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 3ae3_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 0.000 174.748 174.600 0.246 0.000 1.055 10 S CA 0.000 58.336 58.200 0.226 0.000 1.107 10 S CB 0.000 63.251 63.200 0.085 0.000 0.593 11 T N 1.207 115.850 114.554 0.148 0.000 3.169 11 T HA 0.275 0.910 4.350 -6.192 0.000 0.250 11 T C 0.965 175.701 174.700 0.060 0.000 1.111 11 T CA 0.722 62.876 62.100 0.090 0.000 1.010 11 T CB -0.195 68.698 68.868 0.042 0.000 0.984 11 T HN 0.451 nan 8.240 nan 0.000 0.537 12 Q N -0.141 119.691 119.800 0.054 0.000 2.247 12 Q HA 0.175 0.800 4.340 -6.192 0.000 0.204 12 Q C -1.080 174.748 176.000 -0.287 0.000 0.872 12 Q CA -0.156 55.563 55.803 -0.140 0.000 0.951 12 Q CB 0.380 28.977 28.738 -0.236 0.000 1.099 12 Q HN 0.559 nan 8.270 nan 0.000 0.501 13 Y N 0.878 121.186 120.300 0.014 0.000 2.328 13 Y HA 0.386 1.221 4.550 -6.191 0.000 0.337 13 Y C -2.036 173.857 175.900 -0.012 0.000 0.966 13 Y CA -2.791 55.312 58.100 0.004 0.000 1.136 13 Y CB 1.152 39.614 38.460 0.003 0.000 1.170 13 Y HN 0.104 nan 8.280 nan 0.000 0.470 14 P HA 0.128 nan 4.420 nan 0.000 0.271 14 P C -1.106 176.198 177.300 0.006 0.000 1.233 14 P CA -0.242 62.879 63.100 0.036 0.000 0.764 14 P CB 0.471 32.181 31.700 0.016 0.000 0.825 15 V N 2.168 122.079 119.914 -0.006 0.000 2.357 15 V HA 0.510 0.915 4.120 -6.192 0.000 0.284 15 V C -0.249 175.815 176.094 -0.051 0.000 1.018 15 V CA -0.840 61.438 62.300 -0.037 0.000 0.841 15 V CB 1.756 33.580 31.823 0.001 0.000 0.991 15 V HN 0.164 nan 8.190 nan 0.000 0.437 16 V N 3.799 123.655 119.914 -0.096 0.000 2.334 16 V HA 0.411 0.815 4.120 -6.192 0.000 0.281 16 V C -0.449 175.614 176.094 -0.053 0.000 1.016 16 V CA -0.270 61.997 62.300 -0.054 0.000 0.832 16 V CB 1.236 33.078 31.823 0.033 0.000 0.999 16 V HN 0.948 nan 8.190 nan 0.000 0.439 17 D N 3.393 123.742 120.400 -0.085 0.000 2.308 17 D HA 0.379 1.304 4.640 -6.192 0.000 0.251 17 D C -0.111 176.099 176.300 -0.151 0.000 1.127 17 D CA 0.102 54.076 54.000 -0.042 0.000 0.876 17 D CB 0.474 41.273 40.800 -0.003 0.000 1.176 17 D HN 0.519 nan 8.370 nan 0.000 0.446 18 H N 1.282 120.459 119.070 0.179 0.000 2.524 18 H HA 0.373 1.214 4.556 -6.192 0.000 0.353 18 H C -0.611 174.821 175.328 0.174 0.000 1.136 18 H CA -0.544 55.639 56.048 0.225 0.000 1.193 18 H CB 1.789 31.814 29.762 0.439 0.000 1.558 18 H HN 0.423 nan 8.280 nan 0.000 0.515 19 E N 2.654 122.934 120.200 0.133 0.000 2.155 19 E HA 0.381 1.016 4.350 -6.192 0.000 0.264 19 E C -1.389 175.113 176.600 -0.162 0.000 0.886 19 E CA -0.354 56.071 56.400 0.040 0.000 0.752 19 E CB 0.892 30.582 29.700 -0.018 0.000 1.133 19 E HN 0.288 nan 8.360 nan 0.000 0.414 20 F N 1.478 121.469 119.950 0.070 0.000 2.640 20 F HA 0.282 1.094 4.527 -6.192 0.000 0.324 20 F C 0.940 176.774 175.800 0.058 0.000 1.077 20 F CA -0.697 57.339 58.000 0.060 0.000 0.965 20 F CB 1.667 40.690 39.000 0.040 0.000 1.351 20 F HN 0.404 nan 8.300 nan 0.000 0.487 21 D N 0.352 120.935 120.400 0.305 0.000 2.201 21 D HA 0.252 1.176 4.640 -6.192 0.000 0.209 21 D C 0.058 176.458 176.300 0.166 0.000 0.961 21 D CA 0.996 55.146 54.000 0.251 0.000 0.861 21 D CB 0.308 41.326 40.800 0.363 0.000 0.997 21 D HN 0.404 nan 8.370 nan 0.000 0.486 22 A N -0.143 122.751 122.820 0.123 0.000 2.539 22 A HA 0.628 1.232 4.320 -6.192 0.000 0.296 22 A C -1.263 176.259 177.584 -0.103 0.000 1.073 22 A CA -0.512 51.499 52.037 -0.043 0.000 0.700 22 A CB 2.022 20.918 19.000 -0.172 0.000 1.296 22 A HN -0.109 nan 8.150 nan 0.000 0.405 23 V N 1.425 121.248 119.914 -0.150 0.000 2.577 23 V HA 0.495 0.900 4.120 -6.192 0.000 0.303 23 V C -0.756 175.220 176.094 -0.197 0.000 1.042 23 V CA -0.525 61.640 62.300 -0.225 0.000 0.872 23 V CB 1.763 33.454 31.823 -0.219 0.000 0.998 23 V HN 0.701 nan 8.190 nan 0.000 0.423 24 V N 5.487 125.267 119.914 -0.223 0.000 2.334 24 V HA 0.353 0.757 4.120 -6.192 0.000 0.281 24 V C -0.059 175.939 176.094 -0.160 0.000 1.016 24 V CA -0.644 61.551 62.300 -0.175 0.000 0.832 24 V CB 1.705 33.423 31.823 -0.174 0.000 0.999 24 V HN 0.612 nan 8.190 nan 0.000 0.439 25 V N 4.640 124.475 119.914 -0.131 0.000 2.372 25 V HA 0.805 1.210 4.120 -6.192 0.000 0.261 25 V C 0.776 176.815 176.094 -0.091 0.000 1.055 25 V CA 0.511 62.738 62.300 -0.122 0.000 0.930 25 V CB 0.326 32.076 31.823 -0.122 0.000 1.031 25 V HN 1.218 nan 8.190 nan 0.000 0.479 26 G N 3.968 112.723 108.800 -0.075 0.000 2.801 26 G HA2 0.399 0.644 3.960 -6.192 0.000 0.648 26 G HA3 0.399 0.644 3.960 -6.192 0.000 0.648 26 G C -0.376 174.520 174.900 -0.006 0.000 1.415 26 G CA -0.267 44.807 45.100 -0.043 0.000 0.887 26 G HN 1.250 nan 8.290 nan 0.000 0.627 27 A N 1.237 124.066 122.820 0.015 0.000 2.749 27 A HA 0.794 1.399 4.320 -6.192 0.000 0.299 27 A C 1.330 178.929 177.584 0.026 0.000 1.105 27 A CA 1.106 53.174 52.037 0.051 0.000 0.987 27 A CB -0.162 18.873 19.000 0.058 0.000 1.180 27 A HN 2.058 nan 8.150 nan 0.000 0.528 28 G N -0.377 108.442 108.800 0.032 0.000 2.514 28 G HA2 0.385 0.629 3.960 -6.192 0.000 0.245 28 G HA3 0.385 0.629 3.960 -6.192 0.000 0.245 28 G C 1.146 176.085 174.900 0.064 0.000 1.488 28 G CA 0.286 45.411 45.100 0.042 0.000 1.063 28 G HN 0.528 nan 8.290 nan 0.000 0.557 29 G N -0.228 108.620 108.800 0.080 0.000 2.414 29 G HA2 0.108 0.352 3.960 -6.192 0.000 0.215 29 G HA3 0.108 0.352 3.960 -6.192 0.000 0.215 29 G C 2.047 177.010 174.900 0.104 0.000 1.188 29 G CA 1.858 47.020 45.100 0.104 0.000 0.783 29 G HN 0.891 nan 8.290 nan 0.000 0.537 30 A N 0.956 123.832 122.820 0.092 0.000 1.883 30 A HA 0.093 0.698 4.320 -6.192 0.000 0.217 30 A C 2.722 180.327 177.584 0.035 0.000 1.186 30 A CA 2.308 54.391 52.037 0.077 0.000 0.624 30 A CB -1.241 17.813 19.000 0.089 0.000 0.822 30 A HN 0.586 nan 8.150 nan 0.000 0.444 31 G N -0.512 108.308 108.800 0.033 0.000 2.440 31 G HA2 -0.125 0.120 3.960 -6.192 0.000 0.218 31 G HA3 -0.125 0.120 3.960 -6.192 0.000 0.218 31 G C 1.414 176.328 174.900 0.022 0.000 1.154 31 G CA 1.255 46.361 45.100 0.009 0.000 0.767 31 G HN 0.342 nan 8.290 nan 0.000 0.552 32 L N 0.324 121.605 121.223 0.097 0.000 2.005 32 L HA 0.086 0.710 4.340 -6.192 0.000 0.207 32 L C 2.796 179.713 176.870 0.079 0.000 1.072 32 L CA 1.548 56.513 54.840 0.208 0.000 0.744 32 L CB -0.890 41.344 42.059 0.292 0.000 0.895 32 L HN 0.148 nan 8.230 nan 0.000 0.433 33 R N -0.029 120.460 120.500 -0.019 0.000 2.105 33 R HA -0.139 0.486 4.340 -6.192 0.000 0.239 33 R C 2.115 178.092 176.300 -0.539 0.000 1.135 33 R CA 1.737 57.615 56.100 -0.370 0.000 0.967 33 R CB -0.786 29.461 30.300 -0.087 0.000 0.861 33 R HN 0.381 nan 8.270 nan 0.000 0.442 34 A N -0.029 122.625 122.820 -0.277 0.000 1.873 34 A HA 0.013 0.617 4.320 -6.192 0.000 0.215 34 A C 2.353 179.753 177.584 -0.306 0.000 1.186 34 A CA 1.727 53.604 52.037 -0.267 0.000 0.616 34 A CB -1.121 17.776 19.000 -0.172 0.000 0.823 34 A HN 0.469 nan 8.150 nan 0.000 0.442 35 A N 0.202 122.883 122.820 -0.231 0.000 1.834 35 A HA -0.047 0.558 4.320 -6.192 0.000 0.216 35 A C 2.026 179.501 177.584 -0.183 0.000 1.203 35 A CA 1.886 53.810 52.037 -0.187 0.000 0.621 35 A CB -1.169 17.764 19.000 -0.112 0.000 0.841 35 A HN 1.138 nan 8.150 nan 0.000 0.446 36 F N 0.330 120.201 119.950 -0.132 0.000 2.407 36 F HA 0.212 1.024 4.527 -6.192 0.000 0.299 36 F C 1.940 177.492 175.800 -0.415 0.000 1.097 36 F CA 0.654 58.495 58.000 -0.264 0.000 1.422 36 F CB -1.092 37.832 39.000 -0.128 0.000 1.067 36 F HN 0.121 nan 8.300 nan 0.000 0.539 37 G N 1.598 109.919 108.800 -0.798 0.000 2.408 37 G HA2 -0.150 0.095 3.960 -6.192 0.000 0.217 37 G HA3 -0.150 0.095 3.960 -6.192 0.000 0.217 37 G C 1.698 176.423 174.900 -0.291 0.000 1.150 37 G CA 1.080 45.863 45.100 -0.528 0.000 0.776 37 G HN 0.469 nan 8.290 nan 0.000 0.542 38 L N 0.448 121.512 121.223 -0.266 0.000 2.044 38 L HA -0.032 0.592 4.340 -6.192 0.000 0.205 38 L C 3.179 180.051 176.870 0.004 0.000 1.075 38 L CA 1.110 55.862 54.840 -0.146 0.000 0.747 38 L CB -0.329 41.598 42.059 -0.220 0.000 0.903 38 L HN 0.151 nan 8.230 nan 0.000 0.435 39 S N -0.726 114.922 115.700 -0.087 0.000 2.400 39 S HA -0.246 0.509 4.470 -6.192 0.000 0.232 39 S C 1.883 176.422 174.600 -0.103 0.000 1.025 39 S CA 1.334 59.507 58.200 -0.045 0.000 0.993 39 S CB -0.199 62.979 63.200 -0.037 0.000 0.808 39 S HN 0.399 nan 8.310 nan 0.000 0.478 40 E N 0.876 120.884 120.200 -0.319 0.000 2.106 40 E HA -0.095 0.540 4.350 -6.192 0.000 0.192 40 E C 1.885 178.484 176.600 -0.001 0.000 0.984 40 E CA 0.897 57.172 56.400 -0.208 0.000 0.806 40 E CB -0.158 29.388 29.700 -0.257 0.000 0.750 40 E HN 0.500 nan 8.360 nan 0.000 0.458 41 A N -0.080 122.762 122.820 0.036 0.000 2.209 41 A HA 0.130 0.735 4.320 -6.192 0.000 0.212 41 A C 1.671 179.276 177.584 0.035 0.000 1.158 41 A CA 1.128 53.233 52.037 0.113 0.000 0.742 41 A CB -0.333 18.831 19.000 0.274 0.000 0.790 41 A HN 0.468 nan 8.150 nan 0.000 0.472 42 G N -2.499 106.314 108.800 0.022 0.000 2.144 42 G HA2 -0.203 0.042 3.960 -6.192 0.000 0.218 42 G HA3 -0.203 0.042 3.960 -6.192 0.000 0.218 42 G C -0.099 174.704 174.900 -0.160 0.000 0.988 42 G CA -0.110 44.943 45.100 -0.078 0.000 0.659 42 G HN 0.292 nan 8.290 nan 0.000 0.522 43 F N 1.320 121.260 119.950 -0.017 0.000 2.396 43 F HA 0.359 1.172 4.527 -6.191 0.000 0.343 43 F C 1.023 176.837 175.800 0.024 0.000 1.104 43 F CA -0.668 57.328 58.000 -0.006 0.000 1.161 43 F CB 0.965 39.945 39.000 -0.034 0.000 1.146 43 F HN 0.088 nan 8.300 nan 0.000 0.522 44 N N 2.547 121.383 118.700 0.226 0.000 2.400 44 N HA 0.051 1.076 4.740 -6.192 0.000 0.267 44 N C -1.144 174.573 175.510 0.344 0.000 1.208 44 N CA 0.007 53.199 53.050 0.237 0.000 0.951 44 N CB 0.321 38.904 38.487 0.159 0.000 1.227 44 N HN 0.573 nan 8.380 nan 0.000 0.488 45 T N 2.042 116.739 114.554 0.237 0.000 2.792 45 T HA 0.494 1.128 4.350 -6.192 0.000 0.280 45 T C -0.169 174.449 174.700 -0.137 0.000 0.990 45 T CA -0.659 61.471 62.100 0.050 0.000 0.960 45 T CB 1.652 70.489 68.868 -0.053 0.000 0.939 45 T HN 0.522 nan 8.240 nan 0.000 0.439 46 A N 1.420 123.943 122.820 -0.495 0.000 2.303 46 A HA 0.655 1.260 4.320 -6.192 0.000 0.317 46 A C 0.012 177.314 177.584 -0.471 0.000 1.149 46 A CA -0.708 50.901 52.037 -0.713 0.000 0.822 46 A CB 0.576 18.747 19.000 -1.382 0.000 1.131 46 A HN 0.969 nan 8.150 nan 0.000 0.493 47 C N 3.387 122.436 119.300 -0.417 0.000 2.356 47 C HA 0.608 1.353 4.460 -6.192 0.000 0.324 47 C C -0.587 174.305 174.990 -0.163 0.000 1.167 47 C CA -0.378 58.428 59.018 -0.354 0.000 1.420 47 C CB -0.777 26.608 27.740 -0.591 0.000 2.036 47 C HN 0.664 nan 8.230 nan 0.000 0.435 48 V N 5.872 125.681 119.914 -0.175 0.000 2.406 48 V HA 0.671 1.076 4.120 -6.192 0.000 0.272 48 V C 0.513 176.580 176.094 -0.046 0.000 1.043 48 V CA 0.168 62.392 62.300 -0.128 0.000 0.915 48 V CB 1.425 33.105 31.823 -0.238 0.000 0.988 48 V HN 0.915 nan 8.190 nan 0.000 0.466 49 T N 3.715 118.294 114.554 0.041 0.000 2.993 49 T HA 0.337 0.972 4.350 -6.192 0.000 0.312 49 T C 0.563 175.310 174.700 0.079 0.000 1.115 49 T CA -0.648 61.474 62.100 0.037 0.000 1.027 49 T CB 1.518 70.419 68.868 0.055 0.000 1.116 49 T HN 0.848 nan 8.240 nan 0.000 0.464 50 K N 3.977 124.382 120.400 0.010 0.000 2.459 50 K HA 0.304 0.909 4.320 -6.192 0.000 0.193 50 K C 0.303 176.961 176.600 0.096 0.000 1.030 50 K CA 0.270 56.580 56.287 0.038 0.000 1.026 50 K CB 0.049 32.515 32.500 -0.057 0.000 0.809 50 K HN 0.440 nan 8.250 nan 0.000 0.504 51 L N 0.353 121.637 121.223 0.100 0.000 2.309 51 L HA 0.434 1.059 4.340 -6.192 0.000 0.261 51 L C -0.443 176.520 176.870 0.154 0.000 1.021 51 L CA -1.584 53.345 54.840 0.149 0.000 0.823 51 L CB 1.007 43.139 42.059 0.120 0.000 1.366 51 L HN -0.128 nan 8.230 nan 0.000 0.423 52 F N 2.539 122.512 119.950 0.039 0.000 2.529 52 F HA 0.178 0.990 4.527 -6.192 0.000 0.365 52 F C -1.496 174.228 175.800 -0.127 0.000 1.102 52 F CA -1.218 56.756 58.000 -0.045 0.000 1.271 52 F CB 0.865 39.824 39.000 -0.069 0.000 1.120 52 F HN 0.284 nan 8.300 nan 0.000 0.579 53 P HA -0.210 nan 4.420 nan 0.000 0.218 53 P C 1.537 178.553 177.300 -0.474 0.000 1.152 53 P CA 2.245 64.978 63.100 -0.611 0.000 0.857 53 P CB -0.019 31.188 31.700 -0.821 0.000 0.787 54 T N -0.728 113.493 114.554 -0.555 0.000 2.833 54 T HA -0.104 0.531 4.350 -6.192 0.000 0.269 54 T C 1.615 176.269 174.700 -0.077 0.000 1.054 54 T CA 1.004 62.907 62.100 -0.328 0.000 1.135 54 T CB -0.362 68.386 68.868 -0.199 0.000 0.869 54 T HN 0.091 nan 8.240 nan 0.000 0.466 55 R N 1.670 122.197 120.500 0.046 0.000 2.235 55 R HA 0.189 0.813 4.340 -6.192 0.000 0.213 55 R C 1.238 177.577 176.300 0.065 0.000 1.059 55 R CA 0.071 56.225 56.100 0.089 0.000 0.997 55 R CB -0.826 29.560 30.300 0.142 0.000 0.884 55 R HN 0.268 nan 8.270 nan 0.000 0.462 56 S N 1.057 116.771 115.700 0.024 0.000 2.550 56 S HA -0.107 0.648 4.470 -6.192 0.000 0.285 56 S C 1.102 175.751 174.600 0.082 0.000 1.326 56 S CA -0.019 58.210 58.200 0.048 0.000 1.037 56 S CB 0.423 63.630 63.200 0.012 0.000 0.838 56 S HN 0.468 nan 8.310 nan 0.000 0.519 57 H N 1.102 120.181 119.070 0.015 0.000 2.563 57 H HA -0.018 0.823 4.556 -6.191 0.000 0.272 57 H C 2.061 177.402 175.328 0.021 0.000 1.005 57 H CA 1.386 57.444 56.048 0.016 0.000 1.171 57 H CB -0.112 29.647 29.762 -0.006 0.000 1.351 57 H HN 0.728 nan 8.280 nan 0.000 0.602 58 T N -3.150 111.458 114.554 0.089 0.000 2.915 58 T HA -0.153 0.482 4.350 -6.192 0.000 0.269 58 T C 2.120 176.815 174.700 -0.009 0.000 1.071 58 T CA 0.938 63.069 62.100 0.053 0.000 1.132 58 T CB -0.922 67.992 68.868 0.077 0.000 0.878 58 T HN 0.220 nan 8.240 nan 0.000 0.479 59 V N 1.806 121.712 119.914 -0.014 0.000 2.380 59 V HA -0.096 0.308 4.120 -6.192 0.000 0.251 59 V C 2.909 179.016 176.094 0.022 0.000 1.063 59 V CA 2.011 64.340 62.300 0.048 0.000 1.055 59 V CB -1.279 30.594 31.823 0.085 0.000 0.657 59 V HN 0.734 nan 8.190 nan 0.000 0.455 60 A N -0.569 122.159 122.820 -0.154 0.000 2.167 60 A HA 0.471 1.076 4.320 -6.192 0.000 0.214 60 A C 1.337 178.852 177.584 -0.114 0.000 1.151 60 A CA 0.759 52.680 52.037 -0.194 0.000 0.735 60 A CB -0.562 18.176 19.000 -0.436 0.000 0.802 60 A HN 0.792 nan 8.150 nan 0.000 0.467 61 A N -0.584 122.198 122.820 -0.063 0.000 2.462 61 A HA 0.417 1.022 4.320 -6.192 0.000 0.243 61 A C 0.725 178.344 177.584 0.059 0.000 1.076 61 A CA 0.268 52.322 52.037 0.029 0.000 0.773 61 A CB 0.261 19.298 19.000 0.062 0.000 1.010 61 A HN 0.577 nan 8.150 nan 0.000 0.493 62 Q N 1.921 121.773 119.800 0.087 0.000 2.620 62 Q HA 0.130 0.754 4.340 -6.192 0.000 0.232 62 Q C 2.131 178.210 176.000 0.131 0.000 0.836 62 Q CA 0.513 56.373 55.803 0.095 0.000 0.938 62 Q CB 0.008 28.796 28.738 0.084 0.000 1.242 62 Q HN 0.886 nan 8.270 nan 0.000 0.624 63 G N 0.763 109.678 108.800 0.192 0.000 2.639 63 G HA2 0.115 0.360 3.960 -6.192 0.000 0.216 63 G HA3 0.115 0.360 3.960 -6.192 0.000 0.216 63 G C 0.605 175.535 174.900 0.049 0.000 1.267 63 G CA 1.062 46.323 45.100 0.268 0.000 0.801 63 G HN 0.520 nan 8.290 nan 0.000 0.592 64 G N -1.697 107.033 108.800 -0.117 0.000 2.333 64 G HA2 0.368 0.613 3.960 -6.192 0.000 0.288 64 G HA3 0.368 0.613 3.960 -6.192 0.000 0.288 64 G C -1.793 173.027 174.900 -0.134 0.000 1.286 64 G CA -0.248 44.793 45.100 -0.098 0.000 0.865 64 G HN 0.760 nan 8.290 nan 0.000 0.506 65 I N 0.504 121.045 120.570 -0.049 0.000 2.465 65 I HA 0.490 0.944 4.170 -6.192 0.000 0.291 65 I C -0.991 175.072 176.117 -0.090 0.000 1.014 65 I CA -1.095 60.190 61.300 -0.025 0.000 1.093 65 I CB 1.750 39.808 38.000 0.096 0.000 1.267 65 I HN 0.361 nan 8.210 nan 0.000 0.431 66 N N 6.233 124.868 118.700 -0.109 0.000 2.444 66 N HA 0.686 1.710 4.740 -6.192 0.000 0.271 66 N C -0.980 174.414 175.510 -0.194 0.000 1.069 66 N CA -0.186 52.747 53.050 -0.195 0.000 0.965 66 N CB 1.737 40.100 38.487 -0.206 0.000 1.092 66 N HN 0.672 nan 8.380 nan 0.000 0.476 67 A N 0.712 123.380 122.820 -0.253 0.000 2.540 67 A HA 0.676 1.281 4.320 -6.192 0.000 0.297 67 A C -0.460 177.017 177.584 -0.178 0.000 1.056 67 A CA -0.745 51.181 52.037 -0.185 0.000 0.700 67 A CB 0.920 19.835 19.000 -0.142 0.000 1.280 67 A HN 0.535 nan 8.150 nan 0.000 0.398 68 A N 2.173 124.938 122.820 -0.091 0.000 3.019 68 A HA 0.449 1.053 4.320 -6.192 0.000 0.262 68 A C 0.968 178.536 177.584 -0.027 0.000 1.509 68 A CA -0.102 51.916 52.037 -0.031 0.000 1.159 68 A CB -1.005 18.039 19.000 0.074 0.000 1.042 68 A HN 0.878 nan 8.150 nan 0.000 0.641 69 L N -0.127 121.056 121.223 -0.068 0.000 2.265 69 L HA -0.032 0.592 4.340 -6.192 0.000 0.215 69 L C 1.690 178.530 176.870 -0.051 0.000 1.117 69 L CA 0.923 55.720 54.840 -0.071 0.000 0.782 69 L CB -0.275 41.717 42.059 -0.112 0.000 0.914 69 L HN 0.726 nan 8.230 nan 0.000 0.441 70 G N 0.556 109.333 108.800 -0.038 0.000 2.392 70 G HA2 -0.274 -0.029 3.960 -6.192 0.000 0.290 70 G HA3 -0.274 -0.029 3.960 -6.192 0.000 0.290 70 G C 0.335 175.221 174.900 -0.023 0.000 1.032 70 G CA 0.387 45.478 45.100 -0.015 0.000 1.269 70 G HN 0.326 nan 8.290 nan 0.000 0.511 71 N N -0.203 118.477 118.700 -0.033 0.000 2.415 71 N HA 0.122 1.147 4.740 -6.192 0.000 0.174 71 N C 2.364 177.866 175.510 -0.014 0.000 1.048 71 N CA 0.904 53.937 53.050 -0.027 0.000 0.895 71 N CB -0.062 38.401 38.487 -0.039 0.000 1.036 71 N HN 0.495 nan 8.380 nan 0.000 0.449 72 M N 0.503 120.089 119.600 -0.024 0.000 2.224 72 M HA 0.087 0.852 4.480 -6.192 0.000 0.253 72 M C 0.806 177.076 176.300 -0.049 0.000 1.115 72 M CA 1.162 56.437 55.300 -0.041 0.000 1.168 72 M CB -0.872 31.678 32.600 -0.082 0.000 1.288 72 M HN 0.054 nan 8.290 nan 0.000 0.446 73 E N 1.836 122.012 120.200 -0.041 0.000 2.339 73 E HA 0.289 0.924 4.350 -6.192 0.000 0.262 73 E C -1.034 175.583 176.600 0.029 0.000 0.934 73 E CA -0.600 55.792 56.400 -0.014 0.000 0.802 73 E CB 1.022 30.706 29.700 -0.026 0.000 1.275 73 E HN 0.386 nan 8.360 nan 0.000 0.427 74 E N 1.432 121.660 120.200 0.048 0.000 2.376 74 E HA 0.249 0.884 4.350 -6.192 0.000 0.266 74 E C -0.726 175.961 176.600 0.145 0.000 1.009 74 E CA -0.133 56.306 56.400 0.066 0.000 0.902 74 E CB 0.557 30.290 29.700 0.056 0.000 0.972 74 E HN 0.400 nan 8.360 nan 0.000 0.439 75 D N 1.726 122.175 120.400 0.081 0.000 2.531 75 D HA 0.291 1.216 4.640 -6.192 0.000 0.244 75 D C -1.434 174.736 176.300 -0.217 0.000 1.090 75 D CA -0.750 53.312 54.000 0.104 0.000 0.989 75 D CB 1.685 42.548 40.800 0.105 0.000 1.433 75 D HN 0.567 nan 8.370 nan 0.000 0.492 76 N N 1.250 119.643 118.700 -0.512 0.000 2.260 76 N HA 0.068 1.093 4.740 -6.192 0.000 0.293 76 N C 0.924 176.145 175.510 -0.483 0.000 1.058 76 N CA -0.689 51.903 53.050 -0.763 0.000 0.824 76 N CB 1.020 38.574 38.487 -1.555 0.000 1.551 76 N HN 0.684 nan 8.380 nan 0.000 0.475 77 W N 3.951 125.081 121.300 -0.284 0.000 2.465 77 W HA 0.005 0.949 4.660 -6.194 0.000 0.268 77 W C 0.632 177.126 176.519 -0.042 0.000 1.242 77 W CA 0.141 57.432 57.345 -0.089 0.000 1.248 77 W CB -0.451 28.967 29.460 -0.071 0.000 1.118 77 W HN 0.502 nan 8.180 nan 0.000 0.587 78 R N -0.410 119.560 120.500 -0.883 0.000 2.148 78 R HA -0.104 0.521 4.340 -6.192 0.000 0.223 78 R C 2.031 178.249 176.300 -0.137 0.000 1.088 78 R CA 1.759 57.459 56.100 -0.667 0.000 0.985 78 R CB -0.605 29.168 30.300 -0.878 0.000 0.880 78 R HN 0.104 nan 8.270 nan 0.000 0.451 79 W N 0.071 121.130 121.300 -0.400 0.000 2.436 79 W HA -0.052 0.892 4.660 -6.193 0.000 0.284 79 W C 1.996 178.540 176.519 0.041 0.000 1.225 79 W CA 0.534 57.650 57.345 -0.381 0.000 1.271 79 W CB -1.053 28.161 29.460 -0.411 0.000 1.114 79 W HN 0.328 nan 8.180 nan 0.000 0.559 80 H N -1.031 118.167 119.070 0.215 0.000 2.395 80 H HA -0.181 0.660 4.556 -6.191 0.000 0.299 80 H C 2.183 177.645 175.328 0.224 0.000 1.070 80 H CA 1.492 57.660 56.048 0.201 0.000 1.356 80 H CB -0.441 29.429 29.762 0.179 0.000 1.401 80 H HN 0.045 nan 8.280 nan 0.000 0.524 81 F N 1.010 120.992 119.950 0.054 0.000 2.095 81 F HA -0.291 0.522 4.527 -6.190 0.000 0.298 81 F C 2.387 178.234 175.800 0.078 0.000 1.104 81 F CA 1.850 59.862 58.000 0.021 0.000 1.232 81 F CB -0.957 38.099 39.000 0.094 0.000 0.987 81 F HN 0.181 nan 8.300 nan 0.000 0.475 82 Y N 1.467 121.808 120.300 0.069 0.000 2.165 82 Y HA -0.241 0.595 4.550 -6.189 0.000 0.286 82 Y C 2.217 178.049 175.900 -0.114 0.000 1.155 82 Y CA 2.176 60.282 58.100 0.009 0.000 1.164 82 Y CB -0.823 37.879 38.460 0.404 0.000 0.978 82 Y HN 0.115 nan 8.280 nan 0.000 0.513 83 D N -0.784 119.613 120.400 -0.005 0.000 2.178 83 D HA -0.143 0.782 4.640 -6.192 0.000 0.201 83 D C 2.025 178.208 176.300 -0.196 0.000 0.980 83 D CA 1.876 55.843 54.000 -0.055 0.000 0.842 83 D CB -0.250 40.645 40.800 0.157 0.000 0.948 83 D HN 0.440 nan 8.370 nan 0.000 0.472 84 T N 0.612 115.009 114.554 -0.262 0.000 2.809 84 T HA -0.088 0.547 4.350 -6.192 0.000 0.260 84 T C 2.333 176.780 174.700 -0.421 0.000 1.039 84 T CA 1.408 63.338 62.100 -0.284 0.000 1.141 84 T CB -0.363 68.331 68.868 -0.289 0.000 0.869 84 T HN 0.163 nan 8.240 nan 0.000 0.437 85 V N 0.582 120.117 119.914 -0.632 0.000 2.427 85 V HA -0.004 0.401 4.120 -6.192 0.000 0.248 85 V C 2.302 177.756 176.094 -1.067 0.000 1.051 85 V CA 1.532 63.375 62.300 -0.761 0.000 1.048 85 V CB -0.720 30.620 31.823 -0.806 0.000 0.666 85 V HN 0.279 nan 8.190 nan 0.000 0.456 86 K N 1.075 120.842 120.400 -1.054 0.000 2.097 86 K HA -0.026 0.578 4.320 -6.192 0.000 0.205 86 K C 2.162 178.401 176.600 -0.601 0.000 1.050 86 K CA 1.411 57.018 56.287 -1.132 0.000 0.938 86 K CB -0.633 31.347 32.500 -0.866 0.000 0.718 86 K HN 0.604 nan 8.250 nan 0.000 0.442 87 G N 0.452 109.037 108.800 -0.359 0.000 2.422 87 G HA2 -0.218 0.027 3.960 -6.192 0.000 0.218 87 G HA3 -0.218 0.027 3.960 -6.192 0.000 0.218 87 G C 1.376 176.173 174.900 -0.172 0.000 1.140 87 G CA 1.007 46.012 45.100 -0.160 0.000 0.775 87 G HN 0.463 nan 8.290 nan 0.000 0.545 88 S N -0.094 115.438 115.700 -0.279 0.000 2.607 88 S HA 0.025 0.780 4.470 -6.192 0.000 0.224 88 S C 1.058 175.558 174.600 -0.168 0.000 0.969 88 S CA 0.938 59.017 58.200 -0.202 0.000 0.927 88 S CB -0.013 63.053 63.200 -0.223 0.000 0.772 88 S HN 0.285 nan 8.310 nan 0.000 0.533 89 D N 0.703 120.979 120.400 -0.207 0.000 2.837 89 D HA -0.203 0.722 4.640 -6.192 0.000 0.230 89 D C -0.513 175.947 176.300 0.267 0.000 1.152 89 D CA 1.051 55.089 54.000 0.063 0.000 0.736 89 D CB -2.012 38.879 40.800 0.151 0.000 1.084 89 D HN 0.723 nan 8.370 nan 0.000 0.429 90 W N -2.253 119.001 121.300 -0.076 0.000 5.121 90 W HA -0.309 0.631 4.660 -6.201 0.000 0.372 90 W C 1.141 177.621 176.519 -0.064 0.000 1.394 90 W CA 0.571 57.867 57.345 -0.082 0.000 0.885 90 W CB -2.027 27.366 29.460 -0.113 0.000 2.520 90 W HN 0.307 nan 8.180 nan 0.000 1.455 91 L N -0.026 121.212 121.223 0.025 0.000 2.731 91 L HA 0.433 1.057 4.340 -6.192 0.000 0.240 91 L C 1.562 178.417 176.870 -0.024 0.000 1.120 91 L CA 1.253 56.060 54.840 -0.055 0.000 0.913 91 L CB 0.111 42.075 42.059 -0.159 0.000 1.213 91 L HN -0.031 nan 8.230 nan 0.000 0.515 92 G N 0.137 108.913 108.800 -0.039 0.000 2.378 92 G HA2 0.139 0.383 3.960 -6.192 0.000 0.255 92 G HA3 0.139 0.383 3.960 -6.192 0.000 0.255 92 G C -0.795 174.141 174.900 0.060 0.000 1.270 92 G CA -0.423 44.670 45.100 -0.013 0.000 0.876 92 G HN 0.135 nan 8.290 nan 0.000 0.521 93 D N 2.340 122.816 120.400 0.127 0.000 2.344 93 D HA 0.058 0.982 4.640 -6.192 0.000 0.253 93 D C 1.405 177.799 176.300 0.157 0.000 1.255 93 D CA 0.216 54.316 54.000 0.166 0.000 0.894 93 D CB 1.396 42.299 40.800 0.173 0.000 1.067 93 D HN 0.506 nan 8.370 nan 0.000 0.492 94 Q N 1.227 121.137 119.800 0.184 0.000 2.437 94 Q HA -0.117 0.507 4.340 -6.192 0.000 0.210 94 Q C 1.221 177.434 176.000 0.355 0.000 0.972 94 Q CA 0.650 56.620 55.803 0.279 0.000 0.903 94 Q CB 0.292 29.227 28.738 0.329 0.000 0.967 94 Q HN 0.506 nan 8.270 nan 0.000 0.486 95 D N 0.454 120.996 120.400 0.236 0.000 2.149 95 D HA -0.120 0.804 4.640 -6.192 0.000 0.201 95 D C 1.659 178.072 176.300 0.188 0.000 0.972 95 D CA 1.272 55.359 54.000 0.146 0.000 0.835 95 D CB -0.177 40.666 40.800 0.071 0.000 0.966 95 D HN 0.150 nan 8.370 nan 0.000 0.476 96 A N 0.590 123.576 122.820 0.276 0.000 1.970 96 A HA 0.097 0.702 4.320 -6.192 0.000 0.216 96 A C 2.477 180.333 177.584 0.452 0.000 1.170 96 A CA 0.566 52.854 52.037 0.419 0.000 0.645 96 A CB -0.624 18.558 19.000 0.303 0.000 0.816 96 A HN 0.243 nan 8.150 nan 0.000 0.447 97 I N -1.419 119.356 120.570 0.341 0.000 2.439 97 I HA -0.199 0.255 4.170 -6.192 0.000 0.251 97 I C 2.353 178.763 176.117 0.489 0.000 1.139 97 I CA 1.446 62.928 61.300 0.303 0.000 1.438 97 I CB -0.485 37.586 38.000 0.118 0.000 1.085 97 I HN 0.578 nan 8.210 nan 0.000 0.427 98 H N 0.334 119.672 119.070 0.447 0.000 2.253 98 H HA -0.327 0.513 4.556 -6.193 0.000 0.296 98 H C 2.382 177.788 175.328 0.129 0.000 1.074 98 H CA 2.226 58.449 56.048 0.291 0.000 1.263 98 H CB -0.239 29.594 29.762 0.119 0.000 1.363 98 H HN 0.317 nan 8.280 nan 0.000 0.489 99 Y N 0.312 120.727 120.300 0.192 0.000 2.207 99 Y HA -0.304 0.531 4.550 -6.193 0.000 0.287 99 Y C 2.753 178.594 175.900 -0.098 0.000 1.156 99 Y CA 1.914 60.006 58.100 -0.014 0.000 1.182 99 Y CB -0.137 38.311 38.460 -0.020 0.000 0.979 99 Y HN 0.328 nan 8.280 nan 0.000 0.521 100 M N -0.571 119.027 119.600 -0.002 0.000 2.123 100 M HA -0.151 0.614 4.480 -6.192 0.000 0.263 100 M C 2.197 178.425 176.300 -0.121 0.000 1.069 100 M CA 2.230 57.437 55.300 -0.155 0.000 1.133 100 M CB -0.320 32.300 32.600 0.035 0.000 1.356 100 M HN 0.425 nan 8.290 nan 0.000 0.415 101 T N -2.480 112.075 114.554 0.002 0.000 2.951 101 T HA -0.126 0.509 4.350 -6.192 0.000 0.268 101 T C 1.565 176.231 174.700 -0.057 0.000 1.073 101 T CA 1.426 63.583 62.100 0.095 0.000 1.134 101 T CB -0.418 68.567 68.868 0.194 0.000 0.884 101 T HN 0.562 nan 8.240 nan 0.000 0.479 102 E N 0.570 120.491 120.200 -0.464 0.000 2.107 102 E HA -0.159 0.475 4.350 -6.192 0.000 0.191 102 E C 2.345 178.522 176.600 -0.704 0.000 0.982 102 E CA 0.751 56.464 56.400 -1.146 0.000 0.809 102 E CB -0.069 28.901 29.700 -1.216 0.000 0.756 102 E HN 0.433 nan 8.360 nan 0.000 0.459 103 Q N 0.111 119.579 119.800 -0.553 0.000 2.378 103 Q HA 0.047 0.671 4.340 -6.192 0.000 0.205 103 Q C 1.636 177.458 176.000 -0.298 0.000 0.954 103 Q CA 1.034 56.553 55.803 -0.473 0.000 0.901 103 Q CB -0.155 28.209 28.738 -0.623 0.000 0.981 103 Q HN 0.354 nan 8.270 nan 0.000 0.483 104 A N 1.221 123.916 122.820 -0.209 0.000 1.896 104 A HA -0.206 0.399 4.320 -6.192 0.000 0.220 104 A C -0.459 177.060 177.584 -0.108 0.000 1.206 104 A CA 1.909 53.895 52.037 -0.084 0.000 0.647 104 A CB -1.753 17.294 19.000 0.078 0.000 0.828 104 A HN 0.415 nan 8.150 nan 0.000 0.455 105 P HA -0.035 nan 4.420 nan 0.000 0.215 105 P C 1.754 178.969 177.300 -0.142 0.000 1.157 105 P CA 1.841 64.865 63.100 -0.127 0.000 0.859 105 P CB -0.187 31.445 31.700 -0.113 0.000 0.786 106 A N -0.731 121.989 122.820 -0.166 0.000 1.933 106 A HA -0.165 0.439 4.320 -6.192 0.000 0.218 106 A C 2.415 179.913 177.584 -0.144 0.000 1.175 106 A CA 2.114 54.057 52.037 -0.156 0.000 0.628 106 A CB -1.576 17.316 19.000 -0.179 0.000 0.814 106 A HN 0.114 nan 8.150 nan 0.000 0.444 107 S N -0.982 114.632 115.700 -0.143 0.000 2.406 107 S HA -0.049 0.705 4.470 -6.192 0.000 0.228 107 S C 1.843 176.398 174.600 -0.076 0.000 1.020 107 S CA 1.149 59.284 58.200 -0.108 0.000 0.965 107 S CB -0.175 62.964 63.200 -0.101 0.000 0.798 107 S HN 0.328 nan 8.310 nan 0.000 0.488 108 V N 1.071 120.935 119.914 -0.084 0.000 2.379 108 V HA -0.070 0.335 4.120 -6.192 0.000 0.245 108 V C 2.238 178.266 176.094 -0.109 0.000 1.044 108 V CA 1.146 63.402 62.300 -0.073 0.000 1.036 108 V CB -0.458 31.276 31.823 -0.148 0.000 0.664 108 V HN 0.305 nan 8.190 nan 0.000 0.453 109 V N 0.134 119.963 119.914 -0.141 0.000 2.332 109 V HA -0.321 0.084 4.120 -6.192 0.000 0.248 109 V C 2.465 178.475 176.094 -0.142 0.000 1.055 109 V CA 2.441 64.662 62.300 -0.133 0.000 1.038 109 V CB -0.575 31.175 31.823 -0.121 0.000 0.651 109 V HN 0.697 nan 8.190 nan 0.000 0.450 110 E N -0.048 120.036 120.200 -0.194 0.000 2.097 110 E HA -0.260 0.375 4.350 -6.192 0.000 0.196 110 E C 2.198 178.435 176.600 -0.605 0.000 1.000 110 E CA 1.685 57.858 56.400 -0.378 0.000 0.804 110 E CB -0.159 29.347 29.700 -0.323 0.000 0.740 110 E HN 0.581 nan 8.360 nan 0.000 0.454 111 L N 0.829 121.899 121.223 -0.255 0.000 2.093 111 L HA -0.143 0.482 4.340 -6.192 0.000 0.208 111 L C 2.824 179.779 176.870 0.140 0.000 1.085 111 L CA 1.087 55.919 54.840 -0.013 0.000 0.755 111 L CB -0.361 41.821 42.059 0.204 0.000 0.904 111 L HN 0.189 nan 8.230 nan 0.000 0.435 112 E N 0.510 120.831 120.200 0.203 0.000 2.106 112 E HA -0.197 0.438 4.350 -6.192 0.000 0.192 112 E C 1.695 178.368 176.600 0.121 0.000 0.984 112 E CA 1.107 57.670 56.400 0.271 0.000 0.806 112 E CB 0.018 29.826 29.700 0.181 0.000 0.750 112 E HN 0.438 nan 8.360 nan 0.000 0.458 113 N N -0.444 118.260 118.700 0.006 0.000 2.396 113 N HA -0.083 0.941 4.740 -6.192 0.000 0.180 113 N C 1.531 177.111 175.510 0.116 0.000 1.028 113 N CA 0.697 53.754 53.050 0.011 0.000 0.893 113 N CB -0.305 38.148 38.487 -0.055 0.000 0.967 113 N HN 0.362 nan 8.380 nan 0.000 0.440 114 Y N -1.039 119.304 120.300 0.072 0.000 2.263 114 Y HA 0.026 0.861 4.550 -6.192 0.000 0.292 114 Y C 1.558 177.472 175.900 0.024 0.000 1.130 114 Y CA 0.436 58.560 58.100 0.040 0.000 1.179 114 Y CB 0.292 38.778 38.460 0.043 0.000 0.998 114 Y HN 0.182 nan 8.280 nan 0.000 0.532 115 G N -0.038 108.883 108.800 0.202 0.000 2.363 115 G HA2 -0.168 0.077 3.960 -6.192 0.000 0.213 115 G HA3 -0.168 0.077 3.960 -6.192 0.000 0.213 115 G C -0.216 174.731 174.900 0.080 0.000 1.028 115 G CA -0.591 44.579 45.100 0.117 0.000 0.822 115 G HN 0.123 nan 8.290 nan 0.000 0.536 116 M N 2.714 122.365 119.600 0.085 0.000 2.251 116 M HA 0.350 1.115 4.480 -6.192 0.000 0.346 116 M C -1.660 174.575 176.300 -0.107 0.000 1.499 116 M CA -1.552 53.700 55.300 -0.080 0.000 1.128 116 M CB 0.747 33.220 32.600 -0.211 0.000 1.809 116 M HN -0.034 nan 8.290 nan 0.000 0.464 117 P HA 0.064 nan 4.420 nan 0.000 0.226 117 P C -0.940 176.344 177.300 -0.026 0.000 1.783 117 P CA 0.011 63.094 63.100 -0.028 0.000 0.980 117 P CB -0.884 30.805 31.700 -0.019 0.000 1.967 118 F N 0.476 120.461 119.950 0.059 0.000 2.629 118 F HA -0.043 0.768 4.527 -6.193 0.000 0.369 118 F C 1.673 177.519 175.800 0.076 0.000 1.125 118 F CA 0.788 58.831 58.000 0.071 0.000 1.330 118 F CB -0.040 38.999 39.000 0.065 0.000 1.071 118 F HN 0.059 nan 8.300 nan 0.000 0.595 119 S N 3.479 119.360 115.700 0.302 0.000 2.566 119 S HA 0.255 1.010 4.470 -6.192 0.000 0.280 119 S C 0.226 174.953 174.600 0.212 0.000 1.343 119 S CA -0.626 57.691 58.200 0.195 0.000 1.036 119 S CB 0.399 63.699 63.200 0.166 0.000 0.866 119 S HN 0.329 nan 8.310 nan 0.000 0.526 120 R N 1.024 121.583 120.500 0.099 0.000 2.778 120 R HA 0.516 1.141 4.340 -6.192 0.000 0.277 120 R C 0.496 176.839 176.300 0.070 0.000 0.977 120 R CA -0.628 55.532 56.100 0.098 0.000 0.950 120 R CB 1.230 31.569 30.300 0.065 0.000 1.165 120 R HN 0.833 nan 8.270 nan 0.000 0.474 121 T N -2.427 112.187 114.554 0.099 0.000 2.867 121 T HA 0.131 0.765 4.350 -6.192 0.000 0.286 121 T C 1.134 175.861 174.700 0.044 0.000 1.022 121 T CA -0.442 61.712 62.100 0.090 0.000 0.933 121 T CB 0.808 69.740 68.868 0.106 0.000 1.280 121 T HN 0.524 nan 8.240 nan 0.000 0.566 122 E N -0.034 120.188 120.200 0.038 0.000 2.152 122 E HA -0.074 0.561 4.350 -6.192 0.000 0.192 122 E C 1.611 178.224 176.600 0.022 0.000 0.983 122 E CA 1.132 57.545 56.400 0.023 0.000 0.818 122 E CB -0.585 29.126 29.700 0.019 0.000 0.758 122 E HN 0.731 nan 8.360 nan 0.000 0.467 123 D N -1.191 119.225 120.400 0.026 0.000 2.312 123 D HA 0.008 0.933 4.640 -6.192 0.000 0.211 123 D C 1.024 177.336 176.300 0.020 0.000 0.964 123 D CA 1.451 55.463 54.000 0.020 0.000 0.877 123 D CB 0.027 40.837 40.800 0.018 0.000 0.924 123 D HN 0.356 nan 8.370 nan 0.000 0.515 124 G N -0.134 108.683 108.800 0.028 0.000 2.159 124 G HA2 -0.259 -0.014 3.960 -6.192 0.000 0.227 124 G HA3 -0.259 -0.014 3.960 -6.192 0.000 0.227 124 G C 0.342 175.261 174.900 0.033 0.000 0.986 124 G CA 0.145 45.262 45.100 0.030 0.000 0.651 124 G HN 0.366 nan 8.290 nan 0.000 0.523 125 K N -0.402 120.017 120.400 0.032 0.000 2.132 125 K HA 0.679 1.284 4.320 -6.192 0.000 0.241 125 K C 0.772 177.392 176.600 0.034 0.000 1.000 125 K CA -1.033 55.263 56.287 0.016 0.000 0.911 125 K CB 1.193 33.690 32.500 -0.003 0.000 1.093 125 K HN 0.157 nan 8.250 nan 0.000 0.460 126 I N 2.422 122.977 120.570 -0.025 0.000 2.662 126 I HA -0.128 0.327 4.170 -6.192 0.000 0.285 126 I C -0.025 176.113 176.117 0.035 0.000 1.161 126 I CA 0.152 61.425 61.300 -0.046 0.000 1.415 126 I CB -0.157 37.636 38.000 -0.345 0.000 1.385 126 I HN 0.432 nan 8.210 nan 0.000 0.552 127 Y N 7.974 128.285 120.300 0.019 0.000 2.496 127 Y HA 0.119 0.954 4.550 -6.192 0.000 0.334 127 Y C 0.100 176.025 175.900 0.042 0.000 1.080 127 Y CA -0.086 58.039 58.100 0.042 0.000 1.355 127 Y CB 0.225 38.730 38.460 0.074 0.000 1.193 127 Y HN 0.514 nan 8.280 nan 0.000 0.523 128 Q N 5.205 124.729 119.800 -0.460 0.000 2.226 128 Q HA 0.514 1.139 4.340 -6.192 0.000 0.256 128 Q C -0.913 174.707 176.000 -0.633 0.000 0.962 128 Q CA -1.199 54.352 55.803 -0.419 0.000 0.887 128 Q CB 2.130 30.751 28.738 -0.195 0.000 1.282 128 Q HN 0.641 nan 8.270 nan 0.000 0.449 129 R N 0.103 120.393 120.500 -0.350 0.000 2.854 129 R HA 0.637 1.262 4.340 -6.192 0.000 0.271 129 R C -1.592 174.653 176.300 -0.092 0.000 0.994 129 R CA -0.418 55.562 56.100 -0.200 0.000 0.945 129 R CB 1.582 31.840 30.300 -0.070 0.000 1.194 129 R HN 0.724 nan 8.270 nan 0.000 0.476 130 A N 2.794 125.500 122.820 -0.190 0.000 2.440 130 A HA 0.478 1.083 4.320 -6.192 0.000 0.251 130 A C -1.024 176.570 177.584 0.016 0.000 1.089 130 A CA 0.321 52.190 52.037 -0.280 0.000 0.779 130 A CB -0.217 18.477 19.000 -0.509 0.000 1.022 130 A HN 0.556 nan 8.150 nan 0.000 0.492 131 F N 0.334 120.185 119.950 -0.164 0.000 2.626 131 F HA 0.563 1.374 4.527 -6.193 0.000 0.311 131 F C 0.878 176.607 175.800 -0.119 0.000 1.088 131 F CA -0.224 57.709 58.000 -0.111 0.000 0.949 131 F CB 1.797 40.748 39.000 -0.082 0.000 1.322 131 F HN 0.783 nan 8.300 nan 0.000 0.461 132 G N 0.966 109.641 108.800 -0.210 0.000 2.340 132 G HA2 0.393 0.638 3.960 -6.192 0.000 0.245 132 G HA3 0.393 0.638 3.960 -6.192 0.000 0.245 132 G C 0.795 175.620 174.900 -0.125 0.000 1.294 132 G CA 0.513 45.492 45.100 -0.202 0.000 0.896 132 G HN 1.627 nan 8.290 nan 0.000 0.522 133 G N 1.292 109.955 108.800 -0.229 0.000 2.195 133 G HA2 -0.228 0.017 3.960 -6.192 0.000 0.246 133 G HA3 -0.228 0.017 3.960 -6.192 0.000 0.246 133 G C 0.352 175.236 174.900 -0.028 0.000 0.984 133 G CA 0.380 45.294 45.100 -0.310 0.000 0.633 133 G HN 0.847 nan 8.290 nan 0.000 0.525 134 Q N 0.599 120.420 119.800 0.035 0.000 2.245 134 Q HA 0.636 1.261 4.340 -6.192 0.000 0.256 134 Q C -0.012 176.052 176.000 0.108 0.000 0.942 134 Q CA 0.183 56.048 55.803 0.104 0.000 0.896 134 Q CB 1.959 30.752 28.738 0.091 0.000 1.272 134 Q HN 0.713 nan 8.270 nan 0.000 0.442 135 S N 1.451 117.233 115.700 0.137 0.000 2.588 135 S HA 0.667 1.422 4.470 -6.192 0.000 0.275 135 S C -0.818 173.792 174.600 0.017 0.000 1.130 135 S CA -0.901 57.352 58.200 0.089 0.000 0.855 135 S CB 1.019 64.295 63.200 0.127 0.000 1.116 135 S HN 0.478 nan 8.310 nan 0.000 0.472 136 L N 1.542 122.702 121.223 -0.106 0.000 2.360 136 L HA 0.560 1.185 4.340 -6.192 0.000 0.271 136 L C 0.139 176.571 176.870 -0.730 0.000 1.057 136 L CA -0.883 53.744 54.840 -0.356 0.000 0.803 136 L CB 0.721 42.612 42.059 -0.280 0.000 1.207 136 L HN 0.939 nan 8.230 nan 0.000 0.445 137 K N 3.253 122.612 120.400 -1.734 0.000 3.653 137 K HA -0.237 0.368 4.320 -6.192 0.000 0.275 137 K C -0.541 175.592 176.600 -0.779 0.000 0.962 137 K CA 0.322 55.607 56.287 -1.670 0.000 0.773 137 K CB -1.411 30.574 32.500 -0.857 0.000 1.463 137 K HN 0.508 nan 8.250 nan 0.000 0.450 138 F N -0.692 118.842 119.950 -0.694 0.000 3.048 138 F HA -0.284 0.527 4.527 -6.193 0.000 0.269 138 F C 1.246 176.676 175.800 -0.616 0.000 0.960 138 F CA 1.375 59.012 58.000 -0.604 0.000 0.909 138 F CB -1.814 36.836 39.000 -0.584 0.000 0.837 138 F HN 0.685 nan 8.300 nan 0.000 0.768 139 G N -0.156 108.570 108.800 -0.123 0.000 2.256 139 G HA2 -0.291 -0.046 3.960 -6.192 0.000 0.272 139 G HA3 -0.291 -0.046 3.960 -6.192 0.000 0.272 139 G C 0.810 175.685 174.900 -0.042 0.000 1.076 139 G CA 0.360 45.486 45.100 0.044 0.000 0.882 139 G HN 0.460 nan 8.290 nan 0.000 0.497 140 K N -1.065 119.260 120.400 -0.123 0.000 2.550 140 K HA 0.168 0.773 4.320 -6.192 0.000 0.205 140 K C 1.703 178.234 176.600 -0.116 0.000 1.429 140 K CA 0.629 56.851 56.287 -0.108 0.000 0.997 140 K CB 0.653 33.081 32.500 -0.121 0.000 1.328 140 K HN 0.556 nan 8.250 nan 0.000 0.546 141 G N 1.491 110.184 108.800 -0.180 0.000 3.882 141 G HA2 0.439 0.684 3.960 -6.192 0.000 0.283 141 G HA3 0.439 0.684 3.960 -6.192 0.000 0.283 141 G C 0.655 175.500 174.900 -0.092 0.000 1.283 141 G CA 0.330 45.334 45.100 -0.160 0.000 1.402 141 G HN 0.356 nan 8.290 nan 0.000 0.618 142 G N 0.336 109.110 108.800 -0.044 0.000 2.528 142 G HA2 -0.231 0.014 3.960 -6.192 0.000 0.262 142 G HA3 -0.231 0.014 3.960 -6.192 0.000 0.262 142 G C 0.094 175.007 174.900 0.021 0.000 1.200 142 G CA 0.223 45.323 45.100 0.000 0.000 0.951 142 G HN 0.885 nan 8.290 nan 0.000 0.566 143 Q N 0.776 120.605 119.800 0.048 0.000 2.261 143 Q HA 0.678 1.302 4.340 -6.192 0.000 0.252 143 Q C 0.282 176.338 176.000 0.093 0.000 0.915 143 Q CA 0.630 56.461 55.803 0.045 0.000 0.915 143 Q CB 1.147 29.895 28.738 0.016 0.000 1.204 143 Q HN 1.611 nan 8.270 nan 0.000 0.421 144 A N 4.689 127.538 122.820 0.049 0.000 2.301 144 A HA 0.418 1.022 4.320 -6.192 0.000 0.312 144 A C -1.077 176.516 177.584 0.015 0.000 1.182 144 A CA -0.496 51.599 52.037 0.096 0.000 0.826 144 A CB 0.440 19.492 19.000 0.088 0.000 1.134 144 A HN 0.883 nan 8.150 nan 0.000 0.501 145 H N 2.593 121.665 119.070 0.003 0.000 2.683 145 H HA 0.321 1.162 4.556 -6.192 0.000 0.270 145 H C 0.352 175.641 175.328 -0.065 0.000 1.201 145 H CA -0.190 55.839 56.048 -0.032 0.000 1.277 145 H CB 0.645 30.381 29.762 -0.043 0.000 1.400 145 H HN 0.865 nan 8.280 nan 0.000 0.504 146 R N 0.665 121.152 120.500 -0.020 0.000 2.544 146 R HA 0.153 0.778 4.340 -6.192 0.000 0.426 146 R C -0.450 175.755 176.300 -0.157 0.000 0.943 146 R CA -0.265 55.780 56.100 -0.091 0.000 1.162 146 R CB -0.497 29.738 30.300 -0.108 0.000 1.588 146 R HN 0.226 nan 8.270 nan 0.000 0.563 147 C N 3.013 122.224 119.300 -0.148 0.000 2.192 147 C HA 0.498 1.243 4.460 -6.192 0.000 0.337 147 C C 0.665 175.563 174.990 -0.153 0.000 1.103 147 C CA -0.629 58.273 59.018 -0.193 0.000 1.581 147 C CB -1.351 26.253 27.740 -0.227 0.000 2.070 147 C HN 0.686 nan 8.230 nan 0.000 0.485 148 C N 5.579 124.806 119.300 -0.123 0.000 2.648 148 C HA 0.517 1.262 4.460 -6.192 0.000 0.419 148 C C 0.847 175.939 174.990 0.170 0.000 1.352 148 C CA -0.521 58.472 59.018 -0.041 0.000 1.816 148 C CB -2.117 25.518 27.740 -0.175 0.000 2.598 148 C HN 0.998 nan 8.230 nan 0.000 0.598 149 C N 1.586 121.078 119.300 0.319 0.000 2.985 149 C HA 0.750 1.495 4.460 -6.192 0.000 0.314 149 C C -0.703 174.494 174.990 0.345 0.000 1.215 149 C CA -0.692 58.512 59.018 0.310 0.000 1.414 149 C CB 0.270 28.141 27.740 0.218 0.000 1.842 149 C HN 0.623 nan 8.230 nan 0.000 0.477 150 V N 4.013 124.005 119.914 0.129 0.000 2.247 150 V HA 0.603 1.008 4.120 -6.192 0.000 0.262 150 V C 1.305 177.444 176.094 0.075 0.000 1.096 150 V CA 1.248 63.570 62.300 0.036 0.000 0.895 150 V CB -0.499 31.242 31.823 -0.137 0.000 1.141 150 V HN 2.035 nan 8.190 nan 0.000 0.478 151 A N 4.323 127.211 122.820 0.112 0.000 5.395 151 A HA -0.364 0.241 4.320 -6.192 0.000 0.332 151 A C 1.450 179.096 177.584 0.103 0.000 1.754 151 A CA 1.917 54.008 52.037 0.091 0.000 0.716 151 A CB -1.419 17.605 19.000 0.040 0.000 1.411 151 A HN 0.743 nan 8.150 nan 0.000 0.398 152 D N -0.058 120.383 120.400 0.069 0.000 2.349 152 D HA 0.190 1.114 4.640 -6.192 0.000 0.214 152 D C 1.009 177.343 176.300 0.057 0.000 1.063 152 D CA 0.447 54.490 54.000 0.071 0.000 0.847 152 D CB -0.115 40.716 40.800 0.050 0.000 0.933 152 D HN 0.460 nan 8.370 nan 0.000 0.513 153 R N -0.486 120.043 120.500 0.048 0.000 2.997 153 R HA 0.248 0.872 4.340 -6.192 0.000 0.358 153 R C 0.956 177.311 176.300 0.092 0.000 1.191 153 R CA -0.043 56.091 56.100 0.056 0.000 1.113 153 R CB 0.513 30.811 30.300 -0.004 0.000 1.433 153 R HN -0.084 nan 8.270 nan 0.000 0.584 154 T N -0.417 114.179 114.554 0.069 0.000 2.737 154 T HA -0.117 0.518 4.350 -6.192 0.000 0.265 154 T C 2.068 176.794 174.700 0.043 0.000 1.038 154 T CA 1.724 63.844 62.100 0.035 0.000 1.144 154 T CB -0.077 68.823 68.868 0.054 0.000 0.866 154 T HN 0.588 nan 8.240 nan 0.000 0.434 155 G N 1.071 109.915 108.800 0.072 0.000 2.422 155 G HA2 -0.291 -0.046 3.960 -6.192 0.000 0.218 155 G HA3 -0.291 -0.046 3.960 -6.192 0.000 0.218 155 G C 1.386 176.343 174.900 0.095 0.000 1.146 155 G CA 0.888 46.032 45.100 0.073 0.000 0.769 155 G HN 0.612 nan 8.290 nan 0.000 0.547 156 H N 0.965 120.059 119.070 0.041 0.000 2.290 156 H HA -0.053 0.788 4.556 -6.192 0.000 0.298 156 H C 2.512 177.929 175.328 0.148 0.000 1.087 156 H CA 1.807 57.915 56.048 0.101 0.000 1.291 156 H CB -0.237 29.563 29.762 0.063 0.000 1.369 156 H HN 0.301 nan 8.280 nan 0.000 0.492 157 S N 0.807 116.528 115.700 0.036 0.000 2.383 157 S HA -0.095 0.660 4.470 -6.192 0.000 0.227 157 S C 2.292 176.861 174.600 -0.050 0.000 1.026 157 S CA 0.826 58.994 58.200 -0.054 0.000 0.981 157 S CB -0.315 62.855 63.200 -0.050 0.000 0.818 157 S HN 0.334 nan 8.310 nan 0.000 0.472 158 L N 1.365 122.570 121.223 -0.030 0.000 1.989 158 L HA -0.095 0.529 4.340 -6.192 0.000 0.211 158 L C 2.120 179.018 176.870 0.047 0.000 1.071 158 L CA 1.568 56.417 54.840 0.015 0.000 0.749 158 L CB -0.496 41.591 42.059 0.046 0.000 0.890 158 L HN 0.263 nan 8.230 nan 0.000 0.431 159 L N -1.160 