.153 317 P CA 1.060 64.157 63.100 -0.005 0.000 0.798 317 P CB 0.564 32.304 31.700 0.067 0.000 0.796 318 E N -0.835 119.321 120.200 -0.072 0.000 2.876 318 E HA 0.107 -2.569 4.350 -11.709 0.000 0.208 318 E C -0.590 175.942 176.600 -0.113 0.000 0.981 318 E CA -0.228 56.138 56.400 -0.057 0.000 1.174 318 E CB 0.047 29.751 29.700 0.006 0.000 1.047 318 E HN -0.091 nan 8.360 nan 0.000 0.477 319 K N 1.982 122.261 120.400 -0.203 0.000 3.730 319 K HA -0.173 -2.879 4.320 -11.709 0.000 0.276 319 K C -0.649 175.820 176.600 -0.219 0.000 0.904 319 K CA 1.132 57.266 56.287 -0.254 0.000 0.741 319 K CB -1.005 31.390 32.500 -0.173 0.000 1.542 319 K HN 0.340 nan 8.250 nan 0.000 0.446 320 D N -0.666 119.579 120.400 -0.258 0.000 2.582 320 D HA 0.037 -2.349 4.640 -11.709 0.000 0.246 320 D C 0.291 176.593 176.300 0.003 0.000 1.334 320 D CA -0.105 53.843 54.000 -0.086 0.000 0.805 320 D CB 0.188 41.002 40.800 0.025 0.000 1.087 320 D HN 0.552 nan 8.370 nan 0.000 0.499 321 H N -2.470 116.448 119.070 -0.253 0.000 2.960 321 H HA 0.705 -1.765 4.556 -11.710 0.000 0.323 321 H C -1.390 173.768 175.328 -0.283 0.000 1.326 321 H CA -0.894 55.029 56.048 -0.208 0.000 1.124 321 H CB 0.870 30.531 29.762 -0.168 0.000 1.853 321 H HN -0.175 nan 8.280 nan 0.000 0.536 322 V N 0.085 119.923 119.914 -0.128 0.000 3.158 322 V HA 0.345 -2.561 4.120 -11.709 0.000 0.315 322 V C -1.007 175.021 176.094 -0.110 0.000 1.148 322 V CA -0.754 61.410 62.300 -0.227 0.000 1.042 322 V CB 1.972 33.717 31.823 -0.129 0.000 1.101 322 V HN 0.607 nan 8.190 nan 0.000 0.448 323 Y N 0.867 121.216 120.300 0.082 0.000 2.457 323 Y HA 0.651 -1.824 4.550 -11.709 0.000 0.333 323 Y C -0.077 175.902 175.900 0.131 0.000 1.119 323 Y CA -1.209 56.956 58.100 0.109 0.000 1.143 323 Y CB 1.515 40.025 38.460 0.082 0.000 1.230 323 Y HN 0.342 nan 8.280 nan 0.000 0.469 324 L N 3.296 124.706 121.223 0.312 0.000 2.319 324 L HA 0.446 -2.240 4.340 -11.709 0.000 0.281 324 L C -0.805 176.158 176.870 0.155 0.000 1.005 324 L CA -0.541 54.417 54.840 0.196 0.000 0.828 324 L CB 1.252 43.400 42.059 0.147 0.000 1.227 324 L HN 0.646 nan 8.230 nan 0.000 0.415 325 Q N 4.644 124.533 119.800 0.148 0.000 2.257 325 Q HA 0.411 -2.275 4.340 -11.709 0.000 0.255 325 Q C -0.739 175.358 176.000 0.162 0.000 0.920 325 Q CA -0.483 55.401 55.803 0.135 0.000 0.927 325 Q CB 1.513 30.336 28.738 0.142 0.000 1.229 325 Q HN 0.797 nan 8.270 nan 0.000 0.433 326 L N 3.471 124.763 121.223 0.116 0.000 3.289 326 L HA 0.167 -2.518 4.340 -11.709 0.000 0.291 326 L C 0.908 177.794 176.870 0.027 0.000 1.279 326 L CA -0.194 54.666 54.840 0.033 0.000 1.025 326 L CB 0.077 42.136 42.059 0.001 0.000 1.413 326 L HN 0.783 nan 8.230 nan 0.000 0.593 327 H N 0.683 119.782 119.070 0.048 0.000 2.326 327 H HA -0.177 -2.647 4.556 -11.710 0.000 0.301 327 H C 2.456 177.810 175.328 0.043 0.000 1.081 327 H CA 2.357 58.432 56.048 0.045 0.000 1.334 327 H CB 0.290 30.092 29.762 0.067 0.000 1.385 327 H HN 0.463 nan 8.280 nan 0.000 0.504 328 H N -0.458 118.680 119.070 0.113 0.000 2.428 328 H HA -0.020 -2.489 4.556 -11.710 0.000 0.296 328 H C 0.679 176.008 175.328 0.002 0.000 1.062 328 H CA 0.126 56.215 56.048 0.068 0.000 1.350 328 H CB -0.648 29.172 29.762 0.096 0.000 1.403 328 H HN 0.211 nan 8.280 nan 0.000 0.533 329 L N 3.002 123.933 121.223 -0.486 0.000 2.506 329 L HA 0.112 -2.574 4.340 -11.709 0.000 0.281 329 L C -1.832 174.949 176.870 -0.149 0.000 1.228 329 L CA -1.306 53.353 54.840 -0.302 0.000 0.850 329 L CB 0.014 41.895 42.059 -0.298 0.000 1.110 329 L HN 0.135 nan 8.230 nan 0.000 0.496 330 P HA 0.077 nan 4.420 nan 0.000 0.264 330 P C -1.894 175.365 177.300 -0.069 0.000 1.193 330 P CA -0.819 62.242 63.100 -0.064 0.000 0.763 330 P CB 0.090 31.767 31.700 -0.038 0.000 0.810 331 P HA -0.160 nan 4.420 nan 0.000 0.216 331 P C 1.095 178.368 177.300 -0.045 0.000 1.150 331 P CA 1.424 64.488 63.100 -0.060 0.000 0.837 331 P CB -0.018 31.648 31.700 -0.056 0.000 0.786 332 E N -0.717 119.460 120.200 -0.039 0.000 2.265 332 E HA -0.202 -2.877 4.350 -11.709 0.000 0.196 332 E C 2.038 178.617 176.600 -0.035 0.000 0.996 332 E CA 0.695 57.075 56.400 -0.034 0.000 0.832 332 E CB -0.170 29.513 29.700 -0.029 0.000 0.756 332 E HN 0.409 nan 8.360 nan 0.000 0.491 333 Q N 0.071 119.849 119.800 -0.036 0.000 2.339 333 Q HA 0.030 -2.656 4.340 -11.709 0.000 0.205 333 Q C 2.140 178.123 176.000 -0.029 0.000 0.925 333 Q CA 0.001 55.785 55.803 -0.033 0.000 0.898 333 Q CB 0.365 29.088 28.738 -0.025 0.000 1.013 333 Q HN 0.272 nan 8.270 nan 0.000 0.504 334 L N 0.054 121.257 121.223 -0.035 0.000 2.056 334 L HA -0.119 -2.805 4.340 -11.709 0.000 0.207 334 L C 2.342 179.200 176.870 -0.019 0.000 1.078 334 L CA 1.294 56.118 54.840 -0.028 0.000 0.749 334 L CB -0.314 41.722 42.059 -0.038 0.000 0.901 334 L HN 0.200 nan 8.230 nan 0.000 0.433 335 A N -1.254 121.551 122.820 -0.024 0.000 2.066 335 A HA -0.066 -2.771 4.320 -11.709 0.000 0.218 335 A C 2.163 179.732 177.584 -0.023 0.000 1.157 335 A CA 1.253 53.277 52.037 -0.022 0.000 0.670 335 A CB -0.330 18.655 19.000 -0.024 0.000 0.804 335 A HN 0.240 nan 8.150 nan 0.000 0.453 336 V N -0.925 118.971 119.914 -0.030 0.000 2.575 336 V HA -0.007 -2.912 4.120 -11.709 0.000 0.242 336 V C 2.471 178.541 176.094 -0.041 0.000 1.045 336 V CA 1.145 63.419 62.300 -0.042 0.000 1.065 336 V CB -0.461 31.326 31.823 -0.060 0.000 0.717 336 V HN 0.376 nan 8.190 nan 0.000 0.467 337 R N -0.209 120.275 120.500 -0.026 0.000 2.189 337 R HA 0.306 -2.380 4.340 -11.709 0.000 0.203 337 R C 0.450 176.776 176.300 0.043 0.000 1.012 337 R CA 0.623 56.727 56.100 0.007 0.000 1.015 337 R CB 0.080 30.401 30.300 0.034 0.000 0.938 337 R HN 0.361 nan 8.270 nan 0.000 0.472 338 L N 1.924 123.163 121.223 0.027 0.000 2.551 338 L HA 0.272 -2.414 4.340 -11.709 0.000 0.248 338 L C -1.870 175.010 176.870 0.017 0.000 1.509 338 L CA -1.079 53.782 54.840 0.034 0.000 0.842 338 L CB 2.245 44.328 42.059 0.039 0.000 1.087 338 L HN -0.134 nan 8.230 nan 0.000 0.512 339 P HA -0.033 nan 4.420 nan 0.000 0.221 339 P C 1.361 178.661 177.300 0.000 0.000 1.155 339 P CA 0.840 63.939 63.100 -0.001 0.000 0.812 339 P CB 0.476 32.170 31.700 -0.010 0.000 0.801 340 G N 0.551 109.353 108.800 0.004 0.000 2.744 340 G HA2 -0.045 -3.110 3.960 -11.709 0.000 0.211 340 G HA3 -0.045 -3.110 3.960 -11.709 0.000 0.211 340 G C 1.413 176.326 174.900 0.022 0.000 1.143 340 G CA 0.207 45.309 45.100 0.002 0.000 0.788 340 G HN 0.409 nan 8.290 nan 0.000 0.534 341 I N -3.042 117.545 120.570 0.028 0.000 3.265 341 I HA 0.222 -2.634 4.170 -11.709 0.000 0.282 341 I C 2.370 178.510 176.117 0.039 0.000 1.207 341 I CA 0.423 61.746 61.300 0.039 0.000 1.449 341 I CB 0.130 38.155 38.000 0.041 0.000 1.121 341 I HN -0.127 nan 8.210 nan 0.000 0.442 342 S N 1.346 117.060 115.700 0.024 0.000 2.370 342 S HA -0.158 -2.714 4.470 -11.709 0.000 0.226 342 S C 1.857 176.469 174.600 0.021 0.000 1.033 342 S CA 1.809 60.019 58.200 0.017 0.000 1.011 342 S CB -0.319 62.883 63.200 0.004 0.000 0.852 342 S HN 0.564 nan 8.310 nan 0.000 0.457 343 E N 0.543 120.755 120.200 0.021 0.000 2.016 343 E HA -0.113 -2.789 4.350 -11.709 0.000 0.190 343 E C 2.540 179.170 176.600 0.050 0.000 0.985 343 E CA 1.642 58.054 56.400 0.020 0.000 0.802 343 E CB -0.368 29.337 29.700 0.008 0.000 0.762 343 E HN 0.685 nan 8.360 nan 0.000 0.448 344 T N -0.587 114.021 114.554 0.089 0.000 2.915 344 T HA 0.001 -2.674 4.350 -11.709 0.000 0.269 344 T C 2.011 176.835 174.700 0.207 0.000 1.071 344 T CA 0.949 63.164 62.100 0.190 0.000 1.132 344 T CB -0.099 68.884 68.868 0.191 0.000 0.878 344 T HN 0.139 nan 8.240 nan 0.000 0.479 345 A N 1.322 124.216 122.820 0.124 0.000 1.929 345 A HA 0.197 -2.509 4.320 -11.709 0.000 0.216 345 A C 2.313 179.957 177.584 0.100 0.000 1.176 345 A CA 1.654 53.759 52.037 0.114 0.000 0.628 345 A CB -0.668 18.380 19.000 0.080 0.000 0.816 345 A HN 0.497 nan 8.150 nan 0.000 0.444 346 M N -0.162 119.478 119.600 0.067 0.000 2.156 346 M HA 0.067 -2.479 4.480 -11.709 0.000 0.264 346 M C 1.729 178.040 176.300 0.017 0.000 1.067 346 M CA 1.594 56.916 55.300 0.037 0.000 1.131 346 M CB -0.509 32.100 32.600 0.016 0.000 1.368 346 M HN 0.335 nan 8.290 nan 0.000 0.416 347 I N -1.082 119.489 120.570 0.000 0.000 2.286 347 I HA -0.219 -3.075 4.170 -11.709 0.000 0.245 347 I C 1.557 177.545 176.117 -0.215 0.000 1.104 347 I CA 1.257 62.480 61.300 -0.129 0.000 1.397 347 I CB -0.261 37.621 38.000 -0.196 0.000 1.072 347 I HN 0.192 nan 8.210 nan 0.000 0.417 348 F N -0.316 119.641 119.950 0.012 0.000 2.530 348 F HA 0.148 -2.350 4.527 -11.708 0.000 0.292 348 F C 2.193 178.007 175.800 0.024 0.000 1.109 348 F CA 0.801 58.809 58.000 0.013 0.000 1.450 348 F CB -0.004 39.000 39.000 0.007 0.000 1.114 348 F HN -0.052 nan 8.300 nan 0.000 0.560 349 A N -0.988 121.949 122.820 0.194 0.000 2.138 349 A HA 0.519 -2.187 4.320 -11.709 0.000 0.203 349 A C 1.532 179.176 177.584 0.099 0.000 1.286 349 A CA 0.610 52.736 52.037 0.147 0.000 0.929 349 A CB -0.299 18.793 19.000 0.154 0.000 0.975 349 A HN 0.427 nan 8.150 nan 0.000 0.480 350 G N -0.451 108.393 108.800 0.073 0.000 2.255 350 G HA2 -0.058 -3.123 3.960 -11.709 0.000 0.239 350 G HA3 -0.058 -3.123 3.960 -11.709 0.000 0.239 350 G C -0.288 174.641 174.900 0.047 0.000 1.083 350 G CA 0.014 45.141 45.100 0.046 0.000 0.826 350 G HN 0.987 nan 8.290 nan 0.000 0.493 351 V N 0.718 120.663 119.914 0.052 0.000 2.350 351 V HA 0.415 -2.490 4.120 -11.709 0.000 0.285 351 V C 0.060 176.174 176.094 0.033 0.000 1.014 351 V CA -1.024 61.304 62.300 0.046 0.000 0.831 351 V CB 1.790 33.648 31.823 0.059 0.000 1.000 351 V HN 0.417 nan 8.190 nan 0.000 0.433 352 D N 3.890 124.304 120.400 0.023 0.000 2.346 352 D HA 0.070 -2.316 4.640 -11.709 0.000 0.260 352 D C 1.249 177.558 176.300 0.014 0.000 1.252 352 D CA -0.018 53.990 54.000 0.014 0.000 0.895 352 D CB 1.828 42.634 40.800 0.009 0.000 1.097 352 D HN 0.413 nan 8.370 nan 0.000 0.489 353 V N 2.243 122.164 119.914 0.011 0.000 2.490 353 V HA -0.171 -3.077 4.120 -11.709 0.000 0.250 353 V C 2.126 178.216 176.094 -0.007 0.000 1.061 353 V CA 1.948 64.254 62.300 0.010 0.000 1.064 353 V CB -1.231 30.598 31.823 0.009 0.000 0.670 353 V HN 0.583 nan 8.190 nan 0.000 0.461 354 T N -0.712 113.825 114.554 -0.027 0.000 2.904 354 T HA -0.043 -2.719 4.350 -11.709 0.000 0.267 354 T C 1.322 175.957 174.700 -0.109 0.000 1.059 354 T CA 1.581 63.638 62.100 -0.072 0.000 1.137 354 T CB -0.156 68.666 68.868 -0.076 0.000 0.879 354 T HN 0.512 nan 8.240 nan 0.000 0.467 355 K N 1.060 121.444 120.400 -0.026 0.000 2.792 355 K HA 0.434 -2.271 4.320 -11.709 0.000 0.207 355 K C -0.796 175.905 176.600 0.169 0.000 1.103 355 K CA -0.115 56.211 56.287 0.065 0.000 1.048 355 K CB 0.885 33.405 32.500 0.033 0.000 0.777 355 K HN 0.341 nan 8.250 nan 0.000 0.468 356 E N -0.023 120.248 120.200 0.119 0.000 2.407 