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 1zoy_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 0.000 174.708 174.600 0.180 0.000 1.055 10 S CA 0.000 58.316 58.200 0.193 0.000 1.107 10 S CB 0.000 63.249 63.200 0.081 0.000 0.593 11 T N 0.747 115.395 114.554 0.156 0.000 3.854 11 T HA -0.260 4.090 4.350 -0.000 0.000 0.343 11 T C 0.875 175.618 174.700 0.072 0.000 0.767 11 T CA 2.216 64.376 62.100 0.099 0.000 1.840 11 T CB -0.918 67.980 68.868 0.050 0.000 1.922 11 T HN 0.657 nan 8.240 nan 0.000 0.770 12 Q N -0.575 119.283 119.800 0.097 0.000 2.317 12 Q HA 0.183 4.523 4.340 -0.000 0.000 0.220 12 Q C -0.303 175.563 176.000 -0.223 0.000 0.873 12 Q CA 0.493 56.242 55.803 -0.090 0.000 0.936 12 Q CB 0.580 29.225 28.738 -0.156 0.000 1.105 12 Q HN 0.660 nan 8.270 nan 0.000 0.520 13 Y N 1.412 121.727 120.300 0.025 0.000 2.575 13 Y HA 0.526 5.076 4.550 -0.000 0.000 0.326 13 Y C -2.164 173.737 175.900 0.003 0.000 0.979 13 Y CA -3.187 54.926 58.100 0.021 0.000 1.286 13 Y CB 0.940 39.416 38.460 0.027 0.000 1.093 13 Y HN 0.074 nan 8.280 nan 0.000 0.501 14 P HA 0.096 nan 4.420 nan 0.000 0.269 14 P C -0.659 176.653 177.300 0.021 0.000 1.209 14 P CA -0.315 62.811 63.100 0.044 0.000 0.776 14 P CB 0.850 32.558 31.700 0.013 0.000 0.876 15 V N 0.931 120.840 119.914 -0.008 0.000 2.513 15 V HA 0.591 4.711 4.120 -0.000 0.000 0.299 15 V C -0.458 175.570 176.094 -0.111 0.000 1.035 15 V CA -0.792 61.476 62.300 -0.053 0.000 0.889 15 V CB 1.906 33.722 31.823 -0.012 0.000 0.988 15 V HN 0.172 nan 8.190 nan 0.000 0.440 16 V N 3.721 123.500 119.914 -0.225 0.000 2.435 16 V HA 0.470 4.590 4.120 -0.000 0.000 0.290 16 V C -0.365 175.619 176.094 -0.183 0.000 1.030 16 V CA -0.309 61.845 62.300 -0.243 0.000 0.881 16 V CB 1.441 33.043 31.823 -0.368 0.000 0.983 16 V HN 0.973 nan 8.190 nan 0.000 0.445 17 D N 3.422 123.720 120.400 -0.170 0.000 2.373 17 D HA 0.358 4.998 4.640 -0.000 0.000 0.227 17 D C -0.467 175.760 176.300 -0.123 0.000 1.091 17 D CA -0.276 53.672 54.000 -0.087 0.000 0.840 17 D CB 0.881 41.665 40.800 -0.026 0.000 1.060 17 D HN 0.552 nan 8.370 nan 0.000 0.502 18 H N 1.078 120.265 119.070 0.195 0.000 2.502 18 H HA 0.377 4.933 4.556 -0.000 0.000 0.338 18 H C -0.330 175.094 175.328 0.160 0.000 1.155 18 H CA -0.380 55.812 56.048 0.239 0.000 1.237 18 H CB 2.294 32.384 29.762 0.546 0.000 1.534 18 H HN 0.411 nan 8.280 nan 0.000 0.523 19 E N 2.046 122.292 120.200 0.077 0.000 2.260 19 E HA 0.383 4.733 4.350 -0.000 0.000 0.266 19 E C -1.564 174.888 176.600 -0.248 0.000 0.887 19 E CA -0.324 56.086 56.400 0.015 0.000 0.777 19 E CB 1.003 30.686 29.700 -0.029 0.000 1.205 19 E HN 0.268 nan 8.360 nan 0.000 0.414 20 F N 1.454 121.439 119.950 0.058 0.000 2.764 20 F HA 0.349 4.876 4.527 -0.000 0.000 0.347 20 F C 0.953 176.781 175.800 0.047 0.000 1.151 20 F CA -0.762 57.267 58.000 0.048 0.000 1.021 20 F CB 1.019 40.033 39.000 0.023 0.000 1.438 20 F HN 0.381 nan 8.300 nan 0.000 0.516 21 D N -0.014 120.567 120.400 0.302 0.000 2.197 21 D HA 0.314 4.954 4.640 -0.000 0.000 0.212 21 D C 0.029 176.427 176.300 0.162 0.000 0.963 21 D CA 1.089 55.233 54.000 0.240 0.000 0.864 21 D CB 0.281 41.292 40.800 0.352 0.000 1.009 21 D HN 0.432 nan 8.370 nan 0.000 0.479 22 A N -0.175 122.710 122.820 0.108 0.000 2.539 22 A HA 0.642 4.962 4.320 -0.000 0.000 0.296 22 A C -1.196 176.315 177.584 -0.121 0.000 1.073 22 A CA -0.570 51.436 52.037 -0.052 0.000 0.700 22 A CB 1.783 20.672 19.000 -0.186 0.000 1.296 22 A HN -0.108 nan 8.150 nan 0.000 0.405 23 V N 0.408 120.220 119.914 -0.170 0.000 2.735 23 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 23 V C -0.592 175.370 176.094 -0.220 0.000 1.061 23 V CA -0.728 61.420 62.300 -0.255 0.000 0.913 23 V CB 1.583 33.259 31.823 -0.246 0.000 1.005 23 V HN 0.707 nan 8.190 nan 0.000 0.428 24 V N 3.864 123.633 119.914 -0.241 0.000 2.487 24 V HA 0.484 4.604 4.120 -0.000 0.000 0.298 24 V C -0.374 175.617 176.094 -0.171 0.000 1.028 24 V CA -0.605 61.584 62.300 -0.185 0.000 0.860 24 V CB 2.094 33.813 31.823 -0.173 0.000 0.991 24 V HN 0.669 nan 8.190 nan 0.000 0.427 25 V N 3.656 123.487 119.914 -0.139 0.000 2.328 25 V HA 0.911 5.031 4.120 -0.000 0.000 0.278 25 V C 0.547 176.578 176.094 -0.104 0.000 1.021 25 V CA 0.194 62.414 62.300 -0.134 0.000 0.838 25 V CB 0.661 32.402 31.823 -0.136 0.000 0.999 25 V HN 1.310 nan 8.190 nan 0.000 0.447 26 G N 3.914 112.660 108.800 -0.089 0.000 3.226 26 G HA2 0.381 4.341 3.960 -0.000 0.000 0.685 26 G HA3 0.381 4.341 3.960 -0.000 0.000 0.685 26 G C -0.361 174.516 174.900 -0.038 0.000 1.207 26 G CA -0.289 44.773 45.100 -0.064 0.000 0.877 26 G HN 1.459 nan 8.290 nan 0.000 0.585 27 A N 1.518 124.321 122.820 -0.029 0.000 3.041 27 A HA 0.818 5.138 4.320 -0.000 0.000 0.307 27 A C 1.179 178.740 177.584 -0.038 0.000 1.116 27 A CA 1.017 53.045 52.037 -0.015 0.000 1.001 27 A CB -0.108 18.882 19.000 -0.017 0.000 1.112 27 A HN 2.066 nan 8.150 nan 0.000 0.556 28 G N -0.596 108.191 108.800 -0.021 0.000 2.543 28 G HA2 0.443 4.403 3.960 -0.000 0.000 0.267 28 G HA3 0.443 4.403 3.960 -0.000 0.000 0.267 28 G C 1.110 176.015 174.900 0.008 0.000 1.406 28 G CA 0.157 45.251 45.100 -0.010 0.000 1.048 28 G HN 0.545 nan 8.290 nan 0.000 0.548 29 G N 0.007 108.824 108.800 0.029 0.000 2.480 29 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.216 29 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.216 29 G C 2.030 176.952 174.900 0.036 0.000 1.200 29 G CA 2.176 47.305 45.100 0.049 0.000 0.782 29 G HN 0.957 nan 8.290 nan 0.000 0.554 30 A N 0.870 123.714 122.820 0.040 0.000 1.851 30 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 30 A C 2.771 180.341 177.584 -0.023 0.000 1.195 30 A CA 2.462 54.515 52.037 0.026 0.000 0.622 30 A CB -1.332 17.697 19.000 0.048 0.000 0.831 30 A HN 0.662 nan 8.150 nan 0.000 0.444 31 G N -0.596 108.190 108.800 -0.022 0.000 2.421 31 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 31 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 31 G C 1.436 176.308 174.900 -0.046 0.000 1.171 31 G CA 1.212 46.285 45.100 -0.044 0.000 0.775 31 G HN 0.336 nan 8.290 nan 0.000 0.543 32 L N 0.546 121.767 121.223 -0.004 0.000 1.989 32 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 32 L C 2.808 179.605 176.870 -0.122 0.000 1.071 32 L CA 1.782 56.652 54.840 0.051 0.000 0.749 32 L CB -0.843 41.282 42.059 0.110 0.000 0.890 32 L HN 0.187 nan 8.230 nan 0.000 0.431 33 R N -0.336 120.039 120.500 -0.208 0.000 2.096 33 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 33 R C 2.102 178.055 176.300 -0.579 0.000 1.127 33 R CA 1.571 57.348 56.100 -0.540 0.000 0.968 33 R CB -0.641 29.517 30.300 -0.237 0.000 0.861 33 R HN 0.395 nan 8.270 nan 0.000 0.440 34 A N -0.054 122.579 122.820 -0.313 0.000 1.898 34 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 34 A C 2.339 179.744 177.584 -0.298 0.000 1.181 34 A CA 1.570 53.441 52.037 -0.277 0.000 0.620 34 A CB -1.023 17.865 19.000 -0.186 0.000 0.819 34 A HN 0.450 nan 8.150 nan 0.000 0.442 35 A N 0.114 122.796 122.820 -0.230 0.000 1.845 35 A HA -0.000 4.320 4.320 -0.000 0.000 0.215 35 A C 2.008 179.515 177.584 -0.129 0.000 1.195 35 A CA 1.808 53.748 52.037 -0.161 0.000 0.616 35 A CB -1.013 17.957 19.000 -0.050 0.000 0.832 35 A HN 1.103 nan 8.150 nan 0.000 0.443 36 F N 0.703 120.588 119.950 -0.108 0.000 2.365 36 F HA 0.186 4.713 4.527 0.000 0.000 0.300 36 F C 1.912 177.473 175.800 -0.397 0.000 1.090 36 F CA 0.637 58.480 58.000 -0.263 0.000 1.408 36 F CB -1.206 37.676 39.000 -0.198 0.000 1.060 36 F HN 0.088 nan 8.300 nan 0.000 0.534 37 G N 1.363 109.873 108.800 -0.483 0.000 2.422 37 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 37 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 37 G C 1.744 176.532 174.900 -0.187 0.000 1.140 37 G CA 0.867 45.784 45.100 -0.305 0.000 0.775 37 G HN 0.474 nan 8.290 nan 0.000 0.545 38 L N 0.555 121.650 121.223 -0.214 0.000 2.109 38 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 38 L C 3.128 180.005 176.870 0.012 0.000 1.086 38 L CA 0.904 55.644 54.840 -0.167 0.000 0.760 38 L CB -0.129 41.780 42.059 -0.251 0.000 0.910 38 L HN 0.174 nan 8.230 nan 0.000 0.437 39 S N -0.612 115.051 115.700 -0.061 0.000 2.357 39 S HA -0.218 4.252 4.470 -0.000 0.000 0.221 39 S C 1.811 176.391 174.600 -0.033 0.000 1.031 39 S CA 1.127 59.321 58.200 -0.010 0.000 0.982 39 S CB -0.161 63.012 63.200 -0.045 0.000 0.853 39 S HN 0.406 nan 8.310 nan 0.000 0.458 40 E N 1.271 121.289 120.200 -0.304 0.000 2.219 40 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 40 E C 1.674 178.330 176.600 0.094 0.000 0.998 40 E CA 1.086 57.414 56.400 -0.120 0.000 0.818 40 E CB -0.168 29.446 29.700 -0.142 0.000 0.741 40 E HN 0.502 nan 8.360 nan 0.000 0.477 41 A N -0.260 122.623 122.820 0.104 0.000 2.208 41 A HA 0.249 4.569 4.320 -0.000 0.000 0.209 41 A C 1.631 179.317 177.584 0.169 0.000 1.161 41 A CA 0.888 53.036 52.037 0.185 0.000 0.782 41 A CB -0.136 19.029 19.000 0.274 0.000 0.816 41 A HN 0.471 nan 8.150 nan 0.000 0.477 42 G N -2.118 106.766 108.800 0.140 0.000 2.134 42 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.209 42 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.209 42 G C -0.189 174.656 174.900 -0.092 0.000 0.993 42 G CA -0.061 45.046 45.100 0.012 0.000 0.669 42 G HN 0.271 nan 8.290 nan 0.000 0.519 43 F N 0.779 120.731 119.950 0.003 0.000 2.422 43 F HA 0.436 4.963 4.527 -0.000 0.000 0.333 43 F C 0.786 176.604 175.800 0.030 0.000 1.095 43 F CA -1.102 56.901 58.000 0.005 0.000 1.038 43 F CB 1.266 40.251 39.000 -0.025 0.000 1.156 43 F HN 0.080 nan 8.300 nan 0.000 0.483 44 N N 1.835 120.672 118.700 0.228 0.000 2.415 44 N HA 0.113 4.853 4.740 -0.000 0.000 0.250 44 N C -1.062 174.632 175.510 0.307 0.000 1.127 44 N CA -0.011 53.174 53.050 0.225 0.000 0.945 44 N CB 0.346 38.933 38.487 0.166 0.000 1.196 44 N HN 0.570 nan 8.380 nan 0.000 0.499 45 T N 1.972 116.642 114.554 0.193 0.000 2.859 45 T HA 0.568 4.918 4.350 -0.000 0.000 0.281 45 T C -0.319 174.263 174.700 -0.197 0.000 1.005 45 T CA -0.547 61.560 62.100 0.011 0.000 1.025 45 T CB 1.644 70.464 68.868 -0.080 0.000 0.977 45 T HN 0.563 nan 8.240 nan 0.000 0.458 46 A N 1.061 123.572 122.820 -0.515 0.000 2.355 46 A HA 0.710 5.030 4.320 -0.000 0.000 0.324 46 A C -0.444 176.825 177.584 -0.525 0.000 1.117 46 A CA -0.720 50.844 52.037 -0.787 0.000 0.785 46 A CB 1.031 19.066 19.000 -1.608 0.000 1.254 46 A HN 0.949 nan 8.150 nan 0.000 0.453 47 C N 2.800 121.849 119.300 -0.419 0.000 2.383 47 C HA 0.635 5.095 4.460 -0.000 0.000 0.330 47 C C -0.788 174.114 174.990 -0.146 0.000 1.168 47 C CA -0.311 58.538 59.018 -0.282 0.000 1.374 47 C CB -0.459 27.129 27.740 -0.253 0.000 2.014 47 C HN 0.697 nan 8.230 nan 0.000 0.439 48 V N 5.734 125.530 119.914 -0.196 0.000 2.407 48 V HA 0.679 4.799 4.120 -0.000 0.000 0.278 48 V C 0.524 176.579 176.094 -0.064 0.000 1.037 48 V CA 0.236 62.447 62.300 -0.148 0.000 0.900 48 V CB 1.658 33.337 31.823 -0.240 0.000 0.983 48 V HN 0.930 nan 8.190 nan 0.000 0.459 49 T N 3.942 118.503 114.554 0.011 0.000 2.952 49 T HA 0.325 4.675 4.350 -0.000 0.000 0.305 49 T C 0.569 175.311 174.700 0.071 0.000 1.064 49 T CA -0.687 61.420 62.100 0.012 0.000 1.008 49 T CB 1.382 70.255 68.868 0.009 0.000 1.078 49 T HN 0.853 nan 8.240 nan 0.000 0.459 50 K N 4.105 124.522 120.400 0.028 0.000 2.459 50 K HA 0.305 4.625 4.320 -0.000 0.000 0.193 50 K C 0.198 176.868 176.600 0.118 0.000 1.030 50 K CA 0.208 56.544 56.287 0.081 0.000 1.026 50 K CB 0.140 32.674 32.500 0.056 0.000 0.809 50 K HN 0.416 nan 8.250 nan 0.000 0.504 51 L N 0.462 121.750 121.223 0.107 0.000 2.327 51 L HA 0.425 4.765 4.340 -0.000 0.000 0.258 51 L C -0.592 176.360 176.870 0.136 0.000 1.024 51 L CA -1.560 53.368 54.840 0.147 0.000 0.825 51 L CB 1.161 43.286 42.059 0.110 0.000 1.386 51 L HN -0.120 nan 8.230 nan 0.000 0.417 52 F N 2.802 122.781 119.950 0.049 0.000 2.538 52 F HA 0.198 4.725 4.527 0.000 0.000 0.371 52 F C -1.527 174.209 175.800 -0.106 0.000 1.087 52 F CA -1.572 56.414 58.000 -0.024 0.000 1.250 52 F CB 0.797 39.767 39.000 -0.049 0.000 1.110 52 F HN 0.277 nan 8.300 nan 0.000 0.570 53 P HA -0.254 nan 4.420 nan 0.000 0.222 53 P C 1.478 178.447 177.300 -0.551 0.000 1.157 53 P CA 2.448 65.155 63.100 -0.655 0.000 0.905 53 P CB -0.034 31.191 31.700 -0.792 0.000 0.792 54 T N -1.227 112.893 114.554 -0.724 0.000 3.072 54 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 54 T C 1.369 175.974 174.700 -0.158 0.000 1.127 54 T CA 0.701 62.536 62.100 -0.442 0.000 1.107 54 T CB -0.369 68.288 68.868 -0.351 0.000 0.910 54 T HN 0.022 nan 8.240 nan 0.000 0.513 55 R N 1.085 121.567 120.500 -0.030 0.000 2.300 55 R HA 0.302 4.642 4.340 -0.000 0.000 0.199 55 R C 1.037 177.348 176.300 0.018 0.000 0.920 55 R CA -0.090 56.037 56.100 0.046 0.000 1.046 55 R CB -0.429 29.945 30.300 0.123 0.000 0.984 55 R HN 0.191 nan 8.270 nan 0.000 0.493 56 S N 0.913 116.593 115.700 -0.033 0.000 2.559 56 S HA -0.087 4.383 4.470 -0.000 0.000 0.282 56 S C 1.239 175.857 174.600 0.029 0.000 1.336 56 S CA -0.057 58.142 58.200 -0.001 0.000 1.037 56 S CB 0.569 63.748 63.200 -0.036 0.000 0.853 56 S HN 0.414 nan 8.310 nan 0.000 0.523 57 H N 1.960 121.015 119.070 -0.025 0.000 2.422 57 H HA -0.113 4.443 4.556 0.000 0.000 0.298 57 H C 2.311 177.627 175.328 -0.019 0.000 1.098 57 H CA 2.267 58.300 56.048 -0.025 0.000 1.315 57 H CB -0.384 29.354 29.762 -0.040 0.000 1.382 57 H HN 0.749 nan 8.280 nan 0.000 0.523 58 T N -2.327 112.251 114.554 0.040 0.000 2.869 58 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 58 T C 2.039 176.708 174.700 -0.051 0.000 1.082 58 T CA 1.226 63.329 62.100 0.005 0.000 1.123 58 T CB -1.007 67.882 68.868 0.034 0.000 0.856 58 T HN 0.169 nan 8.240 nan 0.000 0.499 59 V N 1.690 121.562 119.914 -0.070 0.000 2.594 59 V HA -0.036 4.084 4.120 -0.000 0.000 0.253 59 V C 3.162 179.242 176.094 -0.024 0.000 1.069 59 V CA 1.440 63.732 62.300 -0.014 0.000 1.082 59 V CB -1.375 30.453 31.823 0.009 0.000 0.680 59 V HN 0.727 nan 8.190 nan 0.000 0.469 60 A N -0.009 122.705 122.820 -0.178 0.000 2.119 60 A HA 0.364 4.684 4.320 -0.000 0.000 0.216 60 A C 1.523 179.028 177.584 -0.132 0.000 1.152 60 A CA 0.719 52.631 52.037 -0.209 0.000 0.708 60 A CB -0.429 18.309 19.000 -0.436 0.000 0.805 60 A HN 0.566 nan 8.150 nan 0.000 0.460 61 A N -0.247 122.519 122.820 -0.090 0.000 2.520 61 A HA 0.344 4.664 4.320 -0.000 0.000 0.245 61 A C 0.764 178.360 177.584 0.020 0.000 1.072 61 A CA 0.392 52.424 52.037 -0.008 0.000 0.761 61 A CB 0.097 19.113 19.000 0.027 0.000 1.004 61 A HN 0.612 nan 8.150 nan 0.000 0.499 62 Q N 2.428 122.249 119.800 0.036 0.000 2.532 62 Q HA 0.122 4.462 4.340 -0.000 0.000 0.247 62 Q C 2.089 178.114 176.000 0.041 0.000 0.872 62 Q CA 0.448 56.272 55.803 0.034 0.000 0.963 62 Q CB 0.007 28.759 28.738 0.023 0.000 1.159 62 Q HN 0.875 nan 8.270 nan 0.000 0.598 63 G N 1.206 110.055 108.800 0.081 0.000 2.838 63 G HA2 0.049 4.009 3.960 -0.000 0.000 0.215 63 G HA3 0.049 4.009 3.960 -0.000 0.000 0.215 63 G C 0.629 175.449 174.900 -0.133 0.000 1.327 63 G CA 1.085 46.188 45.100 0.004 0.000 0.802 63 G HN 0.532 nan 8.290 nan 0.000 0.658 64 G N -2.029 106.743 108.800 -0.045 0.000 2.333 64 G HA2 0.377 4.337 3.960 -0.000 0.000 0.288 64 G HA3 0.377 4.337 3.960 -0.000 0.000 0.288 64 G C -1.964 172.975 174.900 0.064 0.000 1.286 64 G CA -0.031 45.063 45.100 -0.010 0.000 0.865 64 G HN 0.787 nan 8.290 nan 0.000 0.506 65 I N 1.491 122.120 120.570 0.097 0.000 2.478 65 I HA 0.434 4.604 4.170 -0.000 0.000 0.287 65 I C -0.990 175.175 176.117 0.080 0.000 1.042 65 I CA -1.077 60.299 61.300 0.127 0.000 1.067 65 I CB 1.355 39.467 38.000 0.187 0.000 1.233 65 I HN 0.469 nan 8.210 nan 0.000 0.431 66 N N 6.180 124.942 118.700 0.102 0.000 2.518 66 N HA 0.600 5.340 4.740 -0.000 0.000 0.266 66 N C -0.510 175.057 175.510 0.096 0.000 1.196 66 N CA -0.011 53.066 53.050 0.045 0.000 0.947 66 N CB 1.589 40.092 38.487 0.026 0.000 1.098 66 N HN 0.674 nan 8.380 nan 0.000 0.450 67 A N 0.492 123.312 122.820 -0.000 0.000 2.521 67 A HA 0.513 4.833 4.320 -0.000 0.000 0.298 67 A C -0.400 177.188 177.584 0.008 0.000 1.044 67 A CA -0.717 51.355 52.037 0.058 0.000 0.911 67 A CB 0.180 19.182 19.000 0.003 0.000 1.376 67 A HN 0.590 nan 8.150 nan 0.000 0.392 68 A N 2.765 125.637 122.820 0.087 0.000 3.004 68 A HA 0.417 4.737 4.320 -0.000 0.000 0.254 68 A C 1.016 178.601 177.584 0.001 0.000 1.857 68 A CA 0.171 52.233 52.037 0.041 0.000 1.460 68 A CB -1.091 17.966 19.000 0.094 0.000 0.963 68 A HN 0.957 nan 8.150 nan 0.000 0.624 69 L N 0.282 121.483 121.223 -0.036 0.000 2.275 69 L HA 0.017 4.357 4.340 -0.000 0.000 0.215 69 L C 1.920 178.762 176.870 -0.047 0.000 1.119 69 L CA 0.854 55.662 54.840 -0.054 0.000 0.790 69 L CB -0.321 41.682 42.059 -0.093 0.000 0.919 69 L HN 0.757 nan 8.230 nan 0.000 0.443 70 G N 0.097 108.873 108.800 -0.041 0.000 2.198 70 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 70 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 70 G C 0.578 175.464 174.900 -0.023 0.000 1.042 70 G CA 0.523 45.607 45.100 -0.026 0.000 0.791 70 G HN 0.326 nan 8.290 nan 0.000 0.502 71 N N -0.347 118.329 118.700 -0.040 0.000 2.250 71 N HA 0.048 4.788 4.740 -0.000 0.000 0.181 71 N C 2.373 177.874 175.510 -0.016 0.000 1.017 71 N CA 1.400 54.428 53.050 -0.036 0.000 0.866 71 N CB -0.177 38.272 38.487 -0.065 0.000 0.985 71 N HN 0.419 nan 8.380 nan 0.000 0.429 72 M N 0.384 119.975 119.600 -0.014 0.000 2.248 72 M HA 0.080 4.560 4.480 -0.000 0.000 0.265 72 M C 0.783 177.113 176.300 0.051 0.000 1.079 72 M CA 1.056 56.366 55.300 0.016 0.000 1.150 72 M CB -0.506 32.107 32.600 0.021 0.000 1.366 72 M HN 0.192 nan 8.290 nan 0.000 0.433 73 E N 0.533 120.766 120.200 0.056 0.000 2.408 73 E HA 0.243 4.593 4.350 -0.000 0.000 0.266 73 E C -1.186 175.448 176.600 0.056 0.000 1.025 73 E CA -0.638 55.801 56.400 0.064 0.000 0.881 73 E CB 1.065 30.816 29.700 0.086 0.000 1.660 73 E HN 0.252 nan 8.360 nan 0.000 0.458 74 E N 1.117 121.362 120.200 0.074 0.000 2.373 74 E HA 0.349 4.699 4.350 -0.000 0.000 0.267 74 E C -0.772 175.890 176.600 0.103 0.000 1.032 74 E CA -0.131 56.309 56.400 0.067 0.000 0.889 74 E CB 0.775 30.529 29.700 0.091 0.000 0.984 74 E HN 0.388 nan 8.360 nan 0.000 0.425 75 D N 1.156 121.530 120.400 -0.044 0.000 2.626 75 D HA 0.382 5.022 4.640 -0.000 0.000 0.278 75 D C -1.631 174.295 176.300 -0.623 0.000 1.211 75 D CA -0.714 53.187 54.000 -0.164 0.000 0.903 75 D CB 1.740 42.512 40.800 -0.046 0.000 1.408 75 D HN 0.466 nan 8.370 nan 0.000 0.454 76 N N 1.375 119.494 118.700 -0.970 0.000 2.478 76 N HA 0.063 4.803 4.740 -0.000 0.000 0.291 76 N C 0.993 176.099 175.510 -0.673 0.000 1.090 76 N CA -0.543 51.835 53.050 -1.120 0.000 0.911 76 N CB 0.943 38.133 38.487 -2.161 0.000 1.546 76 N HN 0.600 nan 8.380 nan 0.000 0.500 77 W N 4.482 125.605 121.300 -0.296 0.000 2.387 77 W HA -0.098 4.562 4.660 -0.000 0.000 0.272 77 W C 0.660 177.172 176.519 -0.012 0.000 1.224 77 W CA 0.269 57.570 57.345 -0.074 0.000 1.210 77 W CB -0.507 28.922 29.460 -0.052 0.000 1.125 77 W HN 0.445 nan 8.180 nan 0.000 0.572 78 R N -0.423 119.559 120.500 -0.863 0.000 2.148 78 R HA -0.122 4.218 4.340 -0.000 0.000 0.227 78 R C 2.022 178.300 176.300 -0.038 0.000 1.103 78 R CA 1.806 57.539 56.100 -0.611 0.000 0.983 78 R CB -0.653 29.168 30.300 -0.799 0.000 0.874 78 R HN 0.133 nan 8.270 nan 0.000 0.451 79 W N 0.075 121.187 121.300 -0.313 0.000 2.467 79 W HA -0.043 4.617 4.660 -0.000 0.000 0.275 79 W C 1.932 178.501 176.519 0.084 0.000 1.239 79 W CA 0.446 57.598 57.345 -0.322 0.000 1.266 79 W CB -1.076 28.144 29.460 -0.400 0.000 1.112 79 W HN 0.336 nan 8.180 nan 0.000 0.576 80 H N -1.317 117.888 119.070 0.226 0.000 2.395 80 H HA -0.192 4.364 4.556 0.000 0.000 0.299 80 H C 2.233 177.720 175.328 0.265 0.000 1.070 80 H CA 1.507 57.693 56.048 0.231 0.000 1.356 80 H CB -0.356 29.540 29.762 0.223 0.000 1.401 80 H HN -0.014 nan 8.280 nan 0.000 0.524 81 F N 0.807 120.900 119.950 0.239 0.000 2.069 81 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 81 F C 2.326 178.236 175.800 0.184 0.000 1.113 81 F CA 1.868 59.970 58.000 0.170 0.000 1.214 81 F CB -1.105 38.005 39.000 0.183 0.000 0.978 81 F HN 0.213 nan 8.300 nan 0.000 0.474 82 Y N 1.629 121.989 120.300 0.100 0.000 2.053 82 Y HA -0.300 4.250 4.550 -0.000 0.000 0.277 82 Y C 2.374 178.231 175.900 -0.071 0.000 1.159 82 Y CA 2.313 60.425 58.100 0.021 0.000 1.125 82 Y CB -0.949 37.739 38.460 0.379 0.000 0.969 82 Y HN 0.145 nan 8.280 nan 0.000 0.492 83 D N -0.652 119.827 120.400 0.132 0.000 2.133 83 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 83 D C 2.097 178.331 176.300 -0.110 0.000 0.997 83 D CA 2.183 56.204 54.000 0.034 0.000 0.840 83 D CB -0.537 40.385 40.800 0.203 0.000 0.947 83 D HN 0.448 nan 8.370 nan 0.000 0.452 84 T N 0.518 115.026 114.554 -0.077 0.000 2.777 84 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 84 T C 2.115 176.627 174.700 -0.314 0.000 1.040 84 T CA 0.954 62.985 62.100 -0.115 0.000 1.141 84 T CB -0.380 68.463 68.868 -0.042 0.000 0.868 84 T HN 0.052 nan 8.240 nan 0.000 0.444 85 V N 1.513 121.100 119.914 -0.544 0.000 2.427 85 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 85 V C 2.393 177.891 176.094 -0.994 0.000 1.051 85 V CA 1.957 63.836 62.300 -0.702 0.000 1.048 85 V CB -0.483 30.850 31.823 -0.816 0.000 0.666 85 V HN 0.396 nan 8.190 nan 0.000 0.456 86 K N 0.024 119.818 120.400 -1.010 0.000 2.057 86 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 86 K C 2.054 178.272 176.600 -0.635 0.000 1.050 86 K CA 1.597 57.189 56.287 -1.158 0.000 0.935 86 K CB -0.779 31.221 32.500 -0.832 0.000 0.715 86 K HN 0.571 nan 8.250 nan 0.000 0.439 87 G N 0.423 109.030 108.800 -0.322 0.000 2.498 87 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 87 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 87 G C 1.355 176.179 174.900 -0.126 0.000 1.119 87 G CA 0.977 46.023 45.100 -0.089 0.000 