120.074 121.223 0.017 0.000 2.093 159 L HA -0.205 0.420 4.340 -6.192 0.000 0.208 159 L C 2.553 179.392 176.870 -0.052 0.000 1.085 159 L CA 1.755 56.585 54.840 -0.017 0.000 0.755 159 L CB -0.914 41.101 42.059 -0.072 0.000 0.904 159 L HN 0.403 nan 8.230 nan 0.000 0.435 160 H N -1.083 117.925 119.070 -0.103 0.000 2.357 160 H HA -0.087 0.754 4.556 -6.192 0.000 0.301 160 H C 2.048 177.378 175.328 0.005 0.000 1.082 160 H CA 2.134 58.140 56.048 -0.069 0.000 1.342 160 H CB -0.209 29.425 29.762 -0.213 0.000 1.389 160 H HN 0.502 nan 8.280 nan 0.000 0.511 161 T N -0.940 113.673 114.554 0.098 0.000 2.951 161 T HA -0.025 0.610 4.350 -6.192 0.000 0.268 161 T C 2.317 177.026 174.700 0.014 0.000 1.073 161 T CA 0.406 62.540 62.100 0.057 0.000 1.134 161 T CB -0.480 68.429 68.868 0.069 0.000 0.884 161 T HN 0.118 nan 8.240 nan 0.000 0.479 162 L N -0.739 120.522 121.223 0.063 0.000 2.027 162 L HA 0.052 0.676 4.340 -6.192 0.000 0.206 162 L C 2.589 179.431 176.870 -0.048 0.000 1.074 162 L CA 1.573 56.450 54.840 0.062 0.000 0.745 162 L CB -0.571 41.615 42.059 0.211 0.000 0.898 162 L HN 0.233 nan 8.230 nan 0.000 0.433 163 Y N 0.673 120.902 120.300 -0.119 0.000 2.145 163 Y HA -0.185 0.650 4.550 -6.192 0.000 0.286 163 Y C 2.293 178.072 175.900 -0.201 0.000 1.145 163 Y CA 1.508 59.496 58.100 -0.186 0.000 1.148 163 Y CB -0.850 37.453 38.460 -0.261 0.000 0.981 163 Y HN 0.094 nan 8.280 nan 0.000 0.507 164 G N 0.839 109.523 108.800 -0.194 0.000 2.529 164 G HA2 -0.351 -0.107 3.960 -6.192 0.000 0.219 164 G HA3 -0.351 -0.107 3.960 -6.192 0.000 0.219 164 G C 1.892 176.564 174.900 -0.379 0.000 1.177 164 G CA 1.128 46.076 45.100 -0.253 0.000 0.773 164 G HN 0.276 nan 8.290 nan 0.000 0.573 165 R N 0.925 121.167 120.500 -0.430 0.000 2.120 165 R HA -0.068 0.557 4.340 -6.192 0.000 0.234 165 R C 2.990 178.907 176.300 -0.639 0.000 1.123 165 R CA 1.554 57.291 56.100 -0.605 0.000 0.975 165 R CB -0.755 28.974 30.300 -0.950 0.000 0.866 165 R HN 0.524 nan 8.270 nan 0.000 0.446 166 S N -0.048 115.282 115.700 -0.617 0.000 2.547 166 S HA -0.037 0.717 4.470 -6.192 0.000 0.235 166 S C 1.606 176.124 174.600 -0.136 0.000 0.980 166 S CA 0.419 58.451 58.200 -0.281 0.000 0.941 166 S CB -0.075 63.115 63.200 -0.017 0.000 0.763 166 S HN 0.112 nan 8.310 nan 0.000 0.532 167 L N 1.173 122.190 121.223 -0.344 0.000 2.554 167 L HA 0.292 0.917 4.340 -6.192 0.000 0.226 167 L C 2.262 178.993 176.870 -0.233 0.000 1.137 167 L CA 0.820 55.495 54.840 -0.275 0.000 0.863 167 L CB -1.168 40.687 42.059 -0.341 0.000 0.985 167 L HN 0.411 nan 8.230 nan 0.000 0.451 168 R N -1.628 118.652 120.500 -0.367 0.000 2.299 168 R HA 0.039 0.664 4.340 -6.192 0.000 0.197 168 R C -0.271 175.657 176.300 -0.620 0.000 0.971 168 R CA 0.342 56.106 56.100 -0.559 0.000 1.030 168 R CB 0.134 29.949 30.300 -0.808 0.000 0.932 168 R HN 0.198 nan 8.270 nan 0.000 0.477 169 Y N -0.368 119.913 120.300 -0.032 0.000 2.630 169 Y HA 0.142 0.977 4.550 -6.192 0.000 0.337 169 Y C 0.321 176.247 175.900 0.043 0.000 1.051 169 Y CA -1.790 56.325 58.100 0.024 0.000 1.121 169 Y CB 0.782 39.283 38.460 0.069 0.000 1.299 169 Y HN -0.017 nan 8.280 nan 0.000 0.498 170 D N -1.298 119.239 120.400 0.228 0.000 2.870 170 D HA 0.080 1.005 4.640 -6.192 0.000 0.241 170 D C -0.614 175.776 176.300 0.150 0.000 1.234 170 D CA -0.275 53.815 54.000 0.150 0.000 0.844 170 D CB -0.874 39.995 40.800 0.114 0.000 1.051 170 D HN 0.286 nan 8.370 nan 0.000 0.469 171 T N 0.134 114.785 114.554 0.162 0.000 2.738 171 T HA 0.186 0.821 4.350 -6.192 0.000 0.293 171 T C 0.361 175.052 174.700 -0.015 0.000 0.913 171 T CA -0.577 61.541 62.100 0.030 0.000 1.103 171 T CB 0.783 69.626 68.868 -0.042 0.000 0.880 171 T HN 0.041 nan 8.240 nan 0.000 0.526 172 S N 3.549 119.226 115.700 -0.038 0.000 2.498 172 S HA 0.165 0.919 4.470 -6.192 0.000 0.314 172 S C -0.275 174.184 174.600 -0.235 0.000 1.141 172 S CA -0.512 57.652 58.200 -0.059 0.000 1.087 172 S CB -0.485 62.782 63.200 0.113 0.000 1.178 172 S HN 0.515 nan 8.310 nan 0.000 0.533 173 Y N 2.268 122.484 120.300 -0.141 0.000 2.486 173 Y HA 0.216 1.051 4.550 -6.192 0.000 0.348 173 Y C 0.121 175.871 175.900 -0.250 0.000 1.000 173 Y CA -0.647 57.385 58.100 -0.114 0.000 1.253 173 Y CB -0.005 38.434 38.460 -0.035 0.000 1.140 173 Y HN 0.508 nan 8.280 nan 0.000 0.526 174 F N 3.606 123.422 119.950 -0.223 0.000 2.515 174 F HA 0.229 1.041 4.527 -6.192 0.000 0.353 174 F C -0.015 175.742 175.800 -0.073 0.000 1.213 174 F CA -0.672 57.048 58.000 -0.466 0.000 1.194 174 F CB -0.255 38.163 39.000 -0.971 0.000 1.488 174 F HN 0.106 nan 8.300 nan 0.000 0.619 175 V N 2.150 122.215 119.914 0.251 0.000 2.583 175 V HA 0.131 0.536 4.120 -6.192 0.000 0.287 175 V C 0.425 176.773 176.094 0.423 0.000 1.051 175 V CA -1.127 61.362 62.300 0.315 0.000 1.010 175 V CB 0.814 32.807 31.823 0.284 0.000 0.988 175 V HN 0.728 nan 8.190 nan 0.000 0.478 176 E N 2.058 122.445 120.200 0.311 0.000 2.246 176 E HA -0.228 0.407 4.350 -6.192 0.000 0.211 176 E C -1.322 175.359 176.600 0.134 0.000 1.278 176 E CA 0.454 56.971 56.400 0.194 0.000 0.694 176 E CB -1.006 28.800 29.700 0.177 0.000 1.166 176 E HN 0.661 nan 8.360 nan 0.000 0.370 177 Y N -0.027 120.306 120.300 0.054 0.000 2.331 177 Y HA 0.388 1.222 4.550 -6.193 0.000 0.334 177 Y C -0.121 175.805 175.900 0.043 0.000 0.960 177 Y CA -1.004 57.133 58.100 0.061 0.000 1.130 177 Y CB 1.026 39.532 38.460 0.076 0.000 1.164 177 Y HN 0.196 nan 8.280 nan 0.000 0.458 178 F N 3.671 123.633 119.950 0.021 0.000 2.413 178 F HA 0.611 1.423 4.527 -6.193 0.000 0.359 178 F C 0.431 176.240 175.800 0.016 0.000 1.122 178 F CA -0.733 57.263 58.000 -0.006 0.000 1.160 178 F CB 0.323 39.284 39.000 -0.066 0.000 1.146 178 F HN 0.603 nan 8.300 nan 0.000 0.514 179 A N 7.264 130.023 122.820 -0.102 0.000 2.409 179 A HA 0.370 0.974 4.320 -6.192 0.000 0.267 179 A C 0.375 178.002 177.584 0.073 0.000 1.127 179 A CA -0.336 51.682 52.037 -0.031 0.000 0.795 179 A CB 0.290 19.213 19.000 -0.129 0.000 1.061 179 A HN 1.031 nan 8.150 nan 0.000 0.502 180 L N 1.399 122.701 121.223 0.132 0.000 2.185 180 L HA 0.257 0.882 4.340 -6.192 0.000 0.198 180 L C 0.362 177.273 176.870 0.068 0.000 1.079 180 L CA 0.592 55.523 54.840 0.153 0.000 0.780 180 L CB -0.027 42.090 42.059 0.096 0.000 0.955 180 L HN 0.574 nan 8.230 nan 0.000 0.462 181 D N -1.127 119.289 120.400 0.026 0.000 2.583 181 D HA 0.367 1.291 4.640 -6.192 0.000 0.248 181 D C -1.416 174.877 176.300 -0.013 0.000 1.209 181 D CA -0.525 53.478 54.000 0.004 0.000 0.848 181 D CB 2.966 43.768 40.800 0.003 0.000 1.431 181 D HN -0.275 nan 8.370 nan 0.000 0.436 182 L N 1.063 122.274 121.223 -0.020 0.000 2.367 182 L HA 0.262 0.887 4.340 -6.192 0.000 0.275 182 L C 0.188 177.047 176.870 -0.018 0.000 1.129 182 L CA -0.009 54.815 54.840 -0.026 0.000 0.839 182 L CB 0.341 42.381 42.059 -0.031 0.000 1.133 182 L HN 0.263 nan 8.230 nan 0.000 0.453 183 L N 5.119 126.332 121.223 -0.017 0.000 2.515 183 L HA 0.155 0.779 4.340 -6.192 0.000 0.281 183 L C -0.040 176.824 176.870 -0.010 0.000 1.131 183 L CA 0.232 55.066 54.840 -0.009 0.000 0.905 183 L CB 0.041 42.099 42.059 -0.003 0.000 1.246 183 L HN 0.592 nan 8.230 nan 0.000 0.463 184 M N 3.946 123.540 119.600 -0.010 0.000 2.311 184 M HA 0.382 1.147 4.480 -6.192 0.000 0.325 184 M C -0.814 175.481 176.300 -0.009 0.000 1.061 184 M CA -0.179 55.114 55.300 -0.012 0.000 0.957 184 M CB 1.772 34.364 32.600 -0.014 0.000 1.646 184 M HN 0.341 nan 8.290 nan 0.000 0.434 185 E N 3.136 123.331 120.200 -0.009 0.000 2.274 185 E HA 0.382 1.016 4.350 -6.192 0.000 0.269 185 E C -0.910 175.685 176.600 -0.010 0.000 0.891 185 E CA -0.261 56.135 56.400 -0.007 0.000 0.784 185 E CB 0.720 30.418 29.700 -0.004 0.000 1.225 185 E HN 0.765 nan 8.360 nan 0.000 0.412 186 N N 3.457 122.151 118.700 -0.010 0.000 2.725 186 N HA -0.234 0.790 4.740 -6.192 0.000 0.251 186 N C 0.506 176.006 175.510 -0.015 0.000 1.031 186 N CA 1.353 54.396 53.050 -0.012 0.000 0.720 186 N CB -1.152 37.328 38.487 -0.011 0.000 0.930 186 N HN 1.025 nan 8.380 nan 0.000 0.543 187 G N -0.623 108.168 108.800 -0.016 0.000 2.166 187 G HA2 -0.321 -0.076 3.960 -6.192 0.000 0.260 187 G HA3 -0.321 -0.076 3.960 -6.192 0.000 0.260 187 G C -0.233 174.651 174.900 -0.027 0.000 0.986 187 G CA 0.913 46.001 45.100 -0.020 0.000 0.683 187 G HN 0.630 nan 8.290 nan 0.000 0.527 188 E N -0.804 119.381 120.200 -0.024 0.000 2.234 188 E HA 0.448 1.082 4.350 -6.192 0.000 0.266 188 E C -0.220 176.366 176.600 -0.023 0.000 0.877 188 E CA -0.826 55.558 56.400 -0.027 0.000 0.758 188 E CB 2.042 31.729 29.700 -0.021 0.000 1.170 188 E HN 0.212 nan 8.360 nan 0.000 0.415 189 C N 3.193 122.475 119.300 -0.030 0.000 2.585 189 C HA 0.240 0.985 4.460 -6.192 0.000 0.406 189 C C 1.191 176.175 174.990 -0.010 0.000 1.312 189 C CA -0.154 58.850 59.018 -0.024 0.000 1.924 189 C CB -0.529 27.191 27.740 -0.033 0.000 2.578 189 C HN 0.759 nan 8.230 nan 0.000 0.580 190 R N 3.174 123.671 120.500 -0.005 0.000 2.419 190 R HA 0.346 0.970 4.340 -6.192 0.000 0.235 190 R C 0.818 177.124 176.300 0.009 0.000 0.899 190 R CA 0.780 56.884 56.100 0.007 0.000 1.048 190 R CB 0.346 30.651 30.300 0.009 0.000 1.182 190 R HN 1.015 nan 8.270 nan 0.000 0.544 191 G N -0.095 108.702 108.800 -0.005 0.000 2.441 191 G HA2 0.151 0.395 3.960 -6.192 0.000 0.222 191 G HA3 0.151 0.395 3.960 -6.192 0.000 0.222 191 G C -1.764 173.114 174.900 -0.037 0.000 1.254 191 G CA -0.450 44.639 45.100 -0.018 0.000 0.959 191 G HN -0.086 nan 8.290 nan 0.000 0.474 192 V N 0.494 120.377 119.914 -0.051 0.000 2.760 192 V HA 0.657 1.061 4.120 -6.192 0.000 0.309 192 V C -0.472 175.603 176.094 -0.032 0.000 1.077 192 V CA -0.572 61.694 62.300 -0.057 0.000 0.910 192 V CB 1.866 33.628 31.823 -0.102 0.000 1.008 192 V HN 0.869 nan 8.190 nan 0.000 0.424 193 I N 3.262 123.828 120.570 -0.007 0.000 2.353 193 I HA 0.809 1.264 4.170 -6.192 0.000 0.293 193 I C 0.146 176.288 176.117 0.041 0.000 0.992 193 I CA -0.086 61.228 61.300 0.023 0.000 1.268 193 I CB 1.146 39.157 38.000 0.017 0.000 1.387 193 I HN 0.890 nan 8.210 nan 0.000 0.478 194 A N 7.160 130.034 122.820 0.091 0.000 2.486 194 A HA 0.604 1.208 4.320 -6.192 0.000 0.300 194 A C -1.541 176.172 177.584 0.215 0.000 1.048 194 A CA -0.613 51.511 52.037 0.145 0.000 0.696 194 A CB 1.526 20.600 19.000 0.124 0.000 1.278 194 A HN 0.680 nan 8.150 nan 0.000 0.405 195 L N 2.225 123.557 121.223 0.181 0.000 2.305 195 L HA 0.566 1.190 4.340 -6.192 0.000 0.281 195 L C 0.012 176.905 176.870 0.038 0.000 1.085 195 L CA -0.279 54.626 54.840 0.108 0.000 0.813 195 L CB 0.884 42.956 42.059 0.023 0.000 1.157 195 L HN 0.782 nan 8.230 nan 0.000 0.436 196 C N 6.653 125.916 119.300 -0.062 0.000 2.349 196 C HA 0.335 1.080 4.460 -6.192 0.000 0.348 196 C C 1.747 176.521 174.990 -0.360 0.000 1.223 196 C CA -0.618 58.069 59.018 -0.551 0.000 1.746 196 C CB -1.440 26.065 27.740 -0.393 0.000 2.360 196 C HN 0.977 nan 8.230 nan 0.000 0.533 197 I N 3.343 123.645 120.570 -0.447 0.000 2.394 197 I HA -0.117 0.338 4.170 -6.192 0.000 0.251 197 I C 2.538 178.382 176.117 -0.455 0.000 1.136 197 I CA 1.230 62.222 61.300 -0.514 0.000 1.425 197 I CB -0.393 37.110 38.000 -0.828 0.000 1.079 197 I HN 0.781 nan 8.210 nan 0.000 0.425 198 E N 0.997 121.034 120.200 -0.272 0.000 2.204 198 E HA -0.242 0.393 4.350 -6.192 0.000 0.195 198 E C 0.597 177.247 176.600 0.083 0.000 0.990 198 E CA 1.556 57.974 56.400 0.031 0.000 0.821 198 E CB 0.167 29.930 29.700 0.105 0.000 0.750 198 E HN 0.645 nan 8.360 nan 0.000 0.477 199 D N -3.028 117.384 120.400 0.020 0.000 2.563 199 D HA 0.103 1.028 4.640 -6.192 0.000 0.256 199 D C 0.976 177.301 176.300 0.042 0.000 1.400 199 D CA 0.564 54.599 54.000 0.059 0.000 0.800 199 D CB 0.135 40.989 40.800 0.090 0.000 1.145 199 D HN 0.180 nan 8.370 nan 0.000 0.501 200 G N 0.871 109.673 108.800 0.004 0.000 2.212 200 G HA2 -0.320 -0.075 3.960 -6.192 0.000 0.266 200 G HA3 -0.320 -0.075 3.960 -6.192 0.000 0.266 200 G C 0.545 175.490 174.900 0.075 0.000 0.978 200 G CA 0.694 45.809 45.100 0.025 0.000 0.632 200 G HN 0.984 nan 8.290 nan 0.000 0.537 201 S N -0.435 115.308 115.700 0.071 0.000 2.600 201 S HA 0.679 1.434 4.470 -6.192 0.000 0.265 201 S C 0.143 174.753 174.600 0.017 0.000 1.325 201 S CA -0.319 57.910 58.200 0.048 0.000 1.002 201 S CB 1.785 64.994 63.200 0.016 0.000 0.921 201 S HN 0.612 nan 8.310 nan 0.000 0.554 202 I N 2.033 122.556 120.570 -0.078 0.000 2.406 202 I HA 0.344 0.799 4.170 -6.192 0.000 0.290 202 I C -0.250 175.781 176.117 -0.142 0.000 0.999 202 I CA -0.508 60.773 61.300 -0.031 0.000 1.124 202 I CB 1.325 39.315 38.000 -0.016 0.000 1.289 202 I HN 0.657 nan 8.210 nan 0.000 0.441 203 H N 6.101 125.284 119.070 0.189 0.000 2.489 203 H HA 0.439 1.279 4.556 -6.192 0.000 0.343 203 H C -0.622 174.791 175.328 0.141 0.000 1.086 203 H CA -0.868 55.322 56.048 0.236 0.000 1.198 203 H CB 1.853 31.857 29.762 0.403 0.000 1.490 203 H HN 0.364 nan 8.280 nan 0.000 0.504 204 R N 3.241 123.877 120.500 0.226 0.000 2.287 204 R HA 0.289 0.914 4.340 -6.192 0.000 0.327 204 R C -0.113 176.289 176.300 0.168 0.000 1.109 204 R CA -0.320 55.861 56.100 0.135 0.000 1.013 204 R CB 0.064 30.413 30.300 0.082 0.000 1.126 204 R HN 0.451 nan 8.270 nan 0.000 0.503 205 I N 4.918 125.532 120.570 0.074 0.000 2.269 205 I HA 0.170 0.625 4.170 -6.192 0.000 0.293 205 I C 0.538 176.677 176.117 0.037 0.000 1.106 205 I CA -0.343 60.975 61.300 0.030 0.000 1.248 205 I CB 0.220 38.010 38.000 -0.350 0.000 1.444 205 I HN 0.358 nan 8.210 nan 0.000 0.497 206 R N 5.552 126.126 120.500 0.122 0.000 2.368 206 R HA 0.914 1.538 4.340 -6.192 0.000 0.302 206 R C -0.906 175.466 176.300 0.120 0.000 1.002 206 R CA -0.648 55.505 56.100 0.088 0.000 0.929 206 R CB 1.736 32.081 30.300 0.075 0.000 1.073 206 R HN 0.534 nan 8.270 nan 0.000 0.464 207 A N 2.495 125.359 122.820 0.074 0.000 2.574 207 A HA 0.325 0.929 4.320 -6.192 0.000 0.297 207 A C 0.351 177.967 177.584 0.054 0.000 1.062 207 A CA -0.955 51.133 52.037 0.086 0.000 0.686 207 A CB 1.870 20.915 19.000 0.074 0.000 1.285 207 A HN 0.952 nan 8.150 nan 0.000 0.403 208 R N 0.452 120.991 120.500 0.065 0.000 2.117 208 R HA -0.103 0.522 4.340 -6.192 0.000 0.243 208 R C -0.208 176.116 176.300 0.041 0.000 1.143 208 R CA 1.609 57.741 56.100 0.054 0.000 0.968 208 R CB 0.019 30.364 30.300 0.075 0.000 0.863 208 R HN 0.756 nan 8.270 nan 0.000 0.444 209 N N -0.490 118.224 118.700 0.023 0.000 2.225 209 N HA 0.203 1.228 4.740 -6.192 0.000 0.298 209 N C -1.526 173.986 175.510 0.003 0.000 1.076 209 N CA -0.326 52.744 53.050 0.034 0.000 0.792 209 N CB 2.490 40.963 38.487 -0.024 0.000 1.498 209 N HN -0.108 nan 8.380 nan 0.000 0.474 210 T N 0.480 115.068 114.554 0.057 0.000 2.879 210 T HA 0.371 1.006 4.350 -6.192 0.000 0.290 210 T C -0.255 174.475 174.700 0.049 0.000 0.993 210 T CA -0.489 61.613 62.100 0.004 0.000 0.975 210 T CB 1.682 70.539 68.868 -0.017 0.000 0.981 210 T HN 0.069 nan 8.240 nan 0.000 0.439 211 V N 3.697 123.595 119.914 -0.026 0.000 2.370 211 V HA 0.420 0.825 4.120 -6.192 0.000 0.283 211 V C -0.063 176.008 176.094 -0.038 0.000 1.023 211 V CA -0.781 61.511 62.300 -0.012 0.000 0.857 211 V CB 1.644 33.409 31.823 -0.095 0.000 0.985 211 V HN 0.726 nan 8.190 nan 0.000 0.443 212 V N 4.473 124.376 119.914 -0.018 0.000 2.350 212 V HA 0.683 1.088 4.120 -6.192 0.000 0.276 212 V C 0.584 176.659 176.094 -0.031 0.000 1.028 212 V CA -0.005 62.270 62.300 -0.041 0.000 0.860 212 V CB 1.302 33.098 31.823 -0.046 0.000 0.990 212 V HN 0.996 nan 8.190 nan 0.000 0.453 213 A N 2.895 125.691 122.820 -0.039 0.000 3.308 213 A HA 0.421 1.026 4.320 -6.192 0.000 0.275 213 A C 0.945 178.512 177.584 -0.028 0.000 0.950 213 A CA 0.281 52.305 52.037 -0.021 0.000 0.987 213 A CB 0.328 19.323 19.000 -0.008 0.000 1.146 213 A HN 0.819 nan 8.150 nan 0.000 0.488 214 T N -2.647 111.882 114.554 -0.042 0.000 3.107 214 T HA 0.454 1.089 4.350 -6.192 0.000 0.249 214 T C 1.210 175.885 174.700 -0.041 0.000 1.096 214 T CA 1.024 63.091 62.100 -0.055 0.000 1.012 214 T CB -0.315 68.504 68.868 -0.082 0.000 0.977 214 T HN 2.138 nan 8.240 nan 0.000 0.527 215 G N 0.380 109.161 108.800 -0.032 0.000 2.698 215 G HA2 0.154 0.399 3.960 -6.192 0.000 0.233 215 G HA3 0.154 0.399 3.960 -6.192 0.000 0.233 215 G C 0.259 175.118 174.900 -0.068 0.000 1.352 215 G CA -0.508 44.560 45.100 -0.053 0.000 0.879 215 G HN 0.928 nan 8.290 nan 0.000 0.567 216 G N -1.667 107.039 108.800 -0.156 0.000 2.553 216 G HA2 0.636 0.881 3.960 -6.192 0.000 0.278 216 G HA3 0.636 0.881 3.960 -6.192 0.000 0.278 216 G C 0.163 175.041 174.900 -0.036 0.000 1.349 216 G CA 0.475 45.458 45.100 -0.195 0.000 1.037 216 G HN 1.965 nan 8.290 nan 0.000 0.508 217 Y N -2.926 117.282 120.300 -0.153 0.000 2.685 217 Y HA 0.500 1.332 4.550 -6.196 0.000 0.284 217 Y C 1.393 177.266 175.900 -0.046 0.000 0.944 217 Y CA -0.524 57.527 58.100 -0.081 0.000 1.107 217 Y CB 0.069 38.502 38.460 -0.045 0.000 1.188 217 Y HN 0.500 nan 8.280 nan 0.000 0.635 218 G N 1.147 109.828 108.800 -0.197 0.000 2.470 218 G HA2 -0.168 0.077 3.960 -6.192 0.000 0.220 218 G HA3 -0.168 0.077 3.960 -6.192 0.000 0.220 218 G C 1.574 176.477 174.900 0.006 0.000 1.121 218 G CA 0.203 45.210 45.100 -0.156 0.000 0.766 218 G HN 0.257 nan 8.290 nan 0.000 0.553 219 R N 0.736 121.252 120.500 0.027 0.000 2.328 219 R HA -0.003 0.622 4.340 -6.192 0.000 0.200 219 R C 2.450 178.815 176.300 0.109 0.000 0.983 219 R CA 1.102 57.238 56.100 0.061 0.000 1.062 219 R CB -0.775 29.561 30.300 0.060 0.000 0.956 219 R HN 0.575 nan 8.270 nan 0.000 0.479 220 T N -3.108 111.532 114.554 0.144 0.000 2.985 220 T HA -0.029 0.606 4.350 -6.192 0.000 0.266 220 T C 0.804 175.480 174.700 -0.041 0.000 1.076 220 T CA 0.695 62.837 62.100 0.071 0.000 1.135 220 T CB -0.117 68.812 68.868 0.102 0.000 0.890 220 T HN 0.017 nan 8.240 nan 0.000 0.480 221 Y N -0.415 119.929 120.300 0.074 0.000 2.403 221 Y HA 0.499 1.331 4.550 -6.197 0.000 0.323 221 Y C 0.847 176.828 175.900 0.135 0.000 1.226 221 Y CA -1.980 56.183 58.100 0.104 0.000 1.235 221 Y CB 0.801 39.286 38.460 0.042 0.000 1.248 221 Y HN -0.034 nan 8.280 nan 0.000 0.489 222 F N 0.179 120.252 119.950 0.204 0.000 2.456 222 F HA 0.082 0.893 4.527 -6.194 0.000 0.298 222 F C 0.871 176.727 175.800 0.093 0.000 1.104 222 F CA 0.733 58.806 58.000 0.121 0.000 1.435 222 F CB 0.232 39.296 39.000 0.107 0.000 1.078 222 F HN 0.254 nan 8.300 nan 0.000 0.546 223 S N 1.145 116.851 115.700 0.010 0.000 2.718 223 S HA 0.538 1.293 4.470 -6.192 0.000 0.294 223 S C -0.741 173.808 174.600 -0.086 0.000 1.157 223 S CA -0.626 57.497 58.200 -0.127 0.000 1.121 223 S CB -0.382 62.813 63.200 -0.008 0.000 1.015 223 S HN 0.399 nan 8.310 nan 0.000 0.479 224 C N 2.542 121.758 119.300 -0.141 0.000 2.994 224 C HA 0.793 1.538 4.460 -6.192 0.000 0.304 224 C C 1.686 176.596 174.990 -0.133 0.000 1.273 224 C CA 0.011 58.945 59.018 -0.140 0.000 1.537 224 C CB 0.738 28.396 27.740 -0.136 0.000 2.001 224 C HN 0.758 nan 8.230 nan 0.000 0.471 225 T N -0.470 114.029 114.554 -0.091 0.000 3.043 225 T HA 0.116 0.750 4.350 -6.192 0.000 0.263 225 T C 0.829 175.520 174.700 -0.015 0.000 1.094 225 T CA 0.999 63.071 62.100 -0.048 0.000 1.127 225 T CB -0.665 68.238 68.868 0.058 0.000 0.905 225 T HN 1.238 nan 8.240 nan 0.000 0.490 226 S N 1.600 117.250 115.700 -0.083 0.000 2.600 226 S HA 0.662 1.416 4.470 -6.192 0.000 0.265 226 S C 0.615 175.183 174.600 -0.054 0.000 1.325 226 S CA -0.651 57.476 58.200 -0.122 0.000 1.002 226 S CB 0.535 63.478 63.200 -0.428 0.000 0.921 226 S HN 0.705 nan 8.310 nan 0.000 0.554 227 A N 0.877 123.743 122.820 0.076 0.000 2.366 227 A HA 0.218 0.823 4.320 -6.192 0.000 0.250 227 A C 1.325 178.903 177.584 -0.009 0.000 1.099 227 A CA -0.243 51.853 52.037 0.098 0.000 0.794 227 A CB -0.484 18.665 19.000 0.249 0.000 1.056 227 A HN 1.018 nan 8.150 nan 0.000 0.499 228 H N 0.093 119.201 119.070 0.064 0.000 2.456 228 H HA -0.115 0.726 4.556 -6.192 0.000 0.296 228 H C 2.163 177.532 175.328 0.069 0.000 1.079 228 H CA 2.177 58.261 56.048 0.061 0.000 1.322 228 H CB -0.186 29.619 29.762 0.073 0.000 1.388 228 H HN 0.855 nan 8.280 nan 0.000 0.538 229 T N -2.217 112.447 114.554 0.183 0.000 3.067 229 T HA 0.025 0.660 4.350 -6.192 0.000 0.257 229 T C 1.287 176.030 174.700 0.072 0.000 1.105 229 T CA -0.038 62.145 62.100 0.138 0.000 1.104 229 T CB -0.120 68.828 68.868 0.134 0.000 0.925 229 T HN -0.060 nan 8.240 nan 0.000 0.498 230 S N 3.136 118.846 115.700 0.017 0.000 3.355 230 S HA 0.210 0.965 4.470 -6.192 0.000 0.293 230 S C 1.111 175.717 174.600 0.009 0.000 1.197 230 S CA 0.077 58.247 58.200 -0.051 0.000 1.117 230 S CB -0.510 62.568 63.200 -0.203 0.000 1.587 230 S HN 0.769 nan 8.310 nan 0.000 0.536 231 T N -1.507 113.079 114.554 0.053 0.000 3.200 231 T HA 0.398 1.033 4.350 -6.192 0.000 0.284 231 T C 0.968 175.728 174.700 0.100 0.000 1.009 231 T CA 0.012 62.170 62.100 0.098 0.000 0.907 231 T CB 0.196 69.135 68.868 0.119 0.000 1.120 231 