356 E HA 0.283 -2.392 4.350 -11.709 0.000 0.279 356 E C -2.841 173.762 176.600 0.005 0.000 1.012 356 E CA -2.072 54.354 56.400 0.043 0.000 0.800 356 E CB 2.606 32.313 29.700 0.013 0.000 1.276 356 E HN -0.093 nan 8.360 nan 0.000 0.452 357 P HA 0.417 nan 4.420 nan 0.000 0.283 357 P C -0.763 176.488 177.300 -0.081 0.000 1.278 357 P CA -0.569 62.447 63.100 -0.139 0.000 0.834 357 P CB 1.061 32.515 31.700 -0.409 0.000 1.150 358 I N 0.961 121.561 120.570 0.050 0.000 2.359 358 I HA 0.277 -2.579 4.170 -11.709 0.000 0.294 358 I C -2.396 173.929 176.117 0.346 0.000 0.987 358 I CA -3.184 58.208 61.300 0.154 0.000 1.225 358 I CB 0.914 38.995 38.000 0.136 0.000 1.366 358 I HN 0.067 nan 8.210 nan 0.000 0.466 359 P HA 0.099 nan 4.420 nan 0.000 0.268 359 P C -0.307 177.166 177.300 0.289 0.000 1.541 359 P CA -0.083 63.307 63.100 0.483 0.000 1.093 359 P CB 0.155 32.116 31.700 0.435 0.000 1.551 360 V N 2.873 122.947 119.914 0.266 0.000 2.357 360 V HA 0.530 -2.376 4.120 -11.709 0.000 0.284 360 V C -0.363 175.828 176.094 0.163 0.000 1.018 360 V CA -1.128 61.282 62.300 0.182 0.000 0.841 360 V CB 1.320 33.243 31.823 0.167 0.000 0.991 360 V HN 0.161 nan 8.190 nan 0.000 0.437 361 L N 7.388 128.701 121.223 0.150 0.000 2.343 361 L HA 0.785 -1.901 4.340 -11.709 0.000 0.275 361 L C -2.484 174.464 176.870 0.130 0.000 1.056 361 L CA -1.848 53.079 54.840 0.145 0.000 0.804 361 L CB 1.705 43.868 42.059 0.174 0.000 1.203 361 L HN 0.458 nan 8.230 nan 0.000 0.440 362 P HA 0.253 nan 4.420 nan 0.000 0.276 362 P C -1.382 176.043 177.300 0.208 0.000 1.253 362 P CA -0.223 62.961 63.100 0.141 0.000 0.766 362 P CB 0.670 32.417 31.700 0.079 0.000 0.845 363 T N -0.352 114.341 114.554 0.232 0.000 2.916 363 T HA 0.433 -2.242 4.350 -11.709 0.000 0.292 363 T C -0.080 174.702 174.700 0.136 0.000 1.055 363 T CA -0.878 61.348 62.100 0.210 0.000 1.009 363 T CB 0.566 69.489 68.868 0.091 0.000 1.118 363 T HN -0.027 nan 8.240 nan 0.000 0.497 364 V N 2.505 122.352 119.914 -0.111 0.000 2.814 364 V HA 0.149 -2.756 4.120 -11.709 0.000 0.307 364 V C 1.111 177.117 176.094 -0.147 0.000 1.089 364 V CA 1.044 63.048 62.300 -0.493 0.000 1.212 364 V CB 0.348 31.764 31.823 -0.679 0.000 0.912 364 V HN 1.219 nan 8.190 nan 0.000 0.497 365 H N 2.939 121.868 119.070 -0.235 0.000 2.636 365 H HA 0.277 -2.193 4.556 -11.711 0.000 0.202 365 H C -0.520 174.812 175.328 0.007 0.000 0.870 365 H CA 0.020 56.035 56.048 -0.055 0.000 0.943 365 H CB 0.524 30.333 29.762 0.079 0.000 1.259 365 H HN 0.552 nan 8.280 nan 0.000 0.440 366 Y N 0.969 121.176 120.300 -0.154 0.000 2.524 366 Y HA 0.446 -2.031 4.550 -11.712 0.000 0.347 366 Y C -1.584 174.190 175.900 -0.211 0.000 1.005 366 Y CA -1.197 56.794 58.100 -0.181 0.000 1.025 366 Y CB 1.651 40.102 38.460 -0.017 0.000 1.275 366 Y HN 0.164 nan 8.280 nan 0.000 0.460 367 N N 6.102 124.261 118.700 -0.901 0.000 2.511 367 N HA 0.238 -2.047 4.740 -11.709 0.000 0.249 367 N C 0.525 175.732 175.510 -0.504 0.000 0.971 367 N CA -0.524 52.159 53.050 -0.611 0.000 0.938 367 N CB 1.127 39.178 38.487 -0.727 0.000 1.131 367 N HN 0.582 nan 8.380 nan 0.000 0.505 368 M N -0.125 119.461 119.600 -0.022 0.000 2.156 368 M HA 0.097 -2.449 4.480 -11.709 0.000 0.264 368 M C 1.291 177.669 176.300 0.130 0.000 1.067 368 M CA 0.582 55.998 55.300 0.194 0.000 1.131 368 M CB -1.067 31.690 32.600 0.263 0.000 1.368 368 M HN 0.436 nan 8.290 nan 0.000 0.416 369 G N 0.042 108.938 108.800 0.160 0.000 2.732 369 G HA2 0.414 -2.652 3.960 -11.709 0.000 0.244 369 G HA3 0.414 -2.652 3.960 -11.709 0.000 0.244 369 G C 0.321 175.292 174.900 0.118 0.000 1.226 369 G CA 0.292 45.491 45.100 0.165 0.000 0.860 369 G HN 0.649 nan 8.290 nan 0.000 0.583 370 G N -0.982 107.858 108.800 0.068 0.000 2.534 370 G HA2 0.224 -2.841 3.960 -11.709 0.000 0.142 370 G HA3 0.224 -2.841 3.960 -11.709 0.000 0.142 370 G C -0.866 174.009 174.900 -0.041 0.000 1.178 370 G CA -0.641 44.476 45.100 0.029 0.000 1.037 370 G HN 0.793 nan 8.290 nan 0.000 0.474 371 I N 3.168 123.706 120.570 -0.054 0.000 2.379 371 I HA 0.297 -2.559 4.170 -11.709 0.000 0.290 371 I C -2.118 173.942 176.117 -0.095 0.000 1.063 371 I CA -1.578 59.673 61.300 -0.081 0.000 1.351 371 I CB 1.521 39.478 38.000 -0.073 0.000 1.410 371 I HN 0.070 nan 8.210 nan 0.000 0.505 372 P HA 0.115 nan 4.420 nan 0.000 0.268 372 P C -0.659 176.577 177.300 -0.106 0.000 1.204 372 P CA 0.085 63.118 63.100 -0.113 0.000 0.768 372 P CB 0.660 32.301 31.700 -0.098 0.000 0.842 373 T N 2.082 116.567 114.554 -0.114 0.000 3.041 373 T HA 0.217 -2.459 4.350 -11.709 0.000 0.321 373 T C -0.198 174.439 174.700 -0.105 0.000 1.184 373 T CA -0.679 61.350 62.100 -0.119 0.000 1.050 373 T CB 1.003 69.783 68.868 -0.146 0.000 1.159 373 T HN 0.284 nan 8.240 nan 0.000 0.469 374 N N 0.427 119.065 118.700 -0.104 0.000 2.273 374 N HA -0.002 -2.287 4.740 -11.709 0.000 0.227 374 N C 1.003 176.461 175.510 -0.087 0.000 1.292 374 N CA 0.253 53.232 53.050 -0.117 0.000 0.875 374 N CB 0.410 38.772 38.487 -0.210 0.000 1.105 374 N HN 0.785 nan 8.380 nan 0.000 0.434 375 Y N -0.238 120.043 120.300 -0.033 0.000 2.616 375 Y HA 0.100 -2.376 4.550 -11.711 0.000 0.296 375 Y C 1.207 177.067 175.900 -0.067 0.000 1.154 375 Y CA 0.744 58.849 58.100 0.009 0.000 1.325 375 Y CB -0.004 38.429 38.460 -0.046 0.000 1.007 375 Y HN 0.327 nan 8.280 nan 0.000 0.542 376 K N 0.179 120.253 120.400 -0.543 0.000 2.379 376 K HA 0.267 -2.439 4.320 -11.709 0.000 0.194 376 K C 1.321 177.901 176.600 -0.034 0.000 1.031 376 K CA 0.598 56.652 56.287 -0.388 0.000 1.037 376 K CB 0.221 32.437 32.500 -0.473 0.000 0.824 376 K HN 0.580 nan 8.250 nan 0.000 0.516 377 G N 1.960 110.770 108.800 0.016 0.000 2.176 377 G HA2 -0.251 -3.316 3.960 -11.709 0.000 0.232 377 G HA3 -0.251 -3.316 3.960 -11.709 0.000 0.232 377 G C -0.268 174.736 174.900 0.173 0.000 0.986 377 G CA -0.291 44.886 45.100 0.128 0.000 0.643 377 G HN 0.324 nan 8.290 nan 0.000 0.522 378 Q N 0.712 120.515 119.800 0.005 0.000 2.293 378 Q HA 0.479 -2.207 4.340 -11.709 0.000 0.263 378 Q C 0.478 176.344 176.000 -0.223 0.000 1.002 378 Q CA -0.433 55.204 55.803 -0.278 0.000 0.910 378 Q CB 2.148 30.726 28.738 -0.267 0.000 1.185 378 Q HN 0.186 nan 8.270 nan 0.000 0.401 379 V N 4.974 124.729 119.914 -0.266 0.000 2.585 379 V HA 0.000 -2.906 4.120 -11.709 0.000 0.296 379 V C 0.390 176.400 176.094 -0.141 0.000 1.035 379 V CA 0.307 62.505 62.300 -0.170 0.000 1.084 379 V CB 0.027 31.755 31.823 -0.158 0.000 0.953 379 V HN 0.591 nan 8.190 nan 0.000 0.483 380 L N 6.572 127.738 121.223 -0.096 0.000 2.325 380 L HA 0.664 -2.022 4.340 -11.709 0.000 0.279 380 L C 0.433 177.288 176.870 -0.025 0.000 1.054 380 L CA -0.560 54.248 54.840 -0.055 0.000 0.804 380 L CB 1.278 43.323 42.059 -0.024 0.000 1.200 380 L HN 0.752 nan 8.230 nan 0.000 0.436 381 R N -0.168 120.336 120.500 0.007 0.000 2.902 381 R HA 0.513 -2.172 4.340 -11.709 0.000 0.258 381 R C -0.960 175.419 176.300 0.131 0.000 1.071 381 R CA -0.940 55.198 56.100 0.064 0.000 1.024 381 R CB 1.300 31.629 30.300 0.048 0.000 1.184 381 R HN 0.496 nan 8.270 nan 0.000 0.492 382 H N 0.719 119.831 119.070 0.068 0.000 2.530 382 H HA 0.347 -2.119 4.556 -11.703 0.000 0.246 382 H C -1.423 173.933 175.328 0.046 0.000 1.346 382 H CA -0.456 55.632 56.048 0.067 0.000 1.424 382 H CB 0.756 30.583 29.762 0.109 0.000 1.445 382 H HN 0.370 nan 8.280 nan 0.000 0.511 383 V N 5.157 124.983 119.914 -0.146 0.000 2.364 383 V HA 0.123 -2.783 4.120 -11.709 0.000 0.272 383 V C 0.823 176.778 176.094 -0.232 0.000 1.036 383 V CA -0.599 61.615 62.300 -0.143 0.000 0.880 383 V CB 0.873 32.646 31.823 -0.083 0.000 0.991 383 V HN 1.081 nan 8.190 nan 0.000 0.460 384 N N 4.249 122.824 118.700 -0.208 0.000 2.746 384 N HA -0.200 -2.486 4.740 -11.709 0.000 0.250 384 N C 1.058 176.415 175.510 -0.254 0.000 1.055 384 N CA 0.738 53.680 53.050 -0.179 0.000 0.699 384 N CB -0.742 37.673 38.487 -0.120 0.000 0.919 384 N HN 1.460 nan 8.380 nan 0.000 0.548 385 G N -0.300 108.266 108.800 -0.391 0.000 2.200 385 G HA2 -0.343 -3.409 3.960 -11.709 0.000 0.268 385 G HA3 -0.343 -3.409 3.960 -11.709 0.000 0.268 385 G C -0.018 174.643 174.900 -0.400 0.000 0.986 385 G CA 1.336 46.221 45.100 -0.358 0.000 0.677 385 G HN 0.680 nan 8.290 nan 0.000 0.532 386 Q N -0.207 119.307 119.800 -0.477 0.000 2.387 386 Q HA 0.500 -2.186 4.340 -11.709 0.000 0.273 386 Q C -0.906 174.991 176.000 -0.173 0.000 1.089 386 Q CA -1.097 54.574 55.803 -0.221 0.000 0.824 386 Q CB 1.377 30.033 28.738 -0.136 0.000 1.367 386 Q HN 0.216 nan 8.270 nan 0.000 0.443 387 D N 1.452 121.842 120.400 -0.017 0.000 2.358 387 D HA 0.183 -2.202 4.640 -11.709 0.000 0.244 387 D C -0.673 175.619 176.300 -0.013 0.000 1.163 387 D CA 0.198 54.218 54.000 0.034 0.000 0.945 387 D CB 0.769 41.607 40.800 0.063 0.000 1.152 387 D HN 0.250 nan 8.370 nan 0.000 0.451 388 Q N 0.145 119.940 119.800 -0.009 0.000 2.364 388 Q HA 0.279 -2.407 4.340 -11.709 0.000 0.257 388 Q C -1.718 174.255 176.000 -0.045 0.000 0.956 388 Q CA -0.597 55.188 55.803 -0.031 0.000 0.924 388 Q CB 1.843 30.560 28.738 -0.035 0.000 1.413 388 Q HN 0.185 nan 8.270 nan 0.000 0.418 389 V N 3.439 123.315 119.914 -0.064 0.000 2.521 389 V HA 0.098 -2.807 4.120 -11.709 0.000 0.286 389 V C 0.205 176.235 176.094 -0.107 0.000 1.034 389 V CA -0.173 62.066 62.300 -0.103 0.000 1.045 389 V CB 1.045 32.798 31.823 -0.116 0.000 0.974 389 V HN 0.538 nan 8.190 nan 0.000 0.480 390 V N 8.618 128.453 119.914 -0.132 0.000 2.470 390 V HA 0.158 -2.747 4.120 -11.709 0.000 0.276 390 V C -2.005 173.989 176.094 -0.166 0.000 1.040 390 V CA -1.322 60.902 62.300 -0.127 0.000 1.008 390 V CB 0.787 32.536 31.823 -0.125 0.000 0.990 390 V HN 0.787 nan 8.190 nan 0.000 0.477 391 P HA 0.258 nan 4.420 nan 0.000 0.271 391 P C 0.752 177.985 177.300 -0.112 0.000 1.226 391 P CA 0.771 63.805 63.100 -0.110 0.000 0.765 391 P CB 0.770 32.432 31.700 -0.062 0.000 0.835 392 G N 2.050 110.776 108.800 -0.124 0.000 2.246 392 G HA2 -0.173 -3.238 3.960 -11.709 0.000 0.273 392 G HA3 -0.173 -3.238 3.960 -11.709 0.000 0.273 392 G C -0.563 174.284 174.900 -0.089 0.000 1.055 392 G CA -0.113 44.955 45.100 -0.053 0.000 0.851 392 G HN 0.575 nan 8.290 nan 0.000 0.500 393 L N -0.421 120.636 121.223 -0.278 0.000 2.470 393 L HA 0.866 -1.819 4.340 -11.709 0.000 0.268 393 L C -1.083 175.515 176.870 -0.454 0.000 0.964 393 L CA -1.942 52.760 54.840 -0.229 0.000 0.839 393 L CB 1.394 43.349 42.059 -0.173 0.000 1.276 393 L HN 0.145 nan 8.230 nan 0.000 0.403 394 Y N 2.881 123.135 120.300 -0.076 0.000 2.576 394 Y HA 0.905 -1.571 4.550 -11.709 0.000 0.346 394 Y C -0.072 175.784 175.900 -0.073 0.000 1.018 394 Y CA -0.460 57.593 58.100 -0.079 0.000 1.050 394 Y CB 2.496 40.905 38.460 -0.084 0.000 1.280 394 Y HN 0.781 nan 8.280 nan 0.000 0.474 395 A N 0.879 123.760 122.820 0.101 0.000 2.486 395 A HA 0.866 -1.840 