0.766 87 G HN 0.499 nan 8.290 nan 0.000 0.552 88 S N -0.567 114.979 115.700 -0.258 0.000 2.558 88 S HA 0.071 4.541 4.470 -0.000 0.000 0.217 88 S C 1.013 175.527 174.600 -0.143 0.000 0.975 88 S CA 0.824 58.917 58.200 -0.178 0.000 0.912 88 S CB 0.110 63.184 63.200 -0.210 0.000 0.776 88 S HN 0.215 nan 8.310 nan 0.000 0.526 89 D N 0.435 120.718 120.400 -0.195 0.000 2.870 89 D HA -0.187 4.453 4.640 -0.000 0.000 0.228 89 D C -0.519 175.926 176.300 0.242 0.000 1.147 89 D CA 1.049 55.098 54.000 0.082 0.000 0.757 89 D CB -1.948 38.959 40.800 0.179 0.000 1.091 89 D HN 0.682 nan 8.370 nan 0.000 0.429 90 W N -2.256 119.013 121.300 -0.052 0.000 4.435 90 W HA -0.302 4.358 4.660 0.000 0.000 0.351 90 W C 1.069 177.555 176.519 -0.055 0.000 1.319 90 W CA 0.599 57.902 57.345 -0.070 0.000 0.791 90 W CB -1.997 27.400 29.460 -0.105 0.000 2.419 90 W HN 0.290 nan 8.180 nan 0.000 1.406 91 L N -0.027 121.208 121.223 0.019 0.000 2.693 91 L HA 0.454 4.794 4.340 -0.000 0.000 0.235 91 L C 1.382 178.253 176.870 0.002 0.000 1.127 91 L CA 1.222 56.032 54.840 -0.050 0.000 0.914 91 L CB 0.084 42.055 42.059 -0.146 0.000 1.193 91 L HN -0.034 nan 8.230 nan 0.000 0.502 92 G N -0.261 108.526 108.800 -0.021 0.000 2.353 92 G HA2 0.250 4.210 3.960 -0.000 0.000 0.284 92 G HA3 0.250 4.210 3.960 -0.000 0.000 0.284 92 G C -0.879 174.061 174.900 0.065 0.000 1.172 92 G CA -0.503 44.601 45.100 0.007 0.000 0.854 92 G HN 0.097 nan 8.290 nan 0.000 0.485 93 D N 2.226 122.702 120.400 0.127 0.000 2.346 93 D HA 0.037 4.677 4.640 -0.000 0.000 0.260 93 D C 1.418 177.811 176.300 0.155 0.000 1.252 93 D CA 0.204 54.301 54.000 0.162 0.000 0.895 93 D CB 1.648 42.548 40.800 0.167 0.000 1.097 93 D HN 0.494 nan 8.370 nan 0.000 0.489 94 Q N 1.437 121.351 119.800 0.189 0.000 2.226 94 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 94 Q C 1.341 177.572 176.000 0.385 0.000 0.975 94 Q CA 0.968 56.950 55.803 0.298 0.000 0.866 94 Q CB 0.204 29.148 28.738 0.342 0.000 0.915 94 Q HN 0.542 nan 8.270 nan 0.000 0.440 95 D N 0.545 121.096 120.400 0.252 0.000 2.117 95 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 95 D C 1.725 178.109 176.300 0.139 0.000 0.982 95 D CA 1.386 55.476 54.000 0.150 0.000 0.828 95 D CB -0.338 40.496 40.800 0.056 0.000 0.967 95 D HN 0.160 nan 8.370 nan 0.000 0.464 96 A N 0.887 123.841 122.820 0.223 0.000 1.930 96 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 96 A C 2.546 180.364 177.584 0.390 0.000 1.175 96 A CA 0.916 53.152 52.037 0.330 0.000 0.627 96 A CB -0.777 18.360 19.000 0.229 0.000 0.815 96 A HN 0.273 nan 8.150 nan 0.000 0.443 97 I N -1.295 119.470 120.570 0.326 0.000 2.493 97 I HA -0.248 3.922 4.170 -0.000 0.000 0.254 97 I C 2.406 178.840 176.117 0.527 0.000 1.160 97 I CA 1.584 63.084 61.300 0.334 0.000 1.445 97 I CB -0.480 37.638 38.000 0.197 0.000 1.086 97 I HN 0.607 nan 8.210 nan 0.000 0.433 98 H N 0.001 119.323 119.070 0.419 0.000 2.307 98 H HA -0.260 4.296 4.556 -0.000 0.000 0.303 98 H C 2.425 177.788 175.328 0.057 0.000 1.073 98 H CA 1.678 57.864 56.048 0.230 0.000 1.338 98 H CB -0.061 29.719 29.762 0.030 0.000 1.389 98 H HN 0.279 nan 8.280 nan 0.000 0.503 99 Y N 0.860 121.153 120.300 -0.012 0.000 2.128 99 Y HA -0.317 4.233 4.550 -0.000 0.000 0.284 99 Y C 2.856 178.664 175.900 -0.153 0.000 1.154 99 Y CA 2.087 60.074 58.100 -0.188 0.000 1.149 99 Y CB -0.281 38.101 38.460 -0.131 0.000 0.976 99 Y HN 0.257 nan 8.280 nan 0.000 0.505 100 M N -0.367 119.300 119.600 0.111 0.000 2.086 100 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 100 M C 2.099 178.328 176.300 -0.118 0.000 1.067 100 M CA 2.559 57.847 55.300 -0.019 0.000 1.116 100 M CB -0.375 32.371 32.600 0.243 0.000 1.348 100 M HN 0.497 nan 8.290 nan 0.000 0.407 101 T N -2.722 111.803 114.554 -0.048 0.000 2.985 101 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 101 T C 1.514 176.136 174.700 -0.130 0.000 1.076 101 T CA 1.352 63.407 62.100 -0.076 0.000 1.135 101 T CB -0.408 68.490 68.868 0.050 0.000 0.890 101 T HN 0.635 nan 8.240 nan 0.000 0.480 102 E N 0.756 120.671 120.200 -0.474 0.000 2.152 102 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 102 E C 2.306 178.447 176.600 -0.765 0.000 0.983 102 E CA 0.715 56.394 56.400 -1.202 0.000 0.818 102 E CB -0.108 28.672 29.700 -1.534 0.000 0.758 102 E HN 0.512 nan 8.360 nan 0.000 0.467 103 Q N 0.220 119.655 119.800 -0.609 0.000 2.331 103 Q HA 0.119 4.459 4.340 -0.000 0.000 0.203 103 Q C 1.699 177.517 176.000 -0.304 0.000 0.944 103 Q CA 1.116 56.612 55.803 -0.512 0.000 0.892 103 Q CB -0.181 28.139 28.738 -0.697 0.000 0.983 103 Q HN 0.330 nan 8.270 nan 0.000 0.482 104 A N 1.450 124.145 122.820 -0.209 0.000 1.896 104 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 104 A C -0.376 177.170 177.584 -0.063 0.000 1.206 104 A CA 1.865 53.862 52.037 -0.067 0.000 0.647 104 A CB -1.835 17.208 19.000 0.071 0.000 0.828 104 A HN 0.454 nan 8.150 nan 0.000 0.455 105 P HA -0.164 nan 4.420 nan 0.000 0.214 105 P C 1.781 179.021 177.300 -0.099 0.000 1.163 105 P CA 2.174 65.229 63.100 -0.076 0.000 0.889 105 P CB -0.179 31.477 31.700 -0.073 0.000 0.790 106 A N -0.924 121.817 122.820 -0.133 0.000 1.933 106 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 106 A C 2.313 179.828 177.584 -0.114 0.000 1.175 106 A CA 2.078 54.039 52.037 -0.126 0.000 0.628 106 A CB -1.494 17.416 19.000 -0.151 0.000 0.814 106 A HN 0.127 nan 8.150 nan 0.000 0.444 107 S N -0.624 115.010 115.700 -0.111 0.000 2.383 107 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 107 S C 1.846 176.423 174.600 -0.039 0.000 1.026 107 S CA 1.319 59.472 58.200 -0.078 0.000 0.981 107 S CB -0.302 62.858 63.200 -0.068 0.000 0.818 107 S HN 0.333 nan 8.310 nan 0.000 0.472 108 V N 1.389 121.288 119.914 -0.025 0.000 2.379 108 V HA -0.077 4.043 4.120 -0.000 0.000 0.245 108 V C 2.244 178.335 176.094 -0.005 0.000 1.044 108 V CA 1.161 63.471 62.300 0.017 0.000 1.036 108 V CB -0.491 31.305 31.823 -0.043 0.000 0.664 108 V HN 0.325 nan 8.190 nan 0.000 0.453 109 V N -0.003 119.872 119.914 -0.065 0.000 2.490 109 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 109 V C 2.404 178.440 176.094 -0.097 0.000 1.061 109 V CA 2.161 64.421 62.300 -0.068 0.000 1.064 109 V CB -0.526 31.251 31.823 -0.076 0.000 0.670 109 V HN 0.668 nan 8.190 nan 0.000 0.461 110 E N 0.118 120.219 120.200 -0.166 0.000 2.077 110 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 110 E C 2.242 178.486 176.600 -0.593 0.000 0.989 110 E CA 1.203 57.370 56.400 -0.387 0.000 0.800 110 E CB -0.068 29.418 29.700 -0.357 0.000 0.746 110 E HN 0.570 nan 8.360 nan 0.000 0.452 111 L N 0.965 122.059 121.223 -0.216 0.000 2.017 111 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 111 L C 2.853 179.788 176.870 0.109 0.000 1.073 111 L CA 1.151 55.991 54.840 0.001 0.000 0.745 111 L CB -0.489 41.687 42.059 0.194 0.000 0.894 111 L HN 0.221 nan 8.230 nan 0.000 0.432 112 E N 0.668 120.993 120.200 0.207 0.000 2.110 112 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 112 E C 1.718 178.389 176.600 0.119 0.000 0.988 112 E CA 1.219 57.773 56.400 0.256 0.000 0.804 112 E CB -0.041 29.821 29.700 0.270 0.000 0.745 112 E HN 0.422 nan 8.360 nan 0.000 0.458 113 N N -0.236 118.478 118.700 0.023 0.000 2.381 113 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 113 N C 1.427 177.022 175.510 0.142 0.000 1.025 113 N CA 0.629 53.700 53.050 0.034 0.000 0.888 113 N CB -0.374 38.098 38.487 -0.026 0.000 0.965 113 N HN 0.402 nan 8.380 nan 0.000 0.438 114 Y N -0.934 119.400 120.300 0.056 0.000 2.516 114 Y HA 0.066 4.616 4.550 -0.000 0.000 0.291 114 Y C 1.642 177.545 175.900 0.006 0.000 1.131 114 Y CA 0.171 58.283 58.100 0.020 0.000 1.281 114 Y CB 0.417 38.894 38.460 0.028 0.000 1.013 114 Y HN 0.180 nan 8.280 nan 0.000 0.554 115 G N 0.266 109.172 108.800 0.176 0.000 2.227 115 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.168 115 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.168 115 G C 0.119 175.053 174.900 0.056 0.000 1.006 115 G CA -0.357 44.801 45.100 0.096 0.000 0.684 115 G HN 0.173 nan 8.290 nan 0.000 0.489 116 M N 3.094 122.720 119.600 0.043 0.000 2.327 116 M HA 0.269 4.749 4.480 -0.000 0.000 0.353 116 M C -1.421 174.803 176.300 -0.128 0.000 1.539 116 M CA -0.710 54.519 55.300 -0.118 0.000 1.039 116 M CB 0.528 32.944 32.600 -0.307 0.000 1.967 116 M HN 0.018 nan 8.290 nan 0.000 0.459 117 P HA 0.042 nan 4.420 nan 0.000 0.226 117 P C -0.901 176.387 177.300 -0.020 0.000 1.783 117 P CA 0.049 63.129 63.100 -0.033 0.000 0.980 117 P CB -0.746 30.943 31.700 -0.017 0.000 1.967 118 F N 0.706 120.686 119.950 0.050 0.000 2.589 118 F HA -0.001 4.526 4.527 -0.000 0.000 0.352 118 F C 1.591 177.421 175.800 0.051 0.000 1.168 118 F CA 0.761 58.794 58.000 0.055 0.000 1.353 118 F CB 0.157 39.189 39.000 0.053 0.000 1.116 118 F HN 0.058 nan 8.300 nan 0.000 0.608 119 S N 3.636 119.522 115.700 0.311 0.000 2.565 119 S HA 0.384 4.854 4.470 -0.000 0.000 0.276 119 S C 0.174 174.881 174.600 0.178 0.000 1.326 119 S CA -0.865 57.430 58.200 0.158 0.000 1.045 119 S CB 0.581 63.835 63.200 0.089 0.000 0.918 119 S HN 0.308 nan 8.310 nan 0.000 0.505 120 R N 1.326 121.877 120.500 0.085 0.000 2.674 120 R HA 0.566 4.906 4.340 -0.000 0.000 0.266 120 R C 0.658 176.998 176.300 0.067 0.000 1.016 120 R CA -0.603 55.548 56.100 0.086 0.000 1.062 120 R CB 0.763 31.096 30.300 0.055 0.000 1.142 120 R HN 0.792 nan 8.270 nan 0.000 0.517 121 T N -2.804 111.800 114.554 0.083 0.000 2.910 121 T HA 0.157 4.507 4.350 -0.000 0.000 0.279 121 T C 1.034 175.755 174.700 0.035 0.000 0.989 121 T CA -0.599 61.548 62.100 0.078 0.000 0.968 121 T CB 1.191 70.111 68.868 0.086 0.000 1.135 121 T HN 0.457 nan 8.240 nan 0.000 0.562 122 E N -0.124 120.092 120.200 0.027 0.000 2.268 122 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 122 E C 1.305 177.914 176.600 0.014 0.000 0.995 122 E CA 1.139 57.547 56.400 0.014 0.000 0.836 122 E CB -0.473 29.233 29.700 0.011 0.000 0.763 122 E HN 0.624 nan 8.360 nan 0.000 0.491 123 D N -0.924 119.487 120.400 0.018 0.000 2.355 123 D HA 0.063 4.703 4.640 -0.000 0.000 0.218 123 D C 0.808 177.116 176.300 0.014 0.000 1.004 123 D CA 0.938 54.946 54.000 0.014 0.000 0.880 123 D CB 0.343 41.150 40.800 0.012 0.000 0.911 123 D HN 0.343 nan 8.370 nan 0.000 0.528 124 G N 1.438 110.249 108.800 0.019 0.000 2.137 124 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.237 124 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.237 124 G C 0.246 175.160 174.900 0.023 0.000 1.002 124 G CA 0.059 45.172 45.100 0.022 0.000 0.702 124 G HN 0.280 nan 8.290 nan 0.000 0.515 125 K N -0.617 119.795 120.400 0.020 0.000 2.185 125 K HA 0.677 4.997 4.320 -0.000 0.000 0.240 125 K C 0.868 177.471 176.600 0.006 0.000 0.983 125 K CA -1.179 55.109 56.287 0.002 0.000 0.873 125 K CB 1.476 33.968 32.500 -0.013 0.000 1.118 125 K HN 0.157 nan 8.250 nan 0.000 0.441 126 I N 2.413 122.949 120.570 -0.057 0.000 2.741 126 I HA -0.150 4.020 4.170 -0.000 0.000 0.288 126 I C 0.030 176.118 176.117 -0.049 0.000 1.192 126 I CA 0.234 61.463 61.300 -0.118 0.000 1.426 126 I CB -0.158 37.589 38.000 -0.422 0.000 1.367 126 I HN 0.474 nan 8.210 nan 0.000 0.563 127 Y N 7.839 128.090 120.300 -0.080 0.000 2.319 127 Y HA 0.297 4.847 4.550 0.000 0.000 0.328 127 Y C -0.208 175.643 175.900 -0.081 0.000 1.133 127 Y CA -0.293 57.771 58.100 -0.060 0.000 1.265 127 Y CB 0.562 39.008 38.460 -0.024 0.000 1.218 127 Y HN 0.524 nan 8.280 nan 0.000 0.508 128 Q N 4.524 123.858 119.800 -0.777 0.000 2.416 128 Q HA 0.658 4.998 4.340 -0.000 0.000 0.279 128 Q C -1.240 174.203 176.000 -0.928 0.000 1.101 128 Q CA -1.461 53.952 55.803 -0.650 0.000 0.830 128 Q CB 2.464 31.007 28.738 -0.325 0.000 1.402 128 Q HN 0.588 nan 8.270 nan 0.000 0.445 129 R N -0.345 119.837 120.500 -0.530 0.000 2.781 129 R HA 0.699 5.039 4.340 -0.000 0.000 0.269 129 R C -1.678 174.583 176.300 -0.065 0.000 1.025 129 R CA -0.529 55.353 56.100 -0.362 0.000 0.914 129 R CB 1.560 31.686 30.300 -0.290 0.000 1.236 129 R HN 0.800 nan 8.270 nan 0.000 0.465 130 A N 1.535 124.433 122.820 0.129 0.000 2.425 130 A HA 0.548 4.868 4.320 -0.000 0.000 0.242 130 A C -0.806 176.954 177.584 0.294 0.000 1.077 130 A CA 0.422 52.641 52.037 0.304 0.000 0.781 130 A CB -0.056 19.166 19.000 0.370 0.000 1.020 130 A HN 0.524 nan 8.150 nan 0.000 0.494 131 F N -1.023 118.953 119.950 0.043 0.000 2.741 131 F HA 0.469 4.996 4.527 -0.000 0.000 0.311 131 F C 0.941 176.739 175.800 -0.004 0.000 1.149 131 F CA -0.664 57.343 58.000 0.013 0.000 0.930 131 F CB 1.264 40.266 39.000 0.003 0.000 1.312 131 F HN 0.932 nan 8.300 nan 0.000 0.450 132 G N 1.459 110.123 108.800 -0.226 0.000 2.164 132 G HA2 0.262 4.223 3.960 -0.000 0.000 0.259 132 G HA3 0.262 4.223 3.960 -0.000 0.000 0.259 132 G C 0.738 175.573 174.900 -0.109 0.000 0.894 132 G CA 0.506 45.460 45.100 -0.245 0.000 0.961 132 G HN 1.538 nan 8.290 nan 0.000 0.369 133 G N 2.048 110.822 108.800 -0.043 0.000 2.334 133 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.279 133 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.279 133 G C 0.110 175.095 174.900 0.141 0.000 0.918 133 G CA 0.584 45.753 45.100 0.115 0.000 1.314 133 G HN 0.959 nan 8.290 nan 0.000 0.463 134 Q N -0.019 119.843 119.800 0.103 0.000 2.275 134 Q HA 0.523 4.863 4.340 -0.000 0.000 0.266 134 Q C 0.025 176.049 176.000 0.040 0.000 1.002 134 Q CA -0.221 55.633 55.803 0.085 0.000 0.761 134 Q CB 2.058 30.831 28.738 0.059 0.000 1.255 134 Q HN 0.652 nan 8.270 nan 0.000 0.446 135 S N 2.212 117.940 115.700 0.046 0.000 2.801 135 S HA 0.776 5.246 4.470 -0.000 0.000 0.312 135 S C -0.192 174.342 174.600 -0.111 0.000 1.112 135 S CA -0.798 57.376 58.200 -0.043 0.000 0.943 135 S CB 1.137 64.311 63.200 -0.043 0.000 1.269 135 S HN 0.467 nan 8.310 nan 0.000 0.558 136 L N 0.140 121.192 121.223 -0.284 0.000 2.298 136 L HA 0.554 4.894 4.340 -0.000 0.000 0.268 136 L C -0.107 176.124 176.870 -1.064 0.000 1.010 136 L CA -1.385 53.089 54.840 -0.610 0.000 0.812 136 L CB 0.737 42.500 42.059 -0.494 0.000 1.331 136 L HN 0.801 nan 8.230 nan 0.000 0.450 137 K N 1.587 120.665 120.400 -2.203 0.000 3.415 137 K HA -0.253 4.067 4.320 -0.000 0.000 0.271 137 K C -0.777 175.325 176.600 -0.830 0.000 0.876 137 K CA 0.561 55.852 56.287 -1.660 0.000 0.670 137 K CB -1.575 30.437 32.500 -0.814 0.000 1.510 137 K HN 0.502 nan 8.250 nan 0.000 0.455 138 F N -0.961 118.465 119.950 -0.873 0.000 2.983 138 F HA -0.267 4.260 4.527 0.000 0.000 0.288 138 F C 1.318 176.630 175.800 -0.813 0.000 0.980 138 F CA 1.205 58.712 58.000 -0.822 0.000 0.965 138 F CB -2.086 36.472 39.000 -0.737 0.000 0.967 138 F HN 0.619 nan 8.300 nan 0.000 0.800 139 G N -1.014 107.594 108.800 -0.321 0.000 2.179 139 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.260 139 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.260 139 G C 1.186 176.003 174.900 -0.139 0.000 0.977 139 G CA 0.592 45.631 45.100 -0.101 0.000 0.641 139 G HN 0.426 nan 8.290 nan 0.000 0.533 140 K N -0.236 120.030 120.400 -0.223 0.000 2.329 140 K HA 0.197 4.517 4.320 -0.000 0.000 0.198 140 K C 2.408 178.887 176.600 -0.203 0.000 1.085 140 K CA 0.892 57.071 56.287 -0.180 0.000 0.961 140 K CB -0.589 31.811 32.500 -0.167 0.000 0.971 140 K HN 0.405 nan 8.250 nan 0.000 0.502 141 G N 1.363 109.975 108.800 -0.314 0.000 2.776 141 G HA2 0.226 4.186 3.960 -0.000 0.000 0.209 141 G HA3 0.226 4.186 3.960 -0.000 0.000 0.209 141 G C 0.593 175.364 174.900 -0.215 0.000 1.145 141 G CA 0.674 45.593 45.100 -0.302 0.000 0.791 141 G HN 0.510 nan 8.290 nan 0.000 0.530 142 G N -1.011 107.684 108.800 -0.174 0.000 2.592 142 G HA2 0.054 4.014 3.960 -0.000 0.000 0.684 142 G HA3 0.054 4.014 3.960 -0.000 0.000 0.684 142 G C -0.405 174.412 174.900 -0.139 0.000 1.291 142 G CA -0.190 44.835 45.100 -0.124 0.000 0.891 142 G HN 0.628 nan 8.290 nan 0.000 0.544 143 Q N 0.094 119.821 119.800 -0.120 0.000 2.263 143 Q HA 0.548 4.888 4.340 -0.000 0.000 0.289 143 Q C 0.582 176.370 176.000 -0.353 0.000 1.061 143 Q CA 1.298 57.005 55.803 -0.160 0.000 0.927 143 Q CB 0.520 29.200 28.738 -0.097 0.000 1.154 143 Q HN 1.830 nan 8.270 nan 0.000 0.378 144 A N 4.675 127.325 122.820 -0.283 0.000 2.279 144 A HA 0.517 4.837 4.320 -0.000 0.000 0.303 144 A C -1.135 176.225 177.584 -0.373 0.000 1.108 144 A CA -0.486 51.369 52.037 -0.303 0.000 0.830 144 A CB 0.558 19.508 19.000 -0.083 0.000 1.106 144 A HN 0.968 nan 8.150 nan 0.000 0.493 145 H N 0.382 119.439 119.070 -0.022 0.000 2.569 145 H HA 0.381 4.937 4.556 0.000 0.000 0.247 145 H C 0.377 175.635 175.328 -0.117 0.000 1.346 145 H CA -0.352 55.649 56.048 -0.078 0.000 1.502 145 H CB 0.672 30.380 29.762 -0.089 0.000 1.512 145 H HN 0.722 nan 8.280 nan 0.000 0.502 146 R N 0.298 120.779 120.500 -0.031 0.000 2.566 146 R HA 0.224 4.564 4.340 -0.000 0.000 0.388 146 R C -0.487 175.734 176.300 -0.132 0.000 0.989 146 R CA -0.283 55.760 56.100 -0.095 0.000 1.164 146 R CB -0.253 29.984 30.300 -0.105 0.000 1.459 146 R HN 0.291 nan 8.270 nan 0.000 0.553 147 C N 3.120 122.333 119.300 -0.144 0.000 2.311 147 C HA 0.437 4.897 4.460 -0.000 0.000 0.357 147 C C 0.717 175.583 174.990 -0.206 0.000 1.086 147 C CA -0.725 58.186 59.018 -0.179 0.000 1.486 147 C CB -1.664 25.897 27.740 -0.299 0.000 1.974 147 C HN 0.678 nan 8.230 nan 0.000 0.508 148 C N 4.934 124.147 119.300 -0.145 0.000 2.662 148 C HA 0.577 5.037 4.460 -0.000 0.000 0.420 148 C C 0.817 175.865 174.990 0.098 0.000 1.314 148 C CA -0.440 58.494 59.018 -0.141 0.000 1.963 148 C CB -1.793 25.765 27.740 -0.303 0.000 2.686 148 C HN 1.009 nan 8.230 nan 0.000 0.609 149 C N 0.495 119.956 119.300 0.270 0.000 3.307 149 C HA 0.676 5.136 4.460 -0.000 0.000 0.333 149 C C -0.933 174.308 174.990 0.419 0.000 1.291 149 C CA -0.722 58.507 59.018 0.351 0.000 1.273 149 C CB 0.213 28.034 27.740 0.135 0.000 1.580 149 C HN 0.616 nan 8.230 nan 0.000 0.481 150 V N 3.401 123.432 119.914 0.195 0.000 2.247 150 V HA 0.622 4.742 4.120 -0.000 0.000 0.262 150 V C 1.251 177.383 176.094 0.064 0.000 1.096 150 V CA 1.426 63.775 62.300 0.082 0.000 0.895 150 V CB -0.245 31.537 31.823 -0.068 0.000 1.141 150 V HN 2.241 nan 8.190 nan 0.000 0.478 151 A N 4.750 127.613 122.820 0.072 0.000 5.236 151 A HA -0.373 3.947 4.320 -0.000 0.000 0.326 151 A C 1.261 178.863 177.584 0.029 0.000 1.825 151 A CA 2.046 54.096 52.037 0.023 0.000 0.710 151 A CB -1.496 17.498 19.000 -0.009 0.000 1.383 151 A HN 0.879 nan 8.150 nan 0.000 0.386 152 D N -0.862 119.542 120.400 0.006 0.000 2.513 152 D HA 0.307 4.947 4.640 -0.000 0.000 0.222 152 D C 0.820 177.120 176.300 0.000 0.000 1.210 152 D CA 0.168 54.171 54.000 0.005 0.000 0.825 152 D CB 0.099 40.896 40.800 -0.005 0.000 1.037 152 D HN 0.454 nan 8.370 nan 0.000 0.506 153 R N -0.231 120.270 120.500 0.002 0.000 2.816 153 R HA 0.153 4.493 4.340 -0.000 0.000 0.382 153 R C 1.346 177.689 176.300 0.071 0.000 1.140 153 R CA 0.332 56.439 56.100 0.011 0.000 1.050 153 R CB 0.500 30.756 30.300 -0.074 0.000 1.396 153 R HN 0.126 nan 8.270 nan 0.000 0.583 154 T N -3.207 111.377 114.554 0.050 0.000 2.788 154 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 154 T C 2.016 176.744 174.700 0.048 0.000 1.044 154 T CA 1.556 63.678 62.100 0.036 0.000 1.139 154 T CB -0.091 68.811 68.868 0.057 0.000 0.867 154 T HN 0.349 nan 8.240 nan 0.000 0.454 155 G N 1.262 110.101 108.800 0.065 0.000 2.433 155 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.216 155 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.216 155 G C 1.549 176.494 174.900 0.075 0.000 1.186 155 G CA 0.962 46.096 45.100 0.057 0.000 0.779 155 G HN 0.731 nan 8.290 nan 0.000 0.543 156 H N 0.872 119.952 119.070 0.017 0.000 2.319 156 H HA -0.126 4.430 4.556 -0.000 0.000 0.297 156 H C 2.540 177.956 175.328 0.146 0.000 1.097 156 H CA 2.045 58.142 56.048 0.081 0.000 1.285 156 H CB -0.501 29.309 29.762 0.081 0.000 1.368 156 H HN 0.341 nan 8.280 nan 0.000 0.495 157 S N -0.078 115.707 115.700 0.141 0.000 2.387 157 S HA -0.084 4.386 4.470 -0.000 0.000 0.226 157 S C 2.287 176.870 174.600 -0.027 0.000 1.026 157 S CA 0.837 59.055 58.200 0.029 0.000 0.972 157 S CB -0.410 62.814 63.200 0.040 0.000 0.814 157 S HN 0.401 nan 8.310 nan 0.000 0.477 158 L N 1.409 122.619 121.223 -0.021 0.000 2.017 158 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 158 L C 2.104 178.989 176.870 0.025 0.000 1.073 158 L CA 1.769 56.610 54.840 0.003 0.000 0.745 158 L CB -0.994 41.083 42.059 0.030 0.000 0.894 158 L HN 0.394 nan 8.230 nan 0.000 0.432 159 L N -0.615 120.594 121.223 -0.022 0.000 2.017 159 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 159 L C 2.666 179.477 176.870 -0.097 0.000 1.073 159 L CA 1.876 56.671 54.840 -0.075 0.000 0.745 159 L CB -1.029 40.930 42.059 -0.166 0.000 0.894 159 L HN 0.428 nan 8.230 nan 0.000 0.432 160 H N -1.069 117.934 119.070 -0.112 0.000 2.387 160 H HA -0.119 4.438 4.556 0.000 0.000 0.299 160 H C 2.188 177.524 175.328 0.014 0.000 1.090 160 H CA 2.128 58.134 56.048 -0.071 0.000 1.332 160 H CB -0.381 29.248 29.762 -0.222 0.000 1.386 160 H HN 0.550 nan 8.280 nan 0.000 0.516 161 T N -0.879 113.740 114.554 0.109 0.000 2.857 161 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 161 T C 2.355 177.090 174.700 0.057 0.000 1.048 161 T CA 0.572 62.717 62.100 0.076 0.000 1.139 161 T CB -0.576 68.335 68.868 0.071 0.000 0.874 161 T HN 0.152 nan 8.240 nan 0.000 0.455 162 L N -0.675 120.618 121.223 0.117 0.000 2.046 162 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 162 L C 2.640 179.568 176.870 0.096 0.000 1.077 162 L CA 1.856 56.800 54.840 0.172 0.000 0.747 162 L CB -0.698 41.522 42.059 0.267 0.000 0.896 162 L HN 0.271 nan 8.230 nan 0.000 0.432 163 Y N 0.919 121.189 120.300 -0.049 0.000 2.097 163 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 163 Y C 2.320 178.143 175.900 -0.129 0.000 1.152 163 Y CA 1.561 59.587 58.100 -0.125 0.000 1.136 163 Y CB -0.829 37.517 38.460 -0.190 0.000 0.975 163 Y HN 0.071 nan 