T HN 0.658 nan 8.240 nan 0.000 0.534 232 G N 2.220 111.078 108.800 0.098 0.000 2.352 232 G HA2 -0.204 0.041 3.960 -6.192 0.000 0.283 232 G HA3 -0.204 0.041 3.960 -6.192 0.000 0.283 232 G C 0.270 175.159 174.900 -0.018 0.000 0.946 232 G CA 0.301 45.437 45.100 0.061 0.000 1.317 232 G HN 0.493 nan 8.290 nan 0.000 0.478 233 D N 0.302 120.682 120.400 -0.034 0.000 2.201 233 D HA -0.006 0.919 4.640 -6.192 0.000 0.209 233 D C 2.478 178.736 176.300 -0.070 0.000 0.961 233 D CA 1.248 55.217 54.000 -0.052 0.000 0.861 233 D CB -0.526 40.186 40.800 -0.147 0.000 0.997 233 D HN 0.523 nan 8.370 nan 0.000 0.486 234 G N 1.041 109.791 108.800 -0.083 0.000 2.402 234 G HA2 -0.240 0.005 3.960 -6.192 0.000 0.216 234 G HA3 -0.240 0.005 3.960 -6.192 0.000 0.216 234 G C 1.712 176.567 174.900 -0.076 0.000 1.162 234 G CA 1.863 46.916 45.100 -0.078 0.000 0.777 234 G HN 0.350 nan 8.290 nan 0.000 0.539 235 T N 0.103 114.606 114.554 -0.085 0.000 2.803 235 T HA 0.049 0.684 4.350 -6.192 0.000 0.269 235 T C 2.527 177.154 174.700 -0.120 0.000 1.052 235 T CA 1.715 63.744 62.100 -0.118 0.000 1.136 235 T CB -0.334 68.428 68.868 -0.176 0.000 0.864 235 T HN 0.335 nan 8.240 nan 0.000 0.467 236 A N 1.618 124.381 122.820 -0.096 0.000 1.898 236 A HA 0.231 0.836 4.320 -6.192 0.000 0.214 236 A C 2.434 179.993 177.584 -0.041 0.000 1.183 236 A CA 1.258 53.256 52.037 -0.064 0.000 0.622 236 A CB -0.710 18.272 19.000 -0.029 0.000 0.824 236 A HN 0.497 nan 8.150 nan 0.000 0.444 237 M N -0.582 118.995 119.600 -0.038 0.000 2.213 237 M HA -0.119 0.645 4.480 -6.192 0.000 0.263 237 M C 1.959 178.236 176.300 -0.038 0.000 1.062 237 M CA 1.088 56.370 55.300 -0.029 0.000 1.105 237 M CB -0.372 32.207 32.600 -0.035 0.000 1.385 237 M HN 0.232 nan 8.290 nan 0.000 0.417 238 V N -0.001 119.880 119.914 -0.056 0.000 2.323 238 V HA -0.213 0.192 4.120 -6.192 0.000 0.244 238 V C 2.297 178.357 176.094 -0.058 0.000 1.041 238 V CA 2.315 64.578 62.300 -0.062 0.000 1.025 238 V CB -0.991 30.782 31.823 -0.083 0.000 0.656 238 V HN 0.522 nan 8.190 nan 0.000 0.451 239 T N -0.661 113.852 114.554 -0.068 0.000 2.915 239 T HA -0.129 0.506 4.350 -6.192 0.000 0.269 239 T C 1.896 176.584 174.700 -0.020 0.000 1.071 239 T CA 0.818 62.882 62.100 -0.060 0.000 1.132 239 T CB -0.243 68.573 68.868 -0.087 0.000 0.878 239 T HN 0.369 nan 8.240 nan 0.000 0.479 240 R N 0.898 121.389 120.500 -0.015 0.000 2.280 240 R HA 0.232 0.857 4.340 -6.192 0.000 0.207 240 R C 2.281 178.582 176.300 0.002 0.000 1.043 240 R CA 0.754 56.855 56.100 0.002 0.000 1.006 240 R CB -0.167 30.137 30.300 0.006 0.000 0.885 240 R HN 0.404 nan 8.270 nan 0.000 0.467 241 A N -0.241 122.577 122.820 -0.004 0.000 2.275 241 A HA 0.260 0.865 4.320 -6.192 0.000 0.212 241 A C 1.368 178.962 177.584 0.017 0.000 1.201 241 A CA 0.680 52.716 52.037 -0.001 0.000 0.843 241 A CB 0.257 19.249 19.000 -0.013 0.000 0.873 241 A HN 0.375 nan 8.150 nan 0.000 0.492 242 G N -1.153 107.669 108.800 0.037 0.000 2.176 242 G HA2 -0.208 0.037 3.960 -6.192 0.000 0.253 242 G HA3 -0.208 0.037 3.960 -6.192 0.000 0.253 242 G C 0.086 175.092 174.900 0.176 0.000 0.979 242 G CA 0.297 45.455 45.100 0.098 0.000 0.641 242 G HN 0.430 nan 8.290 nan 0.000 0.530 243 L N 2.199 123.462 121.223 0.067 0.000 2.395 243 L HA 0.480 1.105 4.340 -6.192 0.000 0.269 243 L C -1.235 175.535 176.870 -0.166 0.000 1.133 243 L CA -2.149 52.703 54.840 0.019 0.000 0.812 243 L CB 0.745 42.784 42.059 -0.032 0.000 1.125 243 L HN -0.029 nan 8.230 nan 0.000 0.452 244 P HA 0.112 nan 4.420 nan 0.000 0.274 244 P C -1.161 175.907 177.300 -0.387 0.000 1.237 244 P CA -0.509 62.150 63.100 -0.735 0.000 0.793 244 P CB 1.068 32.338 31.700 -0.717 0.000 0.977 245 C N 1.326 120.405 119.300 -0.369 0.000 2.408 245 C HA 0.413 1.158 4.460 -6.192 0.000 0.321 245 C C 0.247 175.141 174.990 -0.159 0.000 1.245 245 C CA -0.161 58.727 59.018 -0.217 0.000 1.523 245 C CB 1.058 28.684 27.740 -0.189 0.000 2.178 245 C HN 0.562 nan 8.230 nan 0.000 0.488 246 Q N 1.427 121.171 119.800 -0.093 0.000 2.245 246 Q HA 0.215 0.840 4.340 -6.192 0.000 0.256 246 Q C -0.367 175.688 176.000 0.091 0.000 0.942 246 Q CA -0.098 55.690 55.803 -0.026 0.000 0.896 246 Q CB 0.856 29.542 28.738 -0.086 0.000 1.272 246 Q HN 0.790 nan 8.270 nan 0.000 0.442 247 D N 2.297 122.824 120.400 0.212 0.000 2.737 247 D HA -0.228 0.696 4.640 -6.192 0.000 0.233 247 D C 0.644 177.201 176.300 0.428 0.000 1.155 247 D CA 0.719 54.979 54.000 0.434 0.000 0.667 247 D CB -0.787 40.230 40.800 0.362 0.000 1.060 247 D HN 0.614 nan 8.370 nan 0.000 0.427 248 L N 0.255 121.628 121.223 0.250 0.000 2.275 248 L HA -0.137 0.488 4.340 -6.192 0.000 0.215 248 L C 2.545 179.555 176.870 0.234 0.000 1.119 248 L CA 1.158 56.147 54.840 0.247 0.000 0.790 248 L CB -0.310 41.828 42.059 0.131 0.000 0.919 248 L HN 0.215 nan 8.230 nan 0.000 0.443 249 E N 0.624 120.881 120.200 0.095 0.000 2.409 249 E HA -0.185 0.450 4.350 -6.192 0.000 0.198 249 E C 0.163 176.677 176.600 -0.145 0.000 1.024 249 E CA 0.532 56.885 56.400 -0.078 0.000 0.861 249 E CB -0.291 29.211 29.700 -0.330 0.000 0.788 249 E HN 0.334 nan 8.360 nan 0.000 0.521 250 F N 1.860 121.897 119.950 0.145 0.000 2.406 250 F HA 0.235 1.040 4.527 -6.203 0.000 0.358 250 F C -0.170 175.700 175.800 0.117 0.000 1.161 250 F CA -0.646 57.444 58.000 0.150 0.000 1.185 250 F CB 1.023 40.110 39.000 0.145 0.000 1.421 250 F HN -0.288 nan 8.300 nan 0.000 0.576 251 V N 3.250 123.291 119.914 0.212 0.000 2.417 251 V HA 0.270 0.675 4.120 -6.192 0.000 0.291 251 V C -0.106 176.009 176.094 0.035 0.000 1.024 251 V CA -0.992 61.324 62.300 0.026 0.000 0.861 251 V CB 1.581 33.335 31.823 -0.115 0.000 0.985 251 V HN 0.574 nan 8.190 nan 0.000 0.436 252 Q N 3.236 123.040 119.800 0.007 0.000 2.288 252 Q HA 0.410 1.035 4.340 -6.192 0.000 0.258 252 Q C -1.492 174.475 176.000 -0.056 0.000 0.957 252 Q CA -0.375 55.484 55.803 0.093 0.000 0.919 252 Q CB 0.676 29.529 28.738 0.191 0.000 1.185 252 Q HN 0.640 nan 8.270 nan 0.000 0.408 253 F N 3.246 123.196 119.950 0.001 0.000 2.350 253 F HA 0.175 0.984 4.527 -6.196 0.000 0.365 253 F C 0.220 176.019 175.800 -0.003 0.000 1.122 253 F CA -0.586 57.405 58.000 -0.015 0.000 1.139 253 F CB 0.574 39.534 39.000 -0.067 0.000 1.220 253 F HN 0.618 nan 8.300 nan 0.000 0.499 254 H N 5.402 124.491 119.070 0.031 0.000 2.929 254 H HA 0.103 0.943 4.556 -6.192 0.000 0.317 254 H C -1.708 173.600 175.328 -0.034 0.000 1.031 254 H CA -1.120 54.863 56.048 -0.109 0.000 1.466 254 H CB 1.107 30.655 29.762 -0.356 0.000 1.482 254 H HN 0.313 nan 8.280 nan 0.000 0.561 255 P HA -0.116 nan 4.420 nan 0.000 0.215 255 P C -0.154 177.217 177.300 0.117 0.000 1.157 255 P CA 1.562 64.653 63.100 -0.014 0.000 0.868 255 P CB 0.213 31.835 31.700 -0.130 0.000 0.788 256 T N -2.108 112.589 114.554 0.239 0.000 2.801 256 T HA 0.697 1.331 4.350 -6.192 0.000 0.306 256 T C 0.106 174.890 174.700 0.140 0.000 1.020 256 T CA -0.793 61.420 62.100 0.189 0.000 0.948 256 T CB 0.948 69.898 68.868 0.137 0.000 0.962 256 T HN 0.078 nan 8.240 nan 0.000 0.465 257 G N 3.063 111.913 108.800 0.084 0.000 2.682 257 G HA2 0.578 0.823 3.960 -6.192 0.000 0.300 257 G HA3 0.578 0.823 3.960 -6.192 0.000 0.300 257 G C -0.468 174.445 174.900 0.022 0.000 1.391 257 G CA -1.117 43.990 45.100 0.011 0.000 0.990 257 G HN 0.871 nan 8.290 nan 0.000 0.501 258 I N 1.994 122.552 120.570 -0.021 0.000 2.826 258 I HA -0.151 0.304 4.170 -6.192 0.000 0.295 258 I C 1.526 177.657 176.117 0.022 0.000 1.213 258 I CA -0.054 61.246 61.300 0.001 0.000 1.436 258 I CB 0.605 38.573 38.000 -0.053 0.000 1.348 258 I HN 0.715 nan 8.210 nan 0.000 0.570 259 Y N 6.669 126.913 120.300 -0.093 0.000 2.256 259 Y HA -0.174 0.661 4.550 -6.193 0.000 0.288 259 Y C 1.766 177.630 175.900 -0.061 0.000 1.155 259 Y CA 1.576 59.601 58.100 -0.125 0.000 1.203 259 Y CB -0.295 37.968 38.460 -0.328 0.000 0.980 259 Y HN 0.659 nan 8.280 nan 0.000 0.530 260 G N -0.368 108.363 108.800 -0.115 0.000 2.587 260 G HA2 -0.001 0.244 3.960 -6.192 0.000 0.197 260 G HA3 -0.001 0.244 3.960 -6.192 0.000 0.197 260 G C 1.543 176.355 174.900 -0.146 0.000 1.540 260 G CA 0.639 45.653 45.100 -0.143 0.000 0.910 260 G HN 0.480 nan 8.290 nan 0.000 0.437 261 A N -0.849 121.925 122.820 -0.076 0.000 2.235 261 A HA 0.425 1.029 4.320 -6.192 0.000 0.208 261 A C 1.902 179.365 177.584 -0.200 0.000 1.172 261 A CA 1.482 53.450 52.037 -0.115 0.000 0.786 261 A CB -0.672 18.310 19.000 -0.031 0.000 0.804 261 A HN 2.115 nan 8.150 nan 0.000 0.479 262 G N -1.875 106.809 108.800 -0.194 0.000 2.132 262 G HA2 -0.257 -0.012 3.960 -6.192 0.000 0.234 262 G HA3 -0.257 -0.012 3.960 -6.192 0.000 0.234 262 G C 0.248 175.034 174.900 -0.189 0.000 0.989 262 G CA -0.075 44.922 45.100 -0.172 0.000 0.676 262 G HN 0.629 nan 8.290 nan 0.000 0.522 263 C N -0.113 119.020 119.300 -0.278 0.000 2.689 263 C HA 0.528 1.273 4.460 -6.192 0.000 0.409 263 C C 1.242 176.113 174.990 -0.197 0.000 1.293 263 C CA -0.435 58.396 59.018 -0.312 0.000 2.136 263 C CB 0.348 27.738 27.740 -0.583 0.000 2.719 263 C HN 0.674 nan 8.230 nan 0.000 0.644 264 L N 2.736 123.859 121.223 -0.167 0.000 2.349 264 L HA 0.504 1.129 4.340 -6.192 0.000 0.275 264 L C -0.441 176.358 176.870 -0.119 0.000 1.115 264 L CA 0.421 55.161 54.840 -0.167 0.000 0.820 264 L CB 0.277 42.234 42.059 -0.171 0.000 1.135 264 L HN 0.527 nan 8.230 nan 0.000 0.445 265 I N 4.170 124.681 120.570 -0.098 0.000 2.382 265 I HA 0.231 0.686 4.170 -6.192 0.000 0.285 265 I C 0.486 176.602 176.117 -0.002 0.000 1.007 265 I CA -0.361 60.925 61.300 -0.025 0.000 1.142 265 I CB 1.514 39.526 38.000 0.019 0.000 1.289 265 I HN 0.567 nan 8.210 nan 0.000 0.453 266 T N 3.056 117.624 114.554 0.023 0.000 2.855 266 T HA -0.053 0.582 4.350 -6.192 0.000 0.322 266 T C 1.178 175.930 174.700 0.088 0.000 1.088 266 T CA 0.259 62.411 62.100 0.086 0.000 1.104 266 T CB 0.647 69.596 68.868 0.135 0.000 0.996 266 T HN 0.814 nan 8.240 nan 0.000 0.549 267 E N 1.500 121.735 120.200 0.058 0.000 2.418 267 E HA 0.021 0.656 4.350 -6.192 0.000 0.197 267 E C 1.997 178.270 176.600 -0.545 0.000 1.026 267 E CA 0.793 56.990 56.400 -0.338 0.000 0.862 267 E CB -0.638 28.678 29.700 -0.641 0.000 0.799 267 E HN 0.884 nan 8.360 nan 0.000 0.518 268 G N 0.115 108.804 108.800 -0.185 0.000 2.470 268 G HA2 -0.267 -0.022 3.960 -6.192 0.000 0.220 268 G HA3 -0.267 -0.022 3.960 -6.192 0.000 0.220 268 G C 1.538 176.428 174.900 -0.015 0.000 1.121 268 G CA 0.765 45.876 45.100 0.019 0.000 0.766 268 G HN 0.377 nan 8.290 nan 0.000 0.553 269 C N 0.004 119.288 119.300 -0.027 0.000 2.429 269 C HA 0.022 0.767 4.460 -6.192 0.000 0.277 269 C C 2.872 177.836 174.990 -0.043 0.000 1.262 269 C CA 0.696 59.705 59.018 -0.016 0.000 1.733 269 C CB -0.714 27.026 27.740 0.001 0.000 2.010 269 C HN 0.456 nan 8.230 nan 0.000 0.483 270 R N 0.218 120.656 120.500 -0.104 0.000 2.240 270 R HA 0.034 0.658 4.340 -6.192 0.000 0.203 270 R C 2.168 178.392 176.300 -0.128 0.000 1.011 270 R CA 1.003 57.035 56.100 -0.114 0.000 1.007 270 R CB -0.319 29.883 30.300 -0.164 0.000 0.911 270 R HN 0.606 nan 8.270 nan 0.000 0.468 271 G N 0.128 108.832 108.800 -0.160 0.000 2.939 271 G HA2 -0.084 0.161 3.960 -6.192 0.000 0.210 271 G HA3 -0.084 0.161 3.960 -6.192 0.000 0.210 271 G C 0.807 175.693 174.900 -0.022 0.000 1.160 271 G CA -0.043 44.985 45.100 -0.120 0.000 0.770 271 G HN 0.136 nan 8.290 nan 0.000 0.543 272 E N 0.328 120.533 120.200 0.008 0.000 2.496 272 E HA 0.249 0.884 4.350 -6.192 0.000 0.200 272 E C 1.380 178.009 176.600 0.049 0.000 1.016 272 E CA 0.255 56.687 56.400 0.053 0.000 0.962 272 E CB 0.466 30.205 29.700 0.065 0.000 1.071 272 E HN 0.364 nan 8.360 nan 0.000 0.457 273 G N 0.901 109.731 108.800 0.050 0.000 2.176 273 G HA2 -0.235 0.010 3.960 -6.192 0.000 0.232 273 G HA3 -0.235 0.010 3.960 -6.192 0.000 0.232 273 G C 0.674 175.672 174.900 0.162 0.000 0.986 273 G CA -0.222 44.939 45.100 0.101 0.000 0.643 273 G HN 0.462 nan 8.290 nan 0.000 0.522 274 G N -0.178 108.669 108.800 0.078 0.000 2.491 274 G HA2 0.504 0.749 3.960 -6.192 0.000 0.242 274 G HA3 0.504 0.749 3.960 -6.192 0.000 0.242 274 G C -0.056 174.912 174.900 0.113 0.000 1.266 274 G CA 0.010 45.165 45.100 0.093 0.000 0.844 274 G HN 0.458 nan 8.290 nan 0.000 0.571 275 I N 1.106 121.779 120.570 0.172 0.000 2.569 275 I HA 0.293 0.748 4.170 -6.192 0.000 0.296 275 I C -0.683 175.483 176.117 0.083 0.000 1.028 275 I CA -1.049 60.307 61.300 0.093 0.000 1.082 275 I CB 1.786 39.832 38.000 0.076 0.000 1.264 275 I HN 0.248 nan 8.210 nan 0.000 0.429 276 L N 7.012 128.242 121.223 0.011 0.000 2.262 276 L HA 0.526 1.151 4.340 -6.192 0.000 0.288 276 L C -0.521 176.454 176.870 0.176 0.000 1.035 276 L CA 0.136 55.015 54.840 0.066 0.000 0.820 276 L CB 0.446 42.471 42.059 -0.056 0.000 1.204 276 L HN 0.352 nan 8.230 nan 0.000 0.424 277 I N 5.156 125.926 120.570 0.333 0.000 2.433 277 I HA 0.377 0.831 4.170 -6.192 0.000 0.292 277 I C 0.084 176.433 176.117 0.387 0.000 1.001 277 I CA -0.748 60.777 61.300 0.375 0.000 1.119 277 I CB 1.581 39.724 38.000 0.237 0.000 1.289 277 I HN 0.683 nan 8.210 nan 0.000 0.438 278 N N 3.390 122.266 118.700 0.294 0.000 2.379 278 N HA 0.103 1.128 4.740 -6.192 0.000 0.284 278 N C 1.051 176.555 175.510 -0.010 0.000 1.330 278 N CA -0.182 52.838 53.050 -0.051 0.000 0.933 278 N CB -0.210 38.053 38.487 -0.373 0.000 1.078 278 N HN 0.463 nan 8.380 nan 0.000 0.490 279 S N -1.568 114.073 115.700 -0.097 0.000 2.357 279 S HA -0.126 0.629 4.470 -6.192 0.000 0.221 279 S C 1.646 176.245 174.600 -0.001 0.000 1.031 279 S CA 0.955 59.115 58.200 -0.067 0.000 0.982 279 S CB -0.461 62.670 63.200 -0.116 0.000 0.853 279 S HN 0.599 nan 8.310 nan 0.000 0.458 280 Q N -0.464 119.335 119.800 -0.003 0.000 2.297 280 Q HA 0.080 0.705 4.340 -6.192 0.000 0.204 280 Q C 1.202 177.224 176.000 0.037 0.000 0.962 280 Q CA 0.980 56.790 55.803 0.013 0.000 0.879 280 Q CB -0.027 28.715 28.738 0.007 0.000 0.947 280 Q HN 0.762 nan 8.270 nan 0.000 0.462 281 G N 0.777 109.616 108.800 0.065 0.000 2.192 281 G HA2 -0.234 0.011 3.960 -6.192 0.000 0.193 281 G HA3 -0.234 0.011 3.960 -6.192 0.000 0.193 281 G C -0.212 174.743 174.900 0.091 0.000 0.999 281 G CA 0.078 45.224 45.100 0.076 0.000 0.659 281 G HN 0.393 nan 8.290 nan 0.000 0.503 282 E N 0.777 121.042 120.200 0.109 0.000 2.344 282 E HA 0.282 0.916 4.350 -6.192 0.000 0.270 282 E C 0.688 177.414 176.600 0.210 0.000 1.021 282 E CA -0.633 55.845 56.400 0.131 0.000 0.887 282 E CB 0.299 30.075 29.700 0.127 0.000 0.997 282 E HN 0.325 nan 8.360 nan 0.000 0.429 283 R N 5.382 125.961 120.500 0.132 0.000 2.853 283 R HA -0.000 0.624 4.340 -6.192 0.000 0.238 283 R C 0.749 177.102 176.300 0.089 0.000 1.538 283 R CA -0.017 56.134 56.100 0.085 0.000 1.166 283 R CB -0.563 29.743 30.300 0.009 0.000 1.201 283 R HN 0.577 nan 8.270 nan 0.000 0.606 284 F N 1.239 121.241 119.950 0.086 0.000 2.407 284 F HA 0.032 0.843 4.527 -6.194 0.000 0.299 284 F C 0.811 176.746 175.800 0.224 0.000 1.097 284 F CA 0.044 58.130 58.000 0.145 0.000 1.422 284 F CB 0.015 39.135 39.000 0.199 0.000 1.067 284 F HN 0.208 nan 8.300 nan 0.000 0.539 285 M N 1.653 120.946 119.600 -0.512 0.000 2.915 285 M HA 0.064 0.829 4.480 -6.192 0.000 0.206 285 M C 0.790 177.041 176.300 -0.081 0.000 1.271 285 M CA 0.667 55.782 55.300 -0.309 0.000 1.122 285 M CB -1.343 30.980 32.600 -0.462 0.000 1.655 285 M HN 0.566 nan 8.290 nan 0.000 0.434 286 E N -0.826 119.375 120.200 0.002 0.000 2.633 286 E HA 0.069 0.704 4.350 -6.192 0.000 0.214 286 E C 1.718 178.328 176.600 0.016 0.000 0.898 286 E CA -0.017 56.389 56.400 0.009 0.000 1.422 286 E CB 0.768 30.465 29.700 -0.005 0.000 1.398 286 E HN 0.398 nan 8.360 nan 0.000 0.752 287 R N -0.634 119.876 120.500 0.017 0.000 2.127 287 R HA 0.011 0.635 4.340 -6.192 0.000 0.217 287 R C 1.083 177.275 176.300 -0.179 0.000 1.074 287 R CA 1.096 57.135 56.100 -0.102 0.000 0.991 287 R CB 0.180 30.376 30.300 -0.173 0.000 0.895 287 R HN 0.120 nan 8.270 nan 0.000 0.450 288 Y N -0.411 119.924 120.300 0.059 0.000 2.217 288 Y HA 0.328 1.162 4.550 -6.193 0.000 0.286 288 Y C 0.816 176.742 175.900 0.043 0.000 1.117 288 Y CA 0.312 58.450 58.100 0.063 0.000 1.113 288 Y CB 0.035 38.547 38.460 0.086 0.000 1.053 288 Y HN -0.016 nan 8.280 nan 0.000 0.501 289 A N 1.229 124.173 122.820 0.206 0.000 2.253 289 A HA 0.396 1.001 4.320 -6.192 0.000 0.316 289 A C -2.197 175.432 177.584 0.074 0.000 1.327 289 A CA -1.381 50.730 52.037 0.124 0.000 0.917 289 A CB 0.248 19.310 19.000 0.102 0.000 1.162 289 A HN 0.143 nan 8.150 nan 0.000 0.535 290 P HA 0.010 nan 4.420 nan 0.000 0.218 290 P C 1.413 178.737 177.300 0.039 0.000 1.151 290 P CA 0.530 63.653 63.100 0.039 0.000 0.850 290 P CB 0.138 31.857 31.700 0.032 0.000 0.801 291 V N 0.687 120.634 119.914 0.055 0.000 2.239 291 V HA -0.091 0.314 4.120 -6.192 0.000 0.242 291 V C 2.509 178.644 176.094 0.069 0.000 1.038 291 V CA 2.511 64.845 62.300 0.056 0.000 1.002 291 V CB -1.780 30.077 31.823 0.056 0.000 0.641 291 V HN 0.062 nan 8.190 nan 0.000 0.449 292 A N -2.093 120.792 122.820 0.108 0.000 2.147 292 A HA 0.162 0.766 4.320 -6.192 0.000 0.211 292 A C 1.213 178.812 177.584 0.026 0.000 1.160 292 A CA 0.652 52.747 52.037 0.098 0.000 0.781 292 A CB -0.018 19.100 19.000 0.197 0.000 0.842 292 A HN 0.561 nan 8.150 nan 0.000 0.475 293 K N -1.129 119.285 120.400 0.022 0.000 1.909 293 K HA -0.225 0.379 4.320 -6.192 0.000 0.242 293 K C -0.078 176.477 176.600 -0.075 0.000 1.617 293 K CA 1.423 57.696 56.287 -0.023 0.000 0.522 293 K CB -1.124 31.358 32.500 -0.031 0.000 0.770 293 K HN 0.527 nan 8.250 nan 0.000 0.792 294 D N 0.833 121.165 120.400 -0.113 0.000 2.348 294 D HA 0.080 1.004 4.640 -6.192 0.000 0.248 294 D C 0.514 176.722 176.300 -0.154 0.000 1.142 294 D CA 0.411 54.316 54.000 -0.158 0.000 0.904 294 D CB 0.041 40.737 40.800 -0.173 0.000 0.901 294 D HN 0.232 nan 8.370 nan 0.000 0.523 295 L N -0.059 121.080 121.223 -0.139 0.000 3.255 295 L HA 0.552 1.176 4.340 -6.192 0.000 0.293 295 L C 0.078 176.828 176.870 -0.200 0.000 1.302 295 L CA -0.692 54.044 54.840 -0.173 0.000 0.977 295 L CB 0.054 42.030 42.059 -0.138 0.000 1.390 295 L HN 0.100 nan 8.230 nan 0.000 0.588 296 A N -1.181 121.509 122.820 -0.217 0.000 2.274 296 A HA 0.730 1.335 4.320 -6.192 0.000 0.297 296 A C 0.487 177.827 177.584 -0.408 0.000 1.191 296 A CA -0.362 51.481 52.037 -0.323 0.000 0.889 296 A CB 0.279 19.188 19.000 -0.152 0.000 1.294 296 A HN 0.271 nan 8.150 nan 0.000 0.506 297 S N -0.255 115.122 115.700 -0.538 0.000 2.563 297 S HA 0.078 0.832 4.470 -6.192 0.000 0.284 297 S C 1.482 175.950 174.600 -0.220 0.000 1.331 297 S CA -0.343 57.634 58.200 -0.371 0.000 1.047 297 S CB 0.397 63.426 63.200 -0.284 0.000 0.859 297 S HN 0.592 nan 8.310 nan 0.000 0.514 298 R N 1.592 121.981 120.500 -0.186 0.000 2.127 298 R HA -0.141 0.483 4.340 -6.192 0.000 0.238 298 R C 1.694 177.929 176.300 -0.108 0.000 1.134 298 R CA 1.700 57.693 56.100 -0.178 0.000 0.975 298 R CB -0.400 29.802 30.300 -0.164 0.000 0.865 298 R HN 0.791 nan 8.270 nan 0.000 0.447 299 D N -0.015 120.348 120.400 -0.061 0.000 2.234 299 D HA -0.074 0.850 4.640 -6.192 0.000 0.205 299 D C 1.774 178.032 176.300 -0.070 0.000 0.962 299 D CA 0.677 54.657 54.000 -0.033 0.000 0.855 299 D CB -0.207 40.604 40.800 0.019 0.000 0.951 299 D HN 0.053 nan 8.370 nan 0.000 0.500 300 V N 0.948 120.825 119.914 -0.063 0.000 2.407 300 V HA -0.156 0.248 4.120 -6.192 0.000 0.245 300 V C 2.925 178.964 176.094 -0.091 0.000 1.041 300 V CA 0.954 63.225 62.300 -0.049 0.000 1.040 300 V CB -0.203 31.624 31.823 0.008 0.000 0.671 300 V HN 0.079 nan 8.190 nan 0.000 0.455 301 V N -0.058 119.788 119.914 -0.113 0.000 2.295 301 V HA -0.220 0.184 4.120 -6.192 0.000 0.246 301 V C 2.554 178.594 176.094 -0.092 0.000 1.049 301 V CA 2.308 64.535 62.300 -0.121 0.000 1.024 301 V CB -0.834 30.900 31.823 -0.150 0.000 0.648 301 V HN 0.529 nan 8.190 nan 0.000 0.447 302 S N -0.514 115.129 115.700 -0.093 0.000 2.399 302 S HA -0.199 0.555 4.470 -6.192 0.000 0.231 302 S C 2.132 176.654 174.600 -0.129 0.000 1.022 302 S CA 1.510 59.663 58.200 -0.078 0.000 0.983 302 S CB -0.339 62.829 63.200 -0.053 0.000 0.803 302 S HN 0.439 nan 8.310 nan 0.000 0.480 303 R N 1.675 122.068 120.500 -0.178 0.000 2.081 303 R HA 0.050 0.675 4.340 -6.192 0.000 0.235 303 R C 2.363 178.600 176.300 -0.105 0.000 1.131 303 R CA 1.639 57.605 56.100 -0.224 0.000 0.960 303 R CB -0.689 29.481 30.300 -0.216 0.000 0.856 303 R HN 0.263 nan 8.270 nan 0.000 0.436 304 S N -0.139 115.431 115.700 -0.217 0.000 2.368 304 S HA -0.098 0.656 4.470 -6.192 0.000 0.224 304 S C 1.886 176.381 174.600 -0.175 0.000 1.029 304 S CA 1.450 59.360 58.200 -0.483 0.000 0.988 304 S CB -0.157 62.669 63.200 -0.622 0.000 0.838 304 S HN 0.282 nan 8.310 nan 0.000 0.462 305 M N 1.050 120.646 119.600 -0.006 0.000 2.117 305 M HA -0.116 0.648 4.480 -6.192 0.000 0.262 305 M C 2.279 178.562 176.300 -0.028 0.000 1.065 305 M CA 1.408 56.725 55.300 0.028 0.000 