4.320 -11.709 0.000 0.300 395 A C -1.342 176.264 177.584 0.036 0.000 1.048 395 A CA -0.667 51.390 52.037 0.033 0.000 0.696 395 A CB 0.606 19.593 19.000 -0.022 0.000 1.278 395 A HN 1.054 nan 8.150 nan 0.000 0.405 396 C N -0.104 119.219 119.300 0.039 0.000 3.086 396 C HA 1.010 -1.556 4.460 -11.709 0.000 0.311 396 C C 0.807 175.847 174.990 0.083 0.000 1.260 396 C CA -0.100 58.962 59.018 0.073 0.000 1.426 396 C CB 0.854 28.671 27.740 0.129 0.000 1.826 396 C HN 2.977 nan 8.230 nan 0.000 0.474 397 G N 1.184 110.060 108.800 0.128 0.000 2.553 397 G HA2 -0.216 -3.281 3.960 -11.709 0.000 0.242 397 G HA3 -0.216 -3.281 3.960 -11.709 0.000 0.242 397 G C 0.513 175.486 174.900 0.121 0.000 1.277 397 G CA 0.749 45.945 45.100 0.161 0.000 0.910 397 G HN 1.165 nan 8.290 nan 0.000 0.576 398 E N 0.102 120.356 120.200 0.090 0.000 2.204 398 E HA 0.068 -2.608 4.350 -11.709 0.000 0.194 398 E C 2.868 179.431 176.600 -0.061 0.000 0.989 398 E CA 1.534 57.910 56.400 -0.040 0.000 0.824 398 E CB -0.337 29.288 29.700 -0.125 0.000 0.756 398 E HN 0.813 nan 8.360 nan 0.000 0.477 399 A N 1.108 123.924 122.820 -0.007 0.000 1.930 399 A HA 0.087 -2.619 4.320 -11.709 0.000 0.217 399 A C 1.400 178.983 177.584 -0.002 0.000 1.175 399 A CA 1.127 53.166 52.037 0.003 0.000 0.627 399 A CB -0.323 18.677 19.000 -0.000 0.000 0.815 399 A HN 0.312 nan 8.150 nan 0.000 0.443 400 A N -1.865 120.951 122.820 -0.007 0.000 2.259 400 A HA 0.479 -2.227 4.320 -11.709 0.000 0.278 400 A C 0.031 177.593 177.584 -0.035 0.000 1.107 400 A CA 0.273 52.289 52.037 -0.034 0.000 0.828 400 A CB 0.295 19.263 19.000 -0.054 0.000 1.111 400 A HN 0.954 nan 8.150 nan 0.000 0.498 401 C N 0.422 119.674 119.300 -0.080 0.000 3.233 401 C HA 0.600 -1.966 4.460 -11.709 0.000 0.299 401 C C 1.121 176.010 174.990 -0.169 0.000 1.060 401 C CA -0.045 58.917 59.018 -0.094 0.000 1.382 401 C CB -0.484 27.211 27.740 -0.076 0.000 1.828 401 C HN 1.050 nan 8.230 nan 0.000 0.530 402 A N 2.267 124.941 122.820 -0.243 0.000 2.169 402 A HA 0.267 -2.439 4.320 -11.709 0.000 0.212 402 A C 1.360 178.827 177.584 -0.194 0.000 1.153 402 A CA 1.131 53.005 52.037 -0.273 0.000 0.756 402 A CB -0.300 18.385 19.000 -0.524 0.000 0.813 402 A HN 1.689 nan 8.150 nan 0.000 0.471 403 S N -1.488 114.111 115.700 -0.169 0.000 3.484 403 S HA -0.139 -2.695 4.470 -11.709 0.000 0.384 403 S C 0.764 175.313 174.600 -0.085 0.000 0.932 403 S CA 0.504 58.646 58.200 -0.096 0.000 1.293 403 S CB -1.440 61.679 63.200 -0.135 0.000 0.919 403 S HN 0.883 nan 8.310 nan 0.000 0.540 404 V N 2.177 121.970 119.914 -0.201 0.000 3.217 404 V HA -0.026 -2.932 4.120 -11.709 0.000 0.264 404 V C 1.723 177.649 176.094 -0.281 0.000 1.135 404 V CA 1.626 63.801 62.300 -0.208 0.000 1.142 404 V CB -0.194 31.506 31.823 -0.206 0.000 0.754 404 V HN 0.831 nan 8.190 nan 0.000 0.484 405 H N -0.822 118.262 119.070 0.023 0.000 2.545 405 H HA 0.376 -2.095 4.556 -11.712 0.000 0.283 405 H C 1.618 176.925 175.328 -0.036 0.000 0.997 405 H CA 0.783 56.835 56.048 0.007 0.000 1.269 405 H CB 0.334 30.139 29.762 0.073 0.000 1.451 405 H HN 0.450 nan 8.280 nan 0.000 0.508 406 G N 1.157 109.996 108.800 0.065 0.000 2.561 406 G HA2 -0.375 -3.441 3.960 -11.709 0.000 0.289 406 G HA3 -0.375 -3.441 3.960 -11.709 0.000 0.289 406 G C 1.211 175.990 174.900 -0.201 0.000 1.169 406 G CA 1.319 46.395 45.100 -0.040 0.000 0.980 406 G HN 0.611 nan 8.290 nan 0.000 0.550 407 A N 0.337 122.982 122.820 -0.290 0.000 2.218 407 A HA 0.466 -2.240 4.320 -11.709 0.000 0.209 407 A C 0.939 178.502 177.584 -0.034 0.000 1.168 407 A CA 1.648 53.409 52.037 -0.460 0.000 0.804 407 A CB -0.215 18.602 19.000 -0.306 0.000 0.834 407 A HN 1.421 nan 8.150 nan 0.000 0.482 408 N N -0.206 118.495 118.700 0.001 0.000 2.839 408 N HA 0.054 -2.232 4.740 -11.709 0.000 0.258 408 N C -1.186 174.337 175.510 0.022 0.000 1.150 408 N CA -0.456 52.624 53.050 0.049 0.000 0.957 408 N CB 1.008 39.520 38.487 0.042 0.000 1.560 408 N HN 0.322 nan 8.380 nan 0.000 0.588 409 R N 3.689 124.186 120.500 -0.006 0.000 2.421 409 R HA 0.137 -2.549 4.340 -11.709 0.000 0.305 409 R C -0.414 175.833 176.300 -0.088 0.000 1.039 409 R CA -0.290 55.742 56.100 -0.115 0.000 1.003 409 R CB 0.434 30.375 30.300 -0.598 0.000 0.959 409 R HN 0.438 nan 8.270 nan 0.000 0.427 410 L N 4.481 125.699 121.223 -0.008 0.000 2.416 410 L HA 0.226 -2.459 4.340 -11.709 0.000 0.272 410 L C 0.558 177.435 176.870 0.012 0.000 1.161 410 L CA 0.818 55.660 54.840 0.005 0.000 0.845 410 L CB 1.006 43.098 42.059 0.054 0.000 1.119 410 L HN 0.833 nan 8.230 nan 0.000 0.464 411 G N 3.973 112.819 108.800 0.078 0.000 2.353 411 G HA2 0.401 -2.665 3.960 -11.709 0.000 0.239 411 G HA3 0.401 -2.665 3.960 -11.709 0.000 0.239 411 G C 0.601 175.468 174.900 -0.055 0.000 1.295 411 G CA 0.186 45.407 45.100 0.201 0.000 0.884 411 G HN 1.729 nan 8.290 nan 0.000 0.537 412 A N 1.783 124.467 122.820 -0.226 0.000 3.061 412 A HA -0.161 -2.867 4.320 -11.709 0.000 0.244 412 A C 1.400 178.898 177.584 -0.142 0.000 1.357 412 A CA 1.141 52.937 52.037 -0.402 0.000 0.889 412 A CB -1.801 16.617 19.000 -0.970 0.000 1.092 412 A HN 0.656 nan 8.150 nan 0.000 0.694 413 N N -1.146 117.539 118.700 -0.025 0.000 2.332 413 N HA 0.138 -2.147 4.740 -11.709 0.000 0.190 413 N C 1.610 177.244 175.510 0.207 0.000 1.117 413 N CA 1.028 54.154 53.050 0.128 0.000 0.883 413 N CB 0.264 38.884 38.487 0.222 0.000 1.089 413 N HN 0.520 nan 8.380 nan 0.000 0.480 414 S N 0.366 116.116 115.700 0.084 0.000 2.406 414 S HA 0.141 -2.414 4.470 -11.709 0.000 0.228 414 S C 1.793 176.510 174.600 0.194 0.000 1.020 414 S CA 0.509 58.809 58.200 0.167 0.000 0.965 414 S CB -0.100 63.140 63.200 0.066 0.000 0.798 414 S HN 0.209 nan 8.310 nan 0.000 0.488 415 L N 0.692 121.989 121.223 0.123 0.000 2.046 415 L HA -0.102 -2.788 4.340 -11.709 0.000 0.208 415 L C 2.425 179.376 176.870 0.136 0.000 1.077 415 L CA 1.085 55.996 54.840 0.118 0.000 0.747 415 L CB -0.462 41.644 42.059 0.077 0.000 0.896 415 L HN 0.380 nan 8.230 nan 0.000 0.432 416 L N 0.228 121.532 121.223 0.134 0.000 2.027 416 L HA -0.232 -2.918 4.340 -11.709 0.000 0.206 416 L C 2.189 179.159 176.870 0.166 0.000 1.074 416 L CA 2.016 56.933 54.840 0.129 0.000 0.745 416 L CB -0.659 41.478 42.059 0.131 0.000 0.898 416 L HN 0.238 nan 8.230 nan 0.000 0.433 417 D N -0.360 120.197 120.400 0.263 0.000 2.154 417 D HA -0.274 -2.660 4.640 -11.709 0.000 0.190 417 D C 2.108 178.639 176.300 0.386 0.000 1.003 417 D CA 2.050 56.295 54.000 0.409 0.000 0.849 417 D CB -0.278 40.822 40.800 0.499 0.000 0.942 417 D HN 0.246 nan 8.370 nan 0.000 0.446 418 L N 0.131 121.521 121.223 0.278 0.000 1.978 418 L HA -0.204 -2.890 4.340 -11.709 0.000 0.218 418 L C 2.848 179.826 176.870 0.180 0.000 1.075 418 L CA 1.382 56.354 54.840 0.219 0.000 0.767 418 L CB -1.172 40.993 42.059 0.175 0.000 0.890 418 L HN 0.086 nan 8.230 nan 0.000 0.434 419 V N -1.516 118.481 119.914 0.139 0.000 2.307 419 V HA -0.232 -3.138 4.120 -11.709 0.000 0.245 419 V C 2.406 178.513 176.094 0.021 0.000 1.045 419 V CA 1.383 63.740 62.300 0.094 0.000 1.024 419 V CB -0.474 31.403 31.823 0.091 0.000 0.651 419 V HN 0.260 nan 8.190 nan 0.000 0.449 420 V N -0.529 119.356 119.914 -0.049 0.000 2.255 420 V HA -0.251 -3.156 4.120 -11.709 0.000 0.247 420 V C 2.106 178.057 176.094 -0.238 0.000 1.051 420 V CA 2.263 64.416 62.300 -0.245 0.000 1.018 420 V CB -0.783 30.748 31.823 -0.488 0.000 0.641 420 V HN 0.496 nan 8.190 nan 0.000 0.445 421 F N 0.709 120.719 119.950 0.099 0.000 2.780 421 F HA 0.244 -2.253 4.527 -11.707 0.000 0.299 421 F C 2.126 177.938 175.800 0.020 0.000 1.146 421 F CA 0.589 58.638 58.000 0.081 0.000 1.428 421 F CB -0.676 38.374 39.000 0.084 0.000 1.115 421 F HN 0.159 nan 8.300 nan 0.000 0.583 422 G N 0.457 109.336 108.800 0.131 0.000 2.556 422 G HA2 -0.224 -3.289 3.960 -11.709 0.000 0.215 422 G HA3 -0.224 -3.289 3.960 -11.709 0.000 0.215 422 G C 1.705 176.572 174.900 -0.056 0.000 1.258 422 G CA 0.554 45.671 45.100 0.028 0.000 0.811 422 G HN 0.177 nan 8.290 nan 0.000 0.557 423 R N 0.587 121.041 120.500 -0.075 0.000 2.189 423 R HA -0.272 -2.957 4.340 -11.709 0.000 0.252 423 R C 2.748 178.991 176.300 -0.095 0.000 1.134 423 R CA 2.283 58.318 56.100 -0.109 0.000 0.954 423 R CB -0.691 29.558 30.300 -0.085 0.000 0.890 423 R HN 0.317 nan 8.270 nan 0.000 0.443 424 A N 0.255 123.058 122.820 -0.028 0.000 1.883 424 A HA -0.216 -2.921 4.320 -11.709 0.000 0.217 424 A C 2.594 180.111 177.584 -0.112 0.000 1.186 424 A CA 1.737 53.773 52.037 -0.002 0.000 0.624 424 A CB -1.080 17.982 19.000 0.102 0.000 0.822 424 A HN 0.659 nan 8.150 nan 0.000 0.444 425 C N -1.131 118.091 119.300 -0.129 0.000 2.411 425 C HA 0.012 -2.554 4.460 -11.709 0.000 0.279 425 C C 3.272 177.955 174.990 -0.512 0.000 1.288 425 C CA 0.813 59.622 59.018 -0.349 0.000 1.764 425 C CB -1.431 26.167 27.740 -0.237 0.000 1.974 425 C HN 0.695 nan 8.230 nan 0.000 0.498 426 A N 0.451 123.057 122.820 -0.357 0.000 1.840 426 A HA -0.051 -2.757 4.320 -11.709 0.000 0.214 426 A C 2.023 179.390 177.584 -0.363 0.000 1.198 426 A CA 1.381 53.182 52.037 -0.392 0.000 0.608 426 A CB -0.667 18.141 19.000 -0.321 0.000 0.839 426 A HN 0.541 nan 8.150 nan 0.000 0.443 427 L N -0.298 120.782 121.223 -0.239 0.000 2.079 427 L HA -0.187 -2.872 4.340 -11.709 0.000 0.210 427 L C 2.795 179.563 176.870 -0.170 0.000 1.081 427 L CA 1.461 56.204 54.840 -0.162 0.000 0.752 427 L CB -0.546 41.463 42.059 -0.084 0.000 0.896 427 L HN 0.304 nan 8.230 nan 0.000 0.433 428 S N -0.095 115.471 115.700 -0.223 0.000 2.370 428 S HA -0.133 -2.689 4.470 -11.709 0.000 0.226 428 S C 1.950 176.436 174.600 -0.190 0.000 1.033 428 S CA 1.387 59.473 58.200 -0.189 0.000 1.011 428 S CB -0.243 62.840 63.200 -0.195 0.000 0.852 428 S HN 0.286 nan 8.310 nan 0.000 0.457 429 I N 1.263 121.610 120.570 -0.372 0.000 2.193 429 I HA -0.124 -2.980 4.170 -11.709 0.000 0.240 429 I C 2.654 178.643 176.117 -0.212 0.000 1.084 429 I CA 0.971 62.079 61.300 -0.321 0.000 1.365 429 I CB -0.539 37.129 38.000 -0.554 0.000 1.064 429 I HN 0.236 nan 8.210 nan 0.000 0.410 430 A N 0.317 122.957 122.820 -0.299 0.000 2.042 430 A HA -0.252 -2.958 4.320 -11.709 0.000 0.222 430 A C 2.005 179.632 177.584 0.072 0.000 1.167 430 A CA 2.051 54.068 52.037 -0.034 0.000 0.649 430 A CB -0.574 18.391 19.000 -0.058 0.000 0.809 430 A HN 0.560 nan 8.150 nan 0.000 0.457 431 E N -1.188 119.013 120.200 0.002 0.000 2.498 431 E HA 0.053 -2.623 4.350 -11.709 0.000 0.203 431 E C 1.383 177.999 176.600 0.028 0.000 1.013 431 E CA 0.485 56.897 56.400 0.020 0.000 0.927 431 E CB 0.371 30.070 29.700 -0.001 0.000 1.012 431 E HN 0.656 nan 8.360 nan 0.000 0.482 432 S N -0.490 115.232 115.700 0.036 0.000 2.559 432 S HA 0.141 -2.415 4.470 -11.709 0.000 0.226 432 S C 0.413 175.055 174.600 0.070 0.000 1.000 432 S CA -0.193 58.035 58.200 0.047 0.000 0.948 432 S