8.280 nan 0.000 0.498 164 G N 0.607 109.329 108.800 -0.130 0.000 2.476 164 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 164 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 164 G C 1.887 176.589 174.900 -0.329 0.000 1.164 164 G CA 0.897 45.855 45.100 -0.236 0.000 0.768 164 G HN 0.274 nan 8.290 nan 0.000 0.560 165 R N 0.856 121.151 120.500 -0.342 0.000 2.127 165 R HA -0.103 4.237 4.340 -0.000 0.000 0.238 165 R C 3.034 179.033 176.300 -0.502 0.000 1.134 165 R CA 1.681 57.463 56.100 -0.530 0.000 0.975 165 R CB -0.582 29.165 30.300 -0.921 0.000 0.865 165 R HN 0.550 nan 8.270 nan 0.000 0.447 166 S N 0.069 115.531 115.700 -0.397 0.000 2.423 166 S HA -0.077 4.393 4.470 -0.000 0.000 0.231 166 S C 1.917 176.443 174.600 -0.123 0.000 1.014 166 S CA 0.505 58.625 58.200 -0.134 0.000 0.965 166 S CB -0.166 63.031 63.200 -0.005 0.000 0.785 166 S HN 0.112 nan 8.310 nan 0.000 0.495 167 L N 1.896 122.907 121.223 -0.355 0.000 2.265 167 L HA 0.150 4.490 4.340 -0.000 0.000 0.215 167 L C 2.607 179.377 176.870 -0.166 0.000 1.117 167 L CA 1.338 56.005 54.840 -0.289 0.000 0.782 167 L CB -1.468 40.383 42.059 -0.348 0.000 0.914 167 L HN 0.437 nan 8.230 nan 0.000 0.441 168 R N -1.837 118.537 120.500 -0.209 0.000 2.280 168 R HA -0.092 4.248 4.340 -0.000 0.000 0.207 168 R C -0.102 175.942 176.300 -0.427 0.000 1.043 168 R CA 0.506 56.403 56.100 -0.339 0.000 1.006 168 R CB 0.169 30.174 30.300 -0.491 0.000 0.885 168 R HN 0.174 nan 8.270 nan 0.000 0.467 169 Y N -0.883 119.386 120.300 -0.051 0.000 2.650 169 Y HA 0.129 4.679 4.550 -0.000 0.000 0.331 169 Y C 0.685 176.623 175.900 0.065 0.000 1.082 169 Y CA -1.262 56.849 58.100 0.019 0.000 1.171 169 Y CB 0.848 39.343 38.460 0.057 0.000 1.326 169 Y HN 0.034 nan 8.280 nan 0.000 0.513 170 D N -0.976 119.579 120.400 0.257 0.000 2.352 170 D HA -0.001 4.639 4.640 -0.000 0.000 0.236 170 D C -0.429 175.958 176.300 0.145 0.000 1.148 170 D CA 0.081 54.181 54.000 0.167 0.000 0.844 170 D CB -0.741 40.135 40.800 0.128 0.000 0.933 170 D HN 0.353 nan 8.370 nan 0.000 0.507 171 T N 0.727 115.369 114.554 0.146 0.000 2.888 171 T HA 0.130 4.480 4.350 -0.000 0.000 0.301 171 T C 0.328 174.900 174.700 -0.214 0.000 1.001 171 T CA -0.098 61.935 62.100 -0.113 0.000 1.147 171 T CB 1.072 69.728 68.868 -0.354 0.000 0.931 171 T HN -0.017 nan 8.240 nan 0.000 0.541 172 S N 2.915 118.483 115.700 -0.221 0.000 2.399 172 S HA 0.266 4.736 4.470 -0.000 0.000 0.301 172 S C -0.665 173.720 174.600 -0.358 0.000 1.093 172 S CA -0.609 57.502 58.200 -0.149 0.000 1.077 172 S CB -0.217 63.034 63.200 0.084 0.000 0.980 172 S HN 0.501 nan 8.310 nan 0.000 0.494 173 Y N 2.226 122.459 120.300 -0.111 0.000 2.454 173 Y HA 0.326 4.876 4.550 0.000 0.000 0.345 173 Y C -0.082 175.687 175.900 -0.219 0.000 0.970 173 Y CA -1.215 56.832 58.100 -0.087 0.000 1.204 173 Y CB -0.126 38.318 38.460 -0.027 0.000 1.122 173 Y HN 0.518 nan 8.280 nan 0.000 0.514 174 F N 3.084 122.842 119.950 -0.320 0.000 2.600 174 F HA 0.184 4.711 4.527 -0.000 0.000 0.345 174 F C 0.253 175.855 175.800 -0.331 0.000 1.271 174 F CA -0.639 56.962 58.000 -0.666 0.000 1.138 174 F CB -0.382 37.932 39.000 -1.143 0.000 1.449 174 F HN 0.131 nan 8.300 nan 0.000 0.645 175 V N 3.263 123.206 119.914 0.048 0.000 2.555 175 V HA 0.063 4.183 4.120 -0.000 0.000 0.286 175 V C 0.551 176.892 176.094 0.412 0.000 1.044 175 V CA -0.756 61.684 62.300 0.233 0.000 1.026 175 V CB 0.630 32.610 31.823 0.262 0.000 0.981 175 V HN 0.779 nan 8.190 nan 0.000 0.480 176 E N 2.194 122.594 120.200 0.334 0.000 2.416 176 E HA -0.224 4.126 4.350 -0.000 0.000 0.249 176 E C -1.219 175.542 176.600 0.268 0.000 1.124 176 E CA 0.365 56.928 56.400 0.271 0.000 0.732 176 E CB -0.992 28.877 29.700 0.281 0.000 1.286 176 E HN 0.621 nan 8.360 nan 0.000 0.394 177 Y N -0.231 120.103 120.300 0.056 0.000 2.352 177 Y HA 0.469 5.019 4.550 -0.000 0.000 0.339 177 Y C -0.053 175.870 175.900 0.039 0.000 0.992 177 Y CA -1.137 56.993 58.100 0.049 0.000 1.100 177 Y CB 0.964 39.452 38.460 0.046 0.000 1.192 177 Y HN 0.135 nan 8.280 nan 0.000 0.458 178 F N 3.158 123.116 119.950 0.014 0.000 2.385 178 F HA 0.663 5.190 4.527 -0.000 0.000 0.360 178 F C 0.213 176.014 175.800 0.002 0.000 1.122 178 F CA -0.955 57.036 58.000 -0.016 0.000 1.090 178 F CB 0.465 39.421 39.000 -0.074 0.000 1.150 178 F HN 0.596 nan 8.300 nan 0.000 0.472 179 A N 7.268 129.929 122.820 -0.266 0.000 2.451 179 A HA 0.329 4.649 4.320 -0.000 0.000 0.266 179 A C 0.524 178.076 177.584 -0.053 0.000 1.119 179 A CA -0.236 51.718 52.037 -0.137 0.000 0.786 179 A CB 0.134 19.014 19.000 -0.199 0.000 1.061 179 A HN 1.034 nan 8.150 nan 0.000 0.503 180 L N 1.358 122.624 121.223 0.071 0.000 2.200 180 L HA 0.225 4.565 4.340 -0.000 0.000 0.200 180 L C 0.353 177.249 176.870 0.043 0.000 1.072 180 L CA 0.666 55.574 54.840 0.113 0.000 0.787 180 L CB -0.013 42.102 42.059 0.092 0.000 0.957 180 L HN 0.612 nan 8.230 nan 0.000 0.459 181 D N -1.539 118.867 120.400 0.011 0.000 2.653 181 D HA 0.327 4.967 4.640 -0.000 0.000 0.258 181 D C -1.481 174.809 176.300 -0.017 0.000 1.252 181 D CA -0.562 53.435 54.000 -0.005 0.000 0.777 181 D CB 2.812 43.613 40.800 0.001 0.000 1.339 181 D HN -0.287 nan 8.370 nan 0.000 0.422 182 L N 0.733 121.943 121.223 -0.022 0.000 2.395 182 L HA 0.336 4.676 4.340 -0.000 0.000 0.269 182 L C 0.026 176.887 176.870 -0.014 0.000 1.133 182 L CA -0.022 54.803 54.840 -0.026 0.000 0.812 182 L CB 0.486 42.528 42.059 -0.029 0.000 1.125 182 L HN 0.268 nan 8.230 nan 0.000 0.452 183 L N 4.261 125.477 121.223 -0.011 0.000 2.288 183 L HA 0.313 4.653 4.340 -0.000 0.000 0.283 183 L C -0.215 176.653 176.870 -0.004 0.000 1.072 183 L CA -0.161 54.678 54.840 -0.003 0.000 0.862 183 L CB 0.624 42.686 42.059 0.005 0.000 1.245 183 L HN 0.567 nan 8.230 nan 0.000 0.432 184 M N 3.169 122.766 119.600 -0.005 0.000 2.423 184 M HA 0.369 4.849 4.480 -0.000 0.000 0.335 184 M C -0.645 175.653 176.300 -0.003 0.000 1.177 184 M CA -0.001 55.295 55.300 -0.006 0.000 1.038 184 M CB 1.466 34.060 32.600 -0.009 0.000 1.641 184 M HN 0.327 nan 8.290 nan 0.000 0.455 185 E N 2.546 122.744 120.200 -0.003 0.000 2.378 185 E HA 0.289 4.639 4.350 -0.000 0.000 0.282 185 E C -1.074 175.524 176.600 -0.004 0.000 0.910 185 E CA -0.250 56.149 56.400 -0.002 0.000 0.816 185 E CB 0.480 30.180 29.700 0.001 0.000 1.359 185 E HN 0.779 nan 8.360 nan 0.000 0.397 186 N N 3.067 121.763 118.700 -0.005 0.000 2.738 186 N HA -0.218 4.522 4.740 -0.000 0.000 0.249 186 N C 0.505 176.010 175.510 -0.010 0.000 1.047 186 N CA 1.467 54.512 53.050 -0.007 0.000 0.707 186 N CB -1.187 37.297 38.487 -0.006 0.000 0.937 186 N HN 1.007 nan 8.380 nan 0.000 0.545 187 G N -0.767 108.027 108.800 -0.010 0.000 2.153 187 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.252 187 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.252 187 G C -0.214 174.675 174.900 -0.018 0.000 0.994 187 G CA 0.869 45.960 45.100 -0.014 0.000 0.698 187 G HN 0.609 nan 8.290 nan 0.000 0.521 188 E N -0.936 119.256 120.200 -0.014 0.000 2.248 188 E HA 0.457 4.807 4.350 -0.000 0.000 0.267 188 E C -0.340 176.254 176.600 -0.010 0.000 0.877 188 E CA -0.799 55.593 56.400 -0.014 0.000 0.759 188 E CB 2.132 31.828 29.700 -0.008 0.000 1.182 188 E HN 0.197 nan 8.360 nan 0.000 0.418 189 C N 2.816 122.109 119.300 -0.011 0.000 2.514 189 C HA 0.286 4.746 4.460 -0.000 0.000 0.392 189 C C 1.007 176.000 174.990 0.004 0.000 1.294 189 C CA -0.240 58.774 59.018 -0.007 0.000 1.957 189 C CB -0.516 27.218 27.740 -0.010 0.000 2.541 189 C HN 0.705 nan 8.230 nan 0.000 0.569 190 R N 3.089 123.592 120.500 0.005 0.000 2.476 190 R HA 0.363 4.703 4.340 -0.000 0.000 0.276 190 R C 0.786 177.095 176.300 0.015 0.000 0.941 190 R CA 0.722 56.831 56.100 0.015 0.000 1.088 190 R CB 0.056 30.365 30.300 0.016 0.000 1.216 190 R HN 1.113 nan 8.270 nan 0.000 0.533 191 G N -0.055 108.745 108.800 -0.000 0.000 2.270 191 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.268 191 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.268 191 G C -1.339 173.543 174.900 -0.030 0.000 1.312 191 G CA -0.366 44.724 45.100 -0.015 0.000 1.050 191 G HN 0.159 nan 8.290 nan 0.000 0.474 192 V N -1.926 117.961 119.914 -0.045 0.000 3.040 192 V HA 0.894 5.014 4.120 -0.000 0.000 0.312 192 V C -0.209 175.874 176.094 -0.017 0.000 1.115 192 V CA -0.975 61.297 62.300 -0.046 0.000 0.998 192 V CB 1.922 33.692 31.823 -0.088 0.000 1.042 192 V HN 1.514 nan 8.190 nan 0.000 0.433 193 I N 2.019 122.591 120.570 0.004 0.000 2.433 193 I HA 0.899 5.069 4.170 -0.000 0.000 0.292 193 I C -0.036 176.118 176.117 0.061 0.000 1.001 193 I CA -0.446 60.880 61.300 0.044 0.000 1.119 193 I CB 1.367 39.390 38.000 0.037 0.000 1.289 193 I HN 1.200 nan 8.210 nan 0.000 0.438 194 A N 6.609 129.502 122.820 0.122 0.000 2.527 194 A HA 0.741 5.061 4.320 -0.000 0.000 0.293 194 A C -1.841 175.854 177.584 0.184 0.000 1.117 194 A CA -0.633 51.494 52.037 0.150 0.000 0.723 194 A CB 1.689 20.784 19.000 0.159 0.000 1.313 194 A HN 0.685 nan 8.150 nan 0.000 0.411 195 L N 1.237 122.544 121.223 0.140 0.000 2.276 195 L HA 0.551 4.891 4.340 -0.000 0.000 0.286 195 L C -0.139 176.651 176.870 -0.132 0.000 1.024 195 L CA -0.587 54.287 54.840 0.057 0.000 0.826 195 L CB 0.723 42.799 42.059 0.029 0.000 1.211 195 L HN 0.790 nan 8.230 nan 0.000 0.422 196 C N 6.614 125.739 119.300 -0.290 0.000 2.595 196 C HA 0.211 4.671 4.460 -0.000 0.000 0.374 196 C C 1.887 176.646 174.990 -0.386 0.000 1.250 196 C CA -0.501 58.027 59.018 -0.817 0.000 1.595 196 C CB -1.701 25.593 27.740 -0.743 0.000 2.257 196 C HN 0.919 nan 8.230 nan 0.000 0.568 197 I N 3.763 124.112 120.570 -0.369 0.000 2.399 197 I HA -0.174 3.996 4.170 -0.000 0.000 0.254 197 I C 2.376 178.334 176.117 -0.265 0.000 1.146 197 I CA 1.579 62.648 61.300 -0.384 0.000 1.412 197 I CB -0.636 36.975 38.000 -0.648 0.000 1.076 197 I HN 0.793 nan 8.210 nan 0.000 0.432 198 E N 0.557 120.710 120.200 -0.080 0.000 2.047 198 E HA -0.243 4.107 4.350 -0.000 0.000 0.191 198 E C 1.127 177.803 176.600 0.127 0.000 0.987 198 E CA 1.621 58.112 56.400 0.153 0.000 0.799 198 E CB 0.066 29.874 29.700 0.181 0.000 0.752 198 E HN 0.679 nan 8.360 nan 0.000 0.449 199 D N -2.502 117.937 120.400 0.065 0.000 2.469 199 D HA 0.142 4.782 4.640 -0.000 0.000 0.215 199 D C 1.004 177.342 176.300 0.065 0.000 1.154 199 D CA 0.545 54.595 54.000 0.082 0.000 0.832 199 D CB 0.613 41.476 40.800 0.104 0.000 1.008 199 D HN 0.275 nan 8.370 nan 0.000 0.506 200 G N 0.622 109.441 108.800 0.031 0.000 2.189 200 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.267 200 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.267 200 G C 0.525 175.501 174.900 0.127 0.000 0.975 200 G CA 0.698 45.831 45.100 0.056 0.000 0.644 200 G HN 0.875 nan 8.290 nan 0.000 0.537 201 S N -0.583 115.197 115.700 0.134 0.000 2.600 201 S HA 0.701 5.171 4.470 -0.000 0.000 0.265 201 S C 0.295 175.018 174.600 0.206 0.000 1.325 201 S CA -0.521 57.778 58.200 0.165 0.000 1.002 201 S CB 1.731 65.028 63.200 0.162 0.000 0.921 201 S HN 0.558 nan 8.310 nan 0.000 0.554 202 I N 1.927 122.568 120.570 0.118 0.000 2.404 202 I HA 0.363 4.533 4.170 -0.000 0.000 0.293 202 I C -0.085 176.050 176.117 0.031 0.000 0.992 202 I CA -0.541 60.842 61.300 0.138 0.000 1.149 202 I CB 1.184 39.227 38.000 0.073 0.000 1.315 202 I HN 0.660 nan 8.210 nan 0.000 0.446 203 H N 6.048 125.224 119.070 0.177 0.000 2.529 203 H HA 0.463 5.019 4.556 -0.000 0.000 0.348 203 H C -0.804 174.626 175.328 0.170 0.000 1.079 203 H CA -0.965 55.231 56.048 0.247 0.000 1.198 203 H CB 1.980 32.028 29.762 0.476 0.000 1.521 203 H HN 0.391 nan 8.280 nan 0.000 0.514 204 R N 3.101 123.739 120.500 0.230 0.000 2.247 204 R HA 0.340 4.680 4.340 -0.000 0.000 0.329 204 R C -0.253 176.157 176.300 0.184 0.000 1.014 204 R CA -0.358 55.829 56.100 0.145 0.000 0.907 204 R CB 0.710 31.059 30.300 0.081 0.000 1.146 204 R HN 0.467 nan 8.270 nan 0.000 0.499 205 I N 5.021 125.669 120.570 0.130 0.000 2.291 205 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 205 I C 0.562 176.728 176.117 0.082 0.000 1.064 205 I CA -0.366 61.001 61.300 0.110 0.000 1.269 205 I CB 0.311 38.178 38.000 -0.223 0.000 1.418 205 I HN 0.410 nan 8.210 nan 0.000 0.485 206 R N 5.811 126.401 120.500 0.150 0.000 2.540 206 R HA 0.941 5.281 4.340 -0.000 0.000 0.287 206 R C -0.918 175.462 176.300 0.132 0.000 0.980 206 R CA -0.676 55.484 56.100 0.101 0.000 0.966 206 R CB 2.007 32.354 30.300 0.079 0.000 1.106 206 R HN 0.556 nan 8.270 nan 0.000 0.480 207 A N 1.675 124.545 122.820 0.083 0.000 2.568 207 A HA 0.398 4.718 4.320 -0.000 0.000 0.291 207 A C 0.057 177.679 177.584 0.062 0.000 1.159 207 A CA -0.943 51.150 52.037 0.093 0.000 0.679 207 A CB 1.617 20.661 19.000 0.074 0.000 1.285 207 A HN 0.877 nan 8.150 nan 0.000 0.428 208 R N -0.450 120.090 120.500 0.068 0.000 2.161 208 R HA 0.107 4.447 4.340 -0.000 0.000 0.213 208 R C -0.450 175.876 176.300 0.043 0.000 1.055 208 R CA 0.846 56.982 56.100 0.059 0.000 0.996 208 R CB 0.086 30.436 30.300 0.083 0.000 0.901 208 R HN 0.712 nan 8.270 nan 0.000 0.456 209 N N -0.554 118.156 118.700 0.016 0.000 2.277 209 N HA 0.220 4.960 4.740 -0.000 0.000 0.286 209 N C -1.616 173.876 175.510 -0.030 0.000 1.140 209 N CA -0.384 52.668 53.050 0.003 0.000 0.799 209 N CB 2.554 40.986 38.487 -0.092 0.000 1.596 209 N HN -0.139 nan 8.380 nan 0.000 0.473 210 T N 0.435 114.998 114.554 0.015 0.000 2.886 210 T HA 0.484 4.834 4.350 -0.000 0.000 0.292 210 T C -0.518 174.189 174.700 0.011 0.000 1.012 210 T CA -0.459 61.627 62.100 -0.025 0.000 0.982 210 T CB 1.865 70.719 68.868 -0.023 0.000 1.018 210 T HN 0.095 nan 8.240 nan 0.000 0.451 211 V N 3.241 123.121 119.914 -0.055 0.000 2.444 211 V HA 0.461 4.581 4.120 -0.000 0.000 0.294 211 V C -0.302 175.760 176.094 -0.053 0.000 1.022 211 V CA -0.816 61.464 62.300 -0.034 0.000 0.850 211 V CB 1.806 33.563 31.823 -0.110 0.000 0.992 211 V HN 0.722 nan 8.190 nan 0.000 0.426 212 V N 4.183 124.078 119.914 -0.031 0.000 2.350 212 V HA 0.730 4.850 4.120 -0.000 0.000 0.276 212 V C 0.538 176.605 176.094 -0.045 0.000 1.028 212 V CA -0.031 62.238 62.300 -0.052 0.000 0.860 212 V CB 1.350 33.141 31.823 -0.053 0.000 0.990 212 V HN 1.012 nan 8.190 nan 0.000 0.453 213 A N 2.875 125.663 122.820 -0.054 0.000 3.370 213 A HA 0.459 4.779 4.320 -0.000 0.000 0.295 213 A C 0.791 178.346 177.584 -0.048 0.000 1.030 213 A CA 0.141 52.154 52.037 -0.039 0.000 0.883 213 A CB 0.360 19.342 19.000 -0.030 0.000 1.191 213 A HN 0.801 nan 8.150 nan 0.000 0.507 214 T N -2.175 112.344 114.554 -0.058 0.000 3.144 214 T HA 0.478 4.828 4.350 -0.000 0.000 0.249 214 T C 1.161 175.826 174.700 -0.057 0.000 1.089 214 T CA 0.749 62.808 62.100 -0.070 0.000 0.989 214 T CB -0.197 68.616 68.868 -0.091 0.000 0.992 214 T HN 2.166 nan 8.240 nan 0.000 0.540 215 G N 0.135 108.905 108.800 -0.050 0.000 2.725 215 G HA2 0.228 4.188 3.960 -0.000 0.000 0.220 215 G HA3 0.228 4.188 3.960 -0.000 0.000 0.220 215 G C 0.107 174.946 174.900 -0.103 0.000 1.357 215 G CA -0.566 44.490 45.100 -0.072 0.000 0.866 215 G HN 0.840 nan 8.290 nan 0.000 0.548 216 G N -1.878 106.808 108.800 -0.191 0.000 2.543 216 G HA2 0.714 4.674 3.960 -0.000 0.000 0.267 216 G HA3 0.714 4.674 3.960 -0.000 0.000 0.267 216 G C 0.057 174.875 174.900 -0.136 0.000 1.406 216 G CA 0.468 45.408 45.100 -0.267 0.000 1.048 216 G HN 2.004 nan 8.290 nan 0.000 0.548 217 Y N -2.553 117.655 120.300 -0.154 0.000 2.720 217 Y HA 0.498 5.048 4.550 0.000 0.000 0.264 217 Y C 1.367 177.236 175.900 -0.050 0.000 0.989 217 Y CA -0.645 57.409 58.100 -0.077 0.000 1.100 217 Y CB 0.036 38.477 38.460 -0.032 0.000 1.196 217 Y HN 0.504 nan 8.280 nan 0.000 0.631 218 G N 1.264 109.922 108.800 -0.236 0.000 2.462 218 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 218 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 218 G C 1.616 176.543 174.900 0.045 0.000 1.121 218 G CA 0.298 45.284 45.100 -0.190 0.000 0.758 218 G HN 0.281 nan 8.290 nan 0.000 0.559 219 R N 0.796 121.339 120.500 0.072 0.000 2.377 219 R HA -0.053 4.287 4.340 -0.000 0.000 0.207 219 R C 2.504 178.928 176.300 0.206 0.000 1.075 219 R CA 1.297 57.475 56.100 0.130 0.000 1.035 219 R CB -0.961 29.407 30.300 0.113 0.000 0.857 219 R HN 0.592 nan 8.270 nan 0.000 0.475 220 T N -2.957 111.776 114.554 0.299 0.000 3.035 220 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 220 T C 0.743 175.569 174.700 0.209 0.000 1.109 220 T CA 0.654 62.915 62.100 0.270 0.000 1.119 220 T CB -0.114 68.969 68.868 0.358 0.000 0.900 220 T HN -0.015 nan 8.240 nan 0.000 0.503 221 Y N -0.817 119.563 120.300 0.135 0.000 2.565 221 Y HA 0.537 5.087 4.550 -0.000 0.000 0.325 221 Y C 0.909 176.932 175.900 0.206 0.000 1.221 221 Y CA -2.293 55.906 58.100 0.166 0.000 1.316 221 Y CB 0.461 38.992 38.460 0.119 0.000 1.404 221 Y HN -0.056 nan 8.280 nan 0.000 0.527 222 F N -0.288 119.811 119.950 0.249 0.000 2.374 222 F HA 0.186 4.713 4.527 -0.000 0.000 0.291 222 F C 0.834 176.721 175.800 0.145 0.000 1.084 222 F CA 0.681 58.778 58.000 0.162 0.000 1.413 222 F CB 0.172 39.254 39.000 0.135 0.000 1.099 222 F HN 0.239 nan 8.300 nan 0.000 0.534 223 S N 1.121 116.893 115.700 0.121 0.000 2.640 223 S HA 0.606 5.076 4.470 -0.000 0.000 0.320 223 S C -0.829 173.780 174.600 0.014 0.000 1.097 223 S CA -0.520 57.661 58.200 -0.030 0.000 1.092 223 S CB -0.139 63.108 63.200 0.079 0.000 0.988 223 S HN 0.445 nan 8.310 nan 0.000 0.470 224 C N 2.361 121.626 119.300 -0.058 0.000 3.173 224 C HA 0.727 5.187 4.460 -0.000 0.000 0.310 224 C C 1.553 176.496 174.990 -0.079 0.000 1.306 224 C CA -0.052 58.918 59.018 -0.080 0.000 1.426 224 C CB 0.642 28.319 27.740 -0.105 0.000 1.800 224 C HN 0.788 nan 8.230 nan 0.000 0.470 225 T N -0.723 113.805 114.554 -0.042 0.000 3.085 225 T HA 0.139 4.489 4.350 -0.000 0.000 0.263 225 T C 0.704 175.416 174.700 0.019 0.000 1.127 225 T CA 0.958 63.054 62.100 -0.006 0.000 1.103 225 T CB -0.630 68.309 68.868 0.119 0.000 0.921 225 T HN 1.201 nan 8.240 nan 0.000 0.510 226 S N 1.303 116.979 115.700 -0.041 0.000 2.603 226 S HA 0.724 5.194 4.470 -0.000 0.000 0.268 226 S C 0.511 175.088 174.600 -0.037 0.000 1.317 226 S CA -0.749 57.432 58.200 -0.032 0.000 1.012 226 S CB 0.888 63.877 63.200 -0.353 0.000 0.926 226 S HN 0.645 nan 8.310 nan 0.000 0.539 227 A N 0.873 123.740 122.820 0.079 0.000 2.386 227 A HA 0.237 4.557 4.320 -0.000 0.000 0.246 227 A C 1.172 178.721 177.584 -0.057 0.000 1.089 227 A CA -0.336 51.706 52.037 0.007 0.000 0.790 227 A CB -0.400 18.703 19.000 0.171 0.000 1.042 227 A HN 0.991 nan 8.150 nan 0.000 0.497 228 H N 0.497 119.605 119.070 0.063 0.000 2.518 228 H HA -0.093 4.463 4.556 -0.000 0.000 0.289 228 H C 2.046 177.413 175.328 0.065 0.000 1.051 228 H CA 1.996 58.079 56.048 0.058 0.000 1.280 228 H CB -0.361 29.441 29.762 0.067 0.000 1.380 228 H HN 0.827 nan 8.280 nan 0.000 0.566 229 T N -2.548 112.106 114.554 0.166 0.000 3.100 229 T HA 0.054 4.404 4.350 -0.000 0.000 0.253 229 T C 1.139 175.880 174.700 0.068 0.000 1.118 229 T CA -0.147 62.031 62.100 0.129 0.000 1.058 229 T CB -0.076 68.868 68.868 0.126 0.000 0.953 229 T HN -0.049 nan 8.240 nan 0.000 0.515 230 S N 3.232 118.939 115.700 0.012 0.000 3.900 230 S HA 0.217 4.687 4.470 -0.000 0.000 0.248 230 S C 1.164 175.776 174.600 0.020 0.000 1.310 230 S CA -0.146 58.021 58.200 -0.055 0.000 0.915 230 S CB -0.413 62.665 63.200 -0.203 0.000 1.588 230 S HN 0.750 nan 8.310 nan 0.000 0.472 231 T N -1.659 112.933 114.554 0.063 0.000 3.176 231 T HA 0.384 4.734 4.350 -0.000 0.000 0.263 231 T C 1.304 176.071 174.700 0.113 0.000 1.021 231 T CA 0.073 62.238 62.100 0.108 0.000 0.905 231 T CB 0.115 69.061 68.868 0.129 0.000 1.057 231 T HN 0.624 nan 8.240 nan 0.000 0.558 232 G N 2.225 111.093 108.800 0.113 0.000 2.258 232 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.274 232 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.274 232 G C 0.472 175.387 174.900 0.024 0.000 1.021 232 G CA 0.418 45.582 45.100 0.107 0.000 0.798 232 G HN 0.537 nan 8.290 nan 0.000 0.507 233 D N -0.022 120.378 120.400 0.001 0.000 2.190 233 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 233 D C 2.377 178.635 176.300 -0.069 0.000 0.992 233 D CA 1.703 55.680 54.000 -0.039 0.000 0.854 233 D CB -0.624 40.083 40.800 -0.155 0.000 0.936 233 D HN 0.571 nan 8.370 nan 0.000 0.462 234 G N -0.059 108.699 108.800 -0.071 0.000 2.396 234 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.214 234 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.214 234 G C 1.689 176.555 174.900 -0.058 0.000 1.166 234 G CA 1.163 46.220 45.100 -0.072 0.000 0.793 234 G HN 0.225 nan 8.290 nan 0.000 0.533 235 T N 2.071 116.598 114.554 -0.045 0.000 2.652 235 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 235 T C 2.821 177.478 174.700 -0.072 0.000 1.039 235 T CA 1.692 63.754 62.100 -0.063 0.000 1.153 235 T CB -0.523 68.301 68.868 -0.073 0.000 0.863 235 T HN 0.356 nan 8.240 nan 0.000 0.428 236 A N 1.294 124.079 122.820 -0.059 0.000 1.917 236 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 236 A C 2.364 179.929 177.584 -0.031 0.000 1.182 236 A CA 1.930 53.943 52.037 -0.039 0.000 0.633 236 A CB -0.802 18.193 19.000 -0.009 0.000 0.819 236 A HN 0.481 nan 8.150 nan 0.000 0.448 237 M N -1.157 118.422 119.600 -0.035 0.000 2.067 237 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 237 M C 2.147 178.423 176.300 -0.039 0.000 1.069 237 M CA 1.602 56.882 55.300 -0.033 0.000 1.117 237 M CB -0.482 32.091 32.600 -0.045 0.000 1.334 237 M HN 0.235 nan 8.290 nan 0.000 0.407 238 V N 0.070 119.951 119.914 -0.054 0.000 2.324 238 V HA -0.315 3.805 4.120 -0.000 0.000 0.250 238 V C 2.319 178.377 176.094 -0.060 0.000 1.060 238 V CA 2.388 64.651 62.300 -0.062 0.000 1.042 238 V CB -0.956 30.817 31.823 -0.082 0.000 0.650 238 V HN 0.545 nan 8.190 nan 0.000 0.450 239 T N -0.730 113.785 114.554 -0.065 0.000 2.746 239 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 239 T C 2.019 176.705 174.700 -0.023 0.000 1.039 239 T CA 1.388 63.453 62.100 -0.059 0.000 1.142 239 T CB -0.257 68.571 68.868 -0.068 0.000 0.866 239 T HN 0.407 nan 8.240 nan 0.000 0.444 240 R N 0.731 121.222 120.500 -0.016 0.000 2.193 240 R HA 0.089 4.429 4.340 -0.000 0.000 0.229 240 R C 2.448 178.748 176.300 -0.001 0.000 1.110 240 R CA 0.958 57.057 56.100 -0.001 0.000 0.988 240 R CB -0.223 30.078 30.300 0.002 0.000 0.871 240 R HN 0.317 nan 8.270 nan 0.000 0.458 241 A N -0.149 122.667 122.820 -0.007 0.000 2.208 241 A HA 0.164 4.484 4.320 -0.000 0.000 0.209 241 A C 1.416 179.007 177.584 0.012 0.000 1.161 241 A CA 0.903 52.938 52.037 -0.003 0.000 0.782 241 A CB 0.020 19.012 19.000 -0.014 0.000 0.816 241 A HN 0.431 nan 8.150 nan 0.000 0.477 242 G N -1.554 107.262 108.800 0.027 0.000 2.141 242 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.231 242 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.231 242 G C 0.060 175.035 174.900 0.125 0.000 0.984 242 G CA 0.243 45.390 45.100 0.078 0.000 0.660 242 G HN 0.403 nan 8.290 nan 0.000 0.525 243 L N 1.656 122.896 121.223 0.030 0.000 2.421 243 L HA 0.533 4.873 4.340 -0.000 0.000 0.263 243 L C -1.338 175.404 176.870 -0.213 0.000 1.122 243 L CA -2.207 52.618 54.840 -0.026 0.000 0.804 243 L CB 1.107 43.132 42.059 -0.057 0.000 1.150 243 L HN -0.012 nan 8.230 nan 0.000 0.457 244 P HA 0.186 nan 4.420 nan 0.000 0.279 244 P C -1.275 175.794 177.300 -0.385 0.000 1.252 244 P CA -0.518 62.158 63.100 -0.706 0.000 0.811 244 P CB 1.450 32.705 31.700 -0.741 0.000 1.035 245 C N 1.023 120.104 119.300 -0.364 0.000 2.493 245 C HA 0.515 4.975 4.460 -0.000 0.000 0.326 245 C C 0.189 175.068 174.990 -0.185 0.000 1.200 245 C CA -0.099 58.790 59.018 -0.216 0.000 1.739 245 C CB 1.475 29.112 27.740 -0.172 0.000 2.300 245 C HN 0.588 nan 8.230 nan 0.000 0.500 246 Q N 0.963 120.689 119.800 -0.124 0.000 2.306 246 Q HA 0.248 4.588 4.340 -0.000 0.000 0.265 246 Q C -0.506 175.501 176.000 0.012 0.000 1.022 246 Q CA -0.283 55.470 55.803 -0.084 0.000 0.853 246 Q CB 0.985 29.628 28.738 -0.157 0.000 1.327 246 Q HN 0.798 nan 8.270 nan 0.000 0.449 247 D N 2.751 123.218 120.400 0.112 0.000 2.739 247 D HA -0.235 4.405 4.640 -0.000 0.000 0.230 247 D C 0.765 177.255 176.300 0.318 0.000 1.167 247 D CA 0.738 54.908 54.000 0.284 0.000 0.640 247 D CB -0.697 40.216 40.800 0.188 0.000 1.045 247 D HN 0.644 nan 8.370 nan 0.000 0.421 248 L N 0.092 121.437 121.223 0.202 0.000 2.349 248 L HA -0.188 4.152 4.340 -0.000 0.000 0.220 248 L C 2.668 179.698 176.870 0.267 0.000 1.130 248 L CA 1.388 56.365 54.840 0.229 0.000 0.791 248 L CB -0.435 41.689 42.059 0.108 0.000 0.918 248 L HN 0.282 nan 8.230 nan 0.000 0.444 249 E N 0.760 121.084 120.200 0.206 0.000 2.072 249 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 249 E C 0.534 177.179 176.600 0.075 0.000 0.982 249 E CA 0.534 56.980 56.400 0.076 0.000 0.803 249 E CB -0.499 29.080 29.700 -0.200 0.000 0.755 249 E HN 0.312 nan 8.360 nan 0.000 0.453 250 F N 2.565 122.588 119.950 0.121 0.000 2.552 250 F HA 0.108 4.635 4.527 -0.000 0.000 0.342 250 F C 0.029 175.883 175.800 0.091 0.000 1.257 250 F CA -0.054 58.026 58.000 0.134 0.000 1.058 250 F CB 0.217 39.286 39.000 0.115 0.000 1.288 250 F HN -0.253 nan 8.300 nan 0.000 0.627 251 V N 3.770 123.805 119.914 0.202 0.000 2.370 251 V HA 0.225 4.345 4.120 -0.000 0.000 0.283 251 V C 0.032 176.136 176.094 0.016 0.000 1.023 251 V CA -0.991 61.314 62.300 0.007 0.000 0.857 251 V CB 1.533 33.306 31.823 -0.084 0.000 0.985 251 V HN 0.600 nan 8.190 nan 0.000 0.443 252 Q N 3.817 123.586 119.800 -0.051 0.000 2.295 252 Q HA 0.389 4.729 4.340 -0.000 0.000 0.259 252 Q C -1.509 174.430 176.000 -0.102 0.000 0.976 252 Q CA -0.326 55.506 55.803 0.048 0.000 0.923 252 Q CB 0.622 29.452 28.738 0.154 0.000 1.185 252 Q HN 0.604 nan 8.270 nan 0.000 0.410 253 F N 3.047 122.989 119.950 -0.014 0.000 2.405 253 F HA 0.217 4.744 4.527 -0.000 0.000 0.355 253 F C 0.130 175.918 175.800 -0.020 0.000 1.121 253 F CA -0.616 57.370 58.000 -0.025 0.000 1.112 253 F CB 0.893 39.849 39.000 -0.073 0.000 1.126 253 F HN 0.628 nan 8.300 nan 0.000 0.481 254 H N 5.368 124.441 119.070 0.004 0.000 2.646 254 H HA 0.237 4.793 4.556 -0.000 0.000 0.325 254 H C -1.875 173.411 175.328 -0.070 0.000 1.075 254 H CA -1.582 54.380 56.048 -0.143 0.000 1.421 254 H CB 1.357 30.860 29.762 -0.432 0.000 1.461 254 H HN 0.287 nan 8.280 nan 0.000 0.525 255 P HA -0.137 nan 4.420 nan 0.000 0.211 255 P C -0.121 177.150 177.300 -0.047 0.000 1.179 255 P CA 1.817 64.796 63.100 -0.202 0.000 0.910 255 P CB 0.017 31.528 31.700 -0.315 0.000 0.785 256 T N -1.814 112.724 114.554 -0.027 0.000 2.782 256 T HA 0.585 4.935 4.350 -0.000 0.000 0.298 256 T C 0.295 175.090 174.700 0.157 0.000 0.944 256 T CA -0.627 61.531 62.100 0.096 0.000 1.001 256 T CB -0.163 68.751 68.868 0.077 0.000 0.932 256 T HN 0.130 nan 8.240 nan 0.000 0.524 257 G N 4.003 112.864 108.800 0.102 0.000 2.704 257 G HA2 0.518 4.478 3.960 -0.000 0.000 0.280 257 G HA3 0.518 4.478 3.960 -0.000 0.000 0.280 257 G C -0.365 174.581 174.900 0.076 0.000 1.499 257 G CA -1.004 44.136 45.100 0.067 0.000 1.146 257 G HN 0.706 nan 8.290 nan 0.000 0.558 258 I N 2.379 122.974 120.570 0.042 0.000 3.089 258 I HA -0.172 3.998 4.170 -0.000 0.000 0.321 258 I C 1.697 177.909 176.117 0.158 0.000 1.222 258 I CA 0.109 61.459 61.300 0.084 0.000 1.452 258 I CB 0.068 38.102 38.000 0.056 0.000 1.321 258 I HN 0.659 nan 8.210 nan 0.000 0.539 259 Y N 6.491 126.873 120.300 0.138 0.000 2.228 259 Y HA -0.244 4.305 4.550 -0.000 0.000 0.285 259 Y C 1.864 177.851 175.900 0.144 0.000 1.178 259 Y CA 1.623 59.847 58.100 0.208 0.000 1.202 259 Y CB -0.614 38.087 38.460 0.401 0.000 0.974 259 Y HN 0.678 nan 8.280 nan 0.000 0.527 260 G N -0.294 108.512 108.800 0.010 0.000 2.620 260 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.180 260 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.180 260 G C 1.634 176.481 174.900 -0.088 0.000 1.545 260 G CA 0.970 46.026 45.100 -0.074 0.000 0.866 260 G HN 0.559 nan 8.290 nan 0.000 0.432 261 A N -1.128 121.691 122.820 -0.002 0.000 2.168 261 A HA 0.406 4.726 4.320 -0.000 0.000 0.215 261 A C 2.034 179.549 177.584 -0.115 0.000 1.152 261 A CA 1.562 53.574 52.037 -0.042 0.000 0.716 261 A CB -0.628 18.400 19.000 0.045 0.000 0.794 261 A HN 2.166 nan 8.150 nan 0.000 0.465 262 G N -2.186 106.558 108.800 -0.094 0.000 2.157 262 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.239 262 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.239 262 G C 0.305 175.138 174.900 -0.112 0.000 0.982 262 G CA -0.047 45.004 45.100 -0.083 0.000 0.650 262 G HN 0.604 nan 8.290 nan 0.000 0.527 263 C N 0.201 119.386 119.300 -0.192 0.000 2.702 263 C HA 0.486 4.946 4.460 -0.000 0.000 0.411 263 C C 1.094 175.988 174.990 -0.159 0.000 1.286 263 C CA 0.085 58.949 59.018 -0.257 0.000 1.979 263 C CB 0.241 27.677 27.740 -0.506 0.000 2.728 263 C HN 0.692 nan 8.230 nan 0.000 0.652 264 L N 3.417 124.550 121.223 -0.151 0.000 2.379 264 L HA 0.657 4.997 4.340 -0.000 0.000 0.269 264 L C -0.424 176.387 176.870 -0.099 0.000 1.084 264 L CA 0.054 54.814 54.840 -0.134 0.000 0.802 264 L CB 0.585 42.535 42.059 -0.182 0.000 1.175 264 L HN 0.585 nan 8.230 nan 0.000 0.448 265 I N 3.754 124.290 120.570 -0.057 0.000 2.495 265 I HA 0.150 4.320 4.170 -0.000 0.000 0.277 265 I C 0.244 176.386 176.117 0.042 0.000 1.045 265 I CA -0.504 60.793 61.300 -0.005 0.000 1.135 265 I CB 1.444 39.452 38.000 0.014 0.000 1.241 265 I HN 0.705 nan 8.210 nan 0.000 0.469 266 T N 3.301 117.879 114.554 0.040 0.000 2.809 266 T HA -0.204 4.146 4.350 -0.000 0.000 0.283 266 T C 1.297 176.121 174.700 0.208 0.000 1.031 266 T CA 0.945 63.116 62.100 0.119 0.000 1.135 266 T CB 0.430 69.372 68.868 0.124 0.000 1.070 266 T HN 0.835 nan 8.240 nan 0.000 0.488 267 E N 2.304 122.685 120.200 0.301 0.000 2.418 267 E HA 0.001 4.351 4.350 -0.000 0.000 0.197 267 E C 2.045 178.911 176.600 0.443 0.000 1.026 267 E CA 0.780 57.292 56.400 0.187 0.000 0.862 267 E CB -0.736 28.852 29.700 -0.187 0.000 0.799 267 E HN 0.914 nan 8.360 nan 0.000 0.518 268 G N 0.428 109.597 108.800 0.615 0.000 2.498 268 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 268 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 268 G C 1.488 176.516 174.900 0.213 0.000 1.119 268 G CA 0.799 46.140 45.100 0.401 0.000 0.766 268 G HN 0.387 nan 8.290 nan 0.000 0.552 269 C N 0.065 119.465 119.300 0.166 0.000 2.432 269 C HA 0.020 4.480 4.460 -0.000 0.000 0.277 269 C C 2.926 177.972 174.990 0.094 0.000 1.249 269 C CA 0.711 59.786 59.018 0.095 0.000 1.725 269 C CB -0.844 26.940 27.740 0.074 0.000 2.028 269 C HN 0.481 nan 8.230 nan 0.000 0.477 270 R N 0.697 121.261 120.500 0.107 0.000 2.075 270 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 270 R C 2.517 178.885 176.300 0.114 0.000 1.126 270 R CA 1.607 57.756 56.100 0.082 0.000 0.963 270 R CB -0.765 29.550 30.300 0.025 0.000 0.858 270 R HN 0.629 nan 8.270 nan 0.000 0.435 271 G N 1.000 109.917 108.800 0.194 0.000 2.432 271 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 271 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 271 G C 1.215 176.197 174.900 0.136 0.000 1.135 271 G CA 0.367 45.599 45.100 0.221 0.000 0.767 271 G HN 0.197 nan 8.290 nan 0.000 0.550 272 E N -0.063 120.200 120.200 0.105 0.000 2.358 272 E HA 0.129 4.479 4.350 -0.000 0.000 0.195 272 E C 1.949 178.566 176.600 0.028 0.000 1.010 272 E CA 0.822 57.257 56.400 0.058 0.000 0.856 272 E CB 0.385 30.111 29.700 0.042 0.000 0.795 272 E HN 0.492 nan 8.360 nan 0.000 0.504 273 G N 0.149 108.973 108.800 0.039 0.000 3.211 273 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.202 273 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.202 273 G C 0.786 175.709 174.900 0.040 0.000 1.035 273 G CA -0.202 44.911 45.100 0.022 0.000 0.846 273 G HN 0.462 nan 8.290 nan 0.000 0.464 274 G N 0.634 109.439 108.800 0.008 0.000 2.760 274 G HA2 0.428 4.388 3.960 -0.000 0.000 0.236 274 G HA3 0.428 4.388 3.960 -0.000 0.000 0.236 274 G C 0.167 175.170 174.900 0.172 0.000 1.243 274 G CA 0.840 45.987 45.100 0.079 0.000 0.850 274 G HN 0.638 nan 8.290 nan 0.000 0.595 275 I N -0.998 119.710 120.570 0.229 0.000 3.322 275 I HA 0.465 4.635 4.170 -0.000 0.000 0.313 275 I C -0.950 175.260 176.117 0.155 0.000 1.129 275 I CA -0.939 60.462 61.300 0.168 0.000 0.963 275 I CB 1.611 39.711 38.000 0.166 0.000 1.273 275 I HN 0.182 nan 8.210 nan 0.000 0.473 276 L N 2.587 123.904 121.223 0.157 0.000 2.341 276 L HA 0.580 4.920 4.340 -0.000 0.000 0.278 276 L C -0.788 176.386 176.870 0.506 0.000 1.005 276 L CA -0.224 54.779 54.840 0.272 0.000 0.818 276 L CB 1.435 43.585 42.059 0.152 0.000 1.259 276 L HN 0.298 nan 8.230 nan 0.000 0.418 277 I N 2.799 123.604 120.570 0.393 0.000 2.533 277 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 277 I C -0.184 175.872 176.117 -0.102 0.000 1.056 277 I CA -0.659 60.759 61.300 0.197 0.000 1.057 277 I CB 1.715 39.791 38.000 0.127 0.000 1.240 277 I HN 0.626 nan 8.210 nan 0.000 0.423 278 N N 2.820 121.259 118.700 -0.434 0.000 2.364 278 N HA 0.236 4.976 4.740 -0.000 0.000 0.264 278 N C 1.080 176.433 175.510 -0.261 0.000 1.263 278 N CA -0.146 52.605 53.050 -0.498 0.000 0.959 278 N CB 0.137 38.218 38.487 -0.676 0.000 1.204 278 N HN 0.592 nan 8.380 nan 0.000 0.550 279 S N -1.425 114.140 115.700 -0.225 0.000 2.359 279 S HA -0.325 4.145 4.470 -0.000 0.000 0.224 279 S C 1.576 176.088 174.600 -0.146 0.000 1.035 279 S CA 1.325 59.413 58.200 -0.187 0.000 1.018 279 S CB -0.830 62.282 63.200 -0.148 0.000 0.876 279 S HN 0.742 nan 8.310 nan 0.000 0.448 280 Q N 1.449 121.174 119.800 -0.124 0.000 2.439 280 Q HA 0.066 4.406 4.340 -0.000 0.000 0.211 280 Q C 1.421 177.379 176.000 -0.071 0.000 0.978 280 Q CA 0.924 56.676 55.803 -0.085 0.000 0.897 280 Q CB -0.615 28.084 28.738 -0.066 0.000 0.956 280 Q HN 0.889 nan 8.270 nan 0.000 0.483 281 G N 0.769 109.516 108.800 -0.088 0.000 2.175 281 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 281 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 281 G C -0.177 174.718 174.900 -0.009 0.000 0.982 281 G CA 0.238 45.308 45.100 -0.050 0.000 0.641 281 G HN 0.494 nan 8.290 nan 0.000 0.527 282 E N 0.476 120.669 120.200 -0.012 0.000 2.373 282 E HA 0.318 4.668 4.350 -0.000 0.000 0.267 282 E C 0.720 177.435 176.600 0.192 0.000 1.032 282 E CA -0.688 55.751 56.400 0.066 0.000 0.889 282 E CB 0.298 30.041 29.700 0.071 0.000 0.984 282 E HN 0.307 nan 8.360 nan 0.000 0.425 283 R N 6.020 126.662 120.500 0.236 0.000 4.680 283 R HA 0.055 4.395 4.340 -0.000 0.000 0.222 283 R C 1.014 177.566 176.300 0.419 0.000 1.803 283 R CA -0.123 56.177 56.100 0.334 0.000 1.560 283 R CB -0.778 29.618 30.300 0.160 0.000 1.412 283 R HN 0.652 nan 8.270 nan 0.000 0.815 284 F N -0.622 119.389 119.950 0.102 0.000 2.101 284 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 284 F C 0.759 176.696 175.800 0.227 0.000 1.076 284 F CA 0.458 58.576 58.000 0.197 0.000 1.248 284 F CB -0.337 38.805 39.000 0.238 0.000 0.999 284 F HN 0.136 nan 8.300 nan 0.000 0.488 285 M N 1.951 121.290 119.600 -0.434 0.000 3.268 285 M HA 0.081 4.561 4.480 -0.000 0.000 0.249 285 M C 0.688 176.946 176.300 -0.070 0.000 1.527 285 M CA 0.585 55.670 55.300 -0.359 0.000 1.645 285 M CB -0.893 31.378 32.600 -0.549 0.000 1.193 285 M HN 0.692 nan 8.290 nan 0.000 0.534 286 E N -0.293 119.939 120.200 0.055 0.000 1.314 286 E HA -0.033 4.317 4.350 -0.000 0.000 0.200 286 E C 1.139 177.795 176.600 0.093 0.000 0.874 286 E CA 0.073 56.515 56.400 0.069 0.000 0.958 286 E CB 0.196 29.937 29.700 0.070 0.000 4.488 286 E HN 0.519 nan 8.360 nan 0.000 0.638 287 R N -0.472 120.116 120.500 0.146 0.000 2.103 287 R HA 0.129 4.469 4.340 -0.000 0.000 0.212 287 R C 1.328 177.657 176.300 0.047 0.000 1.107 287 R CA 0.999 57.148 56.100 0.081 0.000 1.025 287 R CB 0.009 30.355 30.300 0.078 0.000 0.929 287 R HN 0.075 nan 8.270 nan 0.000 0.456 288 Y N -0.399 119.921 120.300 0.035 0.000 2.457 288 Y HA 0.247 4.797 4.550 -0.000 0.000 0.292 288 Y C 0.344 176.261 175.900 0.029 0.000 1.125 288 Y CA 0.647 58.767 58.100 0.033 0.000 1.254 288 Y CB 0.577 39.049 38.460 0.021 0.000 1.012 288 Y HN 0.118 nan 8.280 nan 0.000 0.555 289 A N -1.116 121.806 122.820 0.170 0.000 2.839 289 A HA 0.414 4.734 4.320 -0.000 0.000 0.303 289 A C -2.323 175.312 177.584 0.085 0.000 1.181 289 A CA -1.019 51.090 52.037 0.121 0.000 0.808 289 A CB 0.384 19.455 19.000 0.119 0.000 1.391 289 A HN -0.052 nan 8.150 nan 0.000 0.433 290 P HA -0.206 nan 4.420 nan 0.000 0.211 290 P C 1.771 179.101 177.300 0.050 0.000 1.181 290 P CA 2.113 65.245 63.100 0.053 0.000 0.929 290 P CB 0.224 31.950 31.700 0.042 0.000 0.789 291 V N -0.042 119.904 119.914 0.052 0.000 2.223 291 V HA -0.263 3.857 4.120 -0.000 0.000 0.244 291 V C 2.479 178.609 176.094 0.060 0.000 1.045 291 V CA 2.592 64.921 62.300 0.048 0.000 1.000 291 V CB -2.002 29.846 31.823 0.041 0.000 0.635 291 V HN 0.114 nan 8.190 nan 0.000 0.445 292 A N -1.553 121.322 122.820 0.091 0.000 1.969 292 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 292 A C 1.451 179.062 177.584 0.044 0.000 1.169 292 A CA 1.418 53.514 52.037 0.098 0.000 0.635 292 A CB -0.245 18.873 19.000 0.196 0.000 0.810 292 A HN 0.641 nan 8.150 nan 0.000 0.445 293 K N -1.504 118.917 120.400 0.034 0.000 1.939 293 K HA -0.273 4.047 4.320 -0.000 0.000 0.165 293 K C 0.790 177.351 176.600 -0.066 0.000 1.508 293 K CA 1.287 57.571 56.287 -0.006 0.000 0.525 293 K CB -1.167 31.338 32.500 0.009 0.000 0.615 293 K HN 0.607 nan 8.250 nan 0.000 0.888 294 D N 0.831 121.185 120.400 -0.077 0.000 2.280 294 D HA -0.187 4.453 4.640 -0.000 0.000 0.206 294 D C 0.821 177.054 176.300 -0.111 0.000 0.988 294 D CA 1.506 55.437 54.000 -0.116 0.000 0.886 294 D CB -0.089 40.680 40.800 -0.051 0.000 0.914 294 D HN 0.204 nan 8.370 nan 0.000 0.473 295 L N 0.317 121.497 121.223 -0.071 0.000 2.843 295 L HA 0.559 4.899 4.340 -0.000 0.000 0.234 295 L C -0.114 176.694 176.870 -0.104 0.000 1.264 295 L CA -0.518 54.273 54.840 -0.080 0.000 1.052 295 L CB 0.576 42.631 42.059 -0.007 0.000 1.372 295 L HN 0.164 nan 8.230 nan 0.000 0.466 296 A N -0.383 122.324 122.820 -0.188 0.000 2.392 296 A HA 0.808 5.128 4.320 -0.000 0.000 0.283 296 A C 0.147 177.447 177.584 -0.475 0.000 1.197 296 A CA -0.575 51.279 52.037 -0.304 0.000 0.895 296 A CB 0.723 19.590 19.000 -0.223 0.000 1.400 296 A HN 0.249 nan 8.150 nan 0.000 0.461 297 S N 0.028 115.240 115.700 -0.814 0.000 2.561 297 S HA 0.015 4.485 4.470 -0.000 0.000 0.294 297 S C 1.440 175.815 174.600 -0.376 0.000 1.294 297 S CA -0.036 57.797 58.200 -0.612 0.000 1.055 297 S CB 0.262 63.049 63.200 -0.689 0.000 0.819 297 S HN 0.615 nan 8.310 nan 0.000 0.503 298 R N 1.753 122.076 120.500 -0.295 0.000 2.091 298 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 298 R C 1.931 178.127 176.300 -0.173 0.000 1.136 298 R CA 1.702 57.651 56.100 -0.251 0.000 0.959 298 R CB -0.467 29.717 30.300 -0.192 0.000 0.856 298 R HN 0.816 nan 8.270 nan 0.000 0.437 299 D N 0.399 120.728 120.400 -0.118 0.000 2.144 299 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 299 D C 1.817 178.057 176.300 -0.100 0.000 0.984 299 D CA 1.054 55.018 54.000 -0.061 0.000 0.834 299 D CB -0.347 40.458 40.800 0.007 0.000 0.955 299 D HN 0.089 nan 8.370 nan 0.000 0.465 300 V N 0.848 120.686 119.914 -0.126 0.000 2.302 300 V HA -0.159 3.961 4.120 -0.000 0.000 0.243 300 V C 2.984 178.984 176.094 -0.158 0.000 1.036 300 V CA 0.990 63.230 62.300 -0.101 0.000 1.020 300 V CB -0.340 31.439 31.823 -0.073 0.000 0.657 300 V HN 0.072 nan 8.190 nan 0.000 0.453 301 V N 1.432 121.216 119.914 -0.216 0.000 2.453 301 V HA -0.259 3.861 4.120 -0.000 0.000 0.252 301 V C 2.658 178.601 176.094 -0.252 0.000 1.068 301 V CA 2.469 64.610 62.300 -0.265 0.000 1.070 301 V CB -0.862 30.787 31.823 -0.290 0.000 0.664 301 V HN 0.765 nan 8.190 nan 0.000 0.461 302 S N 0.123 115.702 115.700 -0.201 0.000 2.406 302 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 302 S C 2.007 176.511 174.600 -0.161 0.000 1.030 302 S CA 0.793 58.902 58.200 -0.152 0.000 0.958 302 S CB -0.378 62.762 63.200 -0.100 0.000 0.811 302 S HN 0.449 nan 8.310 nan 0.000 0.489 303 R N 1.822 122.204 120.500 -0.197 0.000 2.159 303 R HA 0.024 4.364 4.340 -0.000 0.000 0.237 303 R C 2.176 178.440 176.300 -0.060 0.000 1.131 303 R CA 1.619 57.592 56.100 -0.211 0.000 0.982 303 R CB -0.711 29.485 30.300 -0.172 0.000 0.868 303 R HN 0.511 nan 8.270 nan 0.000 0.453 304 S N 0.203 115.774 115.700 -0.215 0.000 2.343 304 S HA -0.159 4.311 4.470 -0.000 0.000 0.212 304 S C 1.861 176.306 174.600 -0.258 0.000 1.033 304 S CA 1.675 59.547 58.200 -0.547 0.000 1.004 304 S CB -0.314 62.374 63.200 -0.852 0.000 0.977 304 S HN 0.291 nan 8.310 nan 0.000 0.427 305 M N 1.123 120.678 119.600 -0.076 0.000 2.110 305 M HA -0.185 4.295 4.480 -0.000 0.000 0.257 305 M C 2.537 178.905 176.300 0.113 0.000 1.071 305 M CA 1.905 57.313 55.300 0.179 0.000 1.096 305 M CB -1.437 31.273 32.600 0.182 0.000 1.300 305 M HN 0.317 nan 8.290 nan 0.000 0.411 306 T N 0.872 115.469 114.554 0.072 0.000 2.721 306 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 306 T C 1.600 176.405 174.700 0.175 0.000 1.038 306 T CA 1.530 63.692 62.100 0.104 0.000 1.145 306 T CB -0.136 68.749 68.868 0.029 0.000 0.858 306 T HN 0.169 nan 8.240 nan 0.000 0.459 307 L N 1.219 122.567 121.223 0.208 0.000 2.007 307 L HA 0.081 4.421 4.340 -0.000 0.000 0.205 307 L C 2.586 179.544 176.870 0.147 0.000 1.073 307 L CA 1.827 56.790 54.840 0.206 0.000 0.744 307 L CB -0.768 41.455 42.059 0.273 0.000 0.898 307 L HN 0.233 nan 8.230 nan 0.000 0.435 308 E N -0.239 120.057 120.200 0.161 0.000 2.233 308 E HA -0.260 4.090 4.350 -0.000 0.000 0.199 308 E C 2.194 178.819 176.600 0.042 0.000 1.004 308 E CA 1.671 58.138 56.400 0.111 0.000 0.819 308 E CB -0.298 29.433 29.700 0.052 0.000 0.738 308 E HN 0.579 nan 8.360 nan 0.000 0.478 309 I N 0.581 121.183 120.570 0.054 0.000 2.439 309 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 309 I C 2.413 178.547 176.117 0.027 0.000 1.139 309 I CA 0.618 61.940 61.300 0.037 0.000 1.438 309 I CB -0.223 37.815 38.000 0.063 0.000 1.085 309 I HN -0.043 nan 8.210 nan 0.000 0.427 310 R N 1.215 121.738 120.500 0.038 0.000 2.066 310 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 310 R C 2.016 178.318 176.300 0.002 0.000 1.131 310 R CA 1.126 57.235 56.100 0.014 0.000 0.955 310 R CB -0.837 29.464 30.300 0.001 0.000 0.851 310 R HN 0.379 nan 8.270 nan 0.000 0.432 311 E N -0.072 120.136 120.200 0.013 0.000 2.273 311 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 311 E C 0.651 177.245 176.600 -0.009 0.000 1.002 311 E CA 1.093 57.495 56.400 0.004 0.000 0.828 311 E CB -0.233 29.480 29.700 0.022 0.000 0.747 311 E HN 0.524 nan 8.360 nan 0.000 0.491 312 G N 1.243 110.037 108.800 -0.011 0.000 2.970 312 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.249 312 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.249 312 G C -0.075 174.803 174.900 -0.036 0.000 1.113 312 G CA -0.112 44.974 45.100 -0.023 0.000 1.119 312 G HN 0.228 nan 8.290 nan 0.000 0.552 313 R N 0.034 120.508 120.500 -0.044 0.000 2.617 313 R HA 0.399 4.739 4.340 -0.000 0.000 0.432 313 R C 1.179 177.428 176.300 -0.085 0.000 1.018 313 R CA -0.204 55.852 56.100 -0.074 0.000 1.077 313 R CB 0.826 31.072 30.300 -0.090 0.000 1.394 313 R HN 0.678 nan 8.270 nan 0.000 0.608 314 G N -0.374 108.390 108.800 -0.060 0.000 2.667 314 G HA2 0.130 4.090 3.960 -0.000 0.000 0.250 314 G HA3 0.130 4.090 3.960 -0.000 0.000 0.250 314 G C 0.375 175.242 174.900 -0.053 0.000 1.212 314 G CA -0.265 44.813 45.100 -0.036 0.000 0.874 314 G HN 0.396 nan 8.290 nan 0.000 0.561 315 C N 0.441 119.767 119.300 0.044 0.000 2.863 315 C HA 0.657 5.117 4.460 -0.000 0.000 0.284 315 C C 1.133 176.137 174.990 0.024 0.000 1.426 315 C CA -0.070 58.889 59.018 -0.098 0.000 1.782 315 C CB -0.939 26.603 27.740 -0.329 