1.114 305 M CB -0.977 31.667 32.600 0.074 0.000 1.361 305 M HN 0.307 nan 8.290 nan 0.000 0.408 306 T N 0.616 115.175 114.554 0.009 0.000 2.777 306 T HA -0.088 0.546 4.350 -6.192 0.000 0.266 306 T C 1.312 176.066 174.700 0.090 0.000 1.040 306 T CA 0.832 62.971 62.100 0.066 0.000 1.141 306 T CB -0.206 68.730 68.868 0.113 0.000 0.868 306 T HN 0.168 nan 8.240 nan 0.000 0.444 307 L N 1.300 122.609 121.223 0.143 0.000 2.777 307 L HA 0.204 0.829 4.340 -6.192 0.000 0.244 307 L C 1.528 178.406 176.870 0.013 0.000 1.235 307 L CA 0.633 55.507 54.840 0.057 0.000 1.062 307 L CB -0.500 41.635 42.059 0.127 0.000 1.340 307 L HN 0.054 nan 8.230 nan 0.000 0.439 308 E N -1.251 118.913 120.200 -0.059 0.000 2.367 308 E HA 0.166 0.801 4.350 -6.192 0.000 0.204 308 E C 1.976 178.494 176.600 -0.137 0.000 0.840 308 E CA 0.515 56.837 56.400 -0.130 0.000 1.051 308 E CB 0.312 29.805 29.700 -0.345 0.000 1.051 308 E HN 0.493 nan 8.360 nan 0.000 0.509 309 I N 1.361 121.861 120.570 -0.117 0.000 2.353 309 I HA -0.160 0.295 4.170 -6.192 0.000 0.248 309 I C 2.169 178.237 176.117 -0.081 0.000 1.119 309 I CA 0.647 61.885 61.300 -0.104 0.000 1.417 309 I CB -0.114 37.843 38.000 -0.072 0.000 1.078 309 I HN -0.126 nan 8.210 nan 0.000 0.421 310 R N 1.198 121.654 120.500 -0.073 0.000 2.152 310 R HA -0.111 0.514 4.340 -6.192 0.000 0.232 310 R C 1.727 177.979 176.300 -0.079 0.000 1.117 310 R CA 0.957 57.007 56.100 -0.083 0.000 0.981 310 R CB -0.679 29.549 30.300 -0.120 0.000 0.870 310 R HN 0.473 nan 8.270 nan 0.000 0.451 311 E N -0.439 119.717 120.200 -0.074 0.000 2.358 311 E HA 0.015 0.650 4.350 -6.192 0.000 0.195 311 E C 1.060 177.620 176.600 -0.068 0.000 1.010 311 E CA 0.862 57.224 56.400 -0.065 0.000 0.856 311 E CB 0.070 29.739 29.700 -0.052 0.000 0.795 311 E HN 0.508 nan 8.360 nan 0.000 0.504 312 G N 1.932 110.685 108.800 -0.078 0.000 2.134 312 G HA2 -0.279 -0.034 3.960 -6.192 0.000 0.209 312 G HA3 -0.279 -0.034 3.960 -6.192 0.000 0.209 312 G C 0.274 175.115 174.900 -0.097 0.000 0.993 312 G CA -0.144 44.908 45.100 -0.079 0.000 0.669 312 G HN 0.216 nan 8.290 nan 0.000 0.519 313 R N 0.915 121.343 120.500 -0.120 0.000 4.231 313 R HA 0.464 1.089 4.340 -6.192 0.000 0.250 313 R C 1.398 177.576 176.300 -0.203 0.000 1.600 313 R CA 0.269 56.281 56.100 -0.147 0.000 1.523 313 R CB 0.391 30.598 30.300 -0.156 0.000 1.422 313 R HN 0.322 nan 8.270 nan 0.000 0.759 314 G N -0.796 107.879 108.800 -0.208 0.000 2.509 314 G HA2 0.203 0.448 3.960 -6.192 0.000 0.269 314 G HA3 0.203 0.448 3.960 -6.192 0.000 0.269 314 G C 0.410 175.072 174.900 -0.398 0.000 1.416 314 G CA -0.422 44.492 45.100 -0.309 0.000 1.052 314 G HN 0.403 nan 8.290 nan 0.000 0.542 315 C N -2.192 116.745 119.300 -0.606 0.000 3.003 315 C HA 0.458 1.202 4.460 -6.192 0.000 0.499 315 C C 1.833 176.585 174.990 -0.396 0.000 1.327 315 C CA 0.529 59.178 59.018 -0.614 0.000 2.544 315 C CB -0.117 26.949 27.740 -1.123 0.000 3.143 315 C HN 0.863 nan 8.230 nan 0.000 0.510 316 G N 1.943 110.436 108.800 -0.511 0.000 2.514 316 G HA2 0.317 0.561 3.960 -6.192 0.000 0.245 316 G HA3 0.317 0.561 3.960 -6.192 0.000 0.245 316 G C -1.223 173.648 174.900 -0.049 0.000 1.488 316 G CA 0.258 45.293 45.100 -0.108 0.000 1.063 316 G HN 0.309 nan 8.290 nan 0.000 0.557 317 P HA 0.076 nan 4.420 nan 0.000 0.241 317 P C 0.566 177.889 177.300 0.039 0.000 1.191 317 P CA 0.965 64.091 63.100 0.042 0.000 0.771 317 P CB 0.631 32.379 31.700 0.079 0.000 0.929 318 E N 0.161 120.385 120.200 0.041 0.000 2.485 318 E HA 0.115 0.750 4.350 -6.192 0.000 0.213 318 E C -0.007 176.582 176.600 -0.017 0.000 0.923 318 E CA -0.023 56.404 56.400 0.044 0.000 1.054 318 E CB -0.019 29.755 29.700 0.123 0.000 1.077 318 E HN -0.168 nan 8.360 nan 0.000 0.509 319 K N 1.362 121.703 120.400 -0.098 0.000 3.939 319 K HA -0.158 0.446 4.320 -6.192 0.000 0.281 319 K C -1.012 175.493 176.600 -0.159 0.000 0.981 319 K CA 0.828 57.002 56.287 -0.188 0.000 0.833 319 K CB -1.311 31.107 32.500 -0.137 0.000 1.501 319 K HN 0.365 nan 8.250 nan 0.000 0.445 320 D N -1.216 119.078 120.400 -0.176 0.000 2.516 320 D HA 0.009 0.934 4.640 -6.192 0.000 0.241 320 D C 0.540 176.842 176.300 0.003 0.000 1.246 320 D CA 0.191 54.177 54.000 -0.023 0.000 0.808 320 D CB 0.128 41.014 40.800 0.144 0.000 1.147 320 D HN 0.623 nan 8.370 nan 0.000 0.527 321 H N -1.441 117.524 119.070 -0.175 0.000 2.906 321 H HA 0.785 1.626 4.556 -6.193 0.000 0.337 321 H C -1.038 174.116 175.328 -0.290 0.000 1.257 321 H CA -0.997 54.940 56.048 -0.185 0.000 1.192 321 H CB 1.343 30.974 29.762 -0.219 0.000 1.912 321 H HN -0.193 nan 8.280 nan 0.000 0.573 322 V N 0.007 119.872 119.914 -0.082 0.000 3.158 322 V HA 0.294 0.699 4.120 -6.192 0.000 0.315 322 V C -1.181 174.863 176.094 -0.084 0.000 1.148 322 V CA -0.856 61.340 62.300 -0.174 0.000 1.042 322 V CB 1.818 33.618 31.823 -0.038 0.000 1.101 322 V HN 0.618 nan 8.190 nan 0.000 0.448 323 Y N 0.859 121.239 120.300 0.133 0.000 2.409 323 Y HA 0.639 1.474 4.550 -6.191 0.000 0.339 323 Y C -0.142 175.841 175.900 0.140 0.000 1.033 323 Y CA -1.122 57.058 58.100 0.134 0.000 1.094 323 Y CB 1.673 40.195 38.460 0.103 0.000 1.210 323 Y HN 0.379 nan 8.280 nan 0.000 0.456 324 L N 3.968 125.374 121.223 0.304 0.000 2.294 324 L HA 0.454 1.079 4.340 -6.192 0.000 0.283 324 L C -0.722 176.242 176.870 0.157 0.000 1.015 324 L CA -0.573 54.382 54.840 0.193 0.000 0.831 324 L CB 1.109 43.251 42.059 0.137 0.000 1.217 324 L HN 0.688 nan 8.230 nan 0.000 0.420 325 Q N 4.396 124.290 119.800 0.156 0.000 2.274 325 Q HA 0.377 1.002 4.340 -6.192 0.000 0.256 325 Q C -0.470 175.602 176.000 0.119 0.000 0.927 325 Q CA -0.332 55.555 55.803 0.141 0.000 0.939 325 Q CB 1.269 30.110 28.738 0.172 0.000 1.201 325 Q HN 0.791 nan 8.270 nan 0.000 0.426 326 L N 3.378 124.633 121.223 0.052 0.000 3.168 326 L HA 0.173 0.797 4.340 -6.192 0.000 0.277 326 L C 0.895 177.718 176.870 -0.078 0.000 1.245 326 L CA -0.212 54.580 54.840 -0.080 0.000 1.035 326 L CB 0.055 42.080 42.059 -0.056 0.000 1.399 326 L HN 0.786 nan 8.230 nan 0.000 0.580 327 H N 0.490 119.535 119.070 -0.043 0.000 2.457 327 H HA -0.138 0.702 4.556 -6.192 0.000 0.294 327 H C 2.363 177.697 175.328 0.011 0.000 1.064 327 H CA 2.096 58.143 56.048 -0.002 0.000 1.330 327 H CB 0.350 30.136 29.762 0.040 0.000 1.395 327 H HN 0.458 nan 8.280 nan 0.000 0.541 328 H N -1.541 117.585 119.070 0.094 0.000 2.520 328 H HA 0.054 0.895 4.556 -6.192 0.000 0.279 328 H C 0.453 175.788 175.328 0.011 0.000 0.990 328 H CA -0.216 55.865 56.048 0.055 0.000 1.288 328 H CB -0.235 29.572 29.762 0.075 0.000 1.446 328 H HN 0.121 nan 8.280 nan 0.000 0.538 329 L N 4.176 125.128 121.223 -0.451 0.000 2.485 329 L HA 0.143 0.768 4.340 -6.192 0.000 0.275 329 L C -1.822 174.980 176.870 -0.113 0.000 1.207 329 L CA -1.678 53.018 54.840 -0.239 0.000 0.855 329 L CB 0.026 41.922 42.059 -0.271 0.000 1.114 329 L HN 0.169 nan 8.230 nan 0.000 0.485 330 P HA 0.074 nan 4.420 nan 0.000 0.266 330 P C -2.047 175.222 177.300 -0.051 0.000 1.195 330 P CA -1.069 62.007 63.100 -0.040 0.000 0.768 330 P CB 0.018 31.708 31.700 -0.017 0.000 0.838 331 P HA -0.171 nan 4.420 nan 0.000 0.218 331 P C 1.259 178.537 177.300 -0.036 0.000 1.149 331 P CA 1.540 64.610 63.100 -0.049 0.000 0.817 331 P CB 0.033 31.705 31.700 -0.047 0.000 0.785 332 E N 0.447 120.629 120.200 -0.030 0.000 2.150 332 E HA -0.216 0.418 4.350 -6.192 0.000 0.193 332 E C 2.293 178.876 176.600 -0.028 0.000 0.985 332 E CA 0.621 57.005 56.400 -0.027 0.000 0.814 332 E CB -0.782 28.904 29.700 -0.023 0.000 0.752 332 E HN 0.249 nan 8.360 nan 0.000 0.466 333 Q N 0.690 120.475 119.800 -0.025 0.000 2.123 333 Q HA -0.068 0.557 4.340 -6.192 0.000 0.199 333 Q C 2.255 178.245 176.000 -0.017 0.000 0.966 333 Q CA 0.785 56.577 55.803 -0.020 0.000 0.845 333 Q CB 0.066 28.799 28.738 -0.009 0.000 0.907 333 Q HN 0.394 nan 8.270 nan 0.000 0.439 334 L N -0.020 121.189 121.223 -0.025 0.000 2.141 334 L HA -0.114 0.511 4.340 -6.192 0.000 0.209 334 L C 2.430 179.291 176.870 -0.014 0.000 1.094 334 L CA 1.024 55.851 54.840 -0.021 0.000 0.763 334 L CB -0.358 41.681 42.059 -0.034 0.000 0.908 334 L HN 0.232 nan 8.230 nan 0.000 0.437 335 A N -0.759 122.049 122.820 -0.020 0.000 1.898 335 A HA -0.073 0.531 4.320 -6.192 0.000 0.214 335 A C 2.258 179.831 177.584 -0.019 0.000 1.183 335 A CA 1.297 53.323 52.037 -0.019 0.000 0.622 335 A CB -0.540 18.447 19.000 -0.022 0.000 0.824 335 A HN 0.160 nan 8.150 nan 0.000 0.444 336 V N -0.120 119.777 119.914 -0.027 0.000 2.407 336 V HA -0.112 0.293 4.120 -6.192 0.000 0.245 336 V C 2.594 178.668 176.094 -0.034 0.000 1.041 336 V CA 1.698 63.973 62.300 -0.040 0.000 1.040 336 V CB -0.661 31.123 31.823 -0.065 0.000 0.671 336 V HN 0.408 nan 8.190 nan 0.000 0.455 337 R N -0.402 120.089 120.500 -0.015 0.000 2.156 337 R HA 0.266 0.891 4.340 -6.192 0.000 0.207 337 R C 0.295 176.630 176.300 0.058 0.000 1.040 337 R CA 0.559 56.676 56.100 0.028 0.000 1.013 337 R CB -0.075 30.261 30.300 0.060 0.000 0.931 337 R HN 0.370 nan 8.270 nan 0.000 0.465 338 L N 1.786 123.030 121.223 0.036 0.000 2.625 338 L HA 0.296 0.920 4.340 -6.192 0.000 0.255 338 L C -1.925 174.957 176.870 0.020 0.000 1.493 338 L CA -0.836 54.027 54.840 0.039 0.000 0.796 338 L CB 2.082 44.167 42.059 0.042 0.000 1.064 338 L HN -0.108 nan 8.230 nan 0.000 0.516 339 P HA 0.002 nan 4.420 nan 0.000 0.231 339 P C 1.421 178.722 177.300 0.002 0.000 1.168 339 P CA 0.731 63.831 63.100 0.001 0.000 0.779 339 P CB 0.568 32.263 31.700 -0.009 0.000 0.844 340 G N 1.655 110.458 108.800 0.006 0.000 2.394 340 G HA2 -0.183 0.062 3.960 -6.192 0.000 0.214 340 G HA3 -0.183 0.062 3.960 -6.192 0.000 0.214 340 G C 1.403 176.315 174.900 0.020 0.000 1.176 340 G CA 0.838 45.941 45.100 0.004 0.000 0.786 340 G HN 0.359 nan 8.290 nan 0.000 0.533 341 I N -0.895 119.690 120.570 0.025 0.000 2.928 341 I HA 0.151 0.606 4.170 -6.192 0.000 0.266 341 I C 2.390 178.528 176.117 0.036 0.000 1.234 341 I CA 1.036 62.355 61.300 0.032 0.000 1.483 341 I CB -0.179 37.839 38.000 0.030 0.000 1.097 341 I HN -0.076 nan 8.210 nan 0.000 0.455 342 S N 1.100 116.816 115.700 0.026 0.000 2.368 342 S HA -0.148 0.607 4.470 -6.192 0.000 0.225 342 S C 1.902 176.519 174.600 0.029 0.000 1.030 342 S CA 1.738 59.951 58.200 0.021 0.000 0.999 342 S CB -0.316 62.889 63.200 0.008 0.000 0.844 342 S HN 0.623 nan 8.310 nan 0.000 0.459 343 E N 0.612 120.831 120.200 0.031 0.000 2.051 343 E HA -0.089 0.546 4.350 -6.192 0.000 0.189 343 E C 2.398 179.046 176.600 0.079 0.000 0.979 343 E CA 1.556 57.978 56.400 0.037 0.000 0.803 343 E CB -0.365 29.349 29.700 0.024 0.000 0.761 343 E HN 0.656 nan 8.360 nan 0.000 0.451 344 T N -0.302 114.322 114.554 0.117 0.000 2.915 344 T HA 0.013 0.647 4.350 -6.192 0.000 0.269 344 T C 2.043 176.889 174.700 0.243 0.000 1.071 344 T CA 0.859 63.102 62.100 0.239 0.000 1.132 344 T CB -0.096 68.879 68.868 0.179 0.000 0.878 344 T HN 0.136 nan 8.240 nan 0.000 0.479 345 A N 1.204 124.104 122.820 0.133 0.000 1.968 345 A HA 0.193 0.798 4.320 -6.192 0.000 0.217 345 A C 2.270 179.919 177.584 0.108 0.000 1.169 345 A CA 1.570 53.675 52.037 0.115 0.000 0.638 345 A CB -0.611 18.434 19.000 0.074 0.000 0.812 345 A HN 0.456 nan 8.150 nan 0.000 0.446 346 M N -0.283 119.365 119.600 0.080 0.000 2.193 346 M HA 0.140 0.905 4.480 -6.192 0.000 0.265 346 M C 1.724 178.041 176.300 0.027 0.000 1.071 346 M CA 1.394 56.722 55.300 0.046 0.000 1.140 346 M CB -0.521 32.093 32.600 0.024 0.000 1.369 346 M HN 0.342 nan 8.290 nan 0.000 0.423 347 I N -1.053 119.531 120.570 0.023 0.000 2.202 347 I HA -0.240 0.214 4.170 -6.192 0.000 0.242 347 I C 1.507 177.497 176.117 -0.211 0.000 1.091 347 I CA 1.307 62.536 61.300 -0.118 0.000 1.368 347 I CB -0.287 37.605 38.000 -0.179 0.000 1.058 347 I HN 0.169 nan 8.210 nan 0.000 0.410 348 F N -0.283 119.674 119.950 0.012 0.000 2.530 348 F HA 0.190 1.003 4.527 -6.191 0.000 0.292 348 F C 2.161 177.976 175.800 0.025 0.000 1.109 348 F CA 0.751 58.760 58.000 0.014 0.000 1.450 348 F CB -0.085 38.920 39.000 0.009 0.000 1.114 348 F HN -0.070 nan 8.300 nan 0.000 0.560 349 A N -0.797 122.140 122.820 0.195 0.000 2.358 349 A HA 0.504 1.109 4.320 -6.192 0.000 0.223 349 A C 1.643 179.283 177.584 0.093 0.000 1.218 349 A CA 0.508 52.629 52.037 0.141 0.000 0.942 349 A CB -0.540 18.542 19.000 0.138 0.000 1.005 349 A HN 0.418 nan 8.150 nan 0.000 0.514 350 G N -0.323 108.518 108.800 0.068 0.000 2.246 350 G HA2 -0.133 0.112 3.960 -6.192 0.000 0.273 350 G HA3 -0.133 0.112 3.960 -6.192 0.000 0.273 350 G C -0.111 174.816 174.900 0.044 0.000 1.055 350 G CA 0.384 45.509 45.100 0.042 0.000 0.851 350 G HN 0.941 nan 8.290 nan 0.000 0.500 351 V N 0.421 120.366 119.914 0.051 0.000 2.448 351 V HA 0.421 0.825 4.120 -6.192 0.000 0.295 351 V C -0.042 176.072 176.094 0.034 0.000 1.025 351 V CA -1.067 61.260 62.300 0.045 0.000 0.859 351 V CB 1.912 33.770 31.823 0.058 0.000 0.988 351 V HN 0.361 nan 8.190 nan 0.000 0.431 352 D N 3.308 123.722 120.400 0.024 0.000 2.339 352 D HA 0.120 1.045 4.640 -6.192 0.000 0.256 352 D C 1.172 177.480 176.300 0.013 0.000 1.214 352 D CA -0.102 53.906 54.000 0.014 0.000 0.877 352 D CB 1.957 42.762 40.800 0.007 0.000 1.111 352 D HN 0.401 nan 8.370 nan 0.000 0.478 353 V N 2.133 122.051 119.914 0.007 0.000 2.594 353 V HA -0.139 0.266 4.120 -6.192 0.000 0.253 353 V C 1.946 178.028 176.094 -0.019 0.000 1.069 353 V CA 1.869 64.170 62.300 0.003 0.000 1.082 353 V CB -0.980 30.843 31.823 0.001 0.000 0.680 353 V HN 0.573 nan 8.190 nan 0.000 0.469 354 T N -1.323 113.206 114.554 -0.040 0.000 3.057 354 T HA 0.098 0.733 4.350 -6.192 0.000 0.254 354 T C 1.654 176.266 174.700 -0.147 0.000 1.094 354 T CA 0.998 63.043 62.100 -0.093 0.000 1.088 354 T CB -0.098 68.716 68.868 -0.090 0.000 0.934 354 T HN 0.600 nan 8.240 nan 0.000 0.497 355 K N -0.100 120.268 120.400 -0.053 0.000 2.370 355 K HA 0.274 0.879 4.320 -6.192 0.000 0.194 355 K C 0.153 176.878 176.600 0.209 0.000 1.070 355 K CA 0.286 56.578 56.287 0.008 0.000 0.998 355 K CB 0.942 33.452 32.500 0.017 0.000 0.911 355 K HN 0.359 nan 8.250 nan 0.000 0.533 356 E N 0.498 120.771 120.200 0.122 0.000 2.393 356 E HA 0.289 0.924 4.350 -6.192 0.000 0.273 356 E C -2.773 173.844 176.600 0.027 0.000 0.918 356 E CA -2.252 54.188 56.400 0.067 0.000 0.773 356 E CB 2.462 32.172 29.700 0.015 0.000 1.275 356 E HN -0.133 nan 8.360 nan 0.000 0.451 357 P HA 0.324 nan 4.420 nan 0.000 0.281 357 P C -0.714 176.586 177.300 0.000 0.000 1.264 357 P CA -0.481 62.581 63.100 -0.062 0.000 0.824 357 P CB 0.929 32.493 31.700 -0.226 0.000 1.092 358 I N 1.211 121.846 120.570 0.107 0.000 2.336 358 I HA 0.261 0.716 4.170 -6.192 0.000 0.292 358 I C -2.260 174.030 176.117 0.288 0.000 0.991 358 I CA -3.208 58.186 61.300 0.157 0.000 1.227 358 I CB 0.847 38.916 38.000 0.114 0.000 1.366 358 I HN 0.110 nan 8.210 nan 0.000 0.466 359 P HA 0.123 nan 4.420 nan 0.000 0.269 359 P C -0.331 177.020 177.300 0.084 0.000 1.252 359 P CA 0.127 63.329 63.100 0.170 0.000 0.780 359 P CB 0.706 32.308 31.700 -0.163 0.000 0.829 360 V N 2.601 122.596 119.914 0.135 0.000 2.881 360 V HA 0.803 1.208 4.120 -6.192 0.000 0.316 360 V C -0.650 175.529 176.094 0.142 0.000 1.070 360 V CA -1.234 61.142 62.300 0.127 0.000 0.976 360 V CB 2.021 33.925 31.823 0.136 0.000 1.038 360 V HN 0.349 nan 8.190 nan 0.000 0.446 361 L N 3.077 124.382 121.223 0.138 0.000 2.505 361 L HA 0.740 1.365 4.340 -6.192 0.000 0.259 361 L C -2.872 174.079 176.870 0.135 0.000 0.952 361 L CA -1.580 53.349 54.840 0.148 0.000 0.840 361 L CB 2.901 45.073 42.059 0.188 0.000 1.358 361 L HN 0.604 nan 8.230 nan 0.000 0.409 362 P HA 0.200 nan 4.420 nan 0.000 0.265 362 P C -1.107 176.342 177.300 0.250 0.000 1.222 362 P CA 0.101 63.302 63.100 0.169 0.000 0.767 362 P CB 0.210 31.975 31.700 0.108 0.000 0.801 363 T N -0.346 114.343 114.554 0.224 0.000 2.906 363 T HA 0.354 0.989 4.350 -6.192 0.000 0.295 363 T C 0.007 174.676 174.700 -0.051 0.000 1.061 363 T CA -0.914 61.267 62.100 0.136 0.000 1.000 363 T CB 0.809 69.700 68.868 0.038 0.000 1.103 363 T HN 0.029 nan 8.240 nan 0.000 0.486 364 V N 2.633 122.326 119.914 -0.369 0.000 2.644 364 V HA 0.132 0.537 4.120 -6.192 0.000 0.305 364 V C 1.082 177.023 176.094 -0.255 0.000 1.053 364 V CA 0.964 62.861 62.300 -0.673 0.000 1.186 364 V CB 0.132 31.487 31.823 -0.780 0.000 0.895 364 V HN 1.197 nan 8.190 nan 0.000 0.490 365 H N 3.569 122.453 119.070 -0.311 0.000 2.006 365 H HA 0.290 1.130 4.556 -6.193 0.000 0.189 365 H C -0.492 174.800 175.328 -0.059 0.000 0.887 365 H CA 0.074 56.054 56.048 -0.114 0.000 0.958 365 H CB 0.554 30.343 29.762 0.046 0.000 1.163 365 H HN 0.551 nan 8.280 nan 0.000 0.364 366 Y N 0.913 121.089 120.300 -0.206 0.000 2.492 366 Y HA 0.422 1.255 4.550 -6.195 0.000 0.346 366 Y C -1.505 174.254 175.900 -0.235 0.000 0.997 366 Y CA -1.151 56.802 58.100 -0.246 0.000 1.025 366 Y CB 1.605 40.005 38.460 -0.100 0.000 1.263 366 Y HN 0.160 nan 8.280 nan 0.000 0.454 367 N N 6.530 124.722 118.700 -0.847 0.000 2.621 367 N HA 0.185 1.210 4.740 -6.192 0.000 0.237 367 N C 0.739 175.974 175.510 -0.459 0.000 0.997 367 N CA -0.434 52.270 53.050 -0.576 0.000 0.918 367 N CB 0.847 38.882 38.487 -0.753 0.000 1.122 367 N HN 0.623 nan 8.380 nan 0.000 0.510 368 M N -0.712 118.908 119.600 0.034 0.000 2.394 368 M HA 0.126 0.891 4.480 -6.192 0.000 0.264 368 M C 0.947 177.355 176.300 0.180 0.000 1.073 368 M CA 0.521 55.984 55.300 0.272 0.000 1.111 368 M CB -0.835 31.974 32.600 0.349 0.000 1.401 368 M HN 0.273 nan 8.290 nan 0.000 0.448 369 G N 0.288 109.193 108.800 0.175 0.000 2.651 369 G HA2 0.502 0.747 3.960 -6.192 0.000 0.260 369 G HA3 0.502 0.747 3.960 -6.192 0.000 0.260 369 G C 0.129 175.107 174.900 0.129 0.000 1.216 369 G CA 0.200 45.411 45.100 0.184 0.000 0.913 369 G HN 0.667 nan 8.290 nan 0.000 0.535 370 G N -1.414 107.434 108.800 0.081 0.000 2.373 370 G HA2 0.218 0.462 3.960 -6.192 0.000 0.250 370 G HA3 0.218 0.462 3.960 -6.192 0.000 0.250 370 G C -0.904 173.968 174.900 -0.045 0.000 1.304 370 G CA -0.713 44.402 45.100 0.025 0.000 0.948 370 G HN 0.767 nan 8.290 nan 0.000 0.474 371 I N 2.976 123.507 120.570 -0.065 0.000 2.452 371 I HA 0.262 0.717 4.170 -6.192 0.000 0.287 371 I C -1.980 174.070 176.117 -0.111 0.000 1.079 371 I CA -1.403 59.840 61.300 -0.095 0.000 1.387 371 I CB 1.301 39.248 38.000 -0.088 0.000 1.404 371 I HN 0.076 nan 8.210 nan 0.000 0.522 372 P HA 0.039 nan 4.420 nan 0.000 0.262 372 P C -0.705 176.508 177.300 -0.145 0.000 1.182 372 P CA 0.317 63.328 63.100 -0.150 0.000 0.761 372 P CB 0.516 32.133 31.700 -0.138 0.000 0.795 373 T N 2.130 116.587 114.554 -0.162 0.000 2.923 373 T HA 0.253 0.888 4.350 -6.192 0.000 0.311 373 T C 0.129 174.740 174.700 -0.149 0.000 1.183 373 T CA -0.662 61.340 62.100 -0.163 0.000 1.020 373 T CB 1.320 70.074 68.868 -0.191 0.000 1.165 373 T HN 0.244 nan 8.240 nan 0.000 0.482 374 N N -0.087 118.529 118.700 -0.140 0.000 2.250 374 N HA 0.089 1.114 4.740 -6.192 0.000 0.256 374 N C 0.888 176.365 175.510 -0.055 0.000 1.302 374 N CA 0.117 53.096 53.050 -0.119 0.000 0.894 374 N CB 0.215 38.563 38.487 -0.232 0.000 1.067 374 N HN 0.818 nan 8.380 nan 0.000 0.487 375 Y N -1.350 118.938 120.300 -0.020 0.000 2.511 375 Y HA 0.319 1.152 4.550 -6.194 0.000 0.279 375 Y C 1.279 177.181 175.900 0.004 0.000 1.157 375 Y CA 0.413 58.553 58.100 0.068 0.000 1.300 375 Y CB 0.115 38.586 38.460 0.017 0.000 1.052 375 Y HN 0.229 nan 8.280 nan 0.000 0.529 376 K N 0.330 120.430 120.400 -0.501 0.000 2.367 376 K HA 0.275 0.880 4.320 -6.192 0.000 0.194 376 K C 1.246 177.823 176.600 -0.039 0.000 1.027 376 K CA 0.535 56.591 56.287 -0.385 0.000 1.075 376 K CB 0.170 32.367 32.500 -0.506 0.000 0.845 376 K HN 0.596 nan 8.250 nan 0.000 0.529 377 G N 1.558 110.357 108.800 -0.002 0.000 2.175 377 G HA2 -0.273 -0.028 3.960 -6.192 0.000 0.244 377 G HA3 -0.273 -0.028 3.960 -6.192 0.000 0.244 377 G C -0.266 174.675 174.900 0.068 0.000 0.982 377 G CA -0.210 44.947 45.100 0.095 0.000 0.641 377 G HN 0.330 nan 8.290 nan 0.000 0.527 378 Q N 0.389 120.116 119.800 -0.123 0.000 2.304 378 Q HA 0.499 1.123 4.340 -6.192 0.000 0.260 378 Q C 0.530 176.364 176.000 -0.277 0.000 0.965 378 Q CA -0.499 55.069 55.803 -0.391 0.000 0.898 378 Q CB 2.116 30.624 28.738 -0.383 0.000 1.196 378 Q HN 0.180 nan 8.270 nan 0.000 0.402 379 V N 4.737 124.470 119.914 -0.301 0.000 2.585 379 V HA 0.026 0.431 4.120 -6.192 0.000 0.296 379 V C 0.195 176.190 176.094 -0.165 0.000 1.035 379 V CA 0.273 62.455 62.300 -0.196 0.000 1.084 379 V CB 0.096 31.816 31.823 -0.172 0.000 0.953 379 V HN 0.574 nan 8.190 nan 0.000 0.483 380 L N 6.457 127.608 121.223 -0.120 0.000 2.317 380 L HA 0.656 1.281 4.340 -6.192 0.000 0.281 380 L C 0.263 177.110 176.870 -0.038 0.000 1.024 380 L CA -0.644 54.150 54.840 -0.076 0.000 0.810 380 L CB 1.533 43.559 42.059 -0.054 0.000 1.240 380 L HN 0.734 nan 8.230 nan 0.000 0.427 381 R N 0.101 120.597 120.500 -0.006 0.000 2.532 381 R HA 0.446 1.070 