CB -0.172 63.060 63.200 0.053 0.000 0.870 432 S HN 0.349 nan 8.310 nan 0.000 0.497 433 C N -0.216 119.148 119.300 0.107 0.000 3.259 433 C HA 0.760 -1.805 4.460 -11.709 0.000 0.344 433 C C -1.235 173.853 174.990 0.164 0.000 1.401 433 C CA -1.076 58.015 59.018 0.123 0.000 1.219 433 C CB 0.840 28.661 27.740 0.136 0.000 1.521 433 C HN 0.270 nan 8.230 nan 0.000 0.455 434 R N 0.942 121.486 120.500 0.073 0.000 2.598 434 R HA 0.703 -1.983 4.340 -11.709 0.000 0.279 434 R C -2.767 173.415 176.300 -0.197 0.000 0.984 434 R CA -1.936 54.137 56.100 -0.045 0.000 0.999 434 R CB 1.047 31.309 30.300 -0.063 0.000 1.114 434 R HN 0.583 nan 8.270 nan 0.000 0.493 435 P HA 0.107 nan 4.420 nan 0.000 0.271 435 P C 0.356 177.489 177.300 -0.278 0.000 1.218 435 P CA 0.309 63.005 63.100 -0.673 0.000 0.780 435 P CB 0.549 31.676 31.700 -0.954 0.000 0.901 436 G N 0.861 109.562 108.800 -0.164 0.000 2.147 436 G HA2 -0.189 -3.254 3.960 -11.709 0.000 0.244 436 G HA3 -0.189 -3.254 3.960 -11.709 0.000 0.244 436 G C -0.045 174.822 174.900 -0.054 0.000 1.005 436 G CA -0.242 44.805 45.100 -0.089 0.000 0.713 436 G HN 0.470 nan 8.290 nan 0.000 0.515 437 D N -0.161 120.218 120.400 -0.034 0.000 2.383 437 D HA 0.311 -2.075 4.640 -11.709 0.000 0.248 437 D C 0.882 177.186 176.300 0.007 0.000 1.170 437 D CA -0.378 53.618 54.000 -0.007 0.000 0.977 437 D CB 0.466 41.276 40.800 0.015 0.000 1.120 437 D HN 0.250 nan 8.370 nan 0.000 0.481 438 K N 0.876 121.281 120.400 0.009 0.000 2.405 438 K HA 0.034 -2.671 4.320 -11.709 0.000 0.276 438 K C -0.894 175.719 176.600 0.022 0.000 1.099 438 K CA -0.134 56.159 56.287 0.010 0.000 1.120 438 K CB -0.061 32.444 32.500 0.007 0.000 0.877 438 K HN 0.102 nan 8.250 nan 0.000 0.472 439 V N 8.155 128.082 119.914 0.022 0.000 2.415 439 V HA 0.098 -2.807 4.120 -11.709 0.000 0.267 439 V C -1.882 174.226 176.094 0.022 0.000 1.042 439 V CA -1.530 60.789 62.300 0.032 0.000 1.000 439 V CB 0.358 32.202 31.823 0.034 0.000 1.015 439 V HN 0.799 nan 8.190 nan 0.000 0.478 440 P HA 0.175 nan 4.420 nan 0.000 0.268 440 P C 0.230 177.537 177.300 0.012 0.000 1.205 440 P CA -0.088 63.020 63.100 0.014 0.000 0.771 440 P CB 0.460 32.167 31.700 0.012 0.000 0.858 441 S N 2.311 118.014 115.700 0.006 0.000 2.617 441 S HA 0.386 -2.170 4.470 -11.709 0.000 0.255 441 S C 0.070 174.672 174.600 0.003 0.000 1.318 441 S CA -0.215 57.987 58.200 0.004 0.000 0.978 441 S CB 0.132 63.332 63.200 0.000 0.000 0.961 441 S HN 0.466 nan 8.310 nan 0.000 0.582 442 I N -0.631 119.939 120.570 0.001 0.000 2.752 442 I HA 0.413 -2.443 4.170 -11.709 0.000 0.295 442 I C -1.246 174.869 176.117 -0.003 0.000 1.219 442 I CA -0.766 60.533 61.300 -0.001 0.000 1.030 442 I CB 2.015 40.016 38.000 0.002 0.000 1.259 442 I HN 0.723 nan 8.210 nan 0.000 0.423 443 K N 7.448 127.845 120.400 -0.005 0.000 2.448 443 K HA 0.162 -2.544 4.320 -11.709 0.000 0.278 443 K C -1.851 174.746 176.600 -0.006 0.000 1.009 443 K CA -0.731 55.553 56.287 -0.006 0.000 0.995 443 K CB 0.101 32.597 32.500 -0.007 0.000 0.917 443 K HN 0.371 nan 8.250 nan 0.000 0.481 444 P HA -0.192 nan 4.420 nan 0.000 0.219 444 P C -0.261 177.036 177.300 -0.005 0.000 1.146 444 P CA 1.285 64.382 63.100 -0.005 0.000 0.808 444 P CB 0.115 31.812 31.700 -0.004 0.000 0.779 445 N N -1.603 117.094 118.700 -0.005 0.000 2.401 445 N HA 0.320 -1.966 4.740 -11.709 0.000 0.264 445 N C -0.220 175.286 175.510 -0.008 0.000 1.238 445 N CA -0.345 52.702 53.050 -0.005 0.000 0.889 445 N CB 0.757 39.242 38.487 -0.002 0.000 1.196 445 N HN -0.065 nan 8.380 nan 0.000 0.511 446 A N 0.336 123.151 122.820 -0.009 0.000 2.401 446 A HA 0.581 -2.125 4.320 -11.709 0.000 0.259 446 A C 1.410 178.986 177.584 -0.014 0.000 1.103 446 A CA 0.496 52.527 52.037 -0.011 0.000 0.789 446 A CB 0.003 18.997 19.000 -0.009 0.000 1.035 446 A HN 0.530 nan 8.150 nan 0.000 0.491 447 G N 1.355 110.145 108.800 -0.017 0.000 2.175 447 G HA2 -0.278 -3.344 3.960 -11.709 0.000 0.244 447 G HA3 -0.278 -3.344 3.960 -11.709 0.000 0.244 447 G C 0.852 175.734 174.900 -0.030 0.000 0.982 447 G CA 0.812 45.898 45.100 -0.023 0.000 0.641 447 G HN 0.905 nan 8.290 nan 0.000 0.527 448 E N 0.194 120.380 120.200 -0.024 0.000 2.164 448 E HA -0.270 -2.946 4.350 -11.709 0.000 0.206 448 E C 2.162 178.743 176.600 -0.030 0.000 1.032 448 E CA 1.789 58.175 56.400 -0.023 0.000 0.832 448 E CB -0.059 29.633 29.700 -0.012 0.000 0.742 448 E HN 0.635 nan 8.360 nan 0.000 0.460 449 E N -0.077 120.107 120.200 -0.026 0.000 2.077 449 E HA -0.139 -2.815 4.350 -11.709 0.000 0.193 449 E C 2.256 178.834 176.600 -0.037 0.000 0.989 449 E CA 1.186 57.571 56.400 -0.025 0.000 0.800 449 E CB -0.198 29.491 29.700 -0.019 0.000 0.746 449 E HN 0.206 nan 8.360 nan 0.000 0.452 450 S N 0.818 116.491 115.700 -0.045 0.000 2.355 450 S HA -0.091 -2.646 4.470 -11.709 0.000 0.222 450 S C 2.391 176.931 174.600 -0.100 0.000 1.031 450 S CA 1.117 59.285 58.200 -0.055 0.000 0.993 450 S CB -0.325 62.848 63.200 -0.045 0.000 0.859 450 S HN 0.057 nan 8.310 nan 0.000 0.453 451 V N 2.172 122.003 119.914 -0.138 0.000 2.332 451 V HA -0.219 -3.124 4.120 -11.709 0.000 0.248 451 V C 2.316 178.282 176.094 -0.214 0.000 1.055 451 V CA 1.797 63.937 62.300 -0.267 0.000 1.038 451 V CB -0.762 30.904 31.823 -0.262 0.000 0.651 451 V HN 0.415 nan 8.190 nan 0.000 0.450 452 M N 0.303 119.845 119.600 -0.096 0.000 2.108 452 M HA -0.208 -2.754 4.480 -11.709 0.000 0.261 452 M C 2.335 178.616 176.300 -0.031 0.000 1.066 452 M CA 2.002 57.281 55.300 -0.034 0.000 1.107 452 M CB -0.591 32.001 32.600 -0.014 0.000 1.356 452 M HN 0.503 nan 8.290 nan 0.000 0.406 453 N N 0.569 119.241 118.700 -0.047 0.000 2.244 453 N HA -0.156 -2.441 4.740 -11.709 0.000 0.183 453 N C 1.728 177.205 175.510 -0.055 0.000 1.016 453 N CA 0.854 53.880 53.050 -0.040 0.000 0.866 453 N CB 0.028 38.495 38.487 -0.033 0.000 0.980 453 N HN 0.300 nan 8.380 nan 0.000 0.430 454 L N 1.531 122.696 121.223 -0.097 0.000 2.046 454 L HA -0.154 -2.839 4.340 -11.709 0.000 0.208 454 L C 1.771 178.590 176.870 -0.085 0.000 1.077 454 L CA 1.867 56.632 54.840 -0.127 0.000 0.747 454 L CB -1.223 40.691 42.059 -0.242 0.000 0.896 454 L HN 0.126 nan 8.230 nan 0.000 0.432 455 D N -0.349 120.031 120.400 -0.032 0.000 2.144 455 D HA -0.197 -2.583 4.640 -11.709 0.000 0.200 455 D C 2.141 178.519 176.300 0.129 0.000 0.978 455 D CA 0.940 55.022 54.000 0.137 0.000 0.833 455 D CB 0.283 41.249 40.800 0.276 0.000 0.961 455 D HN 0.039 nan 8.370 nan 0.000 0.470 456 K N -0.420 120.021 120.400 0.068 0.000 2.057 456 K HA -0.042 -2.747 4.320 -11.709 0.000 0.207 456 K C 1.876 178.485 176.600 0.015 0.000 1.049 456 K CA 0.689 57.007 56.287 0.052 0.000 0.931 456 K CB -0.300 32.208 32.500 0.013 0.000 0.714 456 K HN 0.069 nan 8.250 nan 0.000 0.440 457 L N 0.540 121.747 121.223 -0.027 0.000 2.313 457 L HA 0.050 -2.636 4.340 -11.709 0.000 0.214 457 L C 2.303 179.120 176.870 -0.087 0.000 1.119 457 L CA 1.163 55.969 54.840 -0.058 0.000 0.809 457 L CB -0.316 41.700 42.059 -0.071 0.000 0.933 457 L HN 0.132 nan 8.230 nan 0.000 0.449 458 R N -0.663 119.760 120.500 -0.128 0.000 2.062 458 R HA -0.032 -2.718 4.340 -11.709 0.000 0.226 458 R C 1.315 177.429 176.300 -0.309 0.000 1.125 458 R CA 1.302 57.238 56.100 -0.273 0.000 0.966 458 R CB -0.291 29.760 30.300 -0.414 0.000 0.861 458 R HN 0.318 nan 8.270 nan 0.000 0.433 459 F N 1.189 121.140 119.950 0.002 0.000 2.701 459 F HA 0.343 -2.156 4.527 -11.709 0.000 0.295 459 F C 0.638 176.410 175.800 -0.047 0.000 1.165 459 F CA -0.496 57.494 58.000 -0.017 0.000 1.399 459 F CB 0.313 39.311 39.000 -0.004 0.000 0.996 459 F HN -0.024 nan 8.300 nan 0.000 0.513 460 A N 1.311 124.160 122.820 0.048 0.000 2.473 460 A HA 0.045 -2.661 4.320 -11.709 0.000 0.282 460 A C 0.276 177.817 177.584 -0.073 0.000 1.163 460 A CA -0.037 51.991 52.037 -0.015 0.000 0.827 460 A CB -0.539 18.430 19.000 -0.051 0.000 1.098 460 A HN 0.551 nan 8.150 nan 0.000 0.515 461 N N 2.748 121.415 118.700 -0.056 0.000 3.114 461 N HA 0.402 -1.884 4.740 -11.709 0.000 0.289 461 N C 0.744 176.207 175.510 -0.077 0.000 1.519 461 N CA 0.092 53.082 53.050 -0.100 0.000 1.026 461 N CB 0.250 38.701 38.487 -0.061 0.000 1.306 461 N HN 0.712 nan 8.380 nan 0.000 0.495 462 G N -0.993 107.758 108.800 -0.082 0.000 2.666 462 G HA2 0.034 -3.032 3.960 -11.709 0.000 0.207 462 G HA3 0.034 -3.032 3.960 -11.709 0.000 0.207 462 G C 0.636 175.529 174.900 -0.012 0.000 1.481 462 G CA 0.104 45.190 45.100 -0.024 0.000 1.071 462 G HN 0.277 nan 8.290 nan 0.000 0.572 463 T N -1.617 112.963 114.554 0.042 0.000 2.964 463 T HA 0.289 -2.386 4.350 -11.709 0.000 0.249 463 T C 0.703 175.416 174.700 0.021 0.000 1.000 463 T CA -0.255 61.863 62.100 0.031 0.000 0.992 463 T CB -0.153 68.736 68.868 0.036 0.000 1.087 463 T HN 0.195 nan 8.240 nan 0.000 0.489 464 I N 3.318 123.904 120.570 0.027 0.000 2.304 464 I HA 0.409 -2.447 4.170 -11.709 0.000 0.291 464 I C 0.396 176.533 176.117 0.033 0.000 1.018 464 I CA -0.889 60.426 61.300 0.025 0.000 1.260 464 I CB 1.155 39.166 38.000 0.017 0.000 1.390 464 I HN 0.125 nan 8.210 nan 0.000 0.475 465 R N 4.171 124.712 120.500 0.069 0.000 2.623 465 R HA 0.052 -2.634 4.340 -11.709 0.000 0.271 465 R C 0.860 177.207 176.300 0.078 0.000 1.043 465 R CA 0.113 56.284 56.100 0.119 0.000 1.083 465 R CB 0.806 31.218 30.300 0.187 0.000 0.974 465 R HN 0.722 nan 8.270 nan 0.000 0.436 466 T N 1.728 116.328 114.554 0.077 0.000 2.665 466 T HA -0.234 -2.910 4.350 -11.709 0.000 0.268 466 T C 1.785 176.512 174.700 0.045 0.000 1.035 466 T CA 2.161 64.286 62.100 0.043 0.000 1.151 466 T CB -0.234 68.656 68.868 0.037 0.000 0.862 466 T HN 0.822 nan 8.240 nan 0.000 0.438 467 S N 1.618 117.355 115.700 0.061 0.000 2.383 467 S HA -0.096 -2.652 4.470 -11.709 0.000 0.227 467 S C 1.885 176.518 174.600 0.054 0.000 1.026 467 S CA 1.014 59.245 58.200 0.053 0.000 0.981 467 S CB -0.390 62.840 63.200 0.050 0.000 0.818 467 S HN 0.584 nan 8.310 nan 0.000 0.472 468 E N 0.788 121.020 120.200 0.053 0.000 2.072 468 E HA 0.002 -2.673 4.350 -11.709 0.000 0.191 468 E C 1.992 178.613 176.600 0.035 0.000 0.985 468 E CA 0.927 57.353 56.400 0.043 0.000 0.801 468 E CB -0.258 29.465 29.700 0.040 0.000 0.750 468 E HN 0.350 nan 8.360 nan 0.000 0.452 469 L N 1.314 122.554 121.223 0.030 0.000 2.056 469 L HA -0.139 -2.825 4.340 -11.709 0.000 0.207 469 L C 2.311 179.197 176.870 0.026 0.000 1.078 469 L CA 1.656 56.508 54.840 0.020 0.000 0.749 469 L CB -0.324 41.740 42.059 0.008 0.000 0.901 469 L HN -0.046 nan 8.230 nan 0.000 0.433 470 R N -0.770 119.751 120.500 0.034 0.000 2.096 470 R HA -0.231 -2.917 4.340 -11.709 0.000 0.240 470 R C 2.338 178.680 176.300 0.071 0.000 1.139 470 R CA 2.188 58.317 56.100 0.048 0.000 0.952 470 R CB -0.558 29.774 30.300 0.053 0.000 0.854 470 R HN 0.427 nan 8.270 nan 0.000 0.436 471 L N 0.531 121.800 121.223 0.076 0.000 1.994 