0.000 2.554 315 C HN 0.998 nan 8.230 nan 0.000 0.566 316 G N 0.117 108.916 108.800 -0.003 0.000 2.649 316 G HA2 0.521 4.481 3.960 -0.000 0.000 0.290 316 G HA3 0.521 4.481 3.960 -0.000 0.000 0.290 316 G C -2.334 172.469 174.900 -0.162 0.000 1.426 316 G CA -0.645 44.432 45.100 -0.038 0.000 0.794 316 G HN -0.159 nan 8.290 nan 0.000 0.483 317 P HA -0.286 nan 4.420 nan 0.000 0.218 317 P C 1.150 178.381 177.300 -0.115 0.000 1.018 317 P CA 2.223 65.266 63.100 -0.094 0.000 1.016 317 P CB 0.260 31.921 31.700 -0.066 0.000 0.748 318 E N -1.158 118.942 120.200 -0.166 0.000 2.476 318 E HA -0.014 4.336 4.350 -0.000 0.000 0.191 318 E C -0.256 176.258 176.600 -0.144 0.000 1.064 318 E CA -0.070 56.255 56.400 -0.125 0.000 0.866 318 E CB -0.573 29.076 29.700 -0.085 0.000 0.952 318 E HN 0.055 nan 8.360 nan 0.000 0.492 319 K N 1.103 121.390 120.400 -0.187 0.000 3.278 319 K HA -0.213 4.107 4.320 -0.000 0.000 0.270 319 K C -0.483 176.042 176.600 -0.125 0.000 0.955 319 K CA 0.812 57.014 56.287 -0.141 0.000 0.723 319 K CB -1.143 31.306 32.500 -0.084 0.000 1.382 319 K HN 0.393 nan 8.250 nan 0.000 0.461 320 D N -1.762 118.501 120.400 -0.228 0.000 2.423 320 D HA -0.013 4.627 4.640 -0.000 0.000 0.208 320 D C 0.906 177.204 176.300 -0.004 0.000 1.068 320 D CA 0.615 54.546 54.000 -0.114 0.000 0.860 320 D CB 0.061 40.791 40.800 -0.116 0.000 0.992 320 D HN 0.750 nan 8.370 nan 0.000 0.504 321 H N -2.138 116.887 119.070 -0.076 0.000 3.436 321 H HA 0.752 5.308 4.556 -0.000 0.000 0.312 321 H C -0.628 174.727 175.328 0.044 0.000 1.675 321 H CA -1.301 54.758 56.048 0.018 0.000 1.361 321 H CB 1.102 30.880 29.762 0.026 0.000 1.731 321 H HN -0.166 nan 8.280 nan 0.000 0.732 322 V N -1.267 118.778 119.914 0.218 0.000 3.271 322 V HA 0.298 4.418 4.120 -0.000 0.000 0.305 322 V C -1.602 174.606 176.094 0.190 0.000 1.303 322 V CA -0.833 61.553 62.300 0.142 0.000 1.038 322 V CB 1.693 33.598 31.823 0.136 0.000 1.197 322 V HN 0.657 nan 8.190 nan 0.000 0.478 323 Y N 0.597 120.853 120.300 -0.073 0.000 2.332 323 Y HA 0.545 5.095 4.550 -0.000 0.000 0.325 323 Y C -0.532 175.382 175.900 0.023 0.000 1.054 323 Y CA -0.610 57.450 58.100 -0.067 0.000 1.119 323 Y CB 1.750 40.180 38.460 -0.050 0.000 1.168 323 Y HN 0.434 nan 8.280 nan 0.000 0.439 324 L N 4.818 126.068 121.223 0.045 0.000 2.290 324 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 324 L C -0.379 176.540 176.870 0.082 0.000 1.078 324 L CA -0.280 54.603 54.840 0.070 0.000 0.815 324 L CB 1.141 43.213 42.059 0.021 0.000 1.162 324 L HN 0.697 nan 8.230 nan 0.000 0.435 325 Q N 4.032 123.920 119.800 0.146 0.000 2.309 325 Q HA 0.453 4.793 4.340 -0.000 0.000 0.264 325 Q C -0.555 175.562 176.000 0.195 0.000 1.008 325 Q CA -0.544 55.374 55.803 0.192 0.000 0.853 325 Q CB 1.841 30.730 28.738 0.252 0.000 1.314 325 Q HN 0.842 nan 8.270 nan 0.000 0.448 326 L N 1.595 122.918 121.223 0.167 0.000 3.406 326 L HA 0.085 4.425 4.340 -0.000 0.000 0.309 326 L C 1.523 178.399 176.870 0.009 0.000 1.159 326 L CA -0.122 54.739 54.840 0.034 0.000 1.122 326 L CB -0.141 41.929 42.059 0.018 0.000 1.633 326 L HN 0.786 nan 8.230 nan 0.000 0.607 327 H N 2.360 121.480 119.070 0.083 0.000 2.304 327 H HA -0.310 4.246 4.556 -0.000 0.000 0.287 327 H C 2.207 177.589 175.328 0.090 0.000 1.112 327 H CA 2.710 58.815 56.048 0.096 0.000 1.200 327 H CB -0.198 29.648 29.762 0.139 0.000 1.349 327 H HN 0.501 nan 8.280 nan 0.000 0.477 328 H N -0.408 118.537 119.070 -0.209 0.000 2.568 328 H HA 0.023 4.579 4.556 -0.000 0.000 0.281 328 H C 0.289 175.528 175.328 -0.149 0.000 1.028 328 H CA 0.275 56.177 56.048 -0.243 0.000 1.199 328 H CB -0.580 29.145 29.762 -0.062 0.000 1.352 328 H HN 0.216 nan 8.280 nan 0.000 0.605 329 L N 2.286 123.276 121.223 -0.387 0.000 2.350 329 L HA 0.322 4.662 4.340 -0.000 0.000 0.275 329 L C -2.072 174.704 176.870 -0.157 0.000 1.099 329 L CA -2.185 52.494 54.840 -0.268 0.000 0.808 329 L CB 1.051 42.955 42.059 -0.258 0.000 1.149 329 L HN -0.019 nan 8.230 nan 0.000 0.442 330 P HA 0.049 nan 4.420 nan 0.000 0.260 330 P C -1.817 175.444 177.300 -0.064 0.000 1.185 330 P CA -0.670 62.386 63.100 -0.074 0.000 0.763 330 P CB 0.127 31.793 31.700 -0.057 0.000 0.776 331 P HA -0.249 nan 4.420 nan 0.000 0.218 331 P C 1.250 178.530 177.300 -0.032 0.000 1.150 331 P CA 1.527 64.608 63.100 -0.032 0.000 0.841 331 P CB 0.000 31.690 31.700 -0.017 0.000 0.784 332 E N -0.622 119.556 120.200 -0.037 0.000 2.072 332 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 332 E C 2.090 178.660 176.600 -0.049 0.000 0.982 332 E CA 0.943 57.319 56.400 -0.039 0.000 0.803 332 E CB -0.580 29.097 29.700 -0.039 0.000 0.755 332 E HN 0.451 nan 8.360 nan 0.000 0.453 333 Q N 0.682 120.449 119.800 -0.055 0.000 2.170 333 Q HA -0.105 4.234 4.340 -0.000 0.000 0.203 333 Q C 2.155 178.122 176.000 -0.055 0.000 0.976 333 Q CA 0.830 56.596 55.803 -0.062 0.000 0.858 333 Q CB -0.007 28.694 28.738 -0.062 0.000 0.907 333 Q HN 0.237 nan 8.270 nan 0.000 0.433 334 L N -0.197 120.997 121.223 -0.048 0.000 2.478 334 L HA 0.012 4.352 4.340 -0.000 0.000 0.223 334 L C 2.153 179.005 176.870 -0.031 0.000 1.140 334 L CA 0.510 55.329 54.840 -0.035 0.000 0.842 334 L CB -0.225 41.816 42.059 -0.029 0.000 0.953 334 L HN 0.247 nan 8.230 nan 0.000 0.452 335 A N -0.815 121.983 122.820 -0.037 0.000 2.044 335 A HA 0.062 4.382 4.320 -0.000 0.000 0.213 335 A C 2.022 179.579 177.584 -0.045 0.000 1.169 335 A CA 0.563 52.579 52.037 -0.035 0.000 0.724 335 A CB 0.022 19.002 19.000 -0.033 0.000 0.840 335 A HN 0.164 nan 8.150 nan 0.000 0.463 336 V N -0.681 119.197 119.914 -0.060 0.000 3.471 336 V HA 0.078 4.198 4.120 -0.000 0.000 0.258 336 V C 2.075 178.115 176.094 -0.089 0.000 1.192 336 V CA 0.820 63.071 62.300 -0.081 0.000 1.116 336 V CB -0.322 31.436 31.823 -0.108 0.000 0.792 336 V HN 0.372 nan 8.190 nan 0.000 0.459 337 R N -0.301 120.158 120.500 -0.067 0.000 2.287 337 R HA 0.422 4.762 4.340 -0.000 0.000 0.197 337 R C 0.692 176.984 176.300 -0.013 0.000 0.900 337 R CA 0.433 56.508 56.100 -0.043 0.000 1.052 337 R CB 0.484 30.766 30.300 -0.031 0.000 1.117 337 R HN 0.366 nan 8.270 nan 0.000 0.568 338 L N 2.174 123.388 121.223 -0.016 0.000 3.186 338 L HA 0.277 4.617 4.340 -0.000 0.000 0.317 338 L C -1.686 175.177 176.870 -0.011 0.000 1.296 338 L CA -0.825 54.012 54.840 -0.005 0.000 0.870 338 L CB 1.627 43.687 42.059 0.003 0.000 1.302 338 L HN -0.128 nan 8.230 nan 0.000 0.590 339 P HA -0.129 nan 4.420 nan 0.000 0.218 339 P C 1.531 178.819 177.300 -0.020 0.000 1.149 339 P CA 1.470 64.556 63.100 -0.022 0.000 0.817 339 P CB 0.373 32.054 31.700 -0.032 0.000 0.785 340 G N 1.249 110.035 108.800 -0.024 0.000 2.408 340 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 340 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 340 G C 1.643 176.537 174.900 -0.011 0.000 1.150 340 G CA 0.747 45.831 45.100 -0.026 0.000 0.776 340 G HN 0.438 nan 8.290 nan 0.000 0.542 341 I N -1.715 118.853 120.570 -0.004 0.000 2.617 341 I HA 0.050 4.220 4.170 -0.000 0.000 0.256 341 I C 2.492 178.617 176.117 0.013 0.000 1.167 341 I CA 1.130 62.432 61.300 0.003 0.000 1.469 341 I CB -0.263 37.742 38.000 0.008 0.000 1.098 341 I HN -0.049 nan 8.210 nan 0.000 0.436 342 S N 1.420 117.125 115.700 0.009 0.000 2.370 342 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 342 S C 1.798 176.412 174.600 0.023 0.000 1.033 342 S CA 1.898 60.105 58.200 0.013 0.000 1.011 342 S CB -0.373 62.830 63.200 0.005 0.000 0.852 342 S HN 0.586 nan 8.310 nan 0.000 0.457 343 E N 0.477 120.691 120.200 0.022 0.000 2.012 343 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 343 E C 2.552 179.199 176.600 0.079 0.000 1.007 343 E CA 1.688 58.110 56.400 0.036 0.000 0.816 343 E CB -0.437 29.279 29.700 0.026 0.000 0.762 343 E HN 0.612 nan 8.360 nan 0.000 0.451 344 T N -0.214 114.401 114.554 0.100 0.000 2.867 344 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 344 T C 1.973 176.790 174.700 0.196 0.000 1.057 344 T CA 1.245 63.468 62.100 0.205 0.000 1.136 344 T CB -0.164 68.758 68.868 0.089 0.000 0.874 344 T HN 0.189 nan 8.240 nan 0.000 0.466 345 A N 1.292 124.168 122.820 0.094 0.000 1.908 345 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 345 A C 2.389 180.020 177.584 0.078 0.000 1.181 345 A CA 2.149 54.227 52.037 0.069 0.000 0.627 345 A CB -0.835 18.181 19.000 0.028 0.000 0.818 345 A HN 0.614 nan 8.150 nan 0.000 0.445 346 M N 0.052 119.691 119.600 0.066 0.000 2.098 346 M HA 0.041 4.521 4.480 -0.000 0.000 0.262 346 M C 1.841 178.166 176.300 0.041 0.000 1.072 346 M CA 1.693 57.019 55.300 0.043 0.000 1.133 346 M CB -0.548 32.068 32.600 0.027 0.000 1.344 346 M HN 0.357 nan 8.290 nan 0.000 0.414 347 I N -0.868 119.735 120.570 0.055 0.000 2.264 347 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 347 I C 1.395 177.408 176.117 -0.173 0.000 1.111 347 I CA 1.360 62.633 61.300 -0.044 0.000 1.382 347 I CB -0.452 37.535 38.000 -0.021 0.000 1.060 347 I HN 0.223 nan 8.210 nan 0.000 0.418 348 F N -0.338 119.614 119.950 0.004 0.000 2.717 348 F HA 0.286 4.813 4.527 0.000 0.000 0.295 348 F C 2.041 177.852 175.800 0.019 0.000 1.117 348 F CA 0.573 58.579 58.000 0.010 0.000 1.361 348 F CB 0.049 39.052 39.000 0.005 0.000 1.112 348 F HN -0.081 nan 8.300 nan 0.000 0.594 349 A N -0.804 122.112 122.820 0.160 0.000 2.026 349 A HA 0.539 4.859 4.320 -0.000 0.000 0.198 349 A C 1.532 179.150 177.584 0.056 0.000 1.390 349 A CA 0.571 52.669 52.037 0.101 0.000 0.915 349 A CB -0.413 18.627 19.000 0.067 0.000 0.974 349 A HN 0.411 nan 8.150 nan 0.000 0.477 350 G N -0.348 108.476 108.800 0.041 0.000 2.452 350 G HA2 0.040 4.000 3.960 -0.000 0.000 0.275 350 G HA3 0.040 4.000 3.960 -0.000 0.000 0.275 350 G C -0.408 174.503 174.900 0.019 0.000 1.131 350 G CA 0.112 45.225 45.100 0.022 0.000 1.031 350 G HN 1.095 nan 8.290 nan 0.000 0.511 351 V N -0.093 119.830 119.914 0.016 0.000 2.962 351 V HA 0.612 4.732 4.120 -0.000 0.000 0.313 351 V C -0.891 175.211 176.094 0.013 0.000 1.099 351 V CA -0.995 61.309 62.300 0.007 0.000 0.971 351 V CB 2.324 34.139 31.823 -0.015 0.000 1.028 351 V HN 0.300 nan 8.190 nan 0.000 0.430 352 D N 1.949 122.359 120.400 0.017 0.000 2.485 352 D HA 0.282 4.922 4.640 -0.000 0.000 0.229 352 D C 1.126 177.448 176.300 0.037 0.000 1.101 352 D CA -0.282 53.733 54.000 0.026 0.000 0.906 352 D CB 1.518 42.336 40.800 0.030 0.000 1.019 352 D HN 0.388 nan 8.370 nan 0.000 0.516 353 V N 0.602 120.535 119.914 0.032 0.000 2.439 353 V HA -0.286 3.834 4.120 -0.000 0.000 0.253 353 V C 2.053 178.193 176.094 0.077 0.000 1.074 353 V CA 2.124 64.450 62.300 0.043 0.000 1.076 353 V CB -1.146 30.692 31.823 0.025 0.000 0.664 353 V HN 0.508 nan 8.190 nan 0.000 0.461 354 T N -0.883 113.712 114.554 0.069 0.000 3.025 354 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 354 T C 1.329 176.155 174.700 0.211 0.000 1.126 354 T CA 1.845 63.996 62.100 0.086 0.000 1.105 354 T CB -0.278 68.619 68.868 0.048 0.000 0.884 354 T HN 0.754 nan 8.240 nan 0.000 0.522 355 K N -0.094 120.432 120.400 0.210 0.000 2.586 355 K HA 0.234 4.554 4.320 -0.000 0.000 0.198 355 K C -0.748 175.851 176.600 -0.001 0.000 1.170 355 K CA -0.187 56.232 56.287 0.219 0.000 1.069 355 K CB 1.145 33.710 32.500 0.108 0.000 0.944 355 K HN 0.149 nan 8.250 nan 0.000 0.572 356 E N 1.208 121.438 120.200 0.051 0.000 2.378 356 E HA 0.207 4.557 4.350 -0.000 0.000 0.283 356 E C -3.015 173.606 176.600 0.034 0.000 0.979 356 E CA -1.754 54.650 56.400 0.007 0.000 0.795 356 E CB 2.589 32.289 29.700 0.000 0.000 1.221 356 E HN -0.133 nan 8.360 nan 0.000 0.428 357 P HA 0.292 nan 4.420 nan 0.000 0.279 357 P C -0.081 177.097 177.300 -0.203 0.000 1.239 357 P CA -0.488 62.611 63.100 -0.002 0.000 0.789 357 P CB 0.879 32.651 31.700 0.120 0.000 0.933 358 I N 4.091 124.558 120.570 -0.172 0.000 2.428 358 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 358 I C -2.201 173.689 176.117 -0.380 0.000 1.019 358 I CA -3.071 58.093 61.300 -0.227 0.000 1.351 358 I CB 0.281 38.224 38.000 -0.094 0.000 1.412 358 I HN 0.101 nan 8.210 nan 0.000 0.513 359 P HA 0.169 nan 4.420 nan 0.000 0.279 359 P C -0.534 176.632 177.300 -0.224 0.000 1.318 359 P CA -0.043 62.744 63.100 -0.522 0.000 0.819 359 P CB 0.611 32.065 31.700 -0.411 0.000 0.927 360 V N 2.464 122.280 119.914 -0.163 0.000 2.960 360 V HA 0.848 4.968 4.120 -0.000 0.000 0.315 360 V C -0.920 175.218 176.094 0.074 0.000 1.087 360 V CA -1.313 60.984 62.300 -0.005 0.000 0.982 360 V CB 2.283 34.116 31.823 0.017 0.000 1.039 360 V HN 0.278 nan 8.190 nan 0.000 0.437 361 L N 2.105 123.412 121.223 0.141 0.000 2.526 361 L HA 0.779 5.119 4.340 -0.000 0.000 0.263 361 L C -3.110 173.860 176.870 0.166 0.000 0.943 361 L CA -1.609 53.346 54.840 0.191 0.000 0.859 361 L CB 2.252 44.494 42.059 0.305 0.000 1.313 361 L HN 0.497 nan 8.230 nan 0.000 0.406 362 P HA 0.186 nan 4.420 nan 0.000 0.258 362 P C -1.027 176.422 177.300 0.248 0.000 1.187 362 P CA 0.510 63.702 63.100 0.154 0.000 0.767 362 P CB 0.241 32.001 31.700 0.100 0.000 0.770 363 T N -0.444 114.250 114.554 0.233 0.000 2.906 363 T HA 0.424 4.774 4.350 -0.000 0.000 0.295 363 T C -0.124 174.582 174.700 0.010 0.000 1.075 363 T CA -0.935 61.283 62.100 0.196 0.000 1.005 363 T CB 0.554 69.486 68.868 0.106 0.000 1.136 363 T HN -0.059 nan 8.240 nan 0.000 0.498 364 V N 2.368 122.114 119.914 -0.281 0.000 2.843 364 V HA 0.142 4.262 4.120 -0.000 0.000 0.305 364 V C 1.097 177.027 176.094 -0.273 0.000 1.120 364 V CA 1.044 62.922 62.300 -0.704 0.000 1.254 364 V CB 0.298 31.620 31.823 -0.836 0.000 0.901 364 V HN 1.208 nan 8.190 nan 0.000 0.503 365 H N 3.008 121.846 119.070 -0.386 0.000 1.775 365 H HA 0.274 4.830 4.556 -0.000 0.000 0.164 365 H C -0.528 174.717 175.328 -0.138 0.000 0.968 365 H CA 0.138 56.071 56.048 -0.192 0.000 1.007 365 H CB 0.366 30.096 29.762 -0.055 0.000 0.967 365 H HN 0.540 nan 8.280 nan 0.000 0.327 366 Y N 1.061 121.167 120.300 -0.323 0.000 2.536 366 Y HA 0.482 5.032 4.550 -0.000 0.000 0.347 366 Y C -1.375 174.333 175.900 -0.320 0.000 1.000 366 Y CA -1.259 56.618 58.100 -0.372 0.000 1.051 366 Y CB 1.603 39.911 38.460 -0.253 0.000 1.259 366 Y HN 0.215 nan 8.280 nan 0.000 0.468 367 N N 5.587 123.575 118.700 -1.187 0.000 2.558 367 N HA 0.205 4.945 4.740 -0.000 0.000 0.242 367 N C 0.541 175.580 175.510 -0.785 0.000 0.979 367 N CA -0.493 52.048 53.050 -0.847 0.000 0.931 367 N CB 1.012 38.971 38.487 -0.880 0.000 1.122 367 N HN 0.579 nan 8.380 nan 0.000 0.508 368 M N -0.324 119.126 119.600 -0.249 0.000 2.229 368 M HA 0.099 4.579 4.480 -0.000 0.000 0.264 368 M C 1.117 177.422 176.300 0.008 0.000 1.063 368 M CA 0.573 55.897 55.300 0.039 0.000 1.114 368 M CB -1.037 31.669 32.600 0.175 0.000 1.387 368 M HN 0.364 nan 8.290 nan 0.000 0.420 369 G N -0.136 108.675 108.800 0.018 0.000 2.599 369 G HA2 0.521 4.481 3.960 -0.000 0.000 0.264 369 G HA3 0.521 4.481 3.960 -0.000 0.000 0.264 369 G C 0.084 174.996 174.900 0.019 0.000 1.200 369 G CA 0.185 45.315 45.100 0.049 0.000 0.896 369 G HN 0.594 nan 8.290 nan 0.000 0.536 370 G N -1.221 107.580 108.800 0.001 0.000 2.399 370 G HA2 0.285 4.245 3.960 -0.000 0.000 0.256 370 G HA3 0.285 4.245 3.960 -0.000 0.000 0.256 370 G C -0.880 173.977 174.900 -0.072 0.000 1.236 370 G CA -0.839 44.251 45.100 -0.017 0.000 0.914 370 G HN 0.766 nan 8.290 nan 0.000 0.482 371 I N 2.479 122.998 120.570 -0.085 0.000 2.517 371 I HA 0.233 4.403 4.170 -0.000 0.000 0.285 371 I C -2.095 173.941 176.117 -0.135 0.000 1.106 371 I CA -1.339 59.895 61.300 -0.110 0.000 1.402 371 I CB 1.118 39.060 38.000 -0.097 0.000 1.399 371 I HN 0.050 nan 8.210 nan 0.000 0.535 372 P HA 0.004 nan 4.420 nan 0.000 0.260 372 P C -0.462 176.742 177.300 -0.160 0.000 1.185 372 P CA 0.587 63.586 63.100 -0.168 0.000 0.763 372 P CB 0.494 32.100 31.700 -0.156 0.000 0.776 373 T N 2.492 116.940 114.554 -0.176 0.000 2.916 373 T HA 0.311 4.661 4.350 -0.000 0.000 0.292 373 T C -0.312 174.298 174.700 -0.149 0.000 1.064 373 T CA -0.662 61.335 62.100 -0.171 0.000 1.011 373 T CB 1.406 70.162 68.868 -0.187 0.000 1.152 373 T HN 0.255 nan 8.240 nan 0.000 0.510 374 N N -0.607 118.001 118.700 -0.154 0.000 2.482 374 N HA 0.272 5.012 4.740 -0.000 0.000 0.279 374 N C 0.566 176.008 175.510 -0.113 0.000 1.182 374 N CA -0.558 52.404 53.050 -0.148 0.000 0.969 374 N CB 0.783 39.125 38.487 -0.242 0.000 1.201 374 N HN 0.768 nan 8.380 nan 0.000 0.523 375 Y N 0.126 120.397 120.300 -0.048 0.000 2.632 375 Y HA 0.185 4.735 4.550 -0.000 0.000 0.301 375 Y C 0.760 176.605 175.900 -0.091 0.000 1.172 375 Y CA 0.659 58.759 58.100 0.000 0.000 1.328 375 Y CB -0.061 38.393 38.460 -0.011 0.000 1.016 375 Y HN 0.331 nan 8.280 nan 0.000 0.529 376 K N 0.343 120.428 120.400 -0.525 0.000 2.372 376 K HA 0.329 4.649 4.320 -0.000 0.000 0.200 376 K C 1.347 177.911 176.600 -0.059 0.000 1.022 376 K CA 0.397 56.449 56.287 -0.391 0.000 1.125 376 K CB 0.341 32.556 32.500 -0.475 0.000 0.855 376 K HN 0.551 nan 8.250 nan 0.000 0.524 377 G N 1.584 110.380 108.800 -0.006 0.000 2.199 377 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 377 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 377 G C -0.103 174.752 174.900 -0.075 0.000 0.982 377 G CA -0.085 45.066 45.100 0.085 0.000 0.632 377 G HN 0.385 nan 8.290 nan 0.000 0.529 378 Q N 0.424 120.025 119.800 -0.332 0.000 2.332 378 Q HA 0.505 4.845 4.340 -0.000 0.000 0.263 378 Q C 0.485 176.264 176.000 -0.368 0.000 0.979 378 Q CA -0.389 55.022 55.803 -0.654 0.000 0.885 378 Q CB 1.971 30.338 28.738 -0.619 0.000 1.218 378 Q HN 0.189 nan 8.270 nan 0.000 0.405 379 V N 4.240 123.948 119.914 -0.343 0.000 2.637 379 V HA 0.119 4.239 4.120 -0.000 0.000 0.296 379 V C 0.207 176.196 176.094 -0.175 0.000 1.046 379 V CA 0.035 62.208 62.300 -0.211 0.000 1.066 379 V CB 0.315 32.036 31.823 -0.170 0.000 0.968 379 V HN 0.552 nan 8.190 nan 0.000 0.483 380 L N 5.845 126.989 121.223 -0.132 0.000 2.334 380 L HA 0.765 5.105 4.340 -0.000 0.000 0.273 380 L C 0.036 176.876 176.870 -0.050 0.000 1.013 380 L CA -0.829 53.961 54.840 -0.084 0.000 0.816 380 L CB 1.753 43.776 42.059 -0.060 0.000 1.278 380 L HN 0.750 nan 8.230 nan 0.000 0.431 381 R N -0.716 119.782 120.500 -0.004 0.000 2.854 381 R HA 0.600 4.940 4.340 -0.000 0.000 0.271 381 R C -1.198 175.181 176.300 0.131 0.000 0.994 381 R CA -1.010 55.119 56.100 0.047 0.000 0.945 381 R CB 1.546 31.866 30.300 0.033 0.000 1.194 381 R HN 0.433 nan 8.270 nan 0.000 0.476 382 H N 0.622 119.724 119.070 0.052 0.000 2.541 382 H HA 0.480 5.036 4.556 -0.000 0.000 0.316 382 H C -1.314 174.038 175.328 0.040 0.000 1.043 382 H CA -0.478 55.601 56.048 0.052 0.000 1.232 382 H CB 1.467 31.282 29.762 0.089 0.000 1.406 382 H HN 0.404 nan 8.280 nan 0.000 0.469 383 V N 5.762 125.536 119.914 -0.233 0.000 2.444 383 V HA 0.168 4.288 4.120 -0.000 0.000 0.294 383 V C 0.579 176.526 176.094 -0.245 0.000 1.022 383 V CA -1.070 61.128 62.300 -0.170 0.000 0.850 383 V CB 1.393 33.156 31.823 -0.099 0.000 0.992 383 V HN 1.130 nan 8.190 nan 0.000 0.426 384 N N 3.666 122.262 118.700 -0.172 0.000 2.714 384 N HA -0.230 4.510 4.740 -0.000 0.000 0.252 384 N C 1.024 176.407 175.510 -0.211 0.000 1.014 384 N CA 0.647 53.610 53.050 -0.145 0.000 0.735 384 N CB -0.579 37.844 38.487 -0.107 0.000 0.924 384 N HN 1.632 nan 8.380 nan 0.000 0.540 385 G N -0.487 108.121 108.800 -0.319 0.000 2.203 385 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 385 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 385 G C -0.200 174.442 174.900 -0.430 0.000 1.012 385 G CA 1.060 45.975 45.100 -0.307 0.000 0.749 385 G HN 0.678 nan 8.290 nan 0.000 0.512 386 Q N -0.528 118.888 119.800 -0.639 0.000 2.423 386 Q HA 0.452 4.792 4.340 -0.000 0.000 0.278 386 Q C -1.188 174.670 176.000 -0.237 0.000 1.097 386 Q CA -1.133 54.491 55.803 -0.298 0.000 0.809 386 Q CB 1.598 30.238 28.738 -0.163 0.000 1.391 386 Q HN 0.196 nan 8.270 nan 0.000 0.428 387 D N 1.928 122.322 120.400 -0.009 0.000 2.345 387 D HA 0.125 4.765 4.640 -0.000 0.000 0.247 387 D C -0.732 175.559 176.300 -0.014 0.000 1.108 387 D CA 0.295 54.327 54.000 0.053 0.000 0.894 387 D CB 1.071 41.912 40.800 0.067 0.000 1.203 387 D HN 0.284 nan 8.370 nan 0.000 0.430 388 Q N 0.944 120.735 119.800 -0.015 0.000 2.289 388 Q HA 0.358 4.698 4.340 -0.000 0.000 0.270 388 Q C -1.535 174.432 176.000 -0.056 0.000 1.038 388 Q CA -0.756 55.023 55.803 -0.040 0.000 0.812 388 Q CB 1.982 30.695 28.738 -0.041 0.000 1.300 388 Q HN 0.181 nan 8.270 nan 0.000 0.427 389 V N 3.644 123.511 119.914 -0.078 0.000 2.555 389 V HA 0.126 4.246 4.120 -0.000 0.000 0.286 389 V C -0.073 175.955 176.094 -0.111 0.000 1.044 389 V CA -0.227 62.001 62.300 -0.119 0.000 1.026 389 V CB 1.365 33.103 31.823 -0.142 0.000 0.981 389 V HN 0.587 nan 8.190 nan 0.000 0.480 390 V N 8.683 128.517 119.914 -0.133 0.000 2.372 390 V HA 0.190 4.310 4.120 -0.000 0.000 0.261 390 V C -2.053 173.967 176.094 -0.123 0.000 1.055 390 V CA -1.705 60.530 62.300 -0.107 0.000 0.930 390 V CB 0.729 32.491 31.823 -0.103 0.000 1.031 390 V HN 0.804 nan 8.190 nan 0.000 0.479 391 P HA 0.082 nan 4.420 nan 0.000 0.261 391 P C 0.979 178.255 177.300 -0.040 0.000 1.173 391 P CA 1.226 64.291 63.100 -0.059 0.000 0.760 391 P CB 0.360 32.041 31.700 -0.031 0.000 0.783 392 G N 1.667 110.464 108.800 -0.005 0.000 2.249 392 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.273 392 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.273 392 G C -0.459 174.482 174.900 0.067 0.000 1.036 392 G CA -0.089 45.052 45.100 0.068 0.000 0.824 392 G HN 0.573 nan 8.290 nan 0.000 0.504 393 L N -0.314 120.889 121.223 -0.032 0.000 2.438 393 L HA 0.845 5.185 4.340 -0.000 0.000 0.270 393 L C -1.003 175.752 176.870 -0.193 0.000 0.972 393 L CA -1.759 53.059 54.840 -0.035 0.000 0.831 393 L CB 1.342 43.351 42.059 -0.083 0.000 1.273 393 L HN 0.114 nan 8.230 nan 0.000 0.405 394 Y N 2.835 123.078 120.300 -0.095 0.000 2.602 394 Y HA 0.922 5.472 4.550 -0.000 0.000 0.342 394 Y C -0.017 175.827 175.900 -0.093 0.000 1.029 394 Y CA -0.587 57.454 58.100 -0.098 0.000 1.080 394 Y CB 2.359 40.755 38.460 -0.107 0.000 1.284 394 Y HN 0.717 nan 8.280 nan 0.000 0.485 395 A N 0.588 123.445 122.820 0.062 0.000 2.574 395 A HA 0.865 5.185 4.320 -0.000 0.000 0.297 395 A C -1.281 176.308 177.584 0.008 0.000 1.062 395 A CA -0.594 51.445 52.037 0.003 0.000 0.686 395 A CB 0.590 19.560 19.000 -0.050 0.000 1.285 395 A HN 1.173 nan 8.150 nan 0.000 0.403 396 C N -0.473 118.831 119.300 0.008 0.000 3.288 396 C HA 1.034 5.494 4.460 -0.000 0.000 0.318 396 C C 0.669 175.679 174.990 0.034 0.000 1.356 396 C CA -0.040 58.999 59.018 0.035 0.000 1.359 396 C CB 0.950 28.756 27.740 0.109 0.000 1.688 396 C HN 3.053 nan 8.230 nan 0.000 0.467 397 G N 0.663 109.506 108.800 0.072 0.000 2.587 397 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.212 397 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.212 397 G C 0.373 175.324 174.900 0.086 0.000 1.327 397 G CA 0.728 45.887 45.100 0.098 0.000 0.898 397 G HN 1.355 nan 8.290 nan 0.000 0.551 398 E N -0.073 120.176 120.200 0.081 0.000 2.153 398 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 398 E C 2.734 179.272 176.600 -0.104 0.000 0.988 398 E CA 1.826 58.214 56.400 -0.021 0.000 0.811 398 E CB -0.378 29.253 29.700 -0.116 0.000 0.746 398 E HN 1.056 nan 8.360 nan 0.000 0.466 399 A N 0.703 123.486 122.820 -0.061 0.000 2.121 399 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 399 A C 1.171 178.723 177.584 -0.052 0.000 1.154 399 A CA 0.944 52.952 52.037 -0.049 0.000 0.679 399 A CB -0.285 18.691 19.000 -0.041 0.000 0.795 399 A HN 0.335 nan 8.150 nan 0.000 0.458 400 A N -1.948 120.838 122.820 -0.058 0.000 2.269 400 A HA 0.512 4.832 4.320 -0.000 0.000 0.319 400 A C -0.121 177.398 177.584 -0.108 0.000 1.110 400 A CA -0.089 51.895 52.037 -0.089 0.000 0.847 400 A CB 0.686 19.623 19.000 -0.104 0.000 1.161 400 A HN 0.697 nan 8.150 nan 0.000 0.497 401 C N 1.701 120.911 119.300 -0.150 0.000 3.445 401 C HA 0.586 5.046 4.460 -0.000 0.000 0.213 401 C C 1.361 176.205 174.990 -0.244 0.000 1.319 401 C CA -0.016 58.897 59.018 -0.174 0.000 1.402 401 C CB -0.996 26.650 27.740 -0.156 0.000 1.819 401 C HN 0.981 nan 8.230 nan 0.000 0.491 402 A N 1.514 124.147 122.820 -0.310 0.000 2.067 402 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 402 A C 1.326 178.749 177.584 -0.268 0.000 1.156 402 A CA 1.277 53.115 52.037 -0.332 0.000 0.683 402 A CB -0.302 18.338 19.000 -0.601 0.000 0.808 402 A HN 1.704 nan 8.150 nan 0.000 0.455 403 S N -1.941 113.593 115.700 -0.276 0.000 3.681 403 S HA -0.132 4.338 4.470 -0.000 0.000 0.473 403 S C 0.432 174.929 174.600 -0.172 0.000 0.830 403 S CA 0.494 58.577 58.200 -0.195 0.000 1.355 403 S CB -1.525 61.565 63.200 -0.183 0.000 0.892 403 S HN 1.370 nan 8.310 nan 0.000 0.649 404 V N 3.929 123.647 119.914 -0.326 0.000 3.644 404 V HA 0.208 4.328 4.120 -0.000 0.000 0.267 404 V C 1.554 177.489 176.094 -0.266 0.000 1.277 404 V CA 1.239 63.376 62.300 -0.272 0.000 1.096 404 V CB -0.023 31.623 31.823 -0.295 0.000 0.828 404 V HN 0.874 nan 8.190 nan 0.000 0.446 405 H N -0.016 119.051 119.070 -0.005 0.000 2.639 405 H HA 0.415 4.971 4.556 -0.000 0.000 0.267 405 H C 1.706 177.013 175.328 -0.035 0.000 0.958 405 H CA 0.514 56.564 56.048 0.002 0.000 1.221 405 H CB 0.261 30.073 29.762 0.083 0.000 1.446 405 H HN 0.487 nan 8.280 nan 0.000 0.512 406 G N 1.358 110.175 108.800 0.029 0.000 2.622 406 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.307 406 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.307 406 G C 1.319 176.109 174.900 -0.182 0.000 1.226 406 G CA 1.549 46.614 45.100 -0.058 0.000 0.997 406 G HN 0.599 nan 8.290 nan 0.000 0.551 407 A N 0.315 123.006 122.820 -0.215 0.000 2.251 407 A HA 0.445 4.765 4.320 -0.000 0.000 0.209 407 A C 0.944 178.610 177.584 0.136 0.000 1.187 407 A CA 1.571 53.486 52.037 -0.203 0.000 0.823 407 A CB -0.222 18.785 19.000 0.012 0.000 0.846 407 A HN 1.297 nan 8.150 nan 0.000 0.486 408 N N -0.272 118.476 118.700 0.080 0.000 2.777 408 N HA 0.059 4.799 4.740 -0.000 0.000 0.260 408 N C -1.285 174.258 175.510 0.056 0.000 1.113 408 N CA -0.443 52.664 53.050 0.095 0.000 0.996 408 N CB 1.096 39.626 38.487 0.071 0.000 1.584 408 N HN 0.332 nan 8.380 nan 0.000 0.573 409 R N 3.511 124.032 120.500 0.035 0.000 2.401 409 R HA 0.218 4.558 4.340 -0.000 0.000 0.299 409 R C -0.578 175.654 176.300 -0.112 0.000 1.064 409 R CA -0.306 55.733 56.100 -0.102 0.000 1.000 409 R CB 0.522 30.540 30.300 -0.471 0.000 0.973 409 R HN 0.392 nan 8.270 nan 0.000 0.438 410 L N 4.288 125.483 121.223 -0.047 0.000 2.367 410 L HA 0.267 4.607 4.340 -0.000 0.000 0.275 410 L C 0.612 177.442 176.870 -0.066 0.000 1.129 410 L CA 0.699 55.512 54.840 -0.045 0.000 0.839 410 L CB 1.199 43.288 42.059 0.051 0.000 1.133 410 L HN 0.847 nan 8.230 nan 0.000 0.453 411 G N 3.753 112.467 108.800 -0.144 0.000 2.321 411 G HA2 0.355 4.315 3.960 -0.000 0.000 0.237 411 G HA3 0.355 4.315 3.960 -0.000 0.000 0.237 411 G C 0.730 175.746 174.900 0.193 0.000 1.282 411 G CA 0.279 45.297 45.100 -0.137 0.000 0.886 411 G HN 1.608 nan 8.290 nan 0.000 0.528 412 A N 1.659 124.657 122.820 0.296 0.000 3.080 412 A HA -0.182 4.138 4.320 -0.000 0.000 0.254 412 A C 1.551 179.253 177.584 0.198 0.000 1.277 412 A CA 1.334 53.553 52.037 0.304 0.000 1.065 412 A CB -1.788 17.443 19.000 0.385 0.000 1.160 412 A HN 0.677 nan 8.150 nan 0.000 0.886 413 N N -0.877 117.910 118.700 0.144 0.000 2.282 413 N HA 0.159 4.899 4.740 -0.000 0.000 0.185 413 N C 1.593 177.226 175.510 0.206 0.000 1.099 413 N CA 1.158 54.337 53.050 0.214 0.000 0.878 413 N CB 0.257 38.899 38.487 0.259 0.000 0.993 413 N HN 0.572 nan 8.380 nan 0.000 0.481 414 S N -0.010 115.697 115.700 0.013 0.000 2.377 414 S HA 0.151 4.621 4.470 -0.000 0.000 0.223 414 S C 1.734 176.415 174.600 0.134 0.000 1.030 414 S CA 0.489 58.695 58.200 0.010 0.000 0.970 414 S CB -0.101 62.944 63.200 -0.258 0.000 0.830 414 S HN 0.212 nan 8.310 nan 0.000 0.473 415 L N 1.058 122.351 121.223 0.116 0.000 2.131 415 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 415 L C 2.451 179.415 176.870 0.158 0.000 1.092 415 L CA 0.848 55.767 54.840 0.132 0.000 0.759 415 L CB -0.520 41.612 42.059 0.122 0.000 0.903 415 L HN 0.373 nan 8.230 nan 0.000 0.435 416 L N 0.499 121.829 121.223 0.178 0.000 2.027 416 L HA -0.240 4.100 4.340 -0.000 0.000 0.206 416 L C 2.160 179.156 176.870 0.210 0.000 1.074 416 L CA 2.129 57.078 54.840 0.182 0.000 0.745 416 L CB -0.668 41.518 42.059 0.211 0.000 0.898 416 L HN 0.248 nan 8.230 nan 0.000 0.433 417 D N -0.629 119.948 120.400 0.295 0.000 2.116 417 D HA -0.244 4.396 4.640 -0.000 0.000 0.193 417 D C 2.101 178.638 176.300 0.394 0.000 0.998 417 D CA 1.673 55.934 54.000 0.434 0.000 0.836 417 D CB -0.194 40.858 40.800 0.420 0.000 0.951 417 D HN 0.261 nan 8.370 nan 0.000 0.449 418 L N 0.094 121.472 121.223 0.259 0.000 1.971 418 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 418 L C 2.824 179.781 176.870 0.146 0.000 1.072 418 L CA 1.265 56.218 54.840 0.187 0.000 0.758 418 L CB -1.048 41.096 42.059 0.141 0.000 0.889 418 L HN 0.056 nan 8.230 nan 0.000 0.433 419 V N -1.468 118.518 119.914 0.121 0.000 2.358 419 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 419 V C 2.350 178.454 176.094 0.017 0.000 1.047 419 V CA 1.304 63.646 62.300 0.070 0.000 1.035 419 V CB -0.077 31.797 31.823 0.085 0.000 0.658 419 V HN 0.246 nan 8.190 nan 0.000 0.452 420 V N -0.670 119.242 119.914 -0.003 0.000 2.270 420 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 420 V C 2.090 178.029 176.094 -0.259 0.000 1.043 420 V CA 2.269 64.459 62.300 -0.183 0.000 1.014 420 V CB -0.689 30.928 31.823 -0.344 0.000 0.645 420 V HN 0.501 nan 8.190 nan 0.000 0.447 421 F N 0.965 120.976 119.950 0.101 0.000 2.456 421 F HA 0.154 4.681 4.527 -0.000 0.000 0.298 421 F C 2.313 178.115 175.800 0.004 0.000 1.104 421 F CA 0.921 58.959 58.000 0.064 0.000 1.435 421 F CB -1.032 37.995 39.000 0.046 0.000 1.078 421 F HN 0.178 nan 8.300 nan 0.000 0.546 422 G N 0.279 109.138 108.800 0.099 0.000 2.421 422 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.216 422 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.216 422 G C 1.771 176.618 174.900 -0.088 0.000 1.171 422 G CA 0.810 45.903 45.100 -0.012 0.000 0.775 422 G HN 0.266 nan 8.290 nan 0.000 0.543 423 R N 0.561 121.011 120.500 -0.084 0.000 2.081 423 R HA 0.045 4.385 4.340 -0.000 0.000 0.235 423 R C 2.850 179.106 176.300 -0.072 0.000 1.131 423 R CA 1.512 57.553 56.100 -0.097 0.000 0.960 423 R CB -0.430 29.830 30.300 -0.066 0.000 0.856 423 R HN 0.271 nan 8.270 nan 0.000 0.436 424 A N 0.441 123.240 122.820 -0.035 0.000 1.940 424 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 424 A C 2.469 180.011 177.584 -0.069 0.000 1.176 424 A CA 1.653 53.669 52.037 -0.035 0.000 0.631 424 A CB -0.941 18.012 19.000 -0.078 0.000 0.814 424 A HN 0.606 nan 8.150 nan 0.000 0.446 425 C N -1.141 118.116 119.300 -0.071 0.000 2.436 425 C HA 0.037 4.497 4.460 -0.000 0.000 0.277 425 C C 3.344 178.090 174.990 -0.406 0.000 1.241 425 C CA 0.848 59.741 59.018 -0.208 0.000 1.721 425 C CB -1.398 26.239 27.740 -0.170 0.000 2.043 425 C HN 0.719 nan 8.230 nan 0.000 0.472 426 A N 0.293 122.925 122.820 -0.313 0.000 1.908 426 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 426 A C 2.128 179.544 177.584 -0.280 0.000 1.181 426 A CA 1.652 53.486 52.037 -0.338 0.000 0.627 426 A CB -0.692 18.149 19.000 -0.265 0.000 0.818 426 A HN 0.643 nan 8.150 nan 0.000 0.445 427 L N -0.509 120.610 121.223 -0.173 0.000 2.141 427 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 427 L C 2.691 179.500 176.870 -0.101 0.000 1.094 427 L CA 1.385 56.167 54.840 -0.097 0.000 0.763 427 L CB -0.341 41.697 42.059 -0.034 0.000 0.908 427 L HN 0.332 nan 8.230 nan 0.000 0.437 428 S N -0.174 115.446 115.700 -0.133 0.000 2.428 428 S HA -0.012 4.458 4.470 -0.000 0.000 0.230 428 S C 1.899 176.431 174.600 -0.112 0.000 1.014 428 S CA 0.857 59.017 58.200 -0.066 0.000 0.957 428 S CB -0.048 63.201 63.200 0.082 0.000 0.784 428 S HN 0.297 nan 8.310 nan 0.000 0.499 429 I N 1.499 121.876 120.570 -0.322 0.000 2.333 429 I HA -0.065 4.105 4.170 -0.000 0.000 0.246 429 I C 2.648 178.623 176.117 -0.237 0.000 1.106 429 I CA 0.899 61.967 61.300 -0.387 0.000 1.411 429 I CB -0.410 37.160 38.000 -0.716 0.000 1.082 429 I HN 0.243 nan 8.210 nan 0.000 0.420 430 A N 0.397 123.097 122.820 -0.200 0.000 1.972 430 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 430 A C 2.111 179.774 177.584 0.132 0.000 1.169 430 A CA 1.562 53.678 52.037 0.131 0.000 0.635 430 A CB -0.473 18.604 19.000 0.128 0.000 0.810 430 A HN 0.455 nan 8.150 nan 0.000 0.446 431 E N -0.275 119.950 120.200 0.043 0.000 2.385 431 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 431 E C 1.813 178.442 176.600 0.049 0.000 1.013 431 E CA 0.810 57.237 56.400 0.045 0.000 0.866 431 E CB 0.089 29.802 29.700 0.022 0.000 0.832 431 E HN 0.760 nan 8.360 nan 0.000 0.500 432 S N -0.784 114.947 115.700 0.052 0.000 2.512 432 S HA 0.113 4.583 4.470 -0.000 0.000 0.216 432 S C 0.736 175.383 174.600 0.079 0.000 1.006 432 S CA -0.239 57.995 58.200 0.055 0.000 0.915 432 S CB -0.155 63.077 63.200 0.053 0.000 0.824 432 S HN 0.354 nan 8.310 nan 0.000 0.497 433 C N -0.072 119.306 119.300 0.130 0.000 3.293 433 C HA 0.846 5.306 4.460 -0.000 0.000 0.362 433 C C -1.488 173.637 174.990 0.225 0.000 1.539 433 C CA -1.073 58.040 59.018 0.158 0.000 1.201 433 C CB 1.059 28.898 27.740 0.166 0.000 1.770 433 C HN 0.258 nan 8.230 nan 0.000 0.440 434 R N 0.547 121.125 120.500 0.130 0.000 2.740 434 R HA 0.667 5.007 4.340 -0.000 0.000 0.282 434 R C -2.998 173.176 176.300 -0.210 0.000 0.969 434 R CA -1.919 54.145 56.100 -0.060 0.000 0.918 434 R CB 1.605 31.864 30.300 -0.069 0.000 1.175 434 R HN 0.548 nan 8.270 nan 0.000 0.464 435 P HA 0.082 nan 4.420 nan 0.000 0.269 435 P C 0.634 177.814 177.300 -0.199 0.000 1.209 435 P CA 0.830 63.600 63.100 -0.550 0.000 0.776 435 P CB 0.571 31.824 31.700 -0.744 0.000 0.876 436 G N 1.015 109.768 108.800 -0.078 0.000 2.195 436 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.246 436 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.246 436 G C 0.151 175.044 174.900 -0.012 0.000 0.984 436 G CA -0.248 44.827 45.100 -0.042 0.000 0.633 436 G HN 0.502 nan 8.290 nan 0.000 0.525 437 D N 0.609 121.014 120.400 0.007 0.000 2.362 437 D HA 0.240 4.880 4.640 -0.000 0.000 0.238 437 D C 0.925 177.243 176.300 0.031 0.000 1.212 437 D CA 0.209 54.224 54.000 0.025 0.000 0.902 437 D CB 0.501 41.331 40.800 0.051 0.000 1.180 437 D HN 0.464 nan 8.370 nan 0.000 0.445 438 K N 0.618 121.033 120.400 0.026 0.000 2.453 438 K HA 0.067 4.387 4.320 -0.000 0.000 0.280 438 K C -0.923 175.698 176.600 0.035 0.000 1.045 438 K CA -0.194 56.107 56.287 0.024 0.000 1.059 438 K CB 0.273 32.784 32.500 0.019 0.000 0.901 438 K HN 0.062 nan 8.250 nan 0.000 0.475 439 V N 8.003 127.938 119.914 0.035 0.000 2.408 439 V HA 0.164 4.284 4.120 -0.000 0.000 0.267 439 V C -1.897 174.217 176.094 0.033 0.000 1.047 439 V CA -1.825 60.501 62.300 0.043 0.000 0.937 439 V CB 0.731 32.584 31.823 0.050 0.000 0.999 439 V HN 0.892 nan 8.190 nan 0.000 0.472 440 P HA -0.006 nan 4.420 nan 0.000 0.266 440 P C 0.298 177.612 177.300 0.022 0.000 1.180 440 P CA 0.367 63.482 63.100 0.024 0.000 0.765 440 P CB 0.319 32.033 31.700 0.024 0.000 0.806 441 S N 2.230 117.940 115.700 0.017 0.000 2.617 441 S HA 0.363 4.833 4.470 -0.000 0.000 0.255 441 S C -0.116 174.493 174.600 0.015 0.000 1.318 441 S CA -0.100 58.109 58.200 0.014 0.000 0.978 441 S CB 0.183 63.389 63.200 0.010 0.000 0.961 441 S HN 0.380 nan 8.310 nan 0.000 0.582 442 I N -0.032 120.546 120.570 0.014 0.000 2.685 442 I HA 0.375 4.545 4.170 -0.000 0.000 0.289 442 I C -1.018 175.105 176.117 0.010 0.000 1.292 442 I CA -0.483 60.825 61.300 0.014 0.000 1.050 442 I CB 1.954 39.965 38.000 0.020 0.000 1.301 442 I HN 0.804 nan 8.210 nan 0.000 0.425 443 K N 7.747 128.151 120.400 0.008 0.000 2.436 443 K HA 0.210 4.530 4.320 -0.000 0.000 0.275 443 K C -1.852 174.752 176.600 0.007 0.000 0.999 443 K CA -1.064 55.226 56.287 0.006 0.000 0.980 443 K CB 0.202 32.704 32.500 0.004 0.000 0.919 443 K HN 0.353 nan 8.250 nan 0.000 0.484 444 P HA -0.121 nan 4.420 nan 0.000 0.234 444 P C -0.117 177.187 177.300 0.006 0.000 1.162 444 P CA 1.086 64.189 63.100 0.006 0.000 0.759 444 P CB 0.220 31.923 31.700 0.004 0.000 0.813 445 N N -1.519 117.184 118.700 0.006 0.000 2.177 445 N HA 0.143 4.883 4.740 -0.000 0.000 0.218 445 N C 0.198 175.710 175.510 0.004 0.000 1.182 445 N CA -0.138 52.915 53.050 0.005 0.000 0.882 445 N CB 0.498 38.987 38.487 0.003 0.000 1.052 445 N HN 0.002 nan 8.380 nan 0.000 0.519 446 A N 0.330 123.154 122.820 0.006 0.000 2.548 446 A HA 0.421 4.741 4.320 -0.000 0.000 0.247 446 A C 1.438 179.025 177.584 0.006 0.000 1.067 446 A CA 1.109 53.150 52.037 0.006 0.000 0.757 446 A CB -0.325 18.680 19.000 0.010 0.000 0.996 446 A HN 0.447 nan 8.150 nan 0.000 0.504 447 G N 1.797 110.598 108.800 0.002 0.000 2.195 447 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.246 447 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.246 447 G C 0.850 175.744 174.900 -0.010 0.000 0.984 447 G CA 0.941 46.041 45.100 -0.001 0.000 0.633 447 G HN 0.932 nan 8.290 nan 0.000 0.525 448 E N 0.594 120.789 120.200 -0.008 0.000 2.114 448 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 448 E C 2.143 178.730 176.600 -0.022 0.000 1.008 448 E CA 1.950 58.342 56.400 -0.013 0.000 0.810 448 E CB -0.179 29.518 29.700 -0.005 0.000 0.739 448 E HN 0.759 nan 8.360 nan 0.000 0.456 449 E N -0.260 119.929 120.200 -0.017 0.000 2.077 449 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 449 E C 2.280 178.862 176.600 -0.030 0.000 0.989 449 E CA 1.279 57.667 56.400 -0.019 0.000 0.800 449 E CB -0.055 29.638 29.700 -0.012 0.000 0.746 449 E HN 0.166 nan 8.360 nan 0.000 0.452 450 S N 0.640 116.323 115.700 -0.028 0.000 2.356 450 S HA -0.138 4.332 4.470 -0.000 0.000 0.223 450 S C 2.282 176.836 174.600 -0.076 0.000 1.032 450 S CA 1.090 59.269 58.200 -0.035 0.000 1.005 450 S CB -0.242 62.948 63.200 -0.017 0.000 0.867 450 S HN 0.062 nan 8.310 nan 0.000 0.449 451 V N 2.233 122.087 119.914 -0.100 0.000 2.343 451 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 451 V C 2.267 178.233 176.094 -0.213 0.000 1.051 451 V CA 1.760 63.938 62.300 -0.204 0.000 1.036 451 V CB -0.716 30.998 31.823 -0.181 0.000 0.654 451 V HN 0.462 nan 8.190 nan 0.000 0.451 452 M N 0.313 119.848 119.600 -0.108 0.000 2.080 452 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 452 M C 2.323 178.589 176.300 -0.057 0.000 1.068 452 M CA 2.183 57.445 55.300 -0.063 0.000 1.109 452 M CB -0.803 31.778 32.600 -0.031 0.000 1.342 452 M HN 0.518 nan 8.290 nan 0.000 0.405 453 N N 0.980 119.645 118.700 -0.059 0.000 2.223 453 N HA -0.176 4.564 4.740 -0.000 0.000 0.185 453 N C 1.756 177.227 175.510 -0.065 0.000 1.016 453 N CA 1.003 54.023 53.050 -0.050 0.000 0.863 453 N CB -0.014 38.447 38.487 -0.043 0.000 0.983 453 N HN 0.263 nan 8.380 nan 0.000 0.429 454 L N 2.074 123.231 121.223 -0.110 0.000 1.988 454 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 454 L C 2.038 178.856 176.870 -0.087 0.000 1.071 454 L CA 2.100 56.854 54.840 -0.143 0.000 0.744 454 L CB -1.720 40.187 42.059 -0.252 0.000 0.893 454 L HN 0.155 nan 8.230 nan 0.000 0.433 455 D N -0.404 119.937 120.400 -0.099 0.000 2.190 455 D HA -0.273 4.367 4.640 -0.000 0.000 0.200 455 D C 2.111 178.558 176.300 0.244 0.000 0.992 455 D CA 1.539 55.644 54.000 0.174 0.000 0.854 455 D CB 0.168 41.078 40.800 0.184 0.000 0.936 455 D HN 0.202 nan 8.370 nan 0.000 0.462 456 K N -0.266 120.192 120.400 0.098 0.000 1.965 456 K HA -0.093 4.227 4.320 -0.000 0.000 0.214 456 K C 1.959 178.608 176.600 0.080 0.000 1.046 456 K CA 1.218 57.553 56.287 0.081 0.000 0.944 456 K CB -0.687 31.822 32.500 0.014 0.000 0.726 456 K HN 0.099 nan 8.250 nan 0.000 0.441 457 L N 1.455 122.685 121.223 0.012 0.000 2.187 457 L HA -0.075 4.265 4.340 -0.000 0.000 0.213 457 L C 2.486 179.332 176.870 -0.039 0.000 1.100 457 L CA 1.413 56.237 54.840 -0.027 0.000 0.765 457 L CB -0.808 41.211 42.059 -0.066 0.000 0.904 457 L HN 0.231 nan 8.230 nan 0.000 0.437 458 R N -0.169 120.316 120.500 -0.025 0.000 2.103 458 R HA -0.145 4.195 4.340 -0.000 0.000 0.242 458 R C 1.359 177.451 176.300 -0.346 0.000 1.142 458 R CA 1.717 57.712 56.100 -0.174 0.000 0.960 458 R CB -0.405 29.835 30.300 -0.099 0.000 0.858 458 R HN 0.358 nan 8.270 nan 0.000 0.439 459 F N 0.076 120.022 119.950 -0.007 0.000 2.684 459 F HA 0.402 4.929 4.527 0.000 0.000 0.298 459 F C 0.572 176.340 175.800 -0.054 0.000 1.120 459 F CA -0.385 57.601 58.000 -0.023 0.000 1.332 459 F CB -0.044 38.953 39.000 -0.006 0.000 0.986 459 F HN -0.112 nan 8.300 nan 0.000 0.524 460 A N 0.869 123.718 122.820 0.048 0.000 2.540 460 A HA -0.041 4.279 4.320 -0.000 0.000 0.264 460 A C 0.834 178.378 177.584 -0.067 0.000 1.080 460 A CA 0.355 52.385 52.037 -0.010 0.000 0.776 460 A CB -0.536 18.435 19.000 -0.049 0.000 1.011 460 A HN 0.640 nan 8.150 nan 0.000 0.514 461 N N 2.202 120.879 118.700 -0.038 0.000 2.273 461 N HA 0.171 4.911 4.740 -0.000 0.000 0.231 461 N C 1.205 176.679 175.510 -0.060 0.000 1.134 461 N CA 0.023 53.032 53.050 -0.068 0.000 0.856 461 N CB 0.447 38.921 38.487 -0.023 0.000 1.068 461 N HN 0.803 nan 8.380 nan 0.000 0.510 462 G N -0.265 108.507 108.800 -0.047 0.000 2.393 462 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.268 462 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.268 462 G C 0.724 175.611 174.900 -0.021 0.000 1.472 462 G CA 0.404 45.504 45.100 -0.001 0.000 1.059 462 G HN 0.075 nan 8.290 nan 0.000 0.555 463 T N -0.919 113.639 114.554 0.007 0.000 2.955 463 T HA 0.299 4.649 4.350 -0.000 0.000 0.251 463 T C 0.805 175.515 174.700 0.017 0.000 1.002 463 T CA -0.297 61.798 62.100 -0.007 0.000 0.970 463 T CB -0.116 68.725 68.868 -0.046 0.000 1.091 463 T HN 0.244 nan 8.240 nan 0.000 0.495 464 I N 2.366 122.957 120.570 0.035 0.000 2.359 464 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 464 I C 0.201 176.348 176.117 0.050 0.000 0.987 464 I CA -0.969 60.359 61.300 0.047 0.000 1.225 464 I CB 1.541 39.574 38.000 0.055 0.000 1.366 464 I HN -0.087 nan 8.210 nan 0.000 0.466 465 R N 3.440 123.989 120.500 0.083 0.000 2.390 465 R HA 0.199 4.539 4.340 -0.000 0.000 0.291 465 R C 0.893 177.242 176.300 0.080 0.000 1.070 465 R CA -0.133 56.040 56.100 0.121 0.000 1.014 465 R CB 1.057 31.463 30.300 0.176 0.000 1.007 465 R HN 0.761 nan 8.270 nan 0.000 0.466 466 T N 1.354 115.951 114.554 0.071 0.000 2.649 466 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 466 T C 1.799 176.528 174.700 0.049 0.000 1.036 466 T CA 2.282 64.407 62.100 0.042 0.000 1.157 466 T CB -0.263 68.624 68.868 0.032 0.000 0.861 466 T HN 0.816 nan 8.240 nan 0.000 0.445 467 S N 1.635 117.373 115.700 0.063 0.000 2.399 467 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 467 S C 1.880 176.519 174.600 0.066 0.000 1.022 467 S CA 1.129 59.366 58.200 0.062 0.000 0.983 467 S CB -0.424 62.810 63.200 0.057 0.000 0.803 467 S HN 0.636 nan 8.310 nan 0.000 0.480 468 E N 0.858 121.097 120.200 0.064 0.000 2.051 468 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 468 E C 2.067 178.698 176.600 0.051 0.000 0.991 468 E CA 1.157 57.592 56.400 0.058 0.000 0.799 468 E CB -0.338 29.396 29.700 0.057 0.000 0.748 468 E HN 0.364 nan 8.360 nan 0.000 0.449 469 L N 1.603 122.853 121.223 0.045 0.000 1.994 469 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 469 L C 2.407 179.302 176.870 0.041 0.000 1.071 469 L CA 1.744 56.605 54.840 0.034 0.000 0.745 469 L CB -0.521 41.549 42.059 0.018 0.000 0.892 469 L HN -0.027 nan 8.230 nan 0.000 0.431 470 R N -0.914 119.616 120.500 0.050 0.000 2.103 470 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 470 R C 2.254 178.609 176.300 0.092 0.000 1.142 470 R CA 1.938 