4.340 -6.192 0.000 0.295 381 R C -0.794 175.574 176.300 0.114 0.000 0.968 381 R CA -0.846 55.285 56.100 0.051 0.000 0.916 381 R CB 1.280 31.601 30.300 0.036 0.000 1.124 381 R HN 0.468 nan 8.270 nan 0.000 0.463 382 H N 2.250 121.362 119.070 0.071 0.000 2.787 382 H HA 0.354 1.198 4.556 -6.187 0.000 0.275 382 H C -1.266 174.108 175.328 0.077 0.000 1.183 382 H CA -0.287 55.810 56.048 0.082 0.000 1.290 382 H CB 0.663 30.496 29.762 0.118 0.000 1.438 382 H HN 0.375 nan 8.280 nan 0.000 0.487 383 V N 5.739 125.551 119.914 -0.170 0.000 2.487 383 V HA 0.162 0.567 4.120 -6.192 0.000 0.298 383 V C 0.740 176.712 176.094 -0.204 0.000 1.028 383 V CA -0.684 61.532 62.300 -0.140 0.000 0.860 383 V CB 1.432 33.214 31.823 -0.069 0.000 0.991 383 V HN 1.154 nan 8.190 nan 0.000 0.427 384 N N 3.434 122.040 118.700 -0.157 0.000 2.782 384 N HA -0.206 0.819 4.740 -6.192 0.000 0.251 384 N C 1.009 176.427 175.510 -0.155 0.000 1.101 384 N CA 0.820 53.796 53.050 -0.122 0.000 0.764 384 N CB -0.600 37.833 38.487 -0.090 0.000 1.122 384 N HN 1.506 nan 8.380 nan 0.000 0.561 385 G N -0.788 107.843 108.800 -0.281 0.000 2.162 385 G HA2 -0.329 -0.085 3.960 -6.192 0.000 0.260 385 G HA3 -0.329 -0.085 3.960 -6.192 0.000 0.260 385 G C -0.182 174.530 174.900 -0.314 0.000 0.976 385 G CA 1.058 46.014 45.100 -0.240 0.000 0.655 385 G HN 0.619 nan 8.290 nan 0.000 0.533 386 Q N -0.380 119.173 119.800 -0.412 0.000 2.416 386 Q HA 0.589 1.214 4.340 -6.192 0.000 0.279 386 Q C -1.342 174.557 176.000 -0.169 0.000 1.101 386 Q CA -1.082 54.608 55.803 -0.188 0.000 0.830 386 Q CB 1.383 30.058 28.738 -0.104 0.000 1.402 386 Q HN 0.169 nan 8.270 nan 0.000 0.445 387 D N 1.439 121.839 120.400 -0.001 0.000 2.210 387 D HA 0.245 1.170 4.640 -6.192 0.000 0.249 387 D C -0.981 175.316 176.300 -0.005 0.000 1.062 387 D CA -0.045 53.986 54.000 0.052 0.000 0.891 387 D CB 1.097 41.947 40.800 0.083 0.000 1.186 387 D HN 0.236 nan 8.370 nan 0.000 0.432 388 Q N 0.900 120.695 119.800 -0.009 0.000 2.315 388 Q HA 0.453 1.078 4.340 -6.192 0.000 0.273 388 Q C -1.607 174.363 176.000 -0.051 0.000 1.053 388 Q CA -0.848 54.935 55.803 -0.034 0.000 0.817 388 Q CB 2.022 30.737 28.738 -0.037 0.000 1.326 388 Q HN 0.211 nan 8.270 nan 0.000 0.423 389 V N 3.594 123.465 119.914 -0.072 0.000 2.455 389 V HA 0.150 0.554 4.120 -6.192 0.000 0.273 389 V C -0.035 175.990 176.094 -0.115 0.000 1.045 389 V CA -0.419 61.813 62.300 -0.113 0.000 0.976 389 V CB 1.183 32.926 31.823 -0.133 0.000 0.993 389 V HN 0.589 nan 8.190 nan 0.000 0.475 390 V N 8.780 128.612 119.914 -0.136 0.000 2.446 390 V HA 0.138 0.542 4.120 -6.192 0.000 0.276 390 V C -2.007 173.990 176.094 -0.162 0.000 1.030 390 V CA -1.279 60.945 62.300 -0.127 0.000 1.033 390 V CB 0.619 32.368 31.823 -0.122 0.000 0.993 390 V HN 0.782 nan 8.190 nan 0.000 0.477 391 P HA 0.255 nan 4.420 nan 0.000 0.271 391 P C 0.870 178.114 177.300 -0.094 0.000 1.226 391 P CA 0.870 63.910 63.100 -0.101 0.000 0.765 391 P CB 0.715 32.380 31.700 -0.057 0.000 0.835 392 G N 1.940 110.683 108.800 -0.095 0.000 2.160 392 G HA2 -0.218 0.027 3.960 -6.192 0.000 0.251 392 G HA3 -0.218 0.027 3.960 -6.192 0.000 0.251 392 G C -0.447 174.438 174.900 -0.025 0.000 1.008 392 G CA -0.101 44.991 45.100 -0.013 0.000 0.724 392 G HN 0.573 nan 8.290 nan 0.000 0.514 393 L N -0.165 120.945 121.223 -0.189 0.000 2.410 393 L HA 0.888 1.513 4.340 -6.192 0.000 0.270 393 L C -0.907 175.749 176.870 -0.356 0.000 0.983 393 L CA -1.938 52.809 54.840 -0.155 0.000 0.822 393 L CB 1.343 43.323 42.059 -0.132 0.000 1.285 393 L HN 0.115 nan 8.230 nan 0.000 0.409 394 Y N 2.954 123.198 120.300 -0.094 0.000 2.605 394 Y HA 0.891 1.726 4.550 -6.192 0.000 0.343 394 Y C -0.148 175.698 175.900 -0.090 0.000 1.036 394 Y CA -0.539 57.502 58.100 -0.097 0.000 1.065 394 Y CB 2.472 40.868 38.460 -0.106 0.000 1.288 394 Y HN 0.739 nan 8.280 nan 0.000 0.481 395 A N 0.971 123.839 122.820 0.080 0.000 2.488 395 A HA 0.786 1.391 4.320 -6.192 0.000 0.295 395 A C -1.223 176.368 177.584 0.013 0.000 1.045 395 A CA -0.658 51.388 52.037 0.013 0.000 0.703 395 A CB 0.234 19.210 19.000 -0.040 0.000 1.271 395 A HN 1.062 nan 8.150 nan 0.000 0.400 396 C N 0.230 119.544 119.300 0.023 0.000 3.171 396 C HA 1.046 1.791 4.460 -6.192 0.000 0.308 396 C C 0.862 175.890 174.990 0.064 0.000 1.334 396 C CA 0.057 59.108 59.018 0.055 0.000 1.473 396 C CB 0.947 28.758 27.740 0.119 0.000 1.866 396 C HN 2.990 nan 8.230 nan 0.000 0.465 397 G N 0.881 109.750 108.800 0.116 0.000 2.527 397 G HA2 -0.185 0.060 3.960 -6.192 0.000 0.227 397 G HA3 -0.185 0.060 3.960 -6.192 0.000 0.227 397 G C 0.388 175.357 174.900 0.116 0.000 1.291 397 G CA 0.718 45.899 45.100 0.135 0.000 0.904 397 G HN 1.192 nan 8.290 nan 0.000 0.577 398 E N 0.033 120.273 120.200 0.067 0.000 2.158 398 E HA 0.186 0.821 4.350 -6.192 0.000 0.191 398 E C 2.850 179.404 176.600 -0.076 0.000 0.982 398 E CA 1.516 57.883 56.400 -0.055 0.000 0.823 398 E CB -0.332 29.255 29.700 -0.187 0.000 0.766 398 E HN 0.912 nan 8.360 nan 0.000 0.468 399 A N 1.188 123.989 122.820 -0.031 0.000 1.972 399 A HA 0.051 0.656 4.320 -6.192 0.000 0.219 399 A C 1.402 178.975 177.584 -0.018 0.000 1.169 399 A CA 1.151 53.178 52.037 -0.017 0.000 0.635 399 A CB -0.469 18.517 19.000 -0.023 0.000 0.810 399 A HN 0.348 nan 8.150 nan 0.000 0.446 400 A N -1.886 120.923 122.820 -0.019 0.000 2.259 400 A HA 0.459 1.064 4.320 -6.192 0.000 0.278 400 A C 0.152 177.715 177.584 -0.035 0.000 1.107 400 A CA 0.355 52.366 52.037 -0.044 0.000 0.828 400 A CB 0.227 19.186 19.000 -0.068 0.000 1.111 400 A HN 1.008 nan 8.150 nan 0.000 0.498 401 C N 0.419 119.672 119.300 -0.079 0.000 3.362 401 C HA 0.584 1.328 4.460 -6.192 0.000 0.276 401 C C 1.118 176.010 174.990 -0.162 0.000 1.102 401 C CA -0.081 58.891 59.018 -0.076 0.000 1.361 401 C CB -0.636 27.074 27.740 -0.050 0.000 1.822 401 C HN 1.080 nan 8.230 nan 0.000 0.538 402 A N 1.995 124.678 122.820 -0.229 0.000 2.235 402 A HA 0.255 0.859 4.320 -6.192 0.000 0.208 402 A C 1.347 178.826 177.584 -0.175 0.000 1.172 402 A CA 1.098 52.970 52.037 -0.275 0.000 0.786 402 A CB -0.347 18.323 19.000 -0.550 0.000 0.804 402 A HN 1.589 nan 8.150 nan 0.000 0.479 403 S N -1.490 114.136 115.700 -0.123 0.000 3.524 403 S HA -0.138 0.617 4.470 -6.192 0.000 0.377 403 S C 0.965 175.532 174.600 -0.055 0.000 0.949 403 S CA 0.453 58.632 58.200 -0.035 0.000 1.264 403 S CB -1.448 61.773 63.200 0.036 0.000 0.918 403 S HN 0.519 nan 8.310 nan 0.000 0.517 404 V N 0.982 120.793 119.914 -0.171 0.000 2.871 404 V HA -0.095 0.310 4.120 -6.192 0.000 0.256 404 V C 1.881 177.761 176.094 -0.357 0.000 1.082 404 V CA 1.620 63.767 62.300 -0.254 0.000 1.105 404 V CB -0.244 31.404 31.823 -0.292 0.000 0.713 404 V HN 0.785 nan 8.190 nan 0.000 0.473 405 H N -1.171 117.909 119.070 0.016 0.000 2.604 405 H HA 0.308 1.148 4.556 -6.194 0.000 0.273 405 H C 1.810 177.110 175.328 -0.046 0.000 0.971 405 H CA 0.824 56.864 56.048 -0.014 0.000 1.249 405 H CB 0.208 29.989 29.762 0.033 0.000 1.449 405 H HN 0.423 nan 8.280 nan 0.000 0.512 406 G N 1.462 110.294 108.800 0.053 0.000 2.620 406 G HA2 -0.436 -0.191 3.960 -6.192 0.000 0.315 406 G HA3 -0.436 -0.191 3.960 -6.192 0.000 0.315 406 G C 1.380 176.133 174.900 -0.245 0.000 1.179 406 G CA 1.666 46.727 45.100 -0.065 0.000 0.971 406 G HN 0.613 nan 8.290 nan 0.000 0.544 407 A N 0.194 122.836 122.820 -0.296 0.000 2.195 407 A HA 0.472 1.077 4.320 -6.192 0.000 0.210 407 A C 0.942 178.549 177.584 0.038 0.000 1.165 407 A CA 1.582 53.398 52.037 -0.369 0.000 0.806 407 A CB -0.065 18.817 19.000 -0.196 0.000 0.847 407 A HN 1.118 nan 8.150 nan 0.000 0.482 408 N N -0.218 118.500 118.700 0.030 0.000 2.600 408 N HA 0.104 1.129 4.740 -6.192 0.000 0.272 408 N C -1.227 174.307 175.510 0.040 0.000 1.095 408 N CA -0.462 52.630 53.050 0.068 0.000 0.993 408 N CB 1.248 39.770 38.487 0.057 0.000 1.603 408 N HN 0.321 nan 8.380 nan 0.000 0.526 409 R N 3.386 123.901 120.500 0.025 0.000 2.442 409 R HA 0.180 0.805 4.340 -6.192 0.000 0.291 409 R C -0.512 175.758 176.300 -0.050 0.000 1.069 409 R CA -0.273 55.792 56.100 -0.059 0.000 1.022 409 R CB 0.562 30.564 30.300 -0.496 0.000 0.976 409 R HN 0.444 nan 8.270 nan 0.000 0.443 410 L N 3.867 125.100 121.223 0.018 0.000 2.380 410 L HA 0.291 0.916 4.340 -6.192 0.000 0.273 410 L C 0.424 177.314 176.870 0.033 0.000 1.138 410 L CA 0.564 55.412 54.840 0.013 0.000 0.832 410 L CB 1.254 43.338 42.059 0.040 0.000 1.124 410 L HN 0.828 nan 8.230 nan 0.000 0.454 411 G N 3.867 112.724 108.800 0.096 0.000 2.305 411 G HA2 0.384 0.629 3.960 -6.192 0.000 0.243 411 G HA3 0.384 0.629 3.960 -6.192 0.000 0.243 411 G C 0.677 175.616 174.900 0.065 0.000 1.288 411 G CA 0.236 45.492 45.100 0.260 0.000 0.901 411 G HN 1.683 nan 8.290 nan 0.000 0.516 412 A N 1.958 124.710 122.820 -0.112 0.000 2.945 412 A HA -0.179 0.426 4.320 -6.192 0.000 0.251 412 A C 1.502 179.021 177.584 -0.109 0.000 1.355 412 A CA 1.225 53.066 52.037 -0.327 0.000 0.905 412 A CB -1.790 16.676 19.000 -0.889 0.000 1.104 412 A HN 0.659 nan 8.150 nan 0.000 0.733 413 N N -0.906 117.795 118.700 0.001 0.000 2.254 413 N HA 0.160 1.184 4.740 -6.192 0.000 0.190 413 N C 1.591 177.215 175.510 0.190 0.000 1.107 413 N CA 1.077 54.206 53.050 0.131 0.000 0.869 413 N CB 0.258 38.876 38.487 0.217 0.000 0.983 413 N HN 0.560 nan 8.380 nan 0.000 0.487 414 S N 0.171 115.901 115.700 0.051 0.000 2.362 414 S HA 0.129 0.884 4.470 -6.192 0.000 0.221 414 S C 1.734 176.432 174.600 0.162 0.000 1.032 414 S CA 0.603 58.853 58.200 0.083 0.000 0.973 414 S CB -0.109 63.063 63.200 -0.047 0.000 0.849 414 S HN 0.216 nan 8.310 nan 0.000 0.465 415 L N 1.095 122.386 121.223 0.113 0.000 2.127 415 L HA -0.095 0.530 4.340 -6.192 0.000 0.211 415 L C 2.439 179.385 176.870 0.127 0.000 1.089 415 L CA 0.763 55.674 54.840 0.118 0.000 0.757 415 L CB -0.557 41.555 42.059 0.088 0.000 0.899 415 L HN 0.351 nan 8.230 nan 0.000 0.434 416 L N 0.481 121.778 121.223 0.123 0.000 2.027 416 L HA -0.235 0.390 4.340 -6.192 0.000 0.206 416 L C 2.169 179.130 176.870 0.151 0.000 1.074 416 L CA 2.065 56.975 54.840 0.116 0.000 0.745 416 L CB -0.629 41.502 42.059 0.119 0.000 0.898 416 L HN 0.238 nan 8.230 nan 0.000 0.433 417 D N -0.731 119.819 120.400 0.249 0.000 2.116 417 D HA -0.236 0.689 4.640 -6.192 0.000 0.193 417 D C 2.088 178.598 176.300 0.350 0.000 0.998 417 D CA 1.584 55.822 54.000 0.396 0.000 0.836 417 D CB -0.112 40.982 40.800 0.490 0.000 0.951 417 D HN 0.236 nan 8.370 nan 0.000 0.449 418 L N 0.057 121.429 121.223 0.249 0.000 1.990 418 L HA -0.167 0.458 4.340 -6.192 0.000 0.213 418 L C 2.755 179.717 176.870 0.153 0.000 1.072 418 L CA 1.172 56.127 54.840 0.192 0.000 0.755 418 L CB -1.121 41.033 42.059 0.158 0.000 0.889 418 L HN 0.072 nan 8.230 nan 0.000 0.432 419 V N -1.608 118.380 119.914 0.123 0.000 2.283 419 V HA -0.218 0.187 4.120 -6.192 0.000 0.243 419 V C 2.427 178.536 176.094 0.025 0.000 1.039 419 V CA 1.316 63.665 62.300 0.081 0.000 1.016 419 V CB -0.438 31.434 31.823 0.081 0.000 0.650 419 V HN 0.218 nan 8.190 nan 0.000 0.449 420 V N -0.489 119.408 119.914 -0.028 0.000 2.255 420 V HA -0.267 0.138 4.120 -6.192 0.000 0.247 420 V C 2.158 178.150 176.094 -0.169 0.000 1.051 420 V CA 2.417 64.601 62.300 -0.193 0.000 1.018 420 V CB -0.704 30.883 31.823 -0.393 0.000 0.641 420 V HN 0.485 nan 8.190 nan 0.000 0.445 421 F N 0.489 120.513 119.950 0.124 0.000 2.569 421 F HA 0.177 0.990 4.527 -6.190 0.000 0.295 421 F C 2.328 178.150 175.800 0.038 0.000 1.115 421 F CA 0.806 58.873 58.000 0.112 0.000 1.450 421 F CB -0.759 38.304 39.000 0.106 0.000 1.107 421 F HN 0.191 nan 8.300 nan 0.000 0.563 422 G N 0.320 109.218 108.800 0.163 0.000 2.418 422 G HA2 -0.279 -0.034 3.960 -6.192 0.000 0.217 422 G HA3 -0.279 -0.034 3.960 -6.192 0.000 0.217 422 G C 1.732 176.603 174.900 -0.050 0.000 1.158 422 G CA 0.748 45.869 45.100 0.034 0.000 0.771 422 G HN 0.245 nan 8.290 nan 0.000 0.545 423 R N 0.523 121.000 120.500 -0.039 0.000 2.075 423 R HA 0.077 0.702 4.340 -6.192 0.000 0.232 423 R C 2.840 179.119 176.300 -0.034 0.000 1.126 423 R CA 1.423 57.481 56.100 -0.069 0.000 0.963 423 R CB -0.383 29.889 30.300 -0.046 0.000 0.858 423 R HN 0.274 nan 8.270 nan 0.000 0.435 424 A N 0.460 123.308 122.820 0.046 0.000 1.902 424 A HA -0.180 0.425 4.320 -6.192 0.000 0.217 424 A C 2.466 180.030 177.584 -0.033 0.000 1.181 424 A CA 1.549 53.627 52.037 0.069 0.000 0.623 424 A CB -1.017 18.086 19.000 0.171 0.000 0.818 424 A HN 0.587 nan 8.150 nan 0.000 0.443 425 C N -1.099 118.172 119.300 -0.048 0.000 2.413 425 C HA -0.019 0.726 4.460 -6.192 0.000 0.276 425 C C 3.328 178.070 174.990 -0.413 0.000 1.248 425 C CA 0.949 59.825 59.018 -0.237 0.000 1.742 425 C CB -1.315 26.317 27.740 -0.180 0.000 2.017 425 C HN 0.700 nan 8.230 nan 0.000 0.481 426 A N -0.042 122.604 122.820 -0.289 0.000 1.902 426 A HA -0.083 0.522 4.320 -6.192 0.000 0.217 426 A C 2.064 179.499 177.584 -0.248 0.000 1.181 426 A CA 1.442 53.296 52.037 -0.306 0.000 0.623 426 A CB -0.537 18.312 19.000 -0.253 0.000 0.818 426 A HN 0.618 nan 8.150 nan 0.000 0.443 427 L N -0.924 120.206 121.223 -0.156 0.000 2.156 427 L HA -0.087 0.538 4.340 -6.192 0.000 0.208 427 L C 2.780 179.590 176.870 -0.100 0.000 1.095 427 L CA 1.085 55.873 54.840 -0.086 0.000 0.770 427 L CB -0.369 41.677 42.059 -0.021 0.000 0.914 427 L HN 0.297 nan 8.230 nan 0.000 0.439 428 S N 0.163 115.774 115.700 -0.148 0.000 2.368 428 S HA -0.114 0.641 4.470 -6.192 0.000 0.225 428 S C 1.942 176.463 174.600 -0.131 0.000 1.030 428 S CA 1.291 59.427 58.200 -0.107 0.000 0.999 428 S CB -0.170 63.021 63.200 -0.016 0.000 0.844 428 S HN 0.280 nan 8.310 nan 0.000 0.459 429 I N 1.238 121.609 120.570 -0.333 0.000 2.286 429 I HA -0.119 0.336 4.170 -6.192 0.000 0.245 429 I C 2.643 178.639 176.117 -0.203 0.000 1.104 429 I CA 0.901 61.982 61.300 -0.364 0.000 1.397 429 I CB -0.519 37.064 38.000 -0.694 0.000 1.072 429 I HN 0.232 nan 8.210 nan 0.000 0.417 430 A N 0.199 122.936 122.820 -0.138 0.000 1.873 430 A HA -0.257 0.348 4.320 -6.192 0.000 0.218 430 A C 2.068 179.735 177.584 0.137 0.000 1.193 430 A CA 1.752 53.877 52.037 0.145 0.000 0.629 430 A CB -0.572 18.488 19.000 0.101 0.000 0.826 430 A HN 0.452 nan 8.150 nan 0.000 0.447 431 E N -0.706 119.526 120.200 0.053 0.000 2.311 431 E HA 0.211 0.846 4.350 -6.192 0.000 0.198 431 E C 0.850 177.475 176.600 0.042 0.000 1.115 431 E CA 0.265 56.694 56.400 0.048 0.000 1.140 431 E CB 0.007 29.725 29.700 0.030 0.000 1.204 431 E HN 0.525 nan 8.360 nan 0.000 0.446 432 S N -1.205 114.529 115.700 0.057 0.000 3.148 432 S HA 0.114 0.869 4.470 -6.192 0.000 0.246 432 S C 0.490 175.137 174.600 0.078 0.000 1.041 432 S CA 0.316 58.548 58.200 0.054 0.000 0.813 432 S CB 0.247 63.475 63.200 0.047 0.000 0.813 432 S HN 0.520 nan 8.310 nan 0.000 0.546 433 C N 1.362 120.740 119.300 0.130 0.000 3.108 433 C HA 0.871 1.616 4.460 -6.192 0.000 0.321 433 C C -0.765 174.372 174.990 0.245 0.000 1.357 433 C CA -1.164 57.948 59.018 0.157 0.000 1.562 433 C CB 1.099 28.928 27.740 0.148 0.000 2.003 433 C HN 0.388 nan 8.230 nan 0.000 0.460 434 R N 0.896 121.475 120.500 0.132 0.000 2.589 434 R HA 0.586 1.211 4.340 -6.192 0.000 0.293 434 R C -2.897 173.323 176.300 -0.134 0.000 0.963 434 R CA -2.015 54.069 56.100 -0.027 0.000 0.905 434 R CB 1.302 31.570 30.300 -0.055 0.000 1.144 434 R HN 0.554 nan 8.270 nan 0.000 0.459 435 P HA 0.094 nan 4.420 nan 0.000 0.267 435 P C 0.557 177.749 177.300 -0.179 0.000 1.209 435 P CA 0.648 63.452 63.100 -0.493 0.000 0.763 435 P CB 0.520 31.745 31.700 -0.791 0.000 0.816 436 G N 1.881 110.648 108.800 -0.054 0.000 2.184 436 G HA2 -0.163 0.082 3.960 -6.192 0.000 0.206 436 G HA3 -0.163 0.082 3.960 -6.192 0.000 0.206 436 G C -0.030 174.870 174.900 -0.000 0.000 0.995 436 G CA -0.491 44.592 45.100 -0.028 0.000 0.651 436 G HN 0.485 nan 8.290 nan 0.000 0.511 437 D N 1.064 121.479 120.400 0.024 0.000 2.399 437 D HA 0.217 1.142 4.640 -6.192 0.000 0.241 437 D C 0.909 177.235 176.300 0.043 0.000 1.133 437 D CA 0.022 54.045 54.000 0.038 0.000 0.890 437 D CB 0.844 41.682 40.800 0.063 0.000 1.201 437 D HN 0.378 nan 8.370 nan 0.000 0.432 438 K N 1.775 122.193 120.400 0.031 0.000 2.441 438 K HA -0.069 0.535 4.320 -6.192 0.000 0.273 438 K C -0.888 175.735 176.600 0.038 0.000 1.090 438 K CA -0.001 56.303 56.287 0.028 0.000 1.158 438 K CB 0.211 32.724 32.500 0.021 0.000 0.847 438 K HN 0.108 nan 8.250 nan 0.000 0.483 439 V N 8.130 128.068 119.914 0.039 0.000 2.389 439 V HA 0.131 0.536 4.120 -6.192 0.000 0.264 439 V C -1.898 174.218 176.094 0.036 0.000 1.049 439 V CA -1.670 60.658 62.300 0.047 0.000 0.932 439 V CB 0.562 32.419 31.823 0.055 0.000 1.011 439 V HN 0.822 nan 8.190 nan 0.000 0.475 440 P HA 0.084 nan 4.420 nan 0.000 0.265 440 P C 0.025 177.339 177.300 0.022 0.000 1.193 440 P CA 0.107 63.221 63.100 0.023 0.000 0.765 440 P CB 0.313 32.025 31.700 0.020 0.000 0.823 441 S N 2.794 118.505 115.700 0.017 0.000 2.548 441 S HA 0.328 1.082 4.470 -6.192 0.000 0.277 441 S C 0.064 174.672 174.600 0.014 0.000 1.315 441 S CA -0.605 57.604 58.200 0.016 0.000 1.050 441 S CB 0.187 63.394 63.200 0.012 0.000 0.918 441 S HN 0.336 nan 8.310 nan 0.000 0.497 442 I N 1.782 122.361 120.570 0.016 0.000 2.566 442 I HA 0.373 0.828 4.170 -6.192 0.000 0.303 442 I C 0.219 176.342 176.117 0.010 0.000 0.983 442 I CA -0.766 60.542 61.300 0.014 0.000 1.235 442 I CB 1.218 39.230 38.000 0.019 0.000 1.386 442 I HN 0.704 nan 8.210 nan 0.000 0.494 443 K N 7.376 127.781 120.400 0.008 0.000 2.355 443 K HA 0.167 0.772 4.320 -6.192 0.000 0.270 443 K C -1.611 174.993 176.600 0.007 0.000 1.003 443 K CA -1.026 55.265 56.287 0.006 0.000 0.957 443 K CB 0.272 32.774 32.500 0.003 0.000 0.939 443 K HN 0.448 nan 8.250 nan 0.000 0.482 444 P HA -0.135 nan 4.420 nan 0.000 0.225 444 P C 0.069 177.373 177.300 0.007 0.000 1.148 444 P CA 1.302 64.406 63.100 0.007 0.000 0.779 444 P CB 0.341 32.044 31.700 0.006 0.000 0.780 445 N N -0.344 118.359 118.700 0.005 0.000 2.368 445 N HA 0.078 1.103 4.740 -6.192 0.000 0.178 445 N C 0.698 176.209 175.510 0.002 0.000 1.076 445 N CA 0.064 53.116 53.050 0.004 0.000 0.889 445 N CB -0.064 38.424 38.487 0.002 0.000 1.040 445 N HN 0.010 nan 8.380 nan 0.000 0.463 446 A N 0.846 123.668 122.820 0.003 0.000 2.572 446 A HA 0.318 0.923 4.320 -6.192 0.000 0.256 446 A C 1.303 178.887 177.584 -0.000 0.000 1.041 446 A CA 1.195 53.233 52.037 0.001 0.000 0.790 446 A CB -0.764 18.238 19.000 0.003 0.000 0.947 446 A HN 0.496 nan 8.150 nan 0.000 0.518 447 G N 2.197 110.994 108.800 -0.005 0.000 2.143 447 G HA2 -0.174 0.071 3.960 -6.192 0.000 0.175 447 G HA3 -0.174 0.071 3.960 -6.192 0.000 0.175 447 G C 0.411 175.299 174.900 -0.019 0.000 1.004 447 G CA 0.505 45.599 45.100 -0.010 0.000 0.671 447 G HN 0.772 nan 8.290 nan 0.000 0.512 448 E N 0.230 120.420 120.200 -0.016 0.000 2.058 448 E HA -0.135 0.500 4.350 -6.192 0.000 0.194 448 E C 2.132 178.714 176.600 -0.031 0.000 0.997 448 E CA 1.397 57.785 56.400 -0.020 0.000 0.801 448 E CB -0.086 29.607 29.700 -0.011 0.000 0.746 448 E HN 0.586 nan 8.360 nan 0.000 0.450 449 E N 0.685 120.871 120.200 -0.024 0.000 2.118 449 E HA -0.169 0.466 4.350 -6.192 0.000 0.195 449 E C 2.248 178.826 176.600 -0.037 0.000 0.992 449 E CA 1.115 57.500 56.400 -0.025 0.000 0.804 449 E CB -0.256 29.435 29.700 -0.015 0.000 0.741 449 E HN 0.140 nan 8.360 nan 0.000 0.458 450 S N 0.872 116.548 115.700 -0.040 0.000 2.355 450 S HA -0.086 0.669 4.470 -6.192 0.000 0.222 450 S C 2.379 176.922 174.600 -0.096 0.000 1.031 450 S CA 1.108 59.278 58.200 -0.049 0.000 0.993 450 S CB -0.275 62.906 63.200 -0.031 0.000 0.859 450 S HN 0.061 nan 8.310 nan 0.000 0.453 451 V N 2.318 122.157 119.914 -0.125 0.000 2.358 451 V HA -0.124 0.281 4.120 -6.192 0.000 0.246 451 V C 2.414 178.383 176.094 -0.209 0.000 1.047 451 V CA 1.305 63.463 62.300 -0.237 0.000 1.035 451 V CB -0.665 31.017 31.823 -0.234 0.000 0.658 451 V HN 0.435 nan 8.190 nan 0.000 0.452 452 M N 0.242 119.779 119.600 -0.106 0.000 2.106 452 M HA -0.230 0.535 4.480 -6.192 0.000 0.259 452 M C 2.247 178.515 176.300 -0.054 0.000 1.068 452 M CA 1.878 57.144 55.300 -0.057 0.000 1.100 452 M CB -1.250 31.331 32.600 -0.032 0.000 1.351 452 M HN 0.551 nan 8.290 nan 0.000 0.404 453 N N 0.508 119.168 118.700 -0.066 0.000 2.142 453 N HA -0.143 0.882 4.740 -6.192 0.000 0.186 453 N C 1.823 177.284 175.510 -0.082 0.000 1.023 453 N CA 0.786 53.799 53.050 -0.062 0.000 0.852 453 N CB 0.098 38.552 38.487 -0.055 0.000 0.998 453 N HN 0.228 nan 8.380 nan 0.000 0.424 454 L N 1.761 122.906 121.223 -0.129 0.000 2.042 454 L HA -0.189 0.436 4.340 -6.192 0.000 0.210 454 L C 1.856 178.654 176.870 -0.119 0.000 1.076 454 L CA 1.966 56.705 54.840 -0.169 0.000 0.749 454 L CB -1.294 40.602 42.059 -0.271 0.000 0.893 454 L HN 0.197 nan 8.230 nan 0.000 0.432 455 D N -0.158 120.189 120.400 -0.087 0.000 2.123 455 D HA -0.228 0.697 4.640 -6.192 0.000 0.200 455 D C 2.166 178.600 176.300 