471 L HA -0.140 -2.826 4.340 -11.709 0.000 0.208 471 L C 2.178 179.083 176.870 0.059 0.000 1.071 471 L CA 2.023 56.919 54.840 0.094 0.000 0.745 471 L CB -0.431 41.673 42.059 0.076 0.000 0.892 471 L HN 0.076 nan 8.230 nan 0.000 0.431 472 S N -0.438 115.282 115.700 0.033 0.000 2.383 472 S HA -0.253 -2.808 4.470 -11.709 0.000 0.229 472 S C 1.914 176.528 174.600 0.023 0.000 1.030 472 S CA 1.836 60.047 58.200 0.017 0.000 1.002 472 S CB -0.480 62.726 63.200 0.011 0.000 0.829 472 S HN 0.569 nan 8.310 nan 0.000 0.467 473 M N 1.440 121.057 119.600 0.028 0.000 2.067 473 M HA -0.229 -2.775 4.480 -11.709 0.000 0.260 473 M C 2.194 178.508 176.300 0.023 0.000 1.069 473 M CA 1.666 56.977 55.300 0.018 0.000 1.117 473 M CB -0.450 32.162 32.600 0.019 0.000 1.334 473 M HN 0.275 nan 8.290 nan 0.000 0.407 474 Q N 0.297 120.137 119.800 0.068 0.000 2.045 474 Q HA -0.228 -2.913 4.340 -11.709 0.000 0.206 474 Q C 2.023 178.129 176.000 0.177 0.000 0.991 474 Q CA 2.230 58.115 55.803 0.137 0.000 0.851 474 Q CB -0.217 28.677 28.738 0.260 0.000 0.911 474 Q HN 0.560 nan 8.270 nan 0.000 0.418 475 K N -0.059 120.406 120.400 0.109 0.000 2.155 475 K HA -0.023 -2.728 4.320 -11.709 0.000 0.203 475 K C 2.272 178.944 176.600 0.119 0.000 1.052 475 K CA 1.037 57.351 56.287 0.044 0.000 0.948 475 K CB -0.025 32.399 32.500 -0.127 0.000 0.728 475 K HN 0.037 nan 8.250 nan 0.000 0.448 476 S N 0.996 116.757 115.700 0.103 0.000 2.382 476 S HA -0.052 -2.607 4.470 -11.709 0.000 0.228 476 S C 1.913 176.635 174.600 0.202 0.000 1.027 476 S CA 1.046 59.328 58.200 0.136 0.000 0.991 476 S CB -0.024 63.164 63.200 -0.020 0.000 0.823 476 S HN 0.214 nan 8.310 nan 0.000 0.469 477 M N 0.761 120.418 119.600 0.094 0.000 2.200 477 M HA 0.021 -2.524 4.480 -11.709 0.000 0.265 477 M C 2.227 178.731 176.300 0.339 0.000 1.066 477 M CA 1.191 56.520 55.300 0.048 0.000 1.127 477 M CB -1.222 31.120 32.600 -0.430 0.000 1.379 477 M HN 0.220 nan 8.290 nan 0.000 0.420 478 Q N 0.570 120.594 119.800 0.372 0.000 2.224 478 Q HA -0.078 -2.764 4.340 -11.709 0.000 0.203 478 Q C 1.878 178.059 176.000 0.302 0.000 0.970 478 Q CA 1.999 58.074 55.803 0.453 0.000 0.865 478 Q CB -0.012 28.962 28.738 0.394 0.000 0.922 478 Q HN 0.589 nan 8.270 nan 0.000 0.445 479 S N -2.639 113.199 115.700 0.229 0.000 2.506 479 S HA 0.102 -2.453 4.470 -11.709 0.000 0.219 479 S C 1.080 175.641 174.600 -0.066 0.000 1.031 479 S CA 0.136 58.371 58.200 0.059 0.000 0.911 479 S CB -0.104 63.078 63.200 -0.030 0.000 0.812 479 S HN 0.416 nan 8.310 nan 0.000 0.497 480 H N 1.754 120.895 119.070 0.118 0.000 2.476 480 H HA 0.581 -1.891 4.556 -11.712 0.000 0.292 480 H C 1.186 176.589 175.328 0.125 0.000 1.019 480 H CA 0.761 56.865 56.048 0.094 0.000 1.330 480 H CB 0.212 30.011 29.762 0.062 0.000 1.451 480 H HN 0.507 nan 8.280 nan 0.000 0.535 481 A N 0.749 123.762 122.820 0.321 0.000 3.154 481 A HA 0.714 -1.991 4.320 -11.709 0.000 0.310 481 A C 0.709 178.551 177.584 0.429 0.000 1.093 481 A CA 0.068 52.308 52.037 0.338 0.000 1.006 481 A CB -0.677 18.542 19.000 0.365 0.000 1.084 481 A HN 0.386 nan 8.150 nan 0.000 0.549 482 A N -0.223 122.750 122.820 0.255 0.000 2.645 482 A HA 0.527 -2.178 4.320 -11.709 0.000 0.245 482 A C 1.560 179.011 177.584 -0.222 0.000 1.758 482 A CA 0.581 52.687 52.037 0.114 0.000 0.850 482 A CB -0.623 18.392 19.000 0.025 0.000 1.656 482 A HN 0.630 nan 8.150 nan 0.000 0.641 483 V N -1.379 118.100 119.914 -0.725 0.000 2.221 483 V HA -0.080 -2.986 4.120 -11.709 0.000 0.242 483 V C 0.966 176.781 176.094 -0.464 0.000 1.041 483 V CA 1.272 63.014 62.300 -0.930 0.000 0.995 483 V CB -1.122 30.161 31.823 -0.899 0.000 0.635 483 V HN 0.495 nan 8.190 nan 0.000 0.448 484 F N 1.802 121.615 119.950 -0.230 0.000 2.399 484 F HA 0.539 -1.962 4.527 -11.714 0.000 0.342 484 F C 0.757 176.493 175.800 -0.107 0.000 1.106 484 F CA -0.356 57.560 58.000 -0.140 0.000 1.196 484 F CB 0.503 39.438 39.000 -0.108 0.000 1.163 484 F HN 0.226 nan 8.300 nan 0.000 0.547 485 R N 1.976 122.543 120.500 0.111 0.000 2.522 485 R HA 0.664 -2.022 4.340 -11.709 0.000 0.273 485 R C -2.195 174.128 176.300 0.037 0.000 1.133 485 R CA -0.884 55.246 56.100 0.051 0.000 0.969 485 R CB 0.505 30.824 30.300 0.032 0.000 1.235 485 R HN 0.382 nan 8.270 nan 0.000 0.433 486 V N 0.278 120.219 119.914 0.044 0.000 2.834 486 V HA 0.519 -2.387 4.120 -11.709 0.000 0.313 486 V C 1.523 177.653 176.094 0.059 0.000 1.060 486 V CA -0.223 62.106 62.300 0.049 0.000 0.989 486 V CB 1.523 33.364 31.823 0.029 0.000 1.041 486 V HN 0.942 nan 8.190 nan 0.000 0.459 487 G N 1.026 109.876 108.800 0.083 0.000 2.498 487 G HA2 -0.137 -3.202 3.960 -11.709 0.000 0.219 487 G HA3 -0.137 -3.202 3.960 -11.709 0.000 0.219 487 G C 1.310 176.246 174.900 0.059 0.000 1.119 487 G CA 1.008 46.155 45.100 0.079 0.000 0.766 487 G HN 0.700 nan 8.290 nan 0.000 0.552 488 S N 0.102 115.834 115.700 0.053 0.000 2.335 488 S HA -0.096 -2.651 4.470 -11.709 0.000 0.216 488 S C 2.346 176.978 174.600 0.054 0.000 1.032 488 S CA 1.150 59.376 58.200 0.043 0.000 1.000 488 S CB -0.435 62.781 63.200 0.027 0.000 0.928 488 S HN 0.136 nan 8.310 nan 0.000 0.434 489 V N 1.882 121.829 119.914 0.055 0.000 2.871 489 V HA 0.030 -2.876 4.120 -11.709 0.000 0.256 489 V C 2.039 178.234 176.094 0.169 0.000 1.082 489 V CA 0.904 63.258 62.300 0.090 0.000 1.105 489 V CB -0.648 31.169 31.823 -0.011 0.000 0.713 489 V HN 0.357 nan 8.190 nan 0.000 0.473 490 L N -0.763 120.520 121.223 0.100 0.000 2.093 490 L HA -0.159 -2.845 4.340 -11.709 0.000 0.208 490 L C 2.752 179.627 176.870 0.009 0.000 1.085 490 L CA 1.322 56.208 54.840 0.076 0.000 0.755 490 L CB -0.403 41.686 42.059 0.049 0.000 0.904 490 L HN 0.320 nan 8.230 nan 0.000 0.435 491 Q N -0.222 119.581 119.800 0.006 0.000 2.050 491 Q HA -0.268 -2.953 4.340 -11.709 0.000 0.202 491 Q C 2.038 178.018 176.000 -0.034 0.000 0.980 491 Q CA 1.610 57.391 55.803 -0.037 0.000 0.840 491 Q CB -0.095 28.640 28.738 -0.004 0.000 0.898 491 Q HN 0.523 nan 8.270 nan 0.000 0.424 492 E N -0.530 119.689 120.200 0.033 0.000 2.110 492 E HA -0.146 -2.821 4.350 -11.709 0.000 0.193 492 E C 1.875 178.427 176.600 -0.080 0.000 0.988 492 E CA 1.011 57.432 56.400 0.035 0.000 0.804 492 E CB -0.142 29.637 29.700 0.133 0.000 0.745 492 E HN 0.407 nan 8.360 nan 0.000 0.458 493 G N 0.527 109.279 108.800 -0.079 0.000 2.422 493 G HA2 -0.284 -3.350 3.960 -11.709 0.000 0.218 493 G HA3 -0.284 -3.350 3.960 -11.709 0.000 0.218 493 G C 1.710 176.483 174.900 -0.211 0.000 1.146 493 G CA 0.911 45.803 45.100 -0.347 0.000 0.769 493 G HN 0.364 nan 8.290 nan 0.000 0.547 494 C N 1.070 120.255 119.300 -0.190 0.000 2.436 494 C HA -0.026 -2.592 4.460 -11.709 0.000 0.277 494 C C 2.845 177.791 174.990 -0.072 0.000 1.241 494 C CA 1.268 60.121 59.018 -0.274 0.000 1.721 494 C CB -0.706 26.623 27.740 -0.684 0.000 2.043 494 C HN 0.791 nan 8.230 nan 0.000 0.472 495 E N 0.857 121.020 120.200 -0.062 0.000 2.482 495 E HA -0.170 -2.846 4.350 -11.709 0.000 0.196 495 E C 1.858 178.457 176.600 -0.001 0.000 1.047 495 E CA 0.838 57.246 56.400 0.014 0.000 0.869 495 E CB -0.240 29.468 29.700 0.013 0.000 0.836 495 E HN 0.616 nan 8.360 nan 0.000 0.520 496 K N 0.412 120.775 120.400 -0.062 0.000 2.128 496 K HA 0.016 -2.690 4.320 -11.709 0.000 0.202 496 K C 2.039 178.614 176.600 -0.041 0.000 1.050 496 K CA 0.375 56.613 56.287 -0.081 0.000 0.966 496 K CB 0.175 32.549 32.500 -0.209 0.000 0.759 496 K HN 0.067 nan 8.250 nan 0.000 0.454 497 I N 1.799 122.349 120.570 -0.033 0.000 2.226 497 I HA -0.248 -3.103 4.170 -11.709 0.000 0.245 497 I C 2.301 178.479 176.117 0.102 0.000 1.100 497 I CA 0.927 62.248 61.300 0.036 0.000 1.374 497 I CB -0.853 37.181 38.000 0.057 0.000 1.057 497 I HN 0.255 nan 8.210 nan 0.000 0.413 498 L N 0.979 122.275 121.223 0.121 0.000 2.042 498 L HA -0.184 -2.869 4.340 -11.709 0.000 0.210 498 L C 2.713 179.659 176.870 0.127 0.000 1.076 498 L CA 1.797 56.718 54.840 0.135 0.000 0.749 498 L CB -0.757 41.390 42.059 0.147 0.000 0.893 498 L HN 0.113 nan 8.230 nan 0.000 0.432 499 R N -0.586 119.966 120.500 0.087 0.000 2.081 499 R HA -0.135 -2.820 4.340 -11.709 0.000 0.235 499 R C 2.247 178.598 176.300 0.085 0.000 1.131 499 R CA 1.815 57.960 56.100 0.075 0.000 0.960 499 R CB -0.416 29.909 30.300 0.041 0.000 0.856 499 R HN 0.440 nan 8.270 nan 0.000 0.436 500 L N -0.548 120.720 121.223 0.077 0.000 2.362 500 L HA -0.170 -2.855 4.340 -11.709 0.000 0.219 500 L C 2.073 178.992 176.870 0.081 0.000 1.134 500 L CA 0.798 55.675 54.840 0.063 0.000 0.807 500 L CB -0.371 41.713 42.059 0.042 0.000 0.927 500 L HN 0.245 nan 8.230 nan 0.000 0.447 501 Y N 0.462 120.772 120.300 0.017 0.000 2.286 501 Y HA -0.070 -2.544 4.550 -11.707 0.000 0.293 501 Y C 2.343 178.255 175.900 0.020 0.000 1.124 501 Y CA 1.193 59.300 58.100 0.011 0.000 1.178 501 Y CB -0.218 38.242 38.460 -0.000 0.000 1.010 501 Y HN 0.071 nan 8.280 nan 0.000 0.536 502 G N 0.052 108.964 108.800 0.185 0.000 2.480 502 G HA2 -0.322 -3.388 3.960 -11.709 0.000 0.216 502 G HA3 -0.322 -3.388 3.960 -11.709 0.000 0.216 502 G C 1.222 176.169 174.900 0.077 0.000 1.200 502 G CA 1.298 46.474 45.100 0.127 0.000 0.782 502 G HN 0.343 nan 8.290 nan 0.000 0.554 503 D N 0.340 120.793 120.400 0.089 0.000 2.322 503 D HA -0.101 -2.486 4.640 -11.709 0.000 0.210 503 D C 2.425 178.758 176.300 0.055 0.000 0.983 503 D CA 0.398 54.463 54.000 0.108 0.000 0.902 503 D CB -0.223 40.602 40.800 0.042 0.000 0.905 503 D HN 0.329 nan 8.370 nan 0.000 0.483 504 L N 0.540 121.722 121.223 -0.067 0.000 2.191 504 L HA -0.184 -2.869 4.340 -11.709 0.000 0.212 504 L C 2.523 179.329 176.870 -0.107 0.000 1.103 504 L CA 0.949 55.707 54.840 -0.136 0.000 0.769 504 L CB -0.490 41.375 42.059 -0.323 0.000 0.908 504 L HN 0.170 nan 8.230 nan 0.000 0.438 505 Q N -1.004 118.734 119.800 -0.103 0.000 2.364 505 Q HA -0.203 -2.889 4.340 -11.709 0.000 0.207 505 Q C 1.375 177.255 176.000 -0.201 0.000 0.970 505 Q CA 1.281 56.994 55.803 -0.149 0.000 0.888 505 Q CB -0.227 28.406 28.738 -0.174 0.000 0.951 505 Q HN 0.603 nan 8.270 nan 0.000 0.469 506 H N 0.616 119.656 119.070 -0.050 0.000 2.592 506 H HA 0.142 -2.328 4.556 -11.710 0.000 0.265 506 H C 0.472 175.771 175.328 -0.050 0.000 0.955 506 H CA -0.098 55.925 56.048 -0.040 0.000 1.175 506 H CB 0.422 30.167 29.762 -0.029 0.000 1.433 506 H HN 0.239 nan 8.280 nan 0.000 0.537 507 L N 0.652 121.897 121.223 0.035 0.000 2.467 507 L HA 0.292 -2.394 4.340 -11.709 0.000 0.270 507 L C 0.291 177.131 176.870 -0.050 0.000 1.205 507 L CA -0.435 54.404 54.840 -0.002 0.000 0.828 507 L CB 0.185 42.231 42.059 -0.022 0.000 1.101 507 L HN -0.222 nan 8.230 nan 0.000 0.479 508 K N 0.464 120.815 120.400 -0.082 0.000 2.274 508 K HA 0.591 -2.114 4.320 -11.709 0.000 0.262 508 K C -0.648 175.798 176.600 -0.257 0.000 0.961 508 K CA -0.253 55.902 56.287 -0.220 0.000 0.833 508 K