58.078 56.100 0.068 0.000 0.960 470 R CB -0.498 29.848 30.300 0.076 0.000 0.858 470 R HN 0.378 nan 8.270 nan 0.000 0.439 471 L N 0.671 121.951 121.223 0.096 0.000 2.141 471 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 471 L C 1.961 178.871 176.870 0.067 0.000 1.094 471 L CA 1.735 56.645 54.840 0.116 0.000 0.763 471 L CB -0.343 41.780 42.059 0.107 0.000 0.908 471 L HN 0.066 nan 8.230 nan 0.000 0.437 472 S N -0.735 114.992 115.700 0.045 0.000 2.368 472 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 472 S C 1.922 176.533 174.600 0.019 0.000 1.029 472 S CA 1.670 59.883 58.200 0.022 0.000 0.988 472 S CB -0.387 62.826 63.200 0.022 0.000 0.838 472 S HN 0.587 nan 8.310 nan 0.000 0.462 473 M N 1.384 121.003 119.600 0.032 0.000 2.132 473 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 473 M C 2.094 178.404 176.300 0.015 0.000 1.065 473 M CA 1.463 56.776 55.300 0.021 0.000 1.122 473 M CB -0.277 32.344 32.600 0.035 0.000 1.365 473 M HN 0.287 nan 8.290 nan 0.000 0.411 474 Q N 0.213 120.055 119.800 0.071 0.000 2.046 474 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 474 Q C 1.975 178.037 176.000 0.103 0.000 0.975 474 Q CA 1.560 57.438 55.803 0.124 0.000 0.836 474 Q CB -0.149 28.757 28.738 0.280 0.000 0.896 474 Q HN 0.545 nan 8.270 nan 0.000 0.428 475 K N 0.138 120.559 120.400 0.036 0.000 2.211 475 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 475 K C 2.219 178.829 176.600 0.016 0.000 1.050 475 K CA 0.859 57.107 56.287 -0.064 0.000 0.945 475 K CB 0.088 32.459 32.500 -0.215 0.000 0.732 475 K HN 0.027 nan 8.250 nan 0.000 0.451 476 S N 0.806 116.520 115.700 0.023 0.000 2.371 476 S HA -0.042 4.428 4.470 -0.000 0.000 0.224 476 S C 1.880 176.532 174.600 0.088 0.000 1.029 476 S CA 0.934 59.172 58.200 0.065 0.000 0.978 476 S CB 0.004 63.174 63.200 -0.051 0.000 0.833 476 S HN 0.198 nan 8.310 nan 0.000 0.466 477 M N 1.077 120.632 119.600 -0.074 0.000 2.132 477 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 477 M C 2.289 178.503 176.300 -0.143 0.000 1.065 477 M CA 1.367 56.509 55.300 -0.264 0.000 1.122 477 M CB -1.373 30.787 32.600 -0.734 0.000 1.365 477 M HN 0.238 nan 8.290 nan 0.000 0.411 478 Q N 0.534 120.335 119.800 0.001 0.000 2.170 478 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 478 Q C 2.058 178.179 176.000 0.202 0.000 0.976 478 Q CA 2.397 58.350 55.803 0.250 0.000 0.858 478 Q CB -0.084 28.826 28.738 0.287 0.000 0.907 478 Q HN 0.626 nan 8.270 nan 0.000 0.433 479 S N -2.017 113.764 115.700 0.135 0.000 2.441 479 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 479 S C 1.307 175.860 174.600 -0.079 0.000 1.043 479 S CA 0.693 58.906 58.200 0.022 0.000 0.948 479 S CB -0.322 62.851 63.200 -0.045 0.000 0.810 479 S HN 0.497 nan 8.310 nan 0.000 0.504 480 H N 1.443 120.534 119.070 0.035 0.000 2.547 480 H HA 0.605 5.161 4.556 -0.000 0.000 0.272 480 H C 1.071 176.434 175.328 0.059 0.000 0.971 480 H CA 0.579 56.645 56.048 0.031 0.000 1.245 480 H CB 0.248 30.014 29.762 0.007 0.000 1.440 480 H HN 0.558 nan 8.280 nan 0.000 0.540 481 A N 0.294 123.243 122.820 0.214 0.000 2.959 481 A HA 0.731 5.051 4.320 -0.000 0.000 0.280 481 A C 0.715 178.534 177.584 0.392 0.000 0.953 481 A CA 0.098 52.286 52.037 0.252 0.000 1.047 481 A CB -0.468 18.686 19.000 0.256 0.000 1.147 481 A HN 0.340 nan 8.150 nan 0.000 0.489 482 A N -0.401 122.561 122.820 0.236 0.000 2.896 482 A HA 0.547 4.867 4.320 -0.000 0.000 0.232 482 A C 1.429 178.744 177.584 -0.448 0.000 1.809 482 A CA 0.525 52.614 52.037 0.086 0.000 0.855 482 A CB -0.554 18.470 19.000 0.039 0.000 1.773 482 A HN 0.634 nan 8.150 nan 0.000 0.644 483 V N -1.328 118.020 119.914 -0.944 0.000 2.720 483 V HA -0.056 4.064 4.120 -0.000 0.000 0.256 483 V C -0.038 175.553 176.094 -0.839 0.000 1.082 483 V CA 1.374 63.038 62.300 -1.060 0.000 1.101 483 V CB -1.253 29.987 31.823 -0.972 0.000 0.693 483 V HN 0.427 nan 8.190 nan 0.000 0.479 484 F N 0.124 119.933 119.950 -0.236 0.000 2.556 484 F HA 0.728 5.255 4.527 -0.000 0.000 0.314 484 F C 0.253 175.976 175.800 -0.129 0.000 1.106 484 F CA -1.341 56.562 58.000 -0.161 0.000 0.911 484 F CB 1.721 40.648 39.000 -0.121 0.000 1.190 484 F HN -0.049 nan 8.300 nan 0.000 0.448 485 R N 1.367 121.919 120.500 0.087 0.000 2.764 485 R HA 0.957 5.297 4.340 -0.000 0.000 0.270 485 R C -1.911 174.387 176.300 -0.002 0.000 1.014 485 R CA -1.261 54.847 56.100 0.014 0.000 0.904 485 R CB 2.271 32.553 30.300 -0.030 0.000 1.236 485 R HN 0.463 nan 8.270 nan 0.000 0.466 486 V N -3.039 116.876 119.914 0.002 0.000 3.048 486 V HA 0.534 4.654 4.120 -0.000 0.000 0.303 486 V C 0.999 177.105 176.094 0.021 0.000 1.214 486 V CA -0.315 61.982 62.300 -0.004 0.000 0.984 486 V CB 1.566 33.365 31.823 -0.040 0.000 1.054 486 V HN 0.887 nan 8.190 nan 0.000 0.430 487 G N 1.693 110.518 108.800 0.042 0.000 2.606 487 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.221 487 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.221 487 G C 1.318 176.236 174.900 0.030 0.000 1.152 487 G CA 1.911 47.043 45.100 0.053 0.000 0.765 487 G HN 1.001 nan 8.290 nan 0.000 0.595 488 S N 0.068 115.778 115.700 0.018 0.000 2.354 488 S HA -0.148 4.322 4.470 -0.000 0.000 0.219 488 S C 2.474 177.099 174.600 0.042 0.000 1.035 488 S CA 1.478 59.690 58.200 0.019 0.000 1.037 488 S CB -0.702 62.499 63.200 0.002 0.000 0.956 488 S HN 0.206 nan 8.310 nan 0.000 0.428 489 V N 2.234 122.168 119.914 0.033 0.000 2.392 489 V HA -0.181 3.939 4.120 -0.000 0.000 0.249 489 V C 2.200 178.388 176.094 0.156 0.000 1.059 489 V CA 1.559 63.893 62.300 0.056 0.000 1.051 489 V CB -0.879 30.933 31.823 -0.017 0.000 0.658 489 V HN 0.359 nan 8.190 nan 0.000 0.455 490 L N -0.866 120.408 121.223 0.085 0.000 2.044 490 L HA -0.158 4.181 4.340 -0.000 0.000 0.205 490 L C 2.742 179.609 176.870 -0.004 0.000 1.075 490 L CA 1.503 56.379 54.840 0.060 0.000 0.747 490 L CB -0.557 41.522 42.059 0.033 0.000 0.903 490 L HN 0.311 nan 8.230 nan 0.000 0.435 491 Q N -0.349 119.443 119.800 -0.015 0.000 2.084 491 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 491 Q C 2.100 178.071 176.000 -0.048 0.000 0.978 491 Q CA 1.435 57.200 55.803 -0.064 0.000 0.844 491 Q CB -0.101 28.617 28.738 -0.033 0.000 0.898 491 Q HN 0.480 nan 8.270 nan 0.000 0.426 492 E N -0.003 120.212 120.200 0.024 0.000 2.110 492 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 492 E C 1.941 178.465 176.600 -0.127 0.000 0.988 492 E CA 1.071 57.485 56.400 0.024 0.000 0.804 492 E CB -0.098 29.692 29.700 0.150 0.000 0.745 492 E HN 0.410 nan 8.360 nan 0.000 0.458 493 G N 0.539 109.243 108.800 -0.160 0.000 2.402 493 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 493 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 493 G C 1.755 176.520 174.900 -0.225 0.000 1.162 493 G CA 0.892 45.726 45.100 -0.443 0.000 0.777 493 G HN 0.360 nan 8.290 nan 0.000 0.539 494 C N 1.469 120.659 119.300 -0.184 0.000 2.413 494 C HA -0.067 4.393 4.460 -0.000 0.000 0.278 494 C C 2.948 177.930 174.990 -0.013 0.000 1.224 494 C CA 1.353 60.249 59.018 -0.204 0.000 1.732 494 C CB -0.963 26.381 27.740 -0.660 0.000 2.050 494 C HN 0.788 nan 8.230 nan 0.000 0.463 495 E N 1.290 121.465 120.200 -0.042 0.000 2.204 495 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 495 E C 1.943 178.544 176.600 0.000 0.000 0.989 495 E CA 1.121 57.532 56.400 0.019 0.000 0.824 495 E CB -0.346 29.358 29.700 0.007 0.000 0.756 495 E HN 0.622 nan 8.360 nan 0.000 0.477 496 K N 0.364 120.723 120.400 -0.068 0.000 2.057 496 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 496 K C 2.069 178.642 176.600 -0.045 0.000 1.050 496 K CA 0.870 57.102 56.287 -0.092 0.000 0.935 496 K CB 0.059 32.410 32.500 -0.248 0.000 0.715 496 K HN 0.114 nan 8.250 nan 0.000 0.439 497 I N 1.278 121.829 120.570 -0.032 0.000 2.500 497 I HA -0.150 4.020 4.170 -0.000 0.000 0.252 497 I C 1.913 178.090 176.117 0.099 0.000 1.142 497 I CA 0.696 62.014 61.300 0.030 0.000 1.451 497 I CB -0.376 37.645 38.000 0.036 0.000 1.093 497 I HN 0.235 nan 8.210 nan 0.000 0.430 498 L N 0.872 122.165 121.223 0.116 0.000 2.291 498 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 498 L C 2.510 179.453 176.870 0.121 0.000 1.120 498 L CA 1.509 56.419 54.840 0.117 0.000 0.799 498 L CB -0.749 41.383 42.059 0.121 0.000 0.925 498 L HN 0.091 nan 8.230 nan 0.000 0.446 499 R N -0.790 119.763 120.500 0.088 0.000 2.062 499 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 499 R C 2.198 178.547 176.300 0.082 0.000 1.128 499 R CA 1.518 57.662 56.100 0.074 0.000 0.960 499 R CB -0.268 30.059 30.300 0.044 0.000 0.855 499 R HN 0.438 nan 8.270 nan 0.000 0.432 500 L N -0.418 120.849 121.223 0.075 0.000 2.046 500 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 500 L C 2.320 179.226 176.870 0.061 0.000 1.077 500 L CA 1.313 56.188 54.840 0.058 0.000 0.747 500 L CB -0.642 41.444 42.059 0.044 0.000 0.896 500 L HN 0.273 nan 8.230 nan 0.000 0.432 501 Y N 1.059 121.356 120.300 -0.005 0.000 2.241 501 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 501 Y C 2.325 178.209 175.900 -0.026 0.000 1.166 501 Y CA 1.527 59.617 58.100 -0.018 0.000 1.203 501 Y CB -0.393 38.052 38.460 -0.024 0.000 0.977 501 Y HN 0.105 nan 8.280 nan 0.000 0.529 502 G N -0.361 108.526 108.800 0.145 0.000 2.418 502 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 502 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 502 G C 1.300 176.168 174.900 -0.053 0.000 1.158 502 G CA 1.095 46.233 45.100 0.063 0.000 0.771 502 G HN 0.389 nan 8.290 nan 0.000 0.545 503 D N 0.629 121.017 120.400 -0.020 0.000 2.309 503 D HA -0.054 4.586 4.640 -0.000 0.000 0.212 503 D C 2.416 178.657 176.300 -0.099 0.000 0.968 503 D CA 0.194 54.185 54.000 -0.013 0.000 0.882 503 D CB -0.134 40.695 40.800 0.049 0.000 0.918 503 D HN 0.302 nan 8.370 nan 0.000 0.503 504 L N 0.822 121.936 121.223 -0.182 0.000 2.556 504 L HA -0.206 4.134 4.340 -0.000 0.000 0.230 504 L C 2.274 179.029 176.870 -0.193 0.000 1.163 504 L CA 0.986 55.696 54.840 -0.216 0.000 0.819 504 L CB -0.407 41.426 42.059 -0.376 0.000 0.939 504 L HN 0.192 nan 8.230 nan 0.000 0.452 505 Q N -2.294 117.360 119.800 -0.244 0.000 2.384 505 Q HA -0.007 4.333 4.340 -0.000 0.000 0.207 505 Q C 0.808 176.654 176.000 -0.257 0.000 0.904 505 Q CA 0.307 55.947 55.803 -0.271 0.000 0.933 505 Q CB 0.193 28.726 28.738 -0.341 0.000 1.077 505 Q HN 0.498 nan 8.270 nan 0.000 0.522 506 H N 1.265 120.309 119.070 -0.044 0.000 2.487 506 H HA 0.219 4.775 4.556 -0.000 0.000 0.290 506 H C -0.050 175.254 175.328 -0.040 0.000 1.081 506 H CA -0.505 55.522 56.048 -0.034 0.000 1.116 506 H CB 0.264 30.013 29.762 -0.022 0.000 1.560 506 H HN 0.223 nan 8.280 nan 0.000 0.548 507 L N -0.482 120.759 121.223 0.031 0.000 2.371 507 L HA 0.497 4.837 4.340 -0.000 0.000 0.272 507 L C 0.185 177.033 176.870 -0.037 0.000 1.124 507 L CA -0.829 54.010 54.840 -0.002 0.000 0.816 507 L CB 0.710 42.751 42.059 -0.030 0.000 1.129 507 L HN -0.226 nan 8.230 nan 0.000 0.448 508 K N 1.173 121.536 120.400 -0.061 0.000 2.244 508 K HA 0.650 4.970 4.320 -0.000 0.000 0.260 508 K C -0.658 175.804 176.600 -0.230 0.000 0.951 508 K CA -0.271 55.907 56.287 -0.183 0.000 0.826 508 K CB 1.650 34.009 32.500 -0.235 0.000 1.108 508 K HN 0.901 nan 8.250 nan 0.000 0.433 509 T N 3.341 117.707 114.554 -0.313 0.000 2.912 509 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 509 T C -0.112 174.339 174.700 -0.415 0.000 1.030 509 T CA -0.508 61.465 62.100 -0.211 0.000 1.020 509 T CB 0.394 69.191 68.868 -0.118 0.000 1.056 509 T HN 0.474 nan 8.240 nan 0.000 0.480 510 F N 0.203 120.135 119.950 -0.030 0.000 2.537 510 F HA 0.348 4.875 4.527 0.000 0.000 0.277 510 F C 1.313 177.087 175.800 -0.043 0.000 1.013 510 F CA -0.485 57.501 58.000 -0.024 0.000 1.332 510 F CB 0.136 39.129 39.000 -0.013 0.000 1.108 510 F HN 0.411 nan 8.300 nan 0.000 0.679 511 D N 1.266 121.754 120.400 0.147 0.000 2.443 511 D HA 0.095 4.735 4.640 -0.000 0.000 0.239 511 D C 0.394 176.656 176.300 -0.062 0.000 1.136 511 D CA 0.564 54.590 54.000 0.043 0.000 0.879 511 D CB 0.811 41.632 40.800 0.035 0.000 1.195 511 D HN 0.210 nan 8.370 nan 0.000 0.443 512 R N 1.671 122.115 120.500 -0.093 0.000 2.544 512 R HA 0.253 4.593 4.340 -0.000 0.000 0.426 512 R C 0.717 176.906 176.300 -0.185 0.000 0.943 512 R CA -0.512 55.447 56.100 -0.237 0.000 1.162 512 R CB 1.178 31.324 30.300 -0.257 0.000 1.588 512 R HN 0.360 nan 8.270 nan 0.000 0.563 513 G N 0.084 108.833 108.800 -0.084 0.000 2.588 513 G HA2 0.150 4.110 3.960 -0.000 0.000 0.281 513 G HA3 0.150 4.110 3.960 -0.000 0.000 0.281 513 G C 0.739 175.617 174.900 -0.037 0.000 1.236 513 G CA -0.457 44.619 45.100 -0.039 0.000 0.969 513 G HN -0.036 nan 8.290 nan 0.000 0.504 514 M N -0.540 119.058 119.600 -0.003 0.000 2.492 514 M HA 0.140 4.620 4.480 -0.000 0.000 0.255 514 M C 0.304 176.626 176.300 0.036 0.000 1.139 514 M CA 0.527 55.836 55.300 0.014 0.000 1.096 514 M CB 0.483 33.092 32.600 0.016 0.000 1.360 514 M HN 0.067 nan 8.290 nan 0.000 0.480 515 V N -0.035 119.919 119.914 0.066 0.000 2.427 515 V HA 0.156 4.276 4.120 -0.000 0.000 0.286 515 V C -0.551 175.667 176.094 0.207 0.000 1.034 515 V CA -0.807 61.573 62.300 0.134 0.000 0.893 515 V CB 0.809 32.724 31.823 0.153 0.000 0.982 515 V HN 0.627 nan 8.190 nan 0.000 0.452 516 W N 3.751 125.049 121.300 -0.003 0.000 7.193 516 W HA -0.232 4.428 4.660 0.000 0.000 0.423 516 W C 0.929 177.437 176.519 -0.018 0.000 1.702 516 W CA 0.486 57.828 57.345 -0.005 0.000 1.167 516 W CB -0.769 28.694 29.460 0.005 0.000 2.934 516 W HN 0.715 nan 8.180 nan 0.000 1.576 517 N N 0.991 119.684 118.700 -0.011 0.000 3.034 517 N HA 0.039 4.779 4.740 -0.000 0.000 0.265 517 N C 1.420 176.886 175.510 -0.073 0.000 1.166 517 N CA 0.919 53.954 53.050 -0.025 0.000 1.081 517 N CB 0.383 38.827 38.487 -0.073 0.000 1.378 517 N HN 0.312 nan 8.380 nan 0.000 0.520 518 T N -1.631 112.929 114.554 0.009 0.000 2.977 518 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 518 T C 1.329 176.008 174.700 -0.034 0.000 1.105 518 T CA 0.755 62.846 62.100 -0.014 0.000 1.116 518 T CB 0.161 69.097 68.868 0.112 0.000 0.878 518 T HN 0.173 nan 8.240 nan 0.000 0.509 519 D N 1.130 121.521 120.400 -0.016 0.000 2.084 519 D HA -0.053 4.587 4.640 -0.000 0.000 0.196 519 D C 1.921 178.182 176.300 -0.065 0.000 0.985 519 D CA 0.698 54.692 54.000 -0.011 0.000 0.826 519 D CB -0.473 40.340 40.800 0.022 0.000 0.978 519 D HN 0.311 nan 8.370 nan 0.000 0.456 520 L N 0.601 121.761 121.223 -0.105 0.000 2.017 520 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 520 L C 2.546 179.276 176.870 -0.232 0.000 1.073 520 L CA 2.116 56.863 54.840 -0.154 0.000 0.745 520 L CB -1.018 40.944 42.059 -0.161 0.000 0.894 520 L HN 0.164 nan 8.230 nan 0.000 0.432 521 V N -2.253 117.479 119.914 -0.304 0.000 2.358 521 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 521 V C 2.227 178.112 176.094 -0.349 0.000 1.047 521 V CA 1.924 63.916 62.300 -0.512 0.000 1.035 521 V CB -0.966 30.500 31.823 -0.595 0.000 0.658 521 V HN 0.593 nan 8.190 nan 0.000 0.452 522 E N 0.249 120.345 120.200 -0.174 0.000 2.209 522 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 522 E C 2.242 178.802 176.600 -0.067 0.000 0.993 522 E CA 1.824 58.179 56.400 -0.075 0.000 0.819 522 E CB -0.241 29.444 29.700 -0.026 0.000 0.745 522 E HN 0.749 nan 8.360 nan 0.000 0.477 523 T N 0.977 115.472 114.554 -0.097 0.000 2.732 523 T HA -0.073 4.277 4.350 -0.000 0.000 0.261 523 T C 1.910 176.553 174.700 -0.095 0.000 1.040 523 T CA 0.567 62.620 62.100 -0.079 0.000 1.145 523 T CB -0.187 68.632 68.868 -0.082 0.000 0.866 523 T HN 0.089 nan 8.240 nan 0.000 0.427 524 L N 0.927 122.051 121.223 -0.164 0.000 2.081 524 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 524 L C 2.680 179.533 176.870 -0.029 0.000 1.080 524 L CA 1.539 56.291 54.840 -0.146 0.000 0.754 524 L CB -0.551 41.308 42.059 -0.333 0.000 0.893 524 L HN 0.392 nan 8.230 nan 0.000 0.433 525 E N -0.439 119.749 120.200 -0.020 0.000 2.106 525 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 525 E C 2.083 178.722 176.600 0.065 0.000 0.984 525 E CA 0.993 57.459 56.400 0.110 0.000 0.806 525 E CB -0.155 29.619 29.700 0.123 0.000 0.750 525 E HN 0.302 nan 8.360 nan 0.000 0.458 526 L N 1.476 122.711 121.223 0.020 0.000 2.017 526 L HA -0.240 4.100 4.340 -0.000 0.000 0.208 526 L C 2.162 179.030 176.870 -0.003 0.000 1.073 526 L CA 1.826 56.673 54.840 0.013 0.000 0.745 526 L CB -0.339 41.714 42.059 -0.009 0.000 0.894 526 L HN 0.053 nan 8.230 nan 0.000 0.432 527 Q N -0.549 119.236 119.800 -0.026 0.000 2.112 527 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 527 Q C 1.964 177.971 176.000 0.011 0.000 0.987 527 Q CA 1.854 57.631 55.803 -0.042 0.000 0.858 527 Q CB -0.276 28.435 28.738 -0.045 0.000 0.905 527 Q HN 0.616 nan 8.270 nan 0.000 0.420 528 N N 0.544 119.266 118.700 0.038 0.000 2.106 528 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 528 N C 1.874 177.397 175.510 0.021 0.000 1.029 528 N CA 0.981 54.056 53.050 0.042 0.000 0.848 528 N CB -0.365 38.167 38.487 0.076 0.000 1.007 528 N HN 0.204 nan 8.380 nan 0.000 0.423 529 L N 0.391 121.639 121.223 0.041 0.000 2.127 529 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 529 L C 2.301 179.184 176.870 0.021 0.000 1.089 529 L CA 0.817 55.682 54.840 0.042 0.000 0.757 529 L CB -0.313 41.794 42.059 0.080 0.000 0.899 529 L HN 0.148 nan 8.230 nan 0.000 0.434 530 M N -0.518 119.107 119.600 0.042 0.000 2.086 530 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 530 M C 2.383 178.743 176.300 0.100 0.000 1.067 530 M CA 1.788 57.144 55.300 0.092 0.000 1.116 530 M CB -0.970 31.698 32.600 0.113 0.000 1.348 530 M HN 0.241 nan 8.290 nan 0.000 0.407 531 L N -0.908 120.365 121.223 0.083 0.000 2.127 531 L HA -0.275 4.065 4.340 -0.000 0.000 0.211 531 L C 2.562 179.368 176.870 -0.106 0.000 1.089 531 L CA 0.953 55.800 54.840 0.012 0.000 0.757 531 L CB -0.721 41.343 42.059 0.008 0.000 0.899 531 L HN 0.357 nan 8.230 nan 0.000 0.434 532 C N -0.601 118.592 119.300 -0.179 0.000 2.466 532 C HA -0.012 4.448 4.460 -0.000 0.000 0.278 532 C C 3.129 177.956 174.990 -0.272 0.000 1.288 532 C CA 0.499 59.272 59.018 -0.409 0.000 1.722 532 C CB -0.902 26.365 27.740 -0.788 0.000 2.017 532 C HN 0.604 nan 8.230 nan 0.000 0.488 533 A N 0.534 123.289 122.820 -0.109 0.000 1.902 533 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 533 A C 1.939 179.542 177.584 0.032 0.000 1.181 533 A CA 1.494 53.528 52.037 -0.005 0.000 0.623 533 A CB -0.589 18.422 19.000 0.017 0.000 0.818 533 A HN 0.434 nan 8.150 nan 0.000 0.443 534 L N 0.070 121.301 121.223 0.013 0.000 2.012 534 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 534 L C 2.749 179.650 176.870 0.052 0.000 1.073 534 L CA 2.180 57.033 54.840 0.021 0.000 0.748 534 L CB -0.885 41.086 42.059 -0.145 0.000 0.891 534 L HN 0.503 nan 8.230 nan 0.000 0.431 535 Q N -1.811 117.972 119.800 -0.029 0.000 2.172 535 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 535 Q C 2.027 178.068 176.000 0.069 0.000 0.964 535 Q CA 1.687 57.485 55.803 -0.008 0.000 0.855 535 Q CB -0.298 28.390 28.738 -0.084 0.000 0.918 535 Q HN 0.511 nan 8.270 nan 0.000 0.444 536 T N 1.488 116.085 114.554 0.072 0.000 2.701 536 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 536 T C 1.853 176.646 174.700 0.156 0.000 1.040 536 T CA 0.952 63.139 62.100 0.145 0.000 1.147 536 T CB -0.195 68.810 68.868 0.228 0.000 0.865 536 T HN 0.122 nan 8.240 nan 0.000 0.426 537 I N 0.116 120.780 120.570 0.156 0.000 2.252 537 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 537 I C 1.911 178.077 176.117 0.082 0.000 1.102 537 I CA 1.252 62.623 61.300 0.118 0.000 1.385 537 I CB -0.376 37.672 38.000 0.081 0.000 1.064 537 I HN 0.189 nan 8.210 nan 0.000 0.414 538 Y N 0.664 120.978 120.300 0.023 0.000 2.133 538 Y HA -0.065 4.485 4.550 -0.000 0.000 0.287 538 Y C 2.633 178.552 175.900 0.032 0.000 1.134 538 Y CA 1.793 59.908 58.100 0.025 0.000 1.133 538 Y CB -1.338 37.127 38.460 0.009 0.000 0.987 538 Y HN 0.198 nan 8.280 nan 0.000 0.502 539 G N -0.698 108.213 108.800 0.185 0.000 2.462 539 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 539 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 539 G C 1.840 176.736 174.900 -0.008 0.000 1.121 539 G CA 1.012 46.175 45.100 0.106 0.000 0.758 539 G HN 0.489 nan 8.290 nan 0.000 0.559 540 A N 1.358 124.181 122.820 0.005 0.000 1.897 540 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 540 A C 2.181 179.804 177.584 0.064 0.000 1.181 540 A CA 2.036 54.079 52.037 0.010 0.000 0.620 540 A CB -0.374 18.715 19.000 0.149 0.000 0.821 540 A HN 0.511 nan 8.150 nan 0.000 0.443 541 E N 0.615 120.827 120.200 0.019 0.000 2.072 541 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 541 E C 1.770 178.358 176.600 -0.020 0.000 0.985 541 E CA 1.718 58.118 56.400 -0.001 0.000 0.801 541 E CB -0.573 29.079 29.700 -0.080 0.000 0.750 541 E HN 0.386 nan 8.360 nan 0.000 0.452 542 A N 0.921 123.729 122.820 -0.019 0.000 1.969 542 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 542 A C 1.754 179.113 177.584 -0.374 0.000 1.169 542 A CA 0.844 52.879 52.037 -0.003 0.000 0.635 542 A CB -0.555 18.568 19.000 0.204 0.000 0.810 542 A HN 0.216 nan 8.150 nan 0.000 0.445 543 R N 1.044 121.202 120.500 -0.570 0.000 2.351 543 R HA 0.145 4.485 4.340 -0.000 0.000 0.321 543 R C -0.906 174.817 176.300 -0.962 0.000 1.182 543 R CA 0.023 55.397 56.100 -1.210 0.000 1.011 543 R CB -0.229 29.536 30.300 -0.892 0.000 1.048 543 R HN 0.187 nan 8.270 nan 0.000 0.490 544 K N 4.745 124.282 120.400 -1.438 0.000 2.333 544 K HA 0.059 4.379 4.320 -0.000 0.000 0.241 544 K C -0.842 175.212 176.600 -0.910 0.000 1.193 544 K CA -0.133 55.461 56.287 -1.155 0.000 1.142 544 K CB 0.319 31.930 32.500 -1.483 0.000 1.731 544 K HN 0.699 nan 8.250 nan 0.000 0.344 545 E N -1.672 118.303 120.200 -0.374 0.000 2.429 545 E HA 0.313 4.663 4.350 -0.000 0.000 0.277 545 