0.223 0.000 0.976 455 D CA 1.573 55.664 54.000 0.151 0.000 0.831 455 D CB 0.162 41.087 40.800 0.208 0.000 0.974 455 D HN 0.376 nan 8.370 nan 0.000 0.469 456 K N -0.480 119.982 120.400 0.103 0.000 2.228 456 K HA 0.002 0.607 4.320 -6.192 0.000 0.202 456 K C 1.732 178.363 176.600 0.052 0.000 1.051 456 K CA 0.776 57.122 56.287 0.098 0.000 0.960 456 K CB -0.397 32.123 32.500 0.033 0.000 0.743 456 K HN 0.093 nan 8.250 nan 0.000 0.458 457 L N 1.181 122.400 121.223 -0.007 0.000 2.313 457 L HA 0.173 0.798 4.340 -6.192 0.000 0.214 457 L C 2.567 179.387 176.870 -0.083 0.000 1.119 457 L CA 1.163 55.972 54.840 -0.051 0.000 0.809 457 L CB -0.424 41.588 42.059 -0.080 0.000 0.933 457 L HN 0.264 nan 8.230 nan 0.000 0.449 458 R N -1.001 119.433 120.500 -0.111 0.000 2.090 458 R HA -0.083 0.542 4.340 -6.192 0.000 0.228 458 R C 1.028 177.077 176.300 -0.419 0.000 1.110 458 R CA 1.286 57.209 56.100 -0.294 0.000 0.973 458 R CB -0.018 30.049 30.300 -0.389 0.000 0.869 458 R HN 0.289 nan 8.270 nan 0.000 0.440 459 F N 0.418 120.360 119.950 -0.014 0.000 2.684 459 F HA 0.388 1.200 4.527 -6.192 0.000 0.298 459 F C 0.347 176.112 175.800 -0.059 0.000 1.120 459 F CA -0.589 57.393 58.000 -0.030 0.000 1.332 459 F CB 0.758 39.748 39.000 -0.015 0.000 0.986 459 F HN -0.031 nan 8.300 nan 0.000 0.524 460 A N 1.672 124.515 122.820 0.037 0.000 2.535 460 A HA -0.048 0.557 4.320 -6.192 0.000 0.290 460 A C 0.556 178.100 177.584 -0.067 0.000 1.270 460 A CA 0.036 52.064 52.037 -0.016 0.000 0.937 460 A CB -0.721 18.253 19.000 -0.043 0.000 1.096 460 A HN 0.494 nan 8.150 nan 0.000 0.534 461 N N 3.304 121.973 118.700 -0.052 0.000 3.083 461 N HA 0.256 1.281 4.740 -6.192 0.000 0.260 461 N C 0.619 176.080 175.510 -0.081 0.000 1.163 461 N CA 0.227 53.222 53.050 -0.091 0.000 1.060 461 N CB 0.282 38.734 38.487 -0.059 0.000 1.345 461 N HN 0.640 nan 8.380 nan 0.000 0.515 462 G N -0.165 108.583 108.800 -0.087 0.000 3.075 462 G HA2 0.099 0.344 3.960 -6.192 0.000 0.156 462 G HA3 0.099 0.344 3.960 -6.192 0.000 0.156 462 G C 0.441 175.334 174.900 -0.011 0.000 1.403 462 G CA 0.145 45.219 45.100 -0.044 0.000 1.033 462 G HN 0.329 nan 8.290 nan 0.000 0.589 463 T N -1.384 113.197 114.554 0.046 0.000 3.028 463 T HA 0.318 0.953 4.350 -6.192 0.000 0.262 463 T C 0.091 174.825 174.700 0.057 0.000 0.916 463 T CA -0.208 61.928 62.100 0.059 0.000 0.873 463 T CB -0.027 68.900 68.868 0.099 0.000 1.232 463 T HN 0.193 nan 8.240 nan 0.000 0.529 464 I N 3.117 123.725 120.570 0.062 0.000 2.354 464 I HA 0.470 0.924 4.170 -6.192 0.000 0.286 464 I C 0.208 176.362 176.117 0.063 0.000 1.007 464 I CA -0.940 60.394 61.300 0.055 0.000 1.167 464 I CB 1.353 39.379 38.000 0.044 0.000 1.320 464 I HN 0.043 nan 8.210 nan 0.000 0.458 465 R N 3.777 124.332 120.500 0.093 0.000 2.623 465 R HA 0.061 0.685 4.340 -6.192 0.000 0.271 465 R C 0.851 177.209 176.300 0.096 0.000 1.043 465 R CA 0.229 56.411 56.100 0.136 0.000 1.083 465 R CB 0.827 31.241 30.300 0.190 0.000 0.974 465 R HN 0.704 nan 8.270 nan 0.000 0.436 466 T N 1.774 116.386 114.554 0.098 0.000 2.665 466 T HA -0.194 0.440 4.350 -6.192 0.000 0.268 466 T C 1.784 176.525 174.700 0.069 0.000 1.035 466 T CA 2.129 64.270 62.100 0.068 0.000 1.151 466 T CB -0.145 68.760 68.868 0.063 0.000 0.862 466 T HN 0.697 nan 8.240 nan 0.000 0.438 467 S N 1.748 117.494 115.700 0.078 0.000 2.365 467 S HA -0.195 0.559 4.470 -6.192 0.000 0.225 467 S C 2.012 176.654 174.600 0.069 0.000 1.039 467 S CA 1.385 59.629 58.200 0.073 0.000 1.033 467 S CB -0.411 62.827 63.200 0.064 0.000 0.887 467 S HN 0.638 nan 8.310 nan 0.000 0.447 468 E N 0.398 120.635 120.200 0.062 0.000 2.152 468 E HA -0.014 0.621 4.350 -6.192 0.000 0.192 468 E C 1.998 178.623 176.600 0.042 0.000 0.983 468 E CA 0.559 56.988 56.400 0.049 0.000 0.818 468 E CB -0.165 29.562 29.700 0.045 0.000 0.758 468 E HN 0.244 nan 8.360 nan 0.000 0.467 469 L N 1.038 122.287 121.223 0.044 0.000 2.131 469 L HA -0.060 0.565 4.340 -6.192 0.000 0.206 469 L C 2.293 179.189 176.870 0.044 0.000 1.087 469 L CA 1.427 56.289 54.840 0.036 0.000 0.767 469 L CB -0.186 41.891 42.059 0.029 0.000 0.917 469 L HN -0.079 nan 8.230 nan 0.000 0.441 470 R N -0.887 119.647 120.500 0.058 0.000 2.073 470 R HA -0.184 0.441 4.340 -6.192 0.000 0.234 470 R C 2.248 178.601 176.300 0.088 0.000 1.134 470 R CA 1.896 58.041 56.100 0.075 0.000 0.952 470 R CB -0.448 29.906 30.300 0.090 0.000 0.850 470 R HN 0.352 nan 8.270 nan 0.000 0.433 471 L N 0.592 121.866 121.223 0.085 0.000 2.093 471 L HA -0.082 0.542 4.340 -6.192 0.000 0.208 471 L C 2.052 178.939 176.870 0.030 0.000 1.085 471 L CA 1.740 56.628 54.840 0.079 0.000 0.755 471 L CB -0.326 41.768 42.059 0.059 0.000 0.904 471 L HN 0.052 nan 8.230 nan 0.000 0.435 472 S N -0.663 115.052 115.700 0.024 0.000 2.368 472 S HA -0.221 0.533 4.470 -6.192 0.000 0.225 472 S C 1.914 176.526 174.600 0.019 0.000 1.030 472 S CA 1.795 60.002 58.200 0.011 0.000 0.999 472 S CB -0.387 62.820 63.200 0.012 0.000 0.844 472 S HN 0.572 nan 8.310 nan 0.000 0.459 473 M N 1.242 120.861 119.600 0.031 0.000 2.099 473 M HA -0.158 0.606 4.480 -6.192 0.000 0.262 473 M C 2.183 178.499 176.300 0.025 0.000 1.067 473 M CA 1.507 56.823 55.300 0.026 0.000 1.124 473 M CB -0.309 32.311 32.600 0.035 0.000 1.353 473 M HN 0.268 nan 8.290 nan 0.000 0.410 474 Q N 0.123 119.964 119.800 0.069 0.000 2.061 474 Q HA -0.185 0.439 4.340 -6.192 0.000 0.204 474 Q C 2.062 178.153 176.000 0.152 0.000 0.984 474 Q CA 1.467 57.351 55.803 0.135 0.000 0.846 474 Q CB -0.066 28.830 28.738 0.264 0.000 0.902 474 Q HN 0.411 nan 8.270 nan 0.000 0.421 475 K N 0.093 120.524 120.400 0.052 0.000 2.097 475 K HA -0.020 0.584 4.320 -6.192 0.000 0.205 475 K C 2.173 178.819 176.600 0.077 0.000 1.050 475 K CA 0.930 57.204 56.287 -0.022 0.000 0.938 475 K CB -0.227 32.178 32.500 -0.159 0.000 0.718 475 K HN 0.042 nan 8.250 nan 0.000 0.442 476 S N 0.937 116.690 115.700 0.087 0.000 2.383 476 S HA -0.053 0.701 4.470 -6.192 0.000 0.227 476 S C 1.885 176.608 174.600 0.205 0.000 1.026 476 S CA 0.940 59.240 58.200 0.167 0.000 0.981 476 S CB -0.034 63.187 63.200 0.035 0.000 0.818 476 S HN 0.175 nan 8.310 nan 0.000 0.472 477 M N 0.902 120.539 119.600 0.061 0.000 2.200 477 M HA 0.044 0.809 4.480 -6.192 0.000 0.265 477 M C 2.183 178.597 176.300 0.190 0.000 1.066 477 M CA 1.259 56.526 55.300 -0.056 0.000 1.127 477 M CB -1.210 31.090 32.600 -0.499 0.000 1.379 477 M HN 0.213 nan 8.290 nan 0.000 0.420 478 Q N -0.294 119.678 119.800 0.286 0.000 2.172 478 Q HA -0.003 0.622 4.340 -6.192 0.000 0.200 478 Q C 1.943 178.098 176.000 0.259 0.000 0.964 478 Q CA 1.638 57.683 55.803 0.404 0.000 0.855 478 Q CB 0.002 28.975 28.738 0.390 0.000 0.918 478 Q HN 0.381 nan 8.270 nan 0.000 0.444 479 S N -1.219 114.580 115.700 0.165 0.000 2.439 479 S HA 0.002 0.756 4.470 -6.192 0.000 0.224 479 S C 0.957 175.472 174.600 -0.142 0.000 1.029 479 S CA 0.784 58.973 58.200 -0.018 0.000 0.946 479 S CB -0.075 63.050 63.200 -0.125 0.000 0.797 479 S HN 0.543 nan 8.310 nan 0.000 0.504 480 H N 0.129 119.257 119.070 0.096 0.000 2.604 480 H HA 0.515 1.354 4.556 -6.195 0.000 0.273 480 H C 0.782 176.174 175.328 0.107 0.000 0.971 480 H CA 0.631 56.724 56.048 0.075 0.000 1.249 480 H CB 0.381 30.167 29.762 0.040 0.000 1.449 480 H HN 0.303 nan 8.280 nan 0.000 0.512 481 A N 0.686 123.679 122.820 0.289 0.000 3.214 481 A HA 0.730 1.335 4.320 -6.192 0.000 0.304 481 A C 0.485 178.308 177.584 0.399 0.000 0.969 481 A CA -0.017 52.210 52.037 0.316 0.000 0.986 481 A CB -0.520 18.692 19.000 0.354 0.000 1.073 481 A HN 0.349 nan 8.150 nan 0.000 0.487 482 A N -0.178 122.766 122.820 0.205 0.000 2.599 482 A HA 0.599 1.204 4.320 -6.192 0.000 0.257 482 A C 1.540 178.897 177.584 -0.378 0.000 1.641 482 A CA 0.465 52.517 52.037 0.025 0.000 0.842 482 A CB -0.553 18.447 19.000 -0.000 0.000 1.599 482 A HN 0.673 nan 8.150 nan 0.000 0.585 483 V N -1.190 118.254 119.914 -0.782 0.000 2.220 483 V HA -0.156 0.249 4.120 -6.192 0.000 0.246 483 V C 0.852 176.623 176.094 -0.538 0.000 1.049 483 V CA 1.489 63.259 62.300 -0.883 0.000 1.003 483 V CB -1.018 30.353 31.823 -0.753 0.000 0.634 483 V HN 0.499 nan 8.190 nan 0.000 0.444 484 F N 1.058 120.863 119.950 -0.243 0.000 2.396 484 F HA 0.563 1.373 4.527 -6.196 0.000 0.343 484 F C 0.652 176.376 175.800 -0.127 0.000 1.104 484 F CA -0.465 57.438 58.000 -0.162 0.000 1.161 484 F CB 0.644 39.568 39.000 -0.126 0.000 1.146 484 F HN 0.170 nan 8.300 nan 0.000 0.522 485 R N 1.743 122.277 120.500 0.056 0.000 2.651 485 R HA 0.832 1.457 4.340 -6.192 0.000 0.278 485 R C -1.857 174.453 176.300 0.017 0.000 1.010 485 R CA -1.150 54.966 56.100 0.027 0.000 0.896 485 R CB 1.529 31.838 30.300 0.014 0.000 1.211 485 R HN 0.426 nan 8.270 nan 0.000 0.456 486 V N -1.103 118.827 119.914 0.028 0.000 2.864 486 V HA 0.658 1.063 4.120 -6.192 0.000 0.314 486 V C 1.112 177.231 176.094 0.041 0.000 1.073 486 V CA -0.306 62.006 62.300 0.020 0.000 0.956 486 V CB 1.706 33.525 31.823 -0.007 0.000 1.023 486 V HN 0.886 nan 8.190 nan 0.000 0.435 487 G N 1.273 110.105 108.800 0.054 0.000 2.462 487 G HA2 -0.178 0.067 3.960 -6.192 0.000 0.220 487 G HA3 -0.178 0.067 3.960 -6.192 0.000 0.220 487 G C 1.273 176.200 174.900 0.044 0.000 1.121 487 G CA 1.301 46.444 45.100 0.072 0.000 0.758 487 G HN 0.803 nan 8.290 nan 0.000 0.559 488 S N -0.128 115.589 115.700 0.029 0.000 2.355 488 S HA -0.075 0.680 4.470 -6.192 0.000 0.222 488 S C 2.475 177.101 174.600 0.044 0.000 1.031 488 S CA 1.135 59.350 58.200 0.025 0.000 0.993 488 S CB -0.229 62.976 63.200 0.008 0.000 0.859 488 S HN 0.193 nan 8.310 nan 0.000 0.453 489 V N 2.086 122.032 119.914 0.054 0.000 2.379 489 V HA -0.051 0.354 4.120 -6.192 0.000 0.245 489 V C 2.180 178.380 176.094 0.177 0.000 1.044 489 V CA 1.221 63.585 62.300 0.107 0.000 1.036 489 V CB -0.754 31.094 31.823 0.041 0.000 0.664 489 V HN 0.365 nan 8.190 nan 0.000 0.453 490 L N -0.448 120.836 121.223 0.101 0.000 2.079 490 L HA -0.214 0.411 4.340 -6.192 0.000 0.210 490 L C 2.786 179.644 176.870 -0.022 0.000 1.081 490 L CA 1.450 56.328 54.840 0.064 0.000 0.752 490 L CB -0.571 41.516 42.059 0.047 0.000 0.896 490 L HN 0.336 nan 8.230 nan 0.000 0.433 491 Q N -0.249 119.539 119.800 -0.021 0.000 2.084 491 Q HA -0.260 0.365 4.340 -6.192 0.000 0.202 491 Q C 2.120 178.073 176.000 -0.077 0.000 0.978 491 Q CA 1.575 57.336 55.803 -0.070 0.000 0.844 491 Q CB -0.112 28.609 28.738 -0.027 0.000 0.898 491 Q HN 0.550 nan 8.270 nan 0.000 0.426 492 E N -0.573 119.616 120.200 -0.017 0.000 2.150 492 E HA -0.128 0.507 4.350 -6.192 0.000 0.193 492 E C 1.854 178.330 176.600 -0.207 0.000 0.985 492 E CA 0.871 57.251 56.400 -0.034 0.000 0.814 492 E CB -0.057 29.692 29.700 0.081 0.000 0.752 492 E HN 0.398 nan 8.360 nan 0.000 0.466 493 G N 0.608 109.240 108.800 -0.280 0.000 2.421 493 G HA2 -0.280 -0.035 3.960 -6.192 0.000 0.216 493 G HA3 -0.280 -0.035 3.960 -6.192 0.000 0.216 493 G C 1.736 176.471 174.900 -0.275 0.000 1.171 493 G CA 0.893 45.681 45.100 -0.520 0.000 0.775 493 G HN 0.365 nan 8.290 nan 0.000 0.543 494 C N 0.543 119.696 119.300 -0.245 0.000 2.413 494 C HA -0.033 0.712 4.460 -6.192 0.000 0.276 494 C C 2.805 177.716 174.990 -0.132 0.000 1.236 494 C CA 1.182 60.000 59.018 -0.333 0.000 1.735 494 C CB -0.879 26.407 27.740 -0.757 0.000 2.031 494 C HN 0.586 nan 8.230 nan 0.000 0.474 495 E N 0.288 120.419 120.200 -0.115 0.000 2.150 495 E HA -0.211 0.424 4.350 -6.192 0.000 0.193 495 E C 2.170 178.752 176.600 -0.030 0.000 0.985 495 E CA 0.913 57.294 56.400 -0.032 0.000 0.814 495 E CB -0.124 29.556 29.700 -0.034 0.000 0.752 495 E HN 0.587 nan 8.360 nan 0.000 0.466 496 K N 0.456 120.798 120.400 -0.096 0.000 2.062 496 K HA -0.082 0.522 4.320 -6.192 0.000 0.205 496 K C 1.954 178.529 176.600 -0.041 0.000 1.051 496 K CA 0.675 56.904 56.287 -0.097 0.000 0.941 496 K CB 0.211 32.579 32.500 -0.220 0.000 0.719 496 K HN 0.017 nan 8.250 nan 0.000 0.440 497 I N 1.242 121.794 120.570 -0.030 0.000 2.286 497 I HA -0.205 0.250 4.170 -6.192 0.000 0.245 497 I C 2.281 178.460 176.117 0.103 0.000 1.104 497 I CA 0.813 62.135 61.300 0.037 0.000 1.397 497 I CB -1.004 37.024 38.000 0.046 0.000 1.072 497 I HN 0.216 nan 8.210 nan 0.000 0.417 498 L N 1.045 122.343 121.223 0.125 0.000 2.131 498 L HA -0.141 0.484 4.340 -6.192 0.000 0.210 498 L C 2.701 179.647 176.870 0.127 0.000 1.092 498 L CA 1.661 56.580 54.840 0.133 0.000 0.759 498 L CB -0.656 41.499 42.059 0.159 0.000 0.903 498 L HN 0.096 nan 8.230 nan 0.000 0.435 499 R N -0.417 120.133 120.500 0.084 0.000 2.073 499 R HA -0.120 0.505 4.340 -6.192 0.000 0.234 499 R C 2.191 178.534 176.300 0.071 0.000 1.134 499 R CA 1.862 58.000 56.100 0.062 0.000 0.952 499 R CB -0.438 29.877 30.300 0.025 0.000 0.850 499 R HN 0.447 nan 8.270 nan 0.000 0.433 500 L N -0.525 120.742 121.223 0.073 0.000 2.275 500 L HA -0.151 0.474 4.340 -6.192 0.000 0.215 500 L C 2.173 179.099 176.870 0.093 0.000 1.119 500 L CA 0.739 55.617 54.840 0.064 0.000 0.790 500 L CB -0.434 41.655 42.059 0.050 0.000 0.919 500 L HN 0.217 nan 8.230 nan 0.000 0.443 501 Y N 0.758 121.068 120.300 0.016 0.000 2.314 501 Y HA -0.075 0.762 4.550 -6.188 0.000 0.293 501 Y C 2.278 178.193 175.900 0.025 0.000 1.129 501 Y CA 1.203 59.313 58.100 0.015 0.000 1.201 501 Y CB -0.142 38.322 38.460 0.006 0.000 0.999 501 Y HN 0.073 nan 8.280 nan 0.000 0.541 502 G N -1.018 107.865 108.800 0.139 0.000 2.776 502 G HA2 -0.140 0.105 3.960 -6.192 0.000 0.209 502 G HA3 -0.140 0.105 3.960 -6.192 0.000 0.209 502 G C 0.701 175.648 174.900 0.079 0.000 1.145 502 G CA 0.750 45.907 45.100 0.095 0.000 0.791 502 G HN 0.325 nan 8.290 nan 0.000 0.530 503 D N 0.001 120.424 120.400 0.038 0.000 2.339 503 D HA 0.114 1.039 4.640 -6.192 0.000 0.217 503 D C 2.270 178.590 176.300 0.033 0.000 1.050 503 D CA -0.125 53.917 54.000 0.070 0.000 0.856 503 D CB 0.314 41.126 40.800 0.019 0.000 0.922 503 D HN 0.262 nan 8.370 nan 0.000 0.518 504 L N 0.951 122.125 121.223 -0.082 0.000 2.376 504 L HA -0.102 0.523 4.340 -6.192 0.000 0.219 504 L C 2.193 179.005 176.870 -0.098 0.000 1.133 504 L CA 0.777 55.533 54.840 -0.141 0.000 0.816 504 L CB -0.115 41.753 42.059 -0.318 0.000 0.933 504 L HN 0.133 nan 8.230 nan 0.000 0.449 505 Q N -1.835 117.919 119.800 -0.077 0.000 2.384 505 Q HA -0.066 0.558 4.340 -6.192 0.000 0.207 505 Q C 1.294 177.206 176.000 -0.147 0.000 0.904 505 Q CA 0.673 56.408 55.803 -0.113 0.000 0.933 505 Q CB -0.129 28.525 28.738 -0.141 0.000 1.077 505 Q HN 0.549 nan 8.270 nan 0.000 0.522 506 H N 1.335 120.376 119.070 -0.048 0.000 2.547 506 H HA 0.136 0.977 4.556 -6.192 0.000 0.266 506 H C 0.368 175.674 175.328 -0.036 0.000 0.988 506 H CA -0.015 56.012 56.048 -0.035 0.000 1.147 506 H CB 0.370 30.117 29.762 -0.025 0.000 1.365 506 H HN 0.215 nan 8.280 nan 0.000 0.589 507 L N 0.306 121.554 121.223 0.041 0.000 2.397 507 L HA 0.349 0.973 4.340 -6.192 0.000 0.271 507 L C 0.209 177.065 176.870 -0.022 0.000 1.148 507 L CA -0.596 54.254 54.840 0.016 0.000 0.825 507 L CB 0.519 42.578 42.059 -0.000 0.000 1.117 507 L HN -0.249 nan 8.230 nan 0.000 0.456 508 K N 1.179 121.562 120.400 -0.028 0.000 2.235 508 K HA 0.595 1.200 4.320 -6.192 0.000 0.266 508 K C -0.494 176.030 176.600 -0.126 0.000 0.980 508 K CA -0.222 55.992 56.287 -0.123 0.000 0.849 508 K CB 1.476 33.877 32.500 -0.165 0.000 1.098 508 K HN 0.868 nan 8.250 nan 0.000 0.445 509 T N 3.299 117.737 114.554 -0.194 0.000 2.912 509 T HA 0.529 1.164 4.350 -6.192 0.000 0.288 509 T C -0.061 174.484 174.700 -0.259 0.000 1.030 509 T CA -0.544 61.496 62.100 -0.099 0.000 1.020 509 T CB 0.423 69.259 68.868 -0.054 0.000 1.056 509 T HN 0.499 nan 8.240 nan 0.000 0.480 510 F N 0.166 120.104 119.950 -0.018 0.000 2.532 510 F HA 0.336 1.148 4.527 -6.193 0.000 0.278 510 F C 1.197 176.982 175.800 -0.026 0.000 0.975 510 F CA -0.472 57.522 58.000 -0.011 0.000 1.292 510 F CB 0.106 39.105 39.000 -0.002 0.000 1.112 510 F HN 0.399 nan 8.300 nan 0.000 0.703 511 D N 1.046 121.545 120.400 0.165 0.000 2.450 511 D HA 0.061 0.986 4.640 -6.192 0.000 0.247 511 D C 0.442 176.718 176.300 -0.039 0.000 1.162 511 D CA 0.571 54.606 54.000 0.059 0.000 0.879 511 D CB 0.817 41.645 40.800 0.047 0.000 1.163 511 D HN 0.112 nan 8.370 nan 0.000 0.472 512 R N 1.677 122.141 120.500 -0.060 0.000 2.565 512 R HA 0.297 0.922 4.340 -6.192 0.000 0.347 512 R C 0.831 177.042 176.300 -0.150 0.000 1.010 512 R CA -0.408 55.582 56.100 -0.182 0.000 1.126 512 R CB 1.186 31.415 30.300 -0.118 0.000 1.331 512 R HN 0.395 nan 8.270 nan 0.000 0.552 513 G N -0.128 108.631 108.800 -0.068 0.000 2.580 513 G HA2 0.109 0.353 3.960 -6.192 0.000 0.278 513 G HA3 0.109 0.353 3.960 -6.192 0.000 0.278 513 G C 0.689 175.566 174.900 -0.037 0.000 1.212 513 G CA -0.434 44.649 45.100 -0.029 0.000 0.939 513 G HN -0.064 nan 8.290 nan 0.000 0.513 514 M N -0.544 119.054 119.600 -0.004 0.000 2.398 514 M HA 0.101 0.865 4.480 -6.192 0.000 0.261 514 M C 1.133 177.446 176.300 0.023 0.000 1.125 514 M CA 0.586 55.890 55.300 0.007 0.000 1.183 514 M CB -0.533 32.075 32.600 0.015 0.000 1.322 514 M HN 0.115 nan 8.290 nan 0.000 0.467 515 V N 1.051 121.001 119.914 0.060 0.000 2.479 515 V HA -0.092 0.313 4.120 -6.192 0.000 0.281 515 V C -0.481 175.734 176.094 0.203 0.000 1.031 515 V CA -0.137 62.236 62.300 0.122 0.000 1.038 515 V CB -0.735 31.175 31.823 0.145 0.000 0.981 515 V HN 0.726 nan 8.190 nan 0.000 0.478 516 W N 4.104 125.398 121.300 -0.010 0.000 6.880 516 W HA -0.219 0.726 4.660 -6.192 0.000 0.423 516 W C 0.878 177.385 176.519 -0.020 0.000 1.695 516 W CA 0.383 57.722 57.345 -0.010 0.000 1.126 516 W CB -0.724 28.735 29.460 -0.002 0.000 2.925 516 W HN 0.716 nan 8.180 nan 0.000 1.530 517 N N 1.007 119.739 118.700 0.052 0.000 2.868 517 N HA 0.066 1.091 4.740 -6.192 0.000 0.252 517 N C 1.377 176.883 175.510 -0.007 0.000 1.130 517 N CA 0.914 53.977 53.050 0.021 0.000 1.026 517 N CB 0.519 38.979 38.487 -0.046 0.000 1.335 517 N HN 0.304 nan 8.380 nan 0.000 0.516 518 T N -0.882 113.725 114.554 0.087 0.000 2.833 518 T HA -0.170 0.465 4.350 -6.192 0.000 0.269 518 T C 1.395 176.105 174.700 0.016 0.000 1.054 518 T CA 0.923 63.067 62.100 0.072 0.000 1.135 518 T CB -0.027 68.943 68.868 0.171 0.000 0.869 518 T HN 0.243 nan 8.240 nan 0.000 0.466 519 D N 1.145 121.559 120.400 0.024 0.000 2.123 519 D HA -0.090 0.835 4.640 -6.192 0.000 0.196 519 D C 1.907 178.191 176.300 -0.026 0.000 0.992 519 D CA 0.722 54.734 54.000 0.020 0.000 0.833 519 D CB -0.454 40.379 40.800 0.054 0.000 0.954 519 D HN 0.353 nan 8.370 nan 0.000 0.455 520 L N 0.355 121.535 121.223 -0.072 0.000 2.027 520 L HA -0.076 0.548 4.340 -6.192 0.000 0.206 520 L C 2.482 179.229 176.870 -0.205 0.000 1.074 520 L CA 1.822 56.583 54.840 -0.132 0.000 0.745 520 L CB -0.830 41.136 42.059 -0.155 0.000 0.898 520 L HN 0.128 nan 8.230 nan 0.000 0.433 521 V N -3.330 116.431 119.914 -0.257 0.000 2.548 521 V HA -0.128 0.277 4.120 -6.192 0.000 0.249 521 V C 2.159 178.096 176.094 -0.261 0.000 1.055 521 V CA 1.600 63.630 62.300 -0.449 0.000 1.065 521 V CB -1.061 30.462 31.823 -0.500 0.000 0.681 521 V HN 0.534 nan 8.190 nan 0.000 0.462 522 E N 0.839 120.980 120.200 -0.098 0.000 2.150 522 E HA -0.116 0.519 4.350 -6.192 0.000 0.193 522 E C 2.285 178.876 176.600 -0.015 0.000 0.985 522 E CA 1.717 58.111 56.400 -0.009 0.000 0.814 522 E CB -0.247 29.469 29.700 0.027 0.000 0.752 522 E HN 0.719 nan 8.360 nan 0.000 0.466 523 T N 1.377 115.900 114.554 -0.053 0.000 2.857 523 T HA -0.049 0.585 4.350 -6.192 0.000 0.266 523 T C 1.984 176.642 174.700 -0.070 0.000 1.048 523 T CA 0.490 62.561 62.100 -0.047 0.000 1.139 523 T CB -0.089 68.747 68.868 -0.053 0.000 0.874 523 T HN 0.069 nan 8.240 nan 0.000 0.455 524 L N 0.772 121.908 121.223 -0.145 0.000 2.046 524 L HA -0.116 0.509 4.340 -6.192 0.000 0.208 524 L C 2.764 179.625 176.870 -0.015 0.000 1.077 524 L CA 1.438 56.184 54.840 -0.158 0.000 0.747 524 L CB -0.455 41.349 42.059 -0.425 0.000 0.896 524 L HN 0.320 nan 8.230 nan 0.000 0.432 525 E N -0.351 119.864 120.200 0.025 0.000 2.110 525 E HA -0.275 0.359 4.350 -6.192 0.000 0.193 525 E C 2.089 178.743 176.600 0.091 0.000 0.988 525 E CA 1.116 57.604 56.400 0.147 0.000 0.804 525 E CB -0.127 29.672 29.700 0.165 0.000 0.745 525 E HN 0.259 nan 8.360 nan 0.000 0.458 526 L N 1.370 122.623 121.223 0.049 0.000 2.046 526 L HA -0.227 0.397 4.340 -6.192 0.000 0.208 526 L C 2.117 179.006 176.870 0.030 0.000 1.077 526 L CA 1.739 56.604 54.840 0.041 0.000 0.747 526 L CB -0.273 41.800 42.059 0.024 0.000 0.896 526 L HN 0.081 nan 8.230 nan 0.000 0.432 527 Q N -0.715 119.091 119.800 0.010 0.000 2.061 527 Q HA -0.223 0.402 4.340 -6.192 0.000 0.204 527 Q C 1.954 177.986 176.000 0.053 0.000 0.984 527 Q CA 1.838 57.644 55.803 0.006 0.000 0.846 527 Q CB -0.251 28.480 28.738 -0.013 0.000 0.902 527 Q HN 0.570 nan 8.270 nan 0.000 0.421 528 N N 0.584 119.321 118.700 0.061 0.000 2.120 528 N HA -0.117 0.908 4.740 -6.192 0.000 0.188 528 N C 