CB 1.410 33.732 32.500 -0.297 0.000 1.102 508 K HN 0.902 nan 8.250 nan 0.000 0.436 509 T N 3.514 117.890 114.554 -0.297 0.000 2.885 509 T HA 0.506 -2.169 4.350 -11.709 0.000 0.285 509 T C -0.034 174.479 174.700 -0.312 0.000 1.019 509 T CA -0.546 61.440 62.100 -0.190 0.000 1.010 509 T CB 0.382 69.203 68.868 -0.079 0.000 1.022 509 T HN 0.479 nan 8.240 nan 0.000 0.466 510 F N 0.716 120.670 119.950 0.005 0.000 2.602 510 F HA 0.338 -2.161 4.527 -11.710 0.000 0.284 510 F C 1.357 177.167 175.800 0.017 0.000 1.111 510 F CA -0.466 57.544 58.000 0.016 0.000 1.405 510 F CB 0.405 39.413 39.000 0.014 0.000 1.121 510 F HN 0.438 nan 8.300 nan 0.000 0.603 511 D N 0.830 121.334 120.400 0.173 0.000 2.308 511 D HA 0.141 -2.244 4.640 -11.709 0.000 0.251 511 D C 0.347 176.662 176.300 0.025 0.000 1.127 511 D CA 0.124 54.179 54.000 0.093 0.000 0.876 511 D CB 1.136 41.978 40.800 0.070 0.000 1.176 511 D HN -0.006 nan 8.370 nan 0.000 0.446 512 R N 1.636 122.154 120.500 0.030 0.000 2.543 512 R HA 0.308 -2.378 4.340 -11.709 0.000 0.323 512 R C 0.674 176.950 176.300 -0.039 0.000 1.002 512 R CA -0.434 55.654 56.100 -0.019 0.000 1.106 512 R CB 1.151 31.536 30.300 0.141 0.000 1.280 512 R HN 0.363 nan 8.270 nan 0.000 0.549 513 G N -0.466 108.326 108.800 -0.014 0.000 2.528 513 G HA2 0.208 -2.858 3.960 -11.709 0.000 0.289 513 G HA3 0.208 -2.858 3.960 -11.709 0.000 0.289 513 G C 0.682 175.570 174.900 -0.021 0.000 1.192 513 G CA -0.445 44.657 45.100 0.003 0.000 0.921 513 G HN -0.016 nan 8.290 nan 0.000 0.512 514 M N -0.127 119.475 119.600 0.004 0.000 2.429 514 M HA 0.070 -2.476 4.480 -11.709 0.000 0.265 514 M C 0.974 177.290 176.300 0.028 0.000 1.120 514 M CA 0.590 55.895 55.300 0.008 0.000 1.173 514 M CB -0.239 32.371 32.600 0.015 0.000 1.343 514 M HN 0.128 nan 8.290 nan 0.000 0.464 515 V N 1.091 121.045 119.914 0.066 0.000 2.529 515 V HA -0.103 -3.008 4.120 -11.709 0.000 0.292 515 V C -0.333 175.879 176.094 0.198 0.000 1.028 515 V CA -0.124 62.256 62.300 0.132 0.000 1.074 515 V CB -0.484 31.427 31.823 0.146 0.000 0.958 515 V HN 0.693 nan 8.190 nan 0.000 0.481 516 W N 3.922 125.216 121.300 -0.011 0.000 7.512 516 W HA -0.233 -2.599 4.660 -11.709 0.000 0.420 516 W C 1.035 177.538 176.519 -0.027 0.000 1.669 516 W CA 0.517 57.852 57.345 -0.016 0.000 1.211 516 W CB -0.881 28.575 29.460 -0.007 0.000 2.898 516 W HN 0.717 nan 8.180 nan 0.000 1.644 517 N N 0.827 119.551 118.700 0.039 0.000 2.895 517 N HA 0.012 -2.273 4.740 -11.709 0.000 0.277 517 N C 1.462 176.952 175.510 -0.033 0.000 1.185 517 N CA 1.068 54.123 53.050 0.009 0.000 1.106 517 N CB 0.364 38.824 38.487 -0.046 0.000 1.422 517 N HN 0.322 nan 8.380 nan 0.000 0.521 518 T N -1.294 113.289 114.554 0.048 0.000 2.881 518 T HA -0.152 -2.828 4.350 -11.709 0.000 0.270 518 T C 1.402 176.086 174.700 -0.026 0.000 1.068 518 T CA 0.826 62.934 62.100 0.013 0.000 1.131 518 T CB 0.000 68.942 68.868 0.123 0.000 0.871 518 T HN 0.201 nan 8.240 nan 0.000 0.479 519 D N 1.101 121.503 120.400 0.003 0.000 2.149 519 D HA -0.084 -2.469 4.640 -11.709 0.000 0.198 519 D C 1.885 178.160 176.300 -0.040 0.000 0.990 519 D CA 0.767 54.771 54.000 0.007 0.000 0.839 519 D CB -0.405 40.425 40.800 0.051 0.000 0.948 519 D HN 0.398 nan 8.370 nan 0.000 0.460 520 L N 0.305 121.481 121.223 -0.078 0.000 2.044 520 L HA -0.065 -2.751 4.340 -11.709 0.000 0.205 520 L C 2.481 179.240 176.870 -0.186 0.000 1.075 520 L CA 1.696 56.462 54.840 -0.123 0.000 0.747 520 L CB -0.802 41.175 42.059 -0.136 0.000 0.903 520 L HN 0.088 nan 8.230 nan 0.000 0.435 521 V N -3.027 116.734 119.914 -0.255 0.000 2.427 521 V HA -0.167 -3.072 4.120 -11.709 0.000 0.248 521 V C 2.243 178.112 176.094 -0.375 0.000 1.051 521 V CA 1.734 63.762 62.300 -0.455 0.000 1.048 521 V CB -1.222 30.240 31.823 -0.601 0.000 0.666 521 V HN 0.516 nan 8.190 nan 0.000 0.456 522 E N 0.727 120.801 120.200 -0.209 0.000 2.204 522 E HA -0.128 -2.803 4.350 -11.709 0.000 0.195 522 E C 2.235 178.778 176.600 -0.094 0.000 0.990 522 E CA 1.777 58.103 56.400 -0.124 0.000 0.821 522 E CB -0.233 29.429 29.700 -0.062 0.000 0.750 522 E HN 0.765 nan 8.360 nan 0.000 0.477 523 T N 0.661 115.153 114.554 -0.104 0.000 2.896 523 T HA -0.024 -2.700 4.350 -11.709 0.000 0.263 523 T C 1.876 176.527 174.700 -0.082 0.000 1.050 523 T CA 0.481 62.535 62.100 -0.077 0.000 1.140 523 T CB -0.039 68.786 68.868 -0.073 0.000 0.877 523 T HN 0.094 nan 8.240 nan 0.000 0.457 524 L N 0.817 121.965 121.223 -0.124 0.000 2.083 524 L HA -0.065 -2.751 4.340 -11.709 0.000 0.209 524 L C 2.745 179.621 176.870 0.010 0.000 1.083 524 L CA 1.298 56.098 54.840 -0.067 0.000 0.752 524 L CB -0.552 41.437 42.059 -0.118 0.000 0.899 524 L HN 0.307 nan 8.230 nan 0.000 0.433 525 E N -0.027 120.141 120.200 -0.053 0.000 2.118 525 E HA -0.270 -2.945 4.350 -11.709 0.000 0.195 525 E C 2.100 178.722 176.600 0.038 0.000 0.992 525 E CA 1.177 57.603 56.400 0.044 0.000 0.804 525 E CB -0.125 29.574 29.700 -0.000 0.000 0.741 525 E HN 0.270 nan 8.360 nan 0.000 0.458 526 L N 1.343 122.565 121.223 -0.000 0.000 2.027 526 L HA -0.217 -2.903 4.340 -11.709 0.000 0.206 526 L C 2.077 178.942 176.870 -0.008 0.000 1.074 526 L CA 1.769 56.607 54.840 -0.002 0.000 0.745 526 L CB -0.313 41.734 42.059 -0.019 0.000 0.898 526 L HN 0.044 nan 8.230 nan 0.000 0.433 527 Q N -0.570 119.216 119.800 -0.023 0.000 2.050 527 Q HA -0.210 -2.895 4.340 -11.709 0.000 0.202 527 Q C 2.020 178.036 176.000 0.026 0.000 0.980 527 Q CA 1.727 57.515 55.803 -0.025 0.000 0.840 527 Q CB -0.394 28.326 28.738 -0.031 0.000 0.898 527 Q HN 0.528 nan 8.270 nan 0.000 0.424 528 N N 0.697 119.423 118.700 0.043 0.000 2.094 528 N HA -0.164 -2.450 4.740 -11.709 0.000 0.191 528 N C 1.788 177.304 175.510 0.011 0.000 1.023 528 N CA 1.150 54.224 53.050 0.041 0.000 0.857 528 N CB -0.276 38.266 38.487 0.092 0.000 1.013 528 N HN 0.210 nan 8.380 nan 0.000 0.426 529 L N 0.119 121.358 121.223 0.027 0.000 2.005 529 L HA -0.073 -2.759 4.340 -11.709 0.000 0.207 529 L C 2.371 179.244 176.870 0.005 0.000 1.072 529 L CA 0.860 55.712 54.840 0.021 0.000 0.744 529 L CB -0.350 41.735 42.059 0.044 0.000 0.895 529 L HN 0.114 nan 8.230 nan 0.000 0.433 530 M N -0.390 119.231 119.600 0.035 0.000 2.144 530 M HA -0.228 -2.773 4.480 -11.709 0.000 0.260 530 M C 2.336 178.703 176.300 0.112 0.000 1.067 530 M CA 1.843 57.197 55.300 0.089 0.000 1.095 530 M CB -0.967 31.702 32.600 0.114 0.000 1.365 530 M HN 0.278 nan 8.290 nan 0.000 0.406 531 L N -1.234 120.039 121.223 0.083 0.000 2.056 531 L HA -0.227 -2.913 4.340 -11.709 0.000 0.207 531 L C 2.618 179.422 176.870 -0.110 0.000 1.078 531 L CA 0.939 55.784 54.840 0.008 0.000 0.749 531 L CB -0.702 41.361 42.059 0.007 0.000 0.901 531 L HN 0.312 nan 8.230 nan 0.000 0.433 532 C N -0.201 118.986 119.300 -0.189 0.000 2.425 532 C HA -0.121 -2.687 4.460 -11.709 0.000 0.277 532 C C 3.135 177.974 174.990 -0.253 0.000 1.280 532 C CA 0.643 59.410 59.018 -0.417 0.000 1.744 532 C CB -1.087 26.205 27.740 -0.747 0.000 1.989 532 C HN 0.607 nan 8.230 nan 0.000 0.491 533 A N 0.206 122.967 122.820 -0.098 0.000 1.873 533 A HA -0.108 -2.813 4.320 -11.709 0.000 0.215 533 A C 2.041 179.637 177.584 0.020 0.000 1.186 533 A CA 1.430 53.453 52.037 -0.023 0.000 0.616 533 A CB -0.645 18.346 19.000 -0.016 0.000 0.823 533 A HN 0.492 nan 8.150 nan 0.000 0.442 534 L N -0.312 120.920 121.223 0.014 0.000 2.042 534 L HA -0.273 -2.958 4.340 -11.709 0.000 0.210 534 L C 2.826 179.739 176.870 0.071 0.000 1.076 534 L CA 2.099 56.963 54.840 0.039 0.000 0.749 534 L CB -0.344 41.650 42.059 -0.107 0.000 0.893 534 L HN 0.494 nan 8.230 nan 0.000 0.432 535 Q N -1.933 117.856 119.800 -0.019 0.000 2.245 535 Q HA -0.107 -2.793 4.340 -11.709 0.000 0.201 535 Q C 2.013 178.048 176.000 0.058 0.000 0.955 535 Q CA 1.601 57.398 55.803 -0.010 0.000 0.870 535 Q CB -0.128 28.555 28.738 -0.092 0.000 0.945 535 Q HN 0.500 nan 8.270 nan 0.000 0.461 536 T N 1.439 116.034 114.554 0.068 0.000 2.701 536 T HA -0.133 -2.809 4.350 -11.709 0.000 0.263 536 T C 1.847 176.619 174.700 0.119 0.000 1.040 536 T CA 1.004 63.178 62.100 0.124 0.000 1.147 536 T CB -0.164 68.823 68.868 0.198 0.000 0.865 536 T HN 0.172 nan 8.240 nan 0.000 0.426 537 I N -0.228 120.417 120.570 0.125 0.000 2.353 537 I HA -0.078 -2.934 4.170 -11.709 0.000 0.248 537 I C 1.920 178.053 176.117 0.027 0.000 1.119 537 I CA 1.240 62.590 61.300 0.084 0.000 1.417 537 I CB -0.124 37.906 38.000 0.051 0.000 1.078 537 I HN 0.175 nan 8.210 nan 0.000 0.421 538 Y N 0.456 120.759 120.300 0.005 0.000 2.220 538 Y HA -0.015 -2.494 4.550 -11.714 0.000 0.291 538 Y C 2.556 178.457 175.900 0.002 0.000 1.129 538 Y CA 1.577 59.679 58.100 0.003 0.000 1.161 538 Y CB -1.106 37.348 38.460 -0.009 0.000 0.997 538 Y HN 0.182 nan 8.280 nan 0.000 0.522 539 G N -0.562 108.317 108.800 0.131 0.000 2.422 539 G HA2 -0.249 -3.315 3.960 -11.709 0.000 0.218 539 G HA3 -0.249 -3.315 3.960 -11.709 0.000 0.218 539 G C 1.881 176.719 174.900 -0.102 0.000 1.146 539 G CA 0.970 46.093 45.100 0.038 0.000 0.769 539 G HN 0.464 nan 8.290 nan 0.000 0.547 540 A N 1.332 124.099 122.820 -0.088 0.000 1.898 540 A HA 0.006 -2.700 4.320 -11.709 0.000 0.216 540 A C 2.188 179.787 177.584 0.025 0.000 1.181 540 A CA 2.171 54.170 52.037 -0.063 0.000 0.620 540 A CB -0.394 18.679 19.000 0.121 0.000 0.819 540 A HN 0.501 nan 8.150 nan 0.000 0.442 541 E N 0.548 120.737 120.200 -0.019 0.000 2.150 541 E HA 0.045 -2.631 4.350 -11.709 0.000 0.193 541 E C 1.754 178.313 176.600 -0.069 0.000 0.985 541 E CA 1.646 58.021 56.400 -0.041 0.000 0.814 541 E CB -0.532 29.104 29.700 -0.107 0.000 0.752 541 E HN 0.394 nan 8.360 nan 0.000 0.466 542 A N 0.911 123.700 122.820 -0.051 0.000 1.897 542 A HA -0.036 -2.742 4.320 -11.709 0.000 0.215 542 A C 1.701 179.061 177.584 -0.372 0.000 1.181 542 A CA 0.829 52.857 52.037 -0.014 0.000 0.620 542 A CB -0.517 18.611 19.000 0.213 0.000 0.821 542 A HN 0.210 nan 8.150 nan 0.000 0.443 543 R N 0.801 120.950 120.500 -0.584 0.000 2.402 543 R HA 0.149 -2.537 4.340 -11.709 0.000 0.331 543 R C -0.799 174.913 176.300 -0.980 0.000 1.040 543 R CA 0.193 55.574 56.100 -1.198 0.000 0.980 543 R CB -0.052 29.726 30.300 -0.870 0.000 0.967 543 R HN 0.179 nan 8.270 nan 0.000 0.440 544 K N 4.133 123.595 120.400 -1.563 0.000 3.127 544 K HA 0.077 -2.628 4.320 -11.709 0.000 0.236 544 K C -0.850 175.239 176.600 -0.852 0.000 1.271 544 K CA -0.208 55.332 56.287 -1.245 0.000 1.224 544 K CB 0.429 32.036 32.500 -1.488 0.000 1.482 544 K HN 0.679 nan 8.250 nan 0.000 0.435 545 E N -2.082 117.843 120.200 -0.459 0.000 2.454 545 E HA 0.404 -2.272 4.350 -11.709 0.000 0.279 545 E C -1.101 175.546 176.600 0.079 0.000 1.029 545 E CA -1.113 55.255 56.400 -0.053 0.000 0.831 545 E CB 1.376 31.079 29.700 0.005 0.000 1.405 545 E HN -0.170 nan 8.360 nan 0.000 0.463 546 S N 0.238 116.026 115.700 0.147 