E C -1.304 175.366 176.600 0.116 0.000 1.130 545 E CA -1.109 55.269 56.400 -0.037 0.000 0.875 545 E CB 0.851 30.534 29.700 -0.028 0.000 1.443 545 E HN -0.071 nan 8.360 nan 0.000 0.444 546 S N 0.014 115.814 115.700 0.166 0.000 2.707 546 S HA 0.571 5.041 4.470 -0.000 0.000 0.312 546 S C -1.105 173.622 174.600 0.212 0.000 1.116 546 S CA -0.686 57.618 58.200 0.174 0.000 1.078 546 S CB 0.802 64.091 63.200 0.147 0.000 0.997 546 S HN 0.444 nan 8.310 nan 0.000 0.477 547 R N 1.992 122.654 120.500 0.270 0.000 2.564 547 R HA 0.587 4.927 4.340 -0.000 0.000 0.284 547 R C 0.765 177.288 176.300 0.371 0.000 1.031 547 R CA 0.279 56.572 56.100 0.322 0.000 0.904 547 R CB 1.185 31.716 30.300 0.386 0.000 1.199 547 R HN 0.848 nan 8.270 nan 0.000 0.443 548 G N 2.258 111.228 108.800 0.283 0.000 2.634 548 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.309 548 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.309 548 G C 0.810 175.842 174.900 0.220 0.000 1.265 548 G CA 0.704 45.957 45.100 0.254 0.000 0.998 548 G HN 0.842 nan 8.290 nan 0.000 0.551 549 A N -1.088 121.893 122.820 0.269 0.000 2.015 549 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 549 A C 1.398 179.050 177.584 0.114 0.000 1.163 549 A CA 1.844 53.991 52.037 0.184 0.000 0.646 549 A CB -0.431 18.721 19.000 0.253 0.000 0.806 549 A HN 0.969 nan 8.150 nan 0.000 0.448 550 H N 0.482 119.555 119.070 0.003 0.000 3.004 550 H HA 0.474 5.030 4.556 -0.000 0.000 0.267 550 H C -0.653 174.641 175.328 -0.055 0.000 1.165 550 H CA 0.293 56.251 56.048 -0.149 0.000 1.450 550 H CB 0.095 29.566 29.762 -0.485 0.000 1.488 550 H HN 0.250 nan 8.280 nan 0.000 0.478 551 A N 7.532 130.177 122.820 -0.292 0.000 2.285 551 A HA 0.422 4.742 4.320 -0.000 0.000 0.310 551 A C -0.147 177.349 177.584 -0.147 0.000 1.266 551 A CA -0.886 51.070 52.037 -0.135 0.000 0.832 551 A CB 0.577 19.539 19.000 -0.063 0.000 1.163 551 A HN 0.636 nan 8.150 nan 0.000 0.499 552 R N 1.854 122.301 120.500 -0.089 0.000 2.407 552 R HA 0.308 4.648 4.340 -0.000 0.000 0.303 552 R C 0.124 176.443 176.300 0.031 0.000 0.981 552 R CA -0.532 55.553 56.100 -0.025 0.000 0.905 552 R CB 1.366 31.727 30.300 0.102 0.000 1.099 552 R HN 0.781 nan 8.270 nan 0.000 0.459 553 E N 1.457 121.646 120.200 -0.018 0.000 2.158 553 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 553 E C 0.640 177.140 176.600 -0.167 0.000 0.982 553 E CA 1.158 57.510 56.400 -0.079 0.000 0.823 553 E CB 0.286 29.919 29.700 -0.112 0.000 0.766 553 E HN 0.514 nan 8.360 nan 0.000 0.468 554 D N 0.313 120.547 120.400 -0.277 0.000 2.097 554 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 554 D C 0.265 176.055 176.300 -0.850 0.000 0.989 554 D CA 1.013 54.608 54.000 -0.674 0.000 0.827 554 D CB -0.257 39.895 40.800 -1.080 0.000 0.966 554 D HN 0.142 nan 8.370 nan 0.000 0.456 555 F N 0.905 120.853 119.950 -0.004 0.000 2.453 555 F HA 0.316 4.843 4.527 -0.000 0.000 0.358 555 F C 0.618 176.433 175.800 0.025 0.000 1.129 555 F CA -0.988 57.020 58.000 0.014 0.000 1.200 555 F CB 0.859 39.864 39.000 0.008 0.000 1.431 555 F HN -0.264 nan 8.300 nan 0.000 0.503 556 K N 0.322 120.797 120.400 0.125 0.000 2.790 556 K HA 0.164 4.484 4.320 -0.000 0.000 0.229 556 K C -0.285 176.400 176.600 0.141 0.000 1.040 556 K CA 0.205 56.563 56.287 0.118 0.000 1.211 556 K CB 0.019 32.563 32.500 0.074 0.000 1.002 556 K HN 0.356 nan 8.250 nan 0.000 0.479 557 E N 1.371 121.680 120.200 0.181 0.000 2.221 557 E HA 0.273 4.623 4.350 -0.000 0.000 0.268 557 E C -0.527 176.179 176.600 0.178 0.000 0.933 557 E CA -0.759 55.743 56.400 0.171 0.000 0.809 557 E CB 1.728 31.536 29.700 0.180 0.000 1.190 557 E HN -0.029 nan 8.360 nan 0.000 0.406 558 R N 2.043 122.644 120.500 0.168 0.000 2.755 558 R HA 0.230 4.570 4.340 -0.000 0.000 0.268 558 R C -0.864 175.546 176.300 0.184 0.000 1.295 558 R CA -0.434 55.776 56.100 0.183 0.000 1.379 558 R CB -0.261 30.143 30.300 0.174 0.000 1.170 558 R HN 0.184 nan 8.270 nan 0.000 0.584 559 V N 5.198 125.239 119.914 0.211 0.000 2.377 559 V HA -0.006 4.114 4.120 -0.000 0.000 0.254 559 V C 0.673 176.887 176.094 0.201 0.000 1.060 559 V CA 0.352 62.778 62.300 0.211 0.000 1.068 559 V CB 0.121 32.117 31.823 0.288 0.000 1.113 559 V HN 0.458 nan 8.190 nan 0.000 0.484 560 D N 3.353 123.834 120.400 0.133 0.000 2.564 560 D HA 0.264 4.904 4.640 -0.000 0.000 0.273 560 D C 1.060 177.250 176.300 -0.183 0.000 1.192 560 D CA -0.567 53.469 54.000 0.059 0.000 1.080 560 D CB 1.005 41.939 40.800 0.223 0.000 1.160 560 D HN 0.462 nan 8.370 nan 0.000 0.607 561 E N -0.754 119.196 120.200 -0.417 0.000 2.152 561 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 561 E C 0.019 176.277 176.600 -0.570 0.000 0.983 561 E CA 1.235 57.220 56.400 -0.691 0.000 0.818 561 E CB -0.091 29.198 29.700 -0.684 0.000 0.758 561 E HN 0.387 nan 8.360 nan 0.000 0.467 562 Y N -0.799 119.334 120.300 -0.278 0.000 2.773 562 Y HA 0.360 4.910 4.550 -0.000 0.000 0.323 562 Y C -0.613 175.087 175.900 -0.333 0.000 1.183 562 Y CA -1.498 56.359 58.100 -0.405 0.000 1.144 562 Y CB 1.256 39.260 38.460 -0.760 0.000 1.340 562 Y HN -0.282 nan 8.280 nan 0.000 0.531 563 D N -0.430 119.907 120.400 -0.105 0.000 2.485 563 D HA 0.195 4.835 4.640 -0.000 0.000 0.229 563 D C -0.560 175.674 176.300 -0.110 0.000 1.101 563 D CA -0.106 53.866 54.000 -0.048 0.000 0.906 563 D CB -0.097 40.693 40.800 -0.016 0.000 1.019 563 D HN 0.399 nan 8.370 nan 0.000 0.516 564 Y N 1.365 121.651 120.300 -0.023 0.000 2.680 564 Y HA -0.109 4.441 4.550 0.000 0.000 0.303 564 Y C 2.446 178.296 175.900 -0.083 0.000 1.166 564 Y CA 0.573 58.621 58.100 -0.087 0.000 1.344 564 Y CB -0.119 38.240 38.460 -0.169 0.000 1.002 564 Y HN 0.403 nan 8.280 nan 0.000 0.537 565 S N 0.213 115.951 115.700 0.063 0.000 2.329 565 S HA -0.112 4.358 4.470 -0.000 0.000 0.215 565 S C 1.087 175.691 174.600 0.005 0.000 1.031 565 S CA 0.286 58.506 58.200 0.034 0.000 0.985 565 S CB -0.456 62.764 63.200 0.033 0.000 0.917 565 S HN 0.415 nan 8.310 nan 0.000 0.441 566 K N 2.001 122.393 120.400 -0.014 0.000 2.273 566 K HA 0.503 4.823 4.320 -0.000 0.000 0.240 566 K C -2.821 173.744 176.600 -0.060 0.000 1.056 566 K CA -1.901 54.368 56.287 -0.031 0.000 0.910 566 K CB -0.948 31.534 32.500 -0.030 0.000 1.196 566 K HN 0.052 nan 8.250 nan 0.000 0.509 567 P HA 0.073 nan 4.420 nan 0.000 0.275 567 P C -1.000 176.202 177.300 -0.164 0.000 1.270 567 P CA -0.314 62.728 63.100 -0.096 0.000 0.791 567 P CB 0.308 31.963 31.700 -0.075 0.000 1.089 568 I N -0.051 120.393 120.570 -0.209 0.000 2.500 568 I HA 0.402 4.572 4.170 -0.000 0.000 0.286 568 I C -0.085 175.866 176.117 -0.277 0.000 1.063 568 I CA 0.237 61.326 61.300 -0.351 0.000 1.062 568 I CB 1.139 38.805 38.000 -0.556 0.000 1.223 568 I HN 0.559 nan 8.210 nan 0.000 0.435 569 Q N 4.503 124.164 119.800 -0.232 0.000 6.121 569 Q HA 0.052 4.392 4.340 -0.000 0.000 0.304 569 Q C 1.068 177.019 176.000 -0.082 0.000 0.845 569 Q CA 0.636 56.353 55.803 -0.143 0.000 0.709 569 Q CB -0.763 27.913 28.738 -0.103 0.000 0.706 569 Q HN 0.742 nan 8.270 nan 0.000 0.705 570 G N 1.357 110.117 108.800 -0.067 0.000 2.572 570 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.216 570 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.216 570 G C 0.476 175.364 174.900 -0.019 0.000 1.133 570 G CA 0.579 45.658 45.100 -0.035 0.000 0.791 570 G HN 0.364 nan 8.290 nan 0.000 0.538 571 Q N 0.058 119.839 119.800 -0.032 0.000 2.354 571 Q HA 0.331 4.671 4.340 -0.000 0.000 0.244 571 Q C -0.150 175.913 176.000 0.106 0.000 0.969 571 Q CA -0.424 55.389 55.803 0.017 0.000 0.885 571 Q CB 0.542 29.272 28.738 -0.013 0.000 1.241 571 Q HN 0.326 nan 8.270 nan 0.000 0.461 572 Q N 2.310 122.178 119.800 0.113 0.000 2.245 572 Q HA 0.239 4.579 4.340 -0.000 0.000 0.256 572 Q C -1.296 174.727 176.000 0.039 0.000 0.942 572 Q CA -0.618 55.248 55.803 0.105 0.000 0.896 572 Q CB 1.397 30.155 28.738 0.032 0.000 1.272 572 Q HN 0.527 nan 8.270 nan 0.000 0.442 573 K N 3.396 123.751 120.400 -0.075 0.000 2.349 573 K HA 0.144 4.464 4.320 -0.000 0.000 0.288 573 K C -0.742 175.692 176.600 -0.277 0.000 1.058 573 K CA -0.154 55.821 56.287 -0.520 0.000 0.953 573 K CB 0.564 32.776 32.500 -0.481 0.000 0.997 573 K HN 0.435 nan 8.250 nan 0.000 0.477 574 K N 4.815 125.045 120.400 -0.284 0.000 2.295 574 K HA 0.130 4.450 4.320 -0.000 0.000 0.270 574 K C -2.318 174.265 176.600 -0.028 0.000 1.011 574 K CA -1.584 54.635 56.287 -0.114 0.000 0.953 574 K CB 0.244 32.698 32.500 -0.076 0.000 0.956 574 K HN 0.422 nan 8.250 nan 0.000 0.477 575 P HA -0.084 nan 4.420 nan 0.000 0.269 575 P C 0.084 177.396 177.300 0.020 0.000 1.209 575 P CA -0.100 63.009 63.100 0.016 0.000 0.776 575 P CB 0.332 32.018 31.700 -0.022 0.000 0.876 576 F N 2.477 122.379 119.950 -0.080 0.000 2.087 576 F HA -0.278 4.249 4.527 -0.000 0.000 0.299 576 F C 1.783 177.255 175.800 -0.547 0.000 1.100 576 F CA 1.668 59.519 58.000 -0.247 0.000 1.226 576 F CB -0.285 38.645 39.000 -0.116 0.000 0.983 576 F HN 0.366 nan 8.300 nan 0.000 0.479 577 Q N -0.219 119.371 119.800 -0.351 0.000 2.431 577 Q HA -0.095 4.245 4.340 -0.000 0.000 0.210 577 Q C 1.198 176.852 176.000 -0.577 0.000 0.958 577 Q CA 0.961 56.457 55.803 -0.511 0.000 0.957 577 Q CB -0.242 28.388 28.738 -0.181 0.000 1.007 577 Q HN 0.624 nan 8.270 nan 0.000 0.511 578 E N 0.979 120.861 120.200 -0.529 0.000 2.490 578 E HA 0.002 4.352 4.350 -0.000 0.000 0.209 578 E C 0.186 176.531 176.600 -0.425 0.000 0.971 578 E CA -0.153 56.015 56.400 -0.388 0.000 0.988 578 E CB 0.511 30.101 29.700 -0.184 0.000 1.029 578 E HN 0.539 nan 8.360 nan 0.000 0.496 579 H N -3.469 115.259 119.070 -0.570 0.000 2.812 579 H HA 0.184 4.740 4.556 -0.000 0.000 0.355 579 H C -0.668 174.217 175.328 -0.737 0.000 1.207 579 H CA -1.055 54.704 56.048 -0.482 0.000 1.217 579 H CB 0.267 29.870 29.762 -0.266 0.000 1.874 579 H HN 0.049 nan 8.280 nan 0.000 0.581 580 W N 0.105 121.374 121.300 -0.053 0.000 2.991 580 W HA 0.327 4.987 4.660 0.000 0.000 0.391 580 W C 1.000 177.535 176.519 0.026 0.000 1.054 580 W CA -0.573 56.691 57.345 -0.134 0.000 1.856 580 W CB 0.714 30.117 29.460 -0.094 0.000 1.132 580 W HN 0.361 nan 8.180 nan 0.000 0.601 581 R N 3.363 124.103 120.500 0.400 0.000 3.710 581 R HA 0.104 4.444 4.340 -0.000 0.000 0.201 581 R C -0.168 176.245 176.300 0.189 0.000 1.641 581 R CA 0.366 56.628 56.100 0.271 0.000 1.390 581 R CB -0.853 29.557 30.300 0.184 0.000 1.341 581 R HN 0.040 nan 8.270 nan 0.000 0.728 582 K N 0.342 120.804 120.400 0.103 0.000 2.568 582 K HA 0.256 4.576 4.320 -0.000 0.000 0.273 582 K C -1.260 175.423 176.600 0.138 0.000 0.951 582 K CA -1.062 55.274 56.287 0.081 0.000 0.854 582 K CB 0.993 33.507 32.500 0.023 0.000 1.424 582 K HN 0.113 nan 8.250 nan 0.000 0.427 583 H N 0.908 120.143 119.070 0.274 0.000 2.652 583 H HA 0.162 4.718 4.556 -0.000 0.000 0.349 583 H C -0.258 175.253 175.328 0.305 0.000 1.099 583 H CA 0.031 56.208 56.048 0.215 0.000 1.417 583 H CB 1.323 31.137 29.762 0.088 0.000 1.457 583 H HN 0.495 nan 8.280 nan 0.000 0.568 584 T N 4.406 119.201 114.554 0.400 0.000 2.817 584 T HA 0.333 4.683 4.350 -0.000 0.000 0.293 584 T C 0.686 175.368 174.700 -0.029 0.000 0.964 584 T CA -0.548 61.661 62.100 0.182 0.000 1.085 584 T CB 0.278 69.298 68.868 0.253 0.000 0.921 584 T HN 0.220 nan 8.240 nan 0.000 0.502 585 L N 3.669 124.755 121.223 -0.228 0.000 2.313 585 L HA 0.560 4.900 4.340 -0.000 0.000 0.283 585 L C 0.298 177.039 176.870 -0.216 0.000 1.013 585 L CA -0.685 54.021 54.840 -0.223 0.000 0.816 585 L CB 1.606 43.545 42.059 -0.200 0.000 1.236 585 L HN 0.701 nan 8.230 nan 0.000 0.419 586 S N 1.469 116.999 115.700 -0.283 0.000 2.536 586 S HA 0.821 5.291 4.470 -0.000 0.000 0.298 586 S C -1.100 173.297 174.600 -0.339 0.000 1.083 586 S CA -0.715 57.384 58.200 -0.169 0.000 0.995 586 S CB 1.844 64.989 63.200 -0.092 0.000 1.058 586 S HN 0.360 nan 8.310 nan 0.000 0.488 587 Y N -0.382 119.856 120.300 -0.103 0.000 2.698 587 Y HA 0.843 5.393 4.550 0.000 0.000 0.332 587 Y C -0.238 175.580 175.900 -0.137 0.000 1.119 587 Y CA -1.090 56.948 58.100 -0.102 0.000 1.109 587 Y CB 1.824 40.234 38.460 -0.084 0.000 1.308 587 Y HN 0.868 nan 8.280 nan 0.000 0.499 588 V N 0.422 120.366 119.914 0.049 0.000 2.966 588 V HA 0.291 4.411 4.120 -0.000 0.000 0.288 588 V C -1.829 174.220 176.094 -0.075 0.000 1.380 588 V CA -0.779 61.469 62.300 -0.085 0.000 0.966 588 V CB 1.899 33.617 31.823 -0.175 0.000 1.115 588 V HN 0.875 nan 8.190 nan 0.000 0.436 589 D N 4.869 125.202 120.400 -0.111 0.000 2.344 589 D HA 0.164 4.804 4.640 -0.000 0.000 0.253 589 D C 1.311 177.564 176.300 -0.078 0.000 1.255 589 D CA 0.328 54.281 54.000 -0.079 0.000 0.894 589 D CB 1.823 42.574 40.800 -0.082 0.000 1.067 589 D HN 0.537 nan 8.370 nan 0.000 0.492 590 V N 4.979 124.882 119.914 -0.019 0.000 2.370 590 V HA -0.270 3.850 4.120 -0.000 0.000 0.252 590 V C 2.512 178.673 176.094 0.111 0.000 1.068 590 V CA 1.797 64.128 62.300 0.052 0.000 1.061 590 V CB -0.518 31.335 31.823 0.049 0.000 0.656 590 V HN 0.566 nan 8.190 nan 0.000 0.455 591 K N -0.151 120.280 120.400 0.052 0.000 2.228 591 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 591 K C 2.097 178.746 176.600 0.082 0.000 1.051 591 K CA 1.575 57.902 56.287 0.067 0.000 0.960 591 K CB 0.036 32.551 32.500 0.024 0.000 0.743 591 K HN 0.706 nan 8.250 nan 0.000 0.458 592 T N -4.872 109.686 114.554 0.007 0.000 2.959 592 T HA 0.203 4.553 4.350 -0.000 0.000 0.254 592 T C 1.093 175.687 174.700 -0.177 0.000 1.003 592 T CA 0.512 62.597 62.100 -0.026 0.000 0.950 592 T CB 0.826 69.664 68.868 -0.049 0.000 1.090 592 T HN 0.229 nan 8.240 nan 0.000 0.503 593 G N 1.865 110.419 108.800 -0.410 0.000 2.137 593 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.237 593 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.237 593 G C -0.139 174.458 174.900 -0.505 0.000 1.002 593 G CA 0.256 44.845 45.100 -0.852 0.000 0.702 593 G HN 0.842 nan 8.290 nan 0.000 0.515 594 K N 0.706 120.914 120.400 -0.320 0.000 2.312 594 K HA 0.495 4.815 4.320 -0.000 0.000 0.287 594 K C 0.372 176.800 176.600 -0.287 0.000 1.062 594 K CA -0.542 55.586 56.287 -0.264 0.000 0.934 594 K CB 0.695 33.105 32.500 -0.151 0.000 1.027 594 K HN 0.019 nan 8.250 nan 0.000 0.478 595 V N 4.502 124.169 119.914 -0.412 0.000 2.406 595 V HA 0.162 4.282 4.120 -0.000 0.000 0.272 595 V C -0.125 175.875 176.094 -0.157 0.000 1.043 595 V CA -0.453 61.631 62.300 -0.360 0.000 0.915 595 V CB 0.987 32.392 31.823 -0.695 0.000 0.988 595 V HN 0.917 nan 8.190 nan 0.000 0.466 596 S N 6.623 122.293 115.700 -0.049 0.000 2.513 596 S HA 0.923 5.393 4.470 -0.000 0.000 0.299 596 S C -0.821 173.835 174.600 0.093 0.000 1.087 596 S CA -0.821 57.380 58.200 0.002 0.000 1.012 596 S CB 1.946 65.110 63.200 -0.060 0.000 1.044 596 S HN 0.745 nan 8.310 nan 0.000 0.485 597 L N -0.692 120.576 121.223 0.076 0.000 2.415 597 L HA 0.843 5.183 4.340 -0.000 0.000 0.256 597 L C -0.909 175.924 176.870 -0.062 0.000 1.010 597 L CA -1.073 53.793 54.840 0.043 0.000 0.826 597 L CB 1.931 43.978 42.059 -0.021 0.000 1.405 597 L HN 0.808 nan 8.230 nan 0.000 0.410 598 E N 0.115 120.183 120.200 -0.220 0.000 2.415 598 E HA 0.633 4.983 4.350 -0.000 0.000 0.255 598 E C -1.837 174.318 176.600 -0.742 0.000 0.936 598 E CA -0.910 55.340 56.400 -0.249 0.000 0.876 598 E CB 1.976 31.716 29.700 0.066 0.000 1.696 598 E HN 0.552 nan 8.360 nan 0.000 0.435 599 Y N -0.563 119.826 120.300 0.148 0.000 2.597 599 Y HA 0.496 5.046 4.550 -0.000 0.000 0.340 599 Y C -0.512 175.459 175.900 0.118 0.000 1.097 599 Y CA -1.141 57.059 58.100 0.166 0.000 1.037 599 Y CB 2.124 40.708 38.460 0.206 0.000 1.305 599 Y HN 0.520 nan 8.280 nan 0.000 0.463 600 R N 0.212 120.868 120.500 0.262 0.000 2.740 600 R HA 0.755 5.095 4.340 -0.000 0.000 0.273 600 R C -3.493 172.998 176.300 0.318 0.000 0.998 600 R CA -2.170 53.988 56.100 0.096 0.000 0.900 600 R CB 2.195 32.336 30.300 -0.264 0.000 1.223 600 R HN 0.220 nan 8.270 nan 0.000 0.466 601 P HA -0.045 nan 4.420 nan 0.000 0.271 601 P C -0.429 177.007 177.300 0.227 0.000 1.233 601 P CA -0.577 62.695 63.100 0.287 0.000 0.789 601 P CB 0.603 32.398 31.700 0.158 0.000 0.951 602 V N 0.682 120.678 119.914 0.136 0.000 2.617 602 V HA 0.458 4.578 4.120 -0.000 0.000 0.298 602 V C -0.272 175.928 176.094 0.177 0.000 1.048 602 V CA -0.702 61.658 62.300 0.100 0.000 0.964 602 V CB 0.673 32.448 31.823 -0.081 0.000 1.004 602 V HN 0.252 nan 8.190 nan 0.000 0.466 603 I N 4.268 124.961 120.570 0.206 0.000 2.371 603 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 603 I C 0.408 176.634 176.117 0.182 0.000 1.028 603 I CA -0.044 61.365 61.300 0.181 0.000 1.345 603 I CB 0.990 39.096 38.000 0.178 0.000 1.407 603 I HN 0.691 nan 8.210 nan 0.000 0.501 604 D N 4.228 124.734 120.400 0.176 0.000 2.388 604 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 604 D C 0.596 177.015 176.300 0.200 0.000 1.035 604 D CA 0.440 54.556 54.000 0.193 0.000 0.875 604 D CB 0.397 41.305 40.800 0.180 0.000 0.984 604 D HN 0.527 nan 8.370 nan 0.000 0.508 605 K N 1.155 121.658 120.400 0.171 0.000 2.237 605 K HA 0.297 4.617 4.320 -0.000 0.000 0.270 605 K C 0.543 177.251 176.600 0.180 0.000 1.015 605 K CA -0.316 56.066 56.287 0.159 0.000 0.949 605 K CB 0.928 33.503 32.500 0.125 0.000 0.976 605 K HN -0.126 nan 8.250 nan 0.000 0.472 606 T N -0.727 113.936 114.554 0.183 0.000 2.888 606 T HA 0.211 4.561 4.350 -0.000 0.000 0.283 606 T C 1.282 176.092 174.700 0.183 0.000 1.013 606 T CA -0.939 61.301 62.100 0.234 0.000 0.938 606 T CB 0.325 69.296 68.868 0.172 0.000 1.298 606 T HN 0.576 nan 8.240 nan 0.000 0.580 607 L N 0.236 121.598 121.223 0.232 0.000 2.395 607 L HA 0.247 4.587 4.340 -0.000 0.000 0.218 607 L C 0.767 177.680 176.870 0.072 0.000 1.130 607 L CA 0.626 55.436 54.840 -0.049 0.000 0.826 607 L CB -0.370 41.413 42.059 -0.461 0.000 0.941 607 L HN 0.687 nan 8.230 nan 0.000 0.451 608 N N -0.774 118.052 118.700 0.210 0.000 2.976 608 N HA -0.007 4.733 4.740 -0.000 0.000 0.249 608 N C 0.261 175.830 175.510 0.097 0.000 1.258 608 N CA -0.135 53.001 53.050 0.143 0.000 0.864 608 N CB 0.945 39.523 38.487 0.152 0.000 1.551 608 N HN -0.141 nan 8.380 nan 0.000 0.607 609 E N 3.091 123.329 120.200 0.063 0.000 2.130 609 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 609 E C 1.473 178.080 176.600 0.012 0.000 0.998 609 E CA 2.151 58.571 56.400 0.033 0.000 0.806 609 E CB -0.034 29.690 29.700 0.039 0.000 0.738 609 E HN 0.654 nan 8.360 nan 0.000 0.459 610 A N -0.066 122.769 122.820 0.026 0.000 1.969 610 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 610 A C 2.018 179.608 177.584 0.010 0.000 1.169 610 A CA 1.866 53.913 52.037 0.017 0.000 0.635 610 A CB -0.489 18.527 19.000 0.028 0.000 0.810 610 A HN 0.339 nan 8.150 nan 0.000 0.445 611 D N -2.463 117.957 120.400 0.032 0.000 2.301 611 D HA 0.049 4.689 4.640 -0.000 0.000 0.206 611 D C -0.020 176.224 176.300 -0.093 0.000 0.979 611 D CA 0.790 54.817 54.000 0.045 0.000 0.874 611 D CB 0.349 41.258 40.800 0.182 0.000 0.968 611 D HN 0.271 nan 8.370 nan 0.000 0.510 612 C N 1.125 120.305 119.300 -0.200 0.000 2.789 612 C HA 0.785 5.245 4.460 -0.000 0.000 0.367 612 C C -0.375 174.430 174.990 -0.308 0.000 1.062 612 C CA -0.746 57.992 59.018 -0.467 0.000 1.297 612 C CB -0.436 26.663 27.740 -1.068 0.000 1.794 612 C HN 0.309 nan 8.230 nan 0.000 0.474 613 A N 4.801 127.542 122.820 -0.131 0.000 2.407 613 A HA 0.564 4.885 4.320 -0.000 0.000 0.248 613 A C 0.690 178.361 177.584 0.145 0.000 1.082 613 A CA 0.402 52.440 52.037 0.000 0.000 0.785 613 A CB 0.214 19.211 19.000 -0.005 0.000 1.020 613 A HN 0.914 nan 8.150 nan 0.000 0.489 614 T N 1.292 115.947 114.554 0.168 0.000 2.926 614 T HA 0.355 4.705 4.350 -0.000 0.000 0.307 614 T C 0.062 174.930 174.700 0.279 0.000 1.059 614 T CA 0.093 62.356 62.100 0.271 0.000 1.122 614 T CB 0.457 69.444 68.868 0.199 0.000 0.972 614 T HN 0.426 nan 8.240 nan 0.000 0.545 615 V N 6.699 126.820 119.914 0.345 0.000 2.334 615 V HA 0.293 4.413 4.120 -0.000 0.000 0.281 615 V C -2.132 174.170 176.094 0.346 0.000 1.016 615 V CA -2.012 60.493 62.300 0.342 0.000 0.832 615 V CB 0.986 33.033 31.823 0.374 0.000 0.999 615 V HN 0.714 nan 8.190 nan 0.000 0.439 616 P HA 0.245 nan 4.420 nan 0.000 0.272 616 P C -2.652 174.193 177.300 -0.758 0.000 1.223 616 P CA -1.363 61.630 63.100 -0.179 0.000 0.784 616 P CB -0.064 31.571 31.700 -0.110 0.000 0.923 617 P HA 0.164 nan 4.420 nan 0.000 0.265 617 P C -0.695 175.602 177.300 -1.672 0.000 1.193 617 P CA 0.734 62.327 63.100 -2.513 0.000 0.765 617 P CB 0.351 30.881 31.700 -1.951 0.000 0.823 618 A N 3.384 125.213 122.820 -1.652 0.000 2.539 618 A HA 0.677 4.997 4.320 -0.000 0.000 0.272 618 A C -0.594 176.792 177.584 -0.331 0.000 1.286 618 A CA -0.810 50.862 52.037 -0.608 0.000 0.792 618 A CB 0.552 19.392 19.000 -0.267 0.000 1.355 618 A HN 0.417 nan 8.150 nan 0.000 0.472 619 I N 0.747 121.274 120.570 -0.071 0.000 2.474 619 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 619 I C 0.574 176.762 176.117 0.119 0.000 1.048 619 I CA -0.343 60.977 61.300 0.034 0.000 1.383 619 I CB 0.972 38.997 38.000 0.042 0.000 1.412 619 I HN 0.595 nan 8.210 nan 0.000 0.531 620 R N 5.300 125.901 120.500 0.168 0.000 2.296 620 R HA 0.343 4.683 4.340 -0.000 0.000 0.323 620 R C -0.933 175.452 176.300 0.142 0.000 1.067 620 R CA 0.070 56.293 56.100 0.206 0.000 0.946 620 R CB 0.234 30.679 30.300 0.242 0.000 0.991 620 R HN 0.768 nan 8.270 nan 0.000 0.448 621 S N 2.813 118.546 115.700 0.056 0.000 2.578 621 S HA 0.443 4.913 4.470 -0.000 0.000 0.285 621 S C -1.489 173.024 174.600 -0.145 0.000 1.126 621 S CA -0.972 57.261 58.200 0.055 0.000 0.878 621 S CB 0.495 63.722 63.200 0.046 0.000 1.091 621 S HN 0.399 nan 8.310 nan 0.000 0.450 622 Y N 0.000 120.332 120.300 0.054 0.000 2.660 622 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 622 Y CA 0.000 58.122 58.100 0.037 0.000 1.940 622 Y CB 0.000 38.469 38.460 0.015 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758