0.000 2.532 546 S HA 0.387 -2.168 4.470 -11.709 0.000 0.256 546 S C -0.896 173.823 174.600 0.198 0.000 1.298 546 S CA -0.626 57.663 58.200 0.148 0.000 1.166 546 S CB 0.282 63.558 63.200 0.126 0.000 1.022 546 S HN 0.395 nan 8.310 nan 0.000 0.480 547 R N 1.916 122.584 120.500 0.280 0.000 2.480 547 R HA 0.598 -2.088 4.340 -11.709 0.000 0.306 547 R C 0.984 177.506 176.300 0.370 0.000 0.958 547 R CA 0.344 56.634 56.100 0.316 0.000 0.861 547 R CB 0.926 31.440 30.300 0.357 0.000 1.171 547 R HN 0.748 nan 8.270 nan 0.000 0.445 548 G N 2.633 111.585 108.800 0.253 0.000 2.660 548 G HA2 -0.472 -3.538 3.960 -11.709 0.000 0.321 548 G HA3 -0.472 -3.538 3.960 -11.709 0.000 0.321 548 G C 0.742 175.780 174.900 0.230 0.000 1.246 548 G CA 0.631 45.863 45.100 0.220 0.000 1.000 548 G HN 0.788 nan 8.290 nan 0.000 0.550 549 A N -0.976 122.033 122.820 0.314 0.000 2.067 549 A HA 0.163 -2.542 4.320 -11.709 0.000 0.217 549 A C 1.365 179.090 177.584 0.236 0.000 1.156 549 A CA 1.642 53.838 52.037 0.265 0.000 0.683 549 A CB -0.323 18.869 19.000 0.319 0.000 0.808 549 A HN 0.968 nan 8.150 nan 0.000 0.455 550 H N 0.709 119.901 119.070 0.204 0.000 3.008 550 H HA 0.520 -1.961 4.556 -11.727 0.000 0.268 550 H C -0.708 174.639 175.328 0.030 0.000 1.323 550 H CA 0.230 56.288 56.048 0.015 0.000 1.401 550 H CB -0.038 29.562 29.762 -0.270 0.000 1.556 550 H HN 0.241 nan 8.280 nan 0.000 0.502 551 A N 7.201 129.867 122.820 -0.257 0.000 2.273 551 A HA 0.412 -2.294 4.320 -11.709 0.000 0.315 551 A C -0.018 177.451 177.584 -0.191 0.000 1.256 551 A CA -0.887 51.044 52.037 -0.176 0.000 0.851 551 A CB 0.546 19.445 19.000 -0.169 0.000 1.172 551 A HN 0.631 nan 8.150 nan 0.000 0.508 552 R N 2.079 122.506 120.500 -0.121 0.000 2.297 552 R HA 0.214 -2.472 4.340 -11.709 0.000 0.308 552 R C 0.372 176.736 176.300 0.107 0.000 1.029 552 R CA -0.406 55.683 56.100 -0.019 0.000 0.929 552 R CB 1.141 31.473 30.300 0.053 0.000 1.046 552 R HN 0.823 nan 8.270 nan 0.000 0.461 553 E N 1.690 121.956 120.200 0.109 0.000 2.072 553 E HA -0.180 -2.856 4.350 -11.709 0.000 0.191 553 E C 0.812 177.422 176.600 0.017 0.000 0.985 553 E CA 1.646 58.087 56.400 0.068 0.000 0.801 553 E CB 0.218 29.924 29.700 0.010 0.000 0.750 553 E HN 0.589 nan 8.360 nan 0.000 0.452 554 D N -0.167 120.248 120.400 0.025 0.000 2.234 554 D HA -0.130 -2.516 4.640 -11.709 0.000 0.205 554 D C 0.441 176.537 176.300 -0.340 0.000 0.962 554 D CA 0.621 54.547 54.000 -0.124 0.000 0.855 554 D CB -0.432 40.328 40.800 -0.067 0.000 0.951 554 D HN 0.115 nan 8.370 nan 0.000 0.500 555 F N 1.148 121.100 119.950 0.002 0.000 2.471 555 F HA 0.294 -2.102 4.527 -11.539 0.000 0.318 555 F C 1.368 177.184 175.800 0.026 0.000 1.308 555 F CA -0.907 57.100 58.000 0.012 0.000 1.162 555 F CB 0.942 39.935 39.000 -0.011 0.000 1.383 555 F HN -0.226 nan 8.300 nan 0.000 0.552 556 K N -0.338 120.136 120.400 0.123 0.000 2.280 556 K HA -0.091 -2.796 4.320 -11.709 0.000 0.202 556 K C 0.052 176.732 176.600 0.134 0.000 1.047 556 K CA 0.762 57.121 56.287 0.120 0.000 0.942 556 K CB -0.268 32.282 32.500 0.083 0.000 0.739 556 K HN 0.392 nan 8.250 nan 0.000 0.457 557 E N 2.020 122.308 120.200 0.147 0.000 2.415 557 E HA 0.019 -2.657 4.350 -11.709 0.000 0.262 557 E C -0.130 176.575 176.600 0.176 0.000 1.038 557 E CA -0.288 56.204 56.400 0.153 0.000 0.921 557 E CB 0.719 30.517 29.700 0.163 0.000 0.950 557 E HN -0.016 nan 8.360 nan 0.000 0.438 558 R N 2.294 122.893 120.500 0.164 0.000 2.233 558 R HA 0.203 -2.483 4.340 -11.709 0.000 0.334 558 R C -1.167 175.248 176.300 0.192 0.000 1.037 558 R CA -0.585 55.623 56.100 0.179 0.000 0.920 558 R CB 0.376 30.775 30.300 0.164 0.000 1.137 558 R HN 0.283 nan 8.270 nan 0.000 0.492 559 V N 5.898 125.953 119.914 0.235 0.000 2.352 559 V HA 0.076 -2.830 4.120 -11.709 0.000 0.253 559 V C 0.482 176.715 176.094 0.232 0.000 1.083 559 V CA -0.161 62.292 62.300 0.255 0.000 0.993 559 V CB 0.516 32.559 31.823 0.366 0.000 1.111 559 V HN 0.567 nan 8.190 nan 0.000 0.490 560 D N 3.089 123.594 120.400 0.176 0.000 2.466 560 D HA 0.239 -2.146 4.640 -11.709 0.000 0.262 560 D C 1.191 177.471 176.300 -0.033 0.000 1.177 560 D CA -0.551 53.527 54.000 0.128 0.000 1.035 560 D CB 1.123 42.089 40.800 0.277 0.000 1.105 560 D HN 0.539 nan 8.370 nan 0.000 0.551 561 E N -0.586 119.454 120.200 -0.266 0.000 2.110 561 E HA -0.123 -2.799 4.350 -11.709 0.000 0.193 561 E C 0.093 176.452 176.600 -0.401 0.000 0.988 561 E CA 1.290 57.331 56.400 -0.598 0.000 0.804 561 E CB -0.153 29.199 29.700 -0.581 0.000 0.745 561 E HN 0.379 nan 8.360 nan 0.000 0.458 562 Y N -0.219 119.962 120.300 -0.198 0.000 2.654 562 Y HA 0.324 -2.150 4.550 -11.707 0.000 0.327 562 Y C -0.238 175.540 175.900 -0.204 0.000 1.122 562 Y CA -1.446 56.453 58.100 -0.336 0.000 1.227 562 Y CB 0.897 38.873 38.460 -0.807 0.000 1.370 562 Y HN -0.239 nan 8.280 nan 0.000 0.528 563 D N -0.187 120.206 120.400 -0.012 0.000 2.479 563 D HA 0.115 -2.271 4.640 -11.709 0.000 0.218 563 D C -0.444 175.829 176.300 -0.045 0.000 1.131 563 D CA 0.048 54.055 54.000 0.011 0.000 0.916 563 D CB -0.277 40.533 40.800 0.015 0.000 1.022 563 D HN 0.427 nan 8.370 nan 0.000 0.515 564 Y N 1.438 121.735 120.300 -0.005 0.000 2.578 564 Y HA -0.082 -2.563 4.550 -11.717 0.000 0.297 564 Y C 2.384 178.232 175.900 -0.088 0.000 1.176 564 Y CA 0.482 58.532 58.100 -0.082 0.000 1.315 564 Y CB 0.172 38.532 38.460 -0.166 0.000 1.031 564 Y HN 0.401 nan 8.280 nan 0.000 0.524 565 S N 0.113 115.851 115.700 0.062 0.000 2.335 565 S HA -0.134 -2.689 4.470 -11.709 0.000 0.217 565 S C 1.009 175.611 174.600 0.004 0.000 1.032 565 S CA 0.291 58.508 58.200 0.029 0.000 0.985 565 S CB -0.516 62.701 63.200 0.029 0.000 0.896 565 S HN 0.395 nan 8.310 nan 0.000 0.445 566 K N 2.260 122.653 120.400 -0.011 0.000 2.120 566 K HA 0.442 -2.264 4.320 -11.709 0.000 0.245 566 K C -2.936 173.631 176.600 -0.055 0.000 1.024 566 K CA -1.778 54.493 56.287 -0.027 0.000 0.906 566 K CB -0.884 31.602 32.500 -0.023 0.000 1.051 566 K HN 0.001 nan 8.250 nan 0.000 0.491 567 P HA -0.053 nan 4.420 nan 0.000 0.268 567 P C 0.040 177.259 177.300 -0.136 0.000 1.208 567 P CA 0.024 63.075 63.100 -0.081 0.000 0.777 567 P CB 0.375 32.040 31.700 -0.058 0.000 0.875 568 I N 0.920 121.370 120.570 -0.199 0.000 3.735 568 I HA -0.091 -2.947 4.170 -11.709 0.000 0.310 568 I C 1.605 177.570 176.117 -0.253 0.000 1.270 568 I CA 0.656 61.737 61.300 -0.365 0.000 1.207 568 I CB -0.013 37.684 38.000 -0.505 0.000 1.013 568 I HN 0.369 nan 8.210 nan 0.000 0.452 569 Q N 0.763 120.486 119.800 -0.129 0.000 1.940 569 Q HA 0.100 -2.585 4.340 -11.709 0.000 0.200 569 Q C 1.340 177.325 176.000 -0.026 0.000 0.977 569 Q CA 1.182 56.942 55.803 -0.072 0.000 0.841 569 Q CB -0.180 28.527 28.738 -0.052 0.000 0.901 569 Q HN 0.458 nan 8.270 nan 0.000 0.446 570 G N 1.215 110.005 108.800 -0.017 0.000 3.101 570 G HA2 0.199 -2.867 3.960 -11.709 0.000 0.272 570 G HA3 0.199 -2.867 3.960 -11.709 0.000 0.272 570 G C -0.990 173.919 174.900 0.015 0.000 0.801 570 G CA 0.031 45.132 45.100 0.002 0.000 1.978 570 G HN 0.260 nan 8.290 nan 0.000 0.591 571 Q N 0.599 120.425 119.800 0.043 0.000 2.593 571 Q HA 0.130 -2.556 4.340 -11.709 0.000 0.242 571 Q C -1.725 174.343 176.000 0.114 0.000 0.944 571 Q CA -0.645 55.197 55.803 0.064 0.000 1.041 571 Q CB 1.166 29.948 28.738 0.073 0.000 1.588 571 Q HN 0.402 nan 8.270 nan 0.000 0.464 572 Q N 2.709 122.526 119.800 0.028 0.000 2.235 572 Q HA 0.346 -2.339 4.340 -11.709 0.000 0.250 572 Q C -0.843 175.032 176.000 -0.209 0.000 0.909 572 Q CA -0.501 55.290 55.803 -0.021 0.000 0.910 572 Q CB 1.524 30.248 28.738 -0.023 0.000 1.223 572 Q HN 0.553 nan 8.270 nan 0.000 0.432 573 K N 2.518 122.731 120.400 -0.311 0.000 2.524 573 K HA -0.036 -2.742 4.320 -11.709 0.000 0.279 573 K C -0.692 175.738 176.600 -0.284 0.000 0.993 573 K CA 0.582 56.539 56.287 -0.549 0.000 1.030 573 K CB 0.503 32.841 32.500 -0.270 0.000 0.891 573 K HN 0.392 nan 8.250 nan 0.000 0.488 574 K N 4.748 124.987 120.400 -0.267 0.000 2.218 574 K HA 0.211 -2.495 4.320 -11.709 0.000 0.276 574 K C -2.332 174.295 176.600 0.046 0.000 1.022 574 K CA -1.843 54.405 56.287 -0.066 0.000 0.946 574 K CB 0.820 33.320 32.500 -0.000 0.000 1.000 574 K HN 0.404 nan 8.250 nan 0.000 0.468 575 P HA -0.083 nan 4.420 nan 0.000 0.266 575 P C 0.177 177.439 177.300 -0.063 0.000 1.195 575 P CA 0.043 63.153 63.100 0.018 0.000 0.768 575 P CB 0.325 32.015 31.700 -0.015 0.000 0.838 576 F N 2.549 122.395 119.950 -0.174 0.000 2.063 576 F HA -0.304 -2.774 4.527 -11.662 0.000 0.297 576 F C 1.925 177.350 175.800 -0.625 0.000 1.099 576 F CA 1.794 59.561 58.000 -0.389 0.000 1.220 576 F CB -0.151 38.754 39.000 -0.158 0.000 0.972 576 F HN 0.354 nan 8.300 nan 0.000 0.487 577 Q N 0.564 120.205 119.800 -0.265 0.000 2.265 577 Q HA -0.027 -2.713 4.340 -11.709 0.000 0.217 577 Q C 0.333 176.053 176.000 -0.467 0.000 0.916 577 Q CA 0.742 56.317 55.803 -0.381 0.000 0.948 577 Q CB -0.147 28.520 28.738 -0.117 0.000 1.020 577 Q HN 0.650 nan 8.270 nan 0.000 0.462 578 E N 0.340 120.213 120.200 -0.544 0.000 2.639 578 E HA 0.063 -2.613 4.350 -11.709 0.000 0.225 578 E C 0.012 176.380 176.600 -0.388 0.000 0.921 578 E CA -0.109 56.062 56.400 -0.382 0.000 1.184 578 E CB 0.523 30.117 29.700 -0.177 0.000 1.160 578 E HN 0.585 nan 8.360 nan 0.000 0.547 579 H N -2.557 116.225 119.070 -0.481 0.000 2.771 579 H HA 0.260 -2.214 4.556 -11.716 0.000 0.344 579 H C -0.551 174.367 175.328 -0.683 0.000 1.260 579 H CA -0.978 54.826 56.048 -0.407 0.000 1.276 579 H CB 0.627 30.263 29.762 -0.209 0.000 1.881 579 H HN 0.000 nan 8.280 nan 0.000 0.615 580 W N -0.110 121.188 121.300 -0.003 0.000 2.653 580 W HA 0.350 4.868 4.660 -0.236 0.000 0.391 580 W C 0.997 177.518 176.519 0.003 0.000 0.962 580 W CA -0.531 56.751 57.345 -0.105 0.000 1.900 580 W CB 0.795 30.212 29.460 -0.071 0.000 1.176 580 W HN 0.356 nan 8.180 nan 0.000 0.582 581 R N 3.117 123.767 120.500 0.252 0.000 4.496 581 R HA 0.098 -2.587 4.340 -11.709 0.000 0.211 581 R C -0.071 176.275 176.300 0.077 0.000 1.738 581 R CA 0.333 56.529 56.100 0.161 0.000 1.528 581 R CB -0.740 29.614 30.300 0.090 0.000 1.414 581 R HN 0.046 nan 8.270 nan 0.000 0.812 582 K N -0.534 119.877 120.400 0.018 0.000 2.536 582 K HA 0.300 -2.406 4.320 -11.709 0.000 0.269 582 K C -1.169 175.495 176.600 0.107 0.000 0.965 582 K CA -1.055 55.220 56.287 -0.019 0.000 0.860 582 K CB 1.291 33.658 32.500 -0.221 0.000 1.423 582 K HN 0.041 nan 8.250 nan 0.000 0.438 583 H N 0.826 120.081 119.070 0.308 0.000 2.582 583 H HA 0.185 -2.284 4.556 -11.708 0.000 0.345 583 H C -0.307 175.263 175.328 0.403 0.000 1.104 583 H CA -0.101 56.126 56.048 0.299 0.000 1.390 583 H CB 1.451 31.320 29.762 0.178 0.000 1.461 583 H HN 0.505 nan 8.280 nan 0.000 0.551 584 T N 4.584 119.445 114.554 0.512 0.000 2.794 584 T HA 0.287 -2.388 4.350 -11.709 0.000 0.296 584 T C 0.745 175.439 174.700 -0.010 0.000 0.949 584 T CA -0.483 61.767 62.100 0.250 0.000 1.101 584 T CB 0.119 69.168 68.868 0.300 0.000 0.905 584 T HN 0.222 nan 8.240 nan 0.000 0.516 585 L N 4.019 125.098 121.223 -0.240 0.000 2.294 585 L HA 0.436 -2.250 4.340 -11.709 0.000 0.283 585 L C 0.334 177.017 176.870 -0.312 0.000 1.015 585 L CA -0.729 53.951 54.840 -0.267 0.000 0.831 585 L CB 1.270 43.168 42.059 -0.267 0.000 1.217 585 L HN 0.678 nan 8.230 nan 0.000 0.420 586 S N 1.788 117.285 115.700 -0.338 0.000 2.475 586 S HA 0.757 -1.798 4.470 -11.709 0.000 0.298 586 S C -0.897 173.441 174.600 -0.437 0.000 1.119 586 S CA -0.708 57.335 58.200 -0.261 0.000 1.085 586 S CB 1.408 64.521 63.200 -0.144 0.000 1.028 586 S HN 0.323 nan 8.310 nan 0.000 0.489 587 Y N 0.361 120.591 120.300 -0.116 0.000 2.630 587 Y HA 0.793 -1.685 4.550 -11.714 0.000 0.337 587 Y C -0.138 175.671 175.900 -0.152 0.000 1.051 587 Y CA -1.202 56.829 58.100 -0.115 0.000 1.121 587 Y CB 1.874 40.277 38.460 -0.095 0.000 1.299 587 Y HN 0.668 nan 8.280 nan 0.000 0.498 588 V N 1.542 121.468 119.914 0.021 0.000 2.697 588 V HA 0.231 -2.675 4.120 -11.709 0.000 0.300 588 V C -1.378 174.666 176.094 -0.084 0.000 1.115 588 V CA -0.738 61.502 62.300 -0.101 0.000 0.912 588 V CB 1.534 33.237 31.823 -0.200 0.000 1.024 588 V HN 0.875 nan 8.190 nan 0.000 0.431 589 D N 5.300 125.639 120.400 -0.102 0.000 2.346 589 D HA 0.066 -2.320 4.640 -11.709 0.000 0.267 589 D C 1.297 177.537 176.300 -0.100 0.000 1.320 589 D CA 0.317 54.268 54.000 -0.082 0.000 0.951 589 D CB 1.720 42.473 40.800 -0.079 0.000 1.079 589 D HN 0.492 nan 8.370 nan 0.000 0.509 590 V N 4.737 124.621 119.914 -0.049 0.000 2.453 590 V HA -0.251 -3.157 4.120 -11.709 0.000 0.252 590 V C 2.498 178.639 176.094 0.078 0.000 1.068 590 V CA 1.614 63.919 62.300 0.008 0.000 1.070 590 V CB -0.592 31.262 31.823 0.052 0.000 0.664 590 V HN 0.528 nan 8.190 nan 0.000 0.461 591 K N 0.886 121.309 120.400 0.038 0.000 1.975 591 K HA -0.164 -2.870 4.320 -11.709 0.000 0.210 591 K C 2.354 178.991 176.600 0.062 0.000 1.041 591 K CA 2.002 58.327 56.287 0.064 0.000 0.942 591 K CB -0.428 32.087 32.500 0.025 0.000 0.729 591 K HN 0.633 nan 8.250 nan 0.000 0.439 592 T N -2.109 112.440 114.554 -0.008 0.000 2.962 592 T HA 0.049 -2.627 4.350 -11.709 0.000 0.270 592 T C 1.185 175.822 174.700 -0.106 0.000 1.088 592 T CA 0.694 62.776 62.100 -0.029 0.000 1.127 592 T CB -0.447 68.394 68.868 -0.044 0.000 0.883 592 T HN 0.481 nan 8.240 nan 0.000 0.493 593 G N 1.786 110.436 108.800 -0.250 0.000 2.298 593 G HA2 -0.269 -3.335 3.960 -11.709 0.000 0.287 593 G HA3 -0.269 -3.335 3.960 -11.709 0.000 0.287 593 G C -0.256 174.374 174.900 -0.449 0.000 1.075 593 G CA 0.250 44.971 45.100 -0.631 0.000 0.960 593 G HN 0.872 nan 8.290 nan 0.000 0.502 594 K N 0.211 120.416 120.400 -0.326 0.000 2.274 594 K HA 0.586 -2.119 4.320 -11.709 0.000 0.262 594 K C -0.023 176.381 176.600 -0.326 0.000 0.961 594 K CA -0.855 55.252 56.287 -0.300 0.000 0.833 594 K CB 1.596 33.992 32.500 -0.173 0.000 1.102 594 K HN 0.051 nan 8.250 nan 0.000 0.436 595 V N 4.331 123.948 119.914 -0.495 0.000 2.353 595 V HA 0.133 -2.772 4.120 -11.709 0.000 0.264 595 V C -0.061 175.914 176.094 -0.198 0.000 1.049 595 V CA -0.590 61.471 62.300 -0.398 0.000 0.896 595 V CB 0.490 31.939 31.823 -0.623 0.000 1.025 595 V HN 0.847 nan 8.190 nan 0.000 0.475 596 S N 6.691 122.349 115.700 -0.069 0.000 2.541 596 S HA 0.889 -1.666 4.470 -11.709 0.000 0.283 596 S C -0.628 174.025 174.600 0.088 0.000 1.196 596 S CA -0.779 57.424 58.200 0.004 0.000 1.062 596 S CB 1.585 64.769 63.200 -0.027 0.000 1.009 596 S HN 0.741 nan 8.310 nan 0.000 0.502 597 L N -0.396 120.861 121.223 0.058 0.000 2.464 597 L HA 0.819 -1.866 4.340 -11.709 0.000 0.266 597 L C -0.894 175.898 176.870 -0.129 0.000 0.965 597 L CA -0.932 53.898 54.840 -0.017 0.000 0.833 597 L CB 1.605 43.613 42.059 -0.086 0.000 1.296 597 L HN 0.617 nan 8.230 nan 0.000 0.405 598 E N 1.680 121.765 120.200 -0.191 0.000 2.518 598 E HA 0.675 -2.000 4.350 -11.709 0.000 0.241 598 E C -1.689 174.527 176.600 -0.639 0.000 0.899 598 E CA -0.804 55.463 56.400 -0.221 0.000 0.888 598 E CB 1.470 31.202 29.700 0.053 0.000 1.426 598 E HN 0.544 nan 8.360 nan 0.000 0.401 599 Y N -0.579 119.781 120.300 0.100 0.000 2.524 599 Y HA 0.451 -1.958 4.550 -11.599 0.000 0.347 599 Y C -0.561 175.421 175.900 0.136 0.000 1.005 599 Y CA -1.155 57.032 58.100 0.144 0.000 1.025 599 Y CB 2.002 40.567 38.460 0.174 0.000 1.275 599 Y HN 0.391 nan 8.280 nan 0.000 0.460 600 R N 1.733 122.419 120.500 0.310 0.000 2.744 600 R HA 0.695 -1.991 4.340 -11.709 0.000 0.279 600 R C -3.408 173.173 176.300 0.469 0.000 0.977 600 R CA -2.200 54.074 56.100 0.291 0.000 0.906 600 R CB 2.356 32.696 30.300 0.065 0.000 1.197 600 R HN 0.239 nan 8.270 nan 0.000 0.463 601 P HA -0.013 nan 4.420 nan 0.000 0.275 601 P C 0.199 177.654 177.300 0.258 0.000 1.228 601 P CA -0.464 62.902 63.100 0.443 0.000 0.786 601 P CB 1.188 33.117 31.700 0.381 0.000 0.927 602 V N 2.489 122.464 119.914 0.102 0.000 2.881 602 V HA 0.258 -2.648 4.120 -11.709 0.000 0.303 602 V C 0.206 176.410 176.094 0.182 0.000 1.070 602 V CA -0.435 61.904 62.300 0.065 0.000 1.074 602 V CB -0.191 31.556 31.823 -0.128 0.000 1.012 602 V HN 0.276 nan 8.190 nan 0.000 0.482 603 I N 4.049 124.751 120.570 0.221 0.000 2.441 603 I HA 0.298 -2.557 4.170 -11.709 0.000 0.287 603 I C 0.625 176.856 176.117 0.190 0.000 1.049 603 I CA 0.193 61.611 61.300 0.196 0.000 1.381 603 I CB 0.933 39.051 38.000 0.197 0.000 1.409 603 I HN 0.712 nan 8.210 nan 0.000 0.523 604 D N 3.553 124.060 120.400 0.179 0.000 2.431 604 D HA 0.022 -2.364 4.640 -11.709 0.000 0.227 604 D C 0.421 176.833 176.300 0.187 0.000 1.030 604 D CA 0.435 54.548 54.000 0.189 0.000 0.897 604 D CB 0.340 41.246 40.800 0.176 0.000 1.058 604 D HN 0.484 nan 8.370 nan 0.000 0.500 605 K N 0.874 121.368 120.400 0.158 0.000 2.355 605 K HA 0.258 -2.448 4.320 -11.709 0.000 0.270 605 K C 0.705 177.392 176.600 0.145 0.000 1.003 605 K CA -0.169 56.200 56.287 0.135 0.000 0.957 605 K CB 0.694 33.260 32.500 0.110 0.000 0.939 605 K HN -0.069 nan 8.250 nan 0.000 0.482 606 T N -0.405 114.219 114.554 0.116 0.000 2.973 606 T HA 0.205 -2.471 4.350 -11.709 0.000 0.308 606 T C 1.064 175.843 174.700 0.133 0.000 1.177 606 T CA -0.726 61.447 62.100 0.122 0.000 0.938 606 T CB 0.092 68.925 68.868 -0.059 0.000 1.791 606 T HN 0.544 nan 8.240 nan 0.000 0.581 607 L N 0.031 121.418 121.223 0.274 0.000 2.554 607 L HA 0.440 -2.246 4.340 -11.709 0.000 0.225 607 L C 0.785 177.739 176.870 0.140 0.000 1.104 607 L CA 0.097 55.016 54.840 0.133 0.000 0.866 607 L CB -0.052 41.971 42.059 -0.060 0.000 1.047 607 L HN 0.577 nan 8.230 nan 0.000 0.468 608 N N -0.042 118.735 118.700 0.129 0.000 3.049 608 N HA 0.000 -2.285 4.740 -11.709 0.000 0.241 608 N C 0.341 175.838 175.510 -0.021 0.000 1.323 608 N CA 0.012 53.098 53.050 0.061 0.000 0.824 608 N CB 1.129 39.677 38.487 0.102 0.000 1.557 608 N HN -0.119 nan 8.380 nan 0.000 0.612 609 E N 2.510 122.703 120.200 -0.012 0.000 2.147 609 E HA -0.119 -2.795 4.350 -11.709 0.000 0.199 609 E C 1.498 178.075 176.600 -0.038 0.000 1.005 609 E CA 2.127 58.510 56.400 -0.028 0.000 0.810 609 E CB 0.117 29.819 29.700 0.002 0.000 0.736 609 E HN 0.629 nan 8.360 nan 0.000 0.460 610 A N -0.344 122.466 122.820 -0.017 0.000 2.066 610 A HA -0.102 -2.807 4.320 -11.709 0.000 0.218 610 A C 1.853 179.425 177.584 -0.020 0.000 1.157 610 A CA 1.689 53.718 52.037 -0.013 0.000 0.670 610 A CB -0.258 18.744 19.000 0.004 0.000 0.804 610 A HN 0.311 nan 8.150 nan 0.000 0.453 611 D N -2.602 117.783 120.400 -0.025 0.000 2.379 611 D HA 0.084 -2.302 4.640 -11.709 0.000 0.218 611 D C -0.119 176.100 176.300 -0.135 0.000 1.006 611 D CA 0.529 54.520 54.000 -0.014 0.000 0.893 611 D CB 0.525 41.387 40.800 0.104 0.000 1.019 611 D HN 0.199 nan 8.370 nan 0.000 0.503 612 C N 1.480 120.633 119.300 -0.246 0.000 2.781 612 C HA 0.804 -1.761 4.460 -11.709 0.000 0.348 612 C C -0.248 174.542 174.990 -0.333 0.000 1.051 612 C CA -0.759 57.988 59.018 -0.452 0.000 1.347 612 C CB -0.535 26.627 27.740 -0.963 0.000 1.846 612 C HN 0.364 nan 8.230 nan 0.000 0.473 613 A N 4.572 127.303 122.820 -0.149 0.000 2.462 613 A HA 0.492 -2.214 4.320 -11.709 0.000 0.243 613 A C 0.689 178.323 177.584 0.083 0.000 1.076 613 A CA 0.542 52.560 52.037 -0.032 0.000 0.773 613 A CB 0.156 19.142 19.000 -0.023 0.000 1.010 613 A HN 0.872 nan 8.150 nan 0.000 0.493 614 T N 2.077 116.692 114.554 0.103 0.000 2.902 614 T HA 0.310 -2.365 4.350 -11.709 0.000 0.301 614 T C 0.099 174.944 174.700 0.242 0.000 1.012 614 T CA 0.170 62.393 62.100 0.205 0.000 1.151 614 T CB 0.194 69.152 68.868 0.149 0.000 0.946 614 T HN 0.400 nan 8.240 nan 0.000 0.542 615 V N 8.208 128.326 119.914 0.341 0.000 2.333 615 V HA 0.291 -2.614 4.120 -11.709 0.000 0.274 615 V C -2.033 174.271 176.094 0.350 0.000 1.028 615 V CA -1.935 60.557 62.300 0.319 0.000 0.851 615 V CB 1.024 33.039 31.823 0.320 0.000 1.000 615 V HN 0.713 nan 8.190 nan 0.000 0.456 616 P HA 0.332 nan 4.420 nan 0.000 0.278 616 P C -2.665 174.314 177.300 -0.535 0.000 1.238 616 P CA -1.863 61.194 63.100 -0.071 0.000 0.794 616 P CB 0.016 31.683 31.700 -0.056 0.000 0.955 617 P HA 0.136 nan 4.420 nan 0.000 0.264 617 P C -0.660 175.661 177.300 -1.631 0.000 1.179 617 P CA 0.895 62.542 63.100 -2.422 0.000 0.763 617 P CB 0.204 30.636 31.700 -2.114 0.000 0.806 618 A N 2.794 124.644 122.820 -1.618 0.000 2.564 618 A HA 0.629 -2.077 4.320 -11.709 0.000 0.288 618 A C -0.717 176.641 177.584 -0.376 0.000 1.164 618 A CA -0.863 50.785 52.037 -0.648 0.000 0.712 618 A CB 0.679 19.484 19.000 -0.325 0.000 1.303 618 A HN 0.416 nan 8.150 nan 0.000 0.418 619 I N 1.066 121.560 120.570 -0.126 0.000 2.587 619 I HA 0.245 -2.611 4.170 -11.709 0.000 0.284 619 I C 0.691 176.829 176.117 0.034 0.000 1.134 619 I CA 0.367 61.655 61.300 -0.020 0.000 1.410 619 I CB 0.248 38.253 38.000 0.008 0.000 1.392 619 I HN 0.622 nan 8.210 nan 0.000 0.545 620 R N 6.279 126.839 120.500 0.100 0.000 2.310 620 R HA 0.656 -2.030 4.340 -11.709 0.000 0.324 620 R C -1.125 175.249 176.300 0.123 0.000 0.955 620 R CA -0.207 55.990 56.100 0.162 0.000 0.830 620 R CB 1.165 31.665 30.300 0.333 0.000 1.154 620 R HN 0.722 nan 8.270 nan 0.000 0.458 621 S N 2.437 118.163 115.700 0.044 0.000 2.543 621 S HA 0.454 -2.101 4.470 -11.709 0.000 0.274 621 S C -1.266 173.321 174.600 -0.022 0.000 1.149 621 S CA -0.939 57.317 58.200 0.093 0.000 0.866 621 S CB 0.481 63.736 63.200 0.091 0.000 1.111 621 S HN 0.453 nan 8.310 nan 0.000 0.457 622 Y N 0.000 120.335 120.300 0.058 0.000 2.660 622 Y HA 0.000 -2.477 4.550 -11.713 0.000 0.201 622 Y CA 0.000 58.126 58.100 0.043 0.000 1.940 622 Y CB 0.000 38.475 38.460 0.026 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758