1.826 177.354 175.510 0.029 0.000 1.024 528 N CA 0.958 54.039 53.050 0.052 0.000 0.852 528 N CB -0.310 38.225 38.487 0.081 0.000 1.003 528 N HN 0.183 nan 8.380 nan 0.000 0.424 529 L N 0.135 121.391 121.223 0.054 0.000 2.046 529 L HA -0.111 0.513 4.340 -6.192 0.000 0.208 529 L C 2.297 179.195 176.870 0.046 0.000 1.077 529 L CA 0.849 55.723 54.840 0.057 0.000 0.747 529 L CB -0.273 41.834 42.059 0.080 0.000 0.896 529 L HN 0.139 nan 8.230 nan 0.000 0.432 530 M N -0.508 119.136 119.600 0.073 0.000 2.067 530 M HA -0.209 0.556 4.480 -6.192 0.000 0.260 530 M C 2.403 178.765 176.300 0.104 0.000 1.069 530 M CA 1.868 57.242 55.300 0.122 0.000 1.117 530 M CB -1.025 31.696 32.600 0.201 0.000 1.334 530 M HN 0.222 nan 8.290 nan 0.000 0.407 531 L N -0.907 120.373 121.223 0.096 0.000 2.079 531 L HA -0.293 0.331 4.340 -6.192 0.000 0.210 531 L C 2.621 179.430 176.870 -0.101 0.000 1.081 531 L CA 1.101 55.942 54.840 0.002 0.000 0.752 531 L CB -0.733 41.332 42.059 0.010 0.000 0.896 531 L HN 0.353 nan 8.230 nan 0.000 0.433 532 C N -0.655 118.554 119.300 -0.151 0.000 2.466 532 C HA -0.049 0.696 4.460 -6.192 0.000 0.278 532 C C 3.132 178.021 174.990 -0.168 0.000 1.288 532 C CA 0.541 59.359 59.018 -0.333 0.000 1.722 532 C CB -0.960 26.413 27.740 -0.612 0.000 2.017 532 C HN 0.613 nan 8.230 nan 0.000 0.488 533 A N 0.236 123.031 122.820 -0.041 0.000 1.877 533 A HA -0.133 0.472 4.320 -6.192 0.000 0.216 533 A C 2.027 179.627 177.584 0.027 0.000 1.186 533 A CA 1.500 53.546 52.037 0.015 0.000 0.620 533 A CB -0.726 18.274 19.000 -0.001 0.000 0.822 533 A HN 0.455 nan 8.150 nan 0.000 0.443 534 L N -0.136 121.094 121.223 0.012 0.000 2.079 534 L HA -0.222 0.403 4.340 -6.192 0.000 0.210 534 L C 2.511 179.408 176.870 0.046 0.000 1.081 534 L CA 2.264 57.119 54.840 0.025 0.000 0.752 534 L CB -0.590 41.405 42.059 -0.106 0.000 0.896 534 L HN 0.512 nan 8.230 nan 0.000 0.433 535 Q N -2.015 117.769 119.800 -0.026 0.000 2.187 535 Q HA -0.118 0.506 4.340 -6.192 0.000 0.199 535 Q C 1.940 177.972 176.000 0.054 0.000 0.957 535 Q CA 1.697 57.488 55.803 -0.019 0.000 0.857 535 Q CB -0.045 28.638 28.738 -0.092 0.000 0.929 535 Q HN 0.493 nan 8.270 nan 0.000 0.453 536 T N 1.004 115.604 114.554 0.075 0.000 2.777 536 T HA -0.121 0.513 4.350 -6.192 0.000 0.266 536 T C 1.742 176.515 174.700 0.123 0.000 1.040 536 T CA 0.910 63.090 62.100 0.134 0.000 1.141 536 T CB -0.092 68.913 68.868 0.229 0.000 0.868 536 T HN 0.150 nan 8.240 nan 0.000 0.444 537 I N -0.171 120.473 120.570 0.123 0.000 2.333 537 I HA -0.007 0.448 4.170 -6.192 0.000 0.246 537 I C 1.832 177.982 176.117 0.055 0.000 1.106 537 I CA 1.149 62.502 61.300 0.089 0.000 1.411 537 I CB -0.215 37.815 38.000 0.051 0.000 1.082 537 I HN 0.174 nan 8.210 nan 0.000 0.420 538 Y N 0.523 120.824 120.300 0.002 0.000 2.200 538 Y HA -0.040 0.792 4.550 -6.198 0.000 0.290 538 Y C 2.547 178.454 175.900 0.012 0.000 1.137 538 Y CA 1.704 59.806 58.100 0.004 0.000 1.163 538 Y CB -0.997 37.455 38.460 -0.012 0.000 0.988 538 Y HN 0.205 nan 8.280 nan 0.000 0.518 539 G N -0.902 107.987 108.800 0.149 0.000 2.422 539 G HA2 -0.179 0.066 3.960 -6.192 0.000 0.218 539 G HA3 -0.179 0.066 3.960 -6.192 0.000 0.218 539 G C 1.846 176.717 174.900 -0.049 0.000 1.140 539 G CA 0.801 45.944 45.100 0.072 0.000 0.775 539 G HN 0.456 nan 8.290 nan 0.000 0.545 540 A N 1.375 124.164 122.820 -0.051 0.000 1.930 540 A HA 0.033 0.638 4.320 -6.192 0.000 0.217 540 A C 2.165 179.767 177.584 0.030 0.000 1.175 540 A CA 2.078 54.077 52.037 -0.063 0.000 0.627 540 A CB -0.316 18.730 19.000 0.078 0.000 0.815 540 A HN 0.494 nan 8.150 nan 0.000 0.443 541 E N 0.370 120.576 120.200 0.009 0.000 2.158 541 E HA 0.121 0.756 4.350 -6.192 0.000 0.191 541 E C 1.711 178.310 176.600 -0.002 0.000 0.982 541 E CA 1.434 57.838 56.400 0.007 0.000 0.823 541 E CB -0.480 29.188 29.700 -0.053 0.000 0.766 541 E HN 0.375 nan 8.360 nan 0.000 0.468 542 A N 1.031 123.856 122.820 0.008 0.000 1.897 542 A HA -0.033 0.571 4.320 -6.192 0.000 0.215 542 A C 1.675 179.158 177.584 -0.168 0.000 1.181 542 A CA 0.813 52.890 52.037 0.067 0.000 0.620 542 A CB -0.494 18.645 19.000 0.232 0.000 0.821 542 A HN 0.218 nan 8.150 nan 0.000 0.443 543 R N 0.955 121.193 120.500 -0.437 0.000 2.370 543 R HA 0.171 0.796 4.340 -6.192 0.000 0.309 543 R C -0.868 174.896 176.300 -0.894 0.000 1.059 543 R CA 0.158 55.579 56.100 -1.132 0.000 0.981 543 R CB 0.117 29.867 30.300 -0.917 0.000 0.972 543 R HN 0.218 nan 8.270 nan 0.000 0.437 544 K N 5.129 124.650 120.400 -1.466 0.000 2.847 544 K HA 0.107 0.712 4.320 -6.192 0.000 0.213 544 K C -0.915 175.192 176.600 -0.822 0.000 1.174 544 K CA -0.263 55.377 56.287 -1.079 0.000 1.095 544 K CB 0.547 32.238 32.500 -1.348 0.000 1.581 544 K HN 0.714 nan 8.250 nan 0.000 0.514 545 E N -1.782 118.203 120.200 -0.358 0.000 2.449 545 E HA 0.333 0.968 4.350 -6.192 0.000 0.278 545 E C -1.000 175.651 176.600 0.085 0.000 1.059 545 E CA -1.066 55.300 56.400 -0.057 0.000 0.854 545 E CB 1.091 30.755 29.700 -0.060 0.000 1.465 545 E HN -0.137 nan 8.360 nan 0.000 0.462 546 S N 0.085 115.857 115.700 0.119 0.000 2.257 546 S HA 0.291 1.046 4.470 -6.192 0.000 0.191 546 S C -0.601 174.095 174.600 0.159 0.000 1.386 546 S CA -0.543 57.717 58.200 0.100 0.000 1.233 546 S CB -0.111 63.139 63.200 0.082 0.000 1.138 546 S HN 0.336 nan 8.310 nan 0.000 0.483 547 R N 1.377 122.025 120.500 0.246 0.000 2.265 547 R HA 0.547 1.171 4.340 -6.192 0.000 0.319 547 R C 1.160 177.672 176.300 0.352 0.000 1.006 547 R CA 0.644 56.920 56.100 0.294 0.000 0.880 547 R CB 0.422 30.927 30.300 0.341 0.000 1.077 547 R HN 0.592 nan 8.270 nan 0.000 0.454 548 G N 2.889 111.840 108.800 0.251 0.000 2.622 548 G HA2 -0.458 -0.213 3.960 -6.192 0.000 0.307 548 G HA3 -0.458 -0.213 3.960 -6.192 0.000 0.307 548 G C 0.673 175.696 174.900 0.206 0.000 1.226 548 G CA 0.446 45.681 45.100 0.224 0.000 0.997 548 G HN 0.767 nan 8.290 nan 0.000 0.551 549 A N -0.677 122.309 122.820 0.277 0.000 2.119 549 A HA 0.214 0.819 4.320 -6.192 0.000 0.216 549 A C 1.236 178.915 177.584 0.159 0.000 1.152 549 A CA 1.528 53.686 52.037 0.202 0.000 0.708 549 A CB -0.342 18.816 19.000 0.264 0.000 0.805 549 A HN 1.011 nan 8.150 nan 0.000 0.460 550 H N 0.605 119.740 119.070 0.108 0.000 2.864 550 H HA 0.507 1.338 4.556 -6.209 0.000 0.281 550 H C -0.847 174.464 175.328 -0.028 0.000 1.093 550 H CA 0.344 56.358 56.048 -0.057 0.000 1.453 550 H CB 0.423 30.008 29.762 -0.296 0.000 1.462 550 H HN 0.173 nan 8.280 nan 0.000 0.480 551 A N 7.828 130.394 122.820 -0.423 0.000 2.409 551 A HA 0.338 0.942 4.320 -6.192 0.000 0.300 551 A C -0.213 177.200 177.584 -0.285 0.000 1.273 551 A CA -0.893 50.966 52.037 -0.295 0.000 0.774 551 A CB 0.430 19.262 19.000 -0.280 0.000 1.144 551 A HN 0.646 nan 8.150 nan 0.000 0.472 552 R N 1.740 122.094 120.500 -0.244 0.000 2.308 552 R HA 0.211 0.836 4.340 -6.192 0.000 0.305 552 R C 0.192 176.511 176.300 0.031 0.000 1.053 552 R CA -0.097 55.958 56.100 -0.075 0.000 0.957 552 R CB 1.053 31.396 30.300 0.073 0.000 1.022 552 R HN 0.832 nan 8.270 nan 0.000 0.461 553 E N 1.113 121.332 120.200 0.031 0.000 2.371 553 E HA -0.095 0.540 4.350 -6.192 0.000 0.194 553 E C 0.206 176.756 176.600 -0.084 0.000 1.012 553 E CA 0.771 57.178 56.400 0.011 0.000 0.860 553 E CB 0.315 30.015 29.700 -0.000 0.000 0.811 553 E HN 0.546 nan 8.360 nan 0.000 0.502 554 D N 0.201 120.503 120.400 -0.163 0.000 2.149 554 D HA -0.091 0.834 4.640 -6.192 0.000 0.201 554 D C -0.050 175.838 176.300 -0.687 0.000 0.972 554 D CA 0.897 54.614 54.000 -0.472 0.000 0.835 554 D CB 0.053 40.459 40.800 -0.656 0.000 0.966 554 D HN 0.094 nan 8.370 nan 0.000 0.476 555 F N 0.512 120.459 119.950 -0.004 0.000 2.453 555 F HA 0.366 1.307 4.527 -5.977 0.000 0.358 555 F C 1.064 176.872 175.800 0.013 0.000 1.129 555 F CA -0.809 57.196 58.000 0.007 0.000 1.200 555 F CB 1.144 40.140 39.000 -0.007 0.000 1.431 555 F HN -0.378 nan 8.300 nan 0.000 0.503 556 K N 0.767 121.240 120.400 0.120 0.000 2.365 556 K HA 0.005 0.610 4.320 -6.192 0.000 0.199 556 K C 0.414 177.087 176.600 0.122 0.000 1.045 556 K CA 0.539 56.888 56.287 0.103 0.000 0.962 556 K CB 0.156 32.698 32.500 0.071 0.000 0.759 556 K HN 0.612 nan 8.250 nan 0.000 0.469 557 E N 0.596 120.883 120.200 0.146 0.000 2.314 557 E HA 0.160 0.795 4.350 -6.192 0.000 0.262 557 E C -0.007 176.685 176.600 0.153 0.000 1.093 557 E CA -0.653 55.832 56.400 0.141 0.000 0.908 557 E CB 1.019 30.803 29.700 0.140 0.000 1.091 557 E HN -0.199 nan 8.360 nan 0.000 0.425 558 R N 1.820 122.409 120.500 0.148 0.000 2.204 558 R HA 0.214 0.839 4.340 -6.192 0.000 0.341 558 R C -1.333 175.076 176.300 0.180 0.000 1.035 558 R CA -0.372 55.828 56.100 0.165 0.000 0.887 558 R CB 0.558 30.951 30.300 0.156 0.000 1.114 558 R HN 0.280 nan 8.270 nan 0.000 0.473 559 V N 5.929 125.973 119.914 0.216 0.000 2.339 559 V HA 0.137 0.542 4.120 -6.192 0.000 0.261 559 V C 0.446 176.697 176.094 0.262 0.000 1.058 559 V CA -0.277 62.169 62.300 0.245 0.000 0.897 559 V CB 0.793 32.809 31.823 0.321 0.000 1.052 559 V HN 0.611 nan 8.190 nan 0.000 0.480 560 D N 3.202 123.727 120.400 0.209 0.000 2.487 560 D HA 0.274 1.198 4.640 -6.192 0.000 0.262 560 D C 0.861 177.171 176.300 0.017 0.000 1.130 560 D CA -0.537 53.570 54.000 0.178 0.000 1.038 560 D CB 1.550 42.527 40.800 0.295 0.000 1.142 560 D HN 0.507 nan 8.370 nan 0.000 0.575 561 E N -0.433 119.614 120.200 -0.255 0.000 2.110 561 E HA -0.120 0.515 4.350 -6.192 0.000 0.193 561 E C -0.012 176.323 176.600 -0.442 0.000 0.988 561 E CA 1.329 57.394 56.400 -0.559 0.000 0.804 561 E CB -0.223 29.077 29.700 -0.666 0.000 0.745 561 E HN 0.391 nan 8.360 nan 0.000 0.458 562 Y N -0.157 120.031 120.300 -0.187 0.000 2.587 562 Y HA 0.291 1.129 4.550 -6.188 0.000 0.337 562 Y C -0.029 175.697 175.900 -0.289 0.000 1.065 562 Y CA -1.352 56.516 58.100 -0.386 0.000 1.126 562 Y CB 1.183 39.127 38.460 -0.859 0.000 1.279 562 Y HN -0.208 nan 8.280 nan 0.000 0.489 563 D N 1.031 121.395 120.400 -0.061 0.000 2.422 563 D HA 0.054 0.978 4.640 -6.192 0.000 0.227 563 D C -0.276 175.971 176.300 -0.089 0.000 1.190 563 D CA 0.269 54.257 54.000 -0.019 0.000 0.905 563 D CB 0.117 40.919 40.800 0.002 0.000 1.034 563 D HN 0.546 nan 8.370 nan 0.000 0.507 564 Y N 1.157 121.452 120.300 -0.009 0.000 2.529 564 Y HA -0.122 0.708 4.550 -6.199 0.000 0.290 564 Y C 2.548 178.401 175.900 -0.078 0.000 1.177 564 Y CA 0.384 58.439 58.100 -0.075 0.000 1.305 564 Y CB 0.288 38.654 38.460 -0.157 0.000 1.047 564 Y HN 0.386 nan 8.280 nan 0.000 0.522 565 S N 0.349 116.091 115.700 0.070 0.000 2.357 565 S HA -0.118 0.637 4.470 -6.192 0.000 0.221 565 S C 0.938 175.544 174.600 0.010 0.000 1.031 565 S CA 0.157 58.379 58.200 0.035 0.000 0.982 565 S CB -0.495 62.726 63.200 0.036 0.000 0.853 565 S HN 0.388 nan 8.310 nan 0.000 0.458 566 K N 2.030 122.427 120.400 -0.005 0.000 2.107 566 K HA 0.507 1.112 4.320 -6.192 0.000 0.251 566 K C -3.026 173.545 176.600 -0.049 0.000 1.012 566 K CA -2.019 54.255 56.287 -0.022 0.000 0.920 566 K CB -0.660 31.828 32.500 -0.019 0.000 1.033 566 K HN -0.019 nan 8.250 nan 0.000 0.478 567 P HA -0.063 nan 4.420 nan 0.000 0.266 567 P C -0.443 176.783 177.300 -0.123 0.000 1.193 567 P CA -0.192 62.866 63.100 -0.071 0.000 0.770 567 P CB 0.311 31.979 31.700 -0.053 0.000 0.836 568 I N 1.641 122.111 120.570 -0.167 0.000 3.079 568 I HA 0.005 0.459 4.170 -6.192 0.000 0.295 568 I C 1.254 177.239 176.117 -0.220 0.000 1.094 568 I CA 0.494 61.620 61.300 -0.290 0.000 1.295 568 I CB 0.029 37.823 38.000 -0.343 0.000 1.443 568 I HN 0.598 nan 8.210 nan 0.000 0.607 569 Q N 1.893 121.528 119.800 -0.275 0.000 2.258 569 Q HA -0.218 0.407 4.340 -6.192 0.000 0.167 569 Q C 1.045 177.006 176.000 -0.065 0.000 0.586 569 Q CA 1.154 56.869 55.803 -0.147 0.000 1.398 569 Q CB -2.080 26.589 28.738 -0.115 0.000 1.415 569 Q HN 0.957 nan 8.270 nan 0.000 0.903 570 G N 0.275 109.038 108.800 -0.061 0.000 3.383 570 G HA2 0.231 0.476 3.960 -6.192 0.000 0.251 570 G HA3 0.231 0.476 3.960 -6.192 0.000 0.251 570 G C -0.006 174.894 174.900 -0.000 0.000 1.203 570 G CA 0.070 45.154 45.100 -0.026 0.000 0.852 570 G HN 0.159 nan 8.290 nan 0.000 0.531 571 Q N -0.464 119.356 119.800 0.033 0.000 2.421 571 Q HA 0.352 0.976 4.340 -6.192 0.000 0.280 571 Q C -0.953 175.128 176.000 0.135 0.000 1.085 571 Q CA -0.863 54.994 55.803 0.091 0.000 0.807 571 Q CB 1.912 30.748 28.738 0.163 0.000 1.405 571 Q HN 0.015 nan 8.270 nan 0.000 0.419 572 Q N 1.615 121.453 119.800 0.062 0.000 2.274 572 Q HA 0.213 0.838 4.340 -6.192 0.000 0.256 572 Q C -0.907 175.029 176.000 -0.106 0.000 0.927 572 Q CA -0.227 55.585 55.803 0.014 0.000 0.939 572 Q CB 1.520 30.253 28.738 -0.008 0.000 1.201 572 Q HN 0.386 nan 8.270 nan 0.000 0.426 573 K N 2.946 123.234 120.400 -0.186 0.000 2.416 573 K HA 0.042 0.647 4.320 -6.192 0.000 0.283 573 K C -0.302 176.119 176.600 -0.299 0.000 1.037 573 K CA 0.011 55.982 56.287 -0.527 0.000 0.995 573 K CB 0.543 32.817 32.500 -0.376 0.000 0.938 573 K HN 0.287 nan 8.250 nan 0.000 0.475 574 K N 5.611 125.817 120.400 -0.324 0.000 2.401 574 K HA 0.106 0.710 4.320 -6.192 0.000 0.278 574 K C -2.046 174.557 176.600 0.004 0.000 1.018 574 K CA -1.383 54.835 56.287 -0.115 0.000 0.981 574 K CB 0.428 32.892 32.500 -0.060 0.000 0.933 574 K HN 0.554 nan 8.250 nan 0.000 0.477 575 P HA -0.080 nan 4.420 nan 0.000 0.272 575 P C 0.257 177.633 177.300 0.127 0.000 1.240 575 P CA -0.060 63.084 63.100 0.075 0.000 0.791 575 P CB 0.417 32.127 31.700 0.016 0.000 0.978 576 F N 0.777 120.705 119.950 -0.037 0.000 2.408 576 F HA -0.215 0.622 4.527 -6.150 0.000 0.300 576 F C 1.977 177.540 175.800 -0.395 0.000 1.090 576 F CA 1.095 58.969 58.000 -0.211 0.000 1.427 576 F CB 0.095 39.049 39.000 -0.076 0.000 1.070 576 F HN 0.161 nan 8.300 nan 0.000 0.549 577 Q N 0.177 119.783 119.800 -0.324 0.000 2.311 577 Q HA -0.104 0.521 4.340 -6.192 0.000 0.203 577 Q C 1.533 177.218 176.000 -0.525 0.000 0.954 577 Q CA 1.231 56.783 55.803 -0.419 0.000 0.885 577 Q CB -0.310 28.309 28.738 -0.198 0.000 0.963 577 Q HN 0.600 nan 8.270 nan 0.000 0.471 578 E N 0.348 120.286 120.200 -0.436 0.000 2.244 578 E HA -0.003 0.632 4.350 -6.192 0.000 0.196 578 E C 0.771 177.112 176.600 -0.431 0.000 0.939 578 E CA -0.034 56.151 56.400 -0.358 0.000 0.884 578 E CB 0.217 29.822 29.700 -0.158 0.000 0.850 578 E HN 0.488 nan 8.360 nan 0.000 0.481 579 H N -1.852 116.987 119.070 -0.386 0.000 2.505 579 H HA 0.096 0.939 4.556 -6.188 0.000 0.358 579 H C -0.266 174.763 175.328 -0.500 0.000 1.304 579 H CA -0.394 55.477 56.048 -0.295 0.000 1.393 579 H CB 0.524 30.223 29.762 -0.105 0.000 1.591 579 H HN 0.070 nan 8.280 nan 0.000 0.595 580 W N -0.366 120.947 121.300 0.021 0.000 2.862 580 W HA 0.297 4.787 4.660 -0.284 0.000 0.376 580 W C 1.011 177.570 176.519 0.066 0.000 1.028 580 W CA -0.588 56.707 57.345 -0.083 0.000 1.757 580 W CB 0.720 30.139 29.460 -0.068 0.000 1.128 580 W HN 0.405 nan 8.180 nan 0.000 0.566 581 R N 3.252 124.028 120.500 0.459 0.000 3.247 581 R HA 0.094 0.719 4.340 -6.192 0.000 0.212 581 R C -0.362 176.111 176.300 0.288 0.000 1.604 581 R CA 0.513 56.823 56.100 0.351 0.000 1.279 581 R CB -0.856 29.622 30.300 0.298 0.000 1.277 581 R HN 0.044 nan 8.270 nan 0.000 0.669 582 K N 0.204 120.712 120.400 0.180 0.000 2.568 582 K HA 0.285 0.890 4.320 -6.192 0.000 0.273 582 K C -1.290 175.397 176.600 0.146 0.000 0.951 582 K CA -1.067 55.319 56.287 0.165 0.000 0.854 582 K CB 1.034 33.612 32.500 0.130 0.000 1.424 582 K HN 0.097 nan 8.250 nan 0.000 0.427 583 H N 0.945 120.196 119.070 0.302 0.000 2.610 583 H HA 0.177 1.020 4.556 -6.188 0.000 0.336 583 H C -0.370 175.162 175.328 0.339 0.000 1.087 583 H CA -0.112 56.088 56.048 0.253 0.000 1.405 583 H CB 1.447 31.288 29.762 0.132 0.000 1.460 583 H HN 0.515 nan 8.280 nan 0.000 0.538 584 T N 5.556 120.387 114.554 0.461 0.000 2.723 584 T HA 0.269 0.903 4.350 -6.192 0.000 0.297 584 T C 0.757 175.467 174.700 0.017 0.000 0.925 584 T CA -0.583 61.679 62.100 0.269 0.000 1.030 584 T CB -0.090 68.979 68.868 0.334 0.000 0.905 584 T HN 0.230 nan 8.240 nan 0.000 0.502 585 L N 4.125 125.243 121.223 -0.175 0.000 2.265 585 L HA 0.437 1.062 4.340 -6.192 0.000 0.289 585 L C 0.617 177.320 176.870 -0.277 0.000 1.033 585 L CA -0.542 54.161 54.840 -0.229 0.000 0.814 585 L CB 0.935 42.863 42.059 -0.217 0.000 1.203 585 L HN 0.628 nan 8.230 nan 0.000 0.423 586 S N 1.988 117.506 115.700 -0.303 0.000 2.454 586 S HA 0.726 1.481 4.470 -6.192 0.000 0.306 586 S C -0.862 173.518 174.600 -0.367 0.000 1.100 586 S CA -0.723 57.340 58.200 -0.229 0.000 1.087 586 S CB 1.000 64.121 63.200 -0.132 0.000 1.019 586 S HN 0.318 nan 8.310 nan 0.000 0.480 587 Y N 0.760 120.992 120.300 -0.114 0.000 2.549 587 Y HA 0.755 1.587 4.550 -6.197 0.000 0.339 587 Y C -0.082 175.731 175.900 -0.145 0.000 1.053 587 Y CA -1.133 56.901 58.100 -0.110 0.000 1.105 587 Y CB 1.962 40.368 38.460 -0.091 0.000 1.258 587 Y HN 0.666 nan 8.280 nan 0.000 0.478 588 V N 1.731 121.657 119.914 0.021 0.000 2.612 588 V HA 0.297 0.702 4.120 -6.192 0.000 0.301 588 V C -1.441 174.614 176.094 -0.065 0.000 1.059 588 V CA -0.730 61.514 62.300 -0.093 0.000 0.886 588 V CB 1.595 33.302 31.823 -0.193 0.000 1.007 588 V HN 0.852 nan 8.190 nan 0.000 0.426 589 D N 4.839 125.188 120.400 -0.085 0.000 2.349 589 D HA 0.164 1.089 4.640 -6.192 0.000 0.266 589 D C 1.184 177.454 176.300 -0.051 0.000 1.293 589 D CA 0.312 54.278 54.000 -0.057 0.000 0.926 589 D CB 1.463 42.227 40.800 -0.060 0.000 1.090 589 D HN 0.394 nan 8.370 nan 0.000 0.502 590 V N 4.655 124.570 119.914 0.001 0.000 2.453 590 V HA -0.269 0.136 4.120 -6.192 0.000 0.252 590 V C 2.434 178.621 176.094 0.155 0.000 1.068 590 V CA 1.612 63.960 62.300 0.080 0.000 1.070 590 V CB -0.671 31.199 31.823 0.079 0.000 0.664 590 V HN 0.646 nan 8.190 nan 0.000 0.461 591 K N 0.651 121.101 120.400 0.083 0.000 2.025 591 K HA -0.183 0.422 4.320 -6.192 0.000 0.207 591 K C 2.140 178.816 176.600 0.126 0.000 1.049 591 K CA 2.126 58.466 56.287 0.089 0.000 0.933 591 K CB -0.165 32.359 32.500 0.039 0.000 0.714 591 K HN 0.689 nan 8.250 nan 0.000 0.438 592 T N -4.245 110.350 114.554 0.068 0.000 3.001 592 T HA 0.221 0.855 4.350 -6.192 0.000 0.251 592 T C 1.109 175.797 174.700 -0.019 0.000 1.040 592 T CA 0.493 62.623 62.100 0.051 0.000 0.985 592 T CB 0.726 69.596 68.868 0.004 0.000 1.011 592 T HN 0.356 nan 8.240 nan 0.000 0.509 593 G N 1.988 110.677 108.800 -0.185 0.000 2.147 593 G HA2 -0.290 -0.046 3.960 -6.192 0.000 0.244 593 G HA3 -0.290 -0.046 3.960 -6.192 0.000 0.244 593 G C -0.081 174.564 174.900 -0.425 0.000 1.005 593 G CA 0.279 45.021 45.100 -0.597 0.000 0.713 593 G HN 0.845 nan 8.290 nan 0.000 0.515 594 K N 0.420 120.656 120.400 -0.273 0.000 2.416 594 K HA 0.419 1.023 4.320 -6.192 0.000 0.283 594 K C 0.315 176.720 176.600 -0.325 0.000 1.037 594 K CA -0.382 55.745 56.287 -0.267 0.000 0.995 594 K CB 0.559 32.970 32.500 -0.149 0.000 0.938 594 K HN 0.035 nan 8.250 nan 0.000 0.475 595 V N 5.095 124.719 119.914 -0.482 0.000 2.288 595 V HA 0.083 0.488 4.120 -6.192 0.000 0.266 595 V C -0.243 175.733 176.094 -0.198 0.000 1.048 595 V CA -0.632 61.425 62.300 -0.403 0.000 0.842 595 V CB 0.536 31.965 31.823 -0.657 0.000 1.064 595 V HN 0.847 nan 8.190 nan 0.000 0.472 596 S N 6.834 122.482 115.700 -0.087 0.000 2.457 596 S HA 0.844 1.598 4.470 -6.192 0.000 0.289 596 S C -0.606 174.029 174.600 0.058 0.000 1.163 596 S CA -0.707 57.480 58.200 -0.022 0.000 1.078 596 S CB 1.199 64.368 63.200 -0.051 0.000 0.987 596 S HN 0.679 nan 8.310 nan 0.000 0.482 597 L N 0.535 121.773 121.223 0.025 0.000 2.401 597 L HA 0.904 1.529 4.340 -6.192 0.000 0.266 597 L C -0.671 176.101 176.870 -0.163 0.000 0.991 597 L CA -0.999 53.818 54.840 -0.038 0.000 0.818 597 L CB 1.768 43.764 42.059 -0.105 0.000 1.321 597 L HN 0.822 nan 8.230 nan 0.000 0.413 598 E N 1.012 121.052 120.200 -0.266 0.000 2.446 598 E HA 0.654 1.289 4.350 -6.192 0.000 0.267 598 E C -1.744 174.487 176.600 -0.615 0.000 0.955 598 E CA -1.031 55.186 56.400 -0.304 0.000 0.842 598 E CB 1.780 31.516 29.700 0.060 0.000 1.504 598 E HN 0.582 nan 8.360 nan 0.000 0.438 599 Y N -0.720 119.617 120.300 0.062 0.000 2.524 599 Y HA 0.497 1.384 4.550 -6.104 0.000 0.347 599 Y C -0.414 175.567 175.900 0.135 0.000 1.005 599 Y CA -1.100 57.035 58.100 0.059 0.000 1.025 599 Y CB 2.360 40.792 38.460 -0.046 0.000 1.275 599 Y HN 0.600 nan 8.280 nan 0.000 0.460 600 R N 1.585 122.260 120.500 0.293 0.000 2.744 600 R HA 0.712 1.336 4.340 -6.192 0.000 0.279 600 R C -3.434 173.090 176.300 0.373 0.000 0.977 600 R CA -2.204 54.034 56.100 0.231 0.000 0.906 600 R CB 2.456 32.671 30.300 -0.142 0.000 1.197 600 R HN 0.245 nan 8.270 nan 0.000 0.463 601 P HA 0.038 nan 4.420 nan 0.000 0.277 601 P C 0.149 177.559 177.300 0.183 0.000 1.240 601 P CA -0.529 62.662 63.100 0.151 0.000 0.798 601 P CB 1.089 32.708 31.700 -0.134 0.000 0.979 602 V N 0.497 120.468 119.914 0.094 0.000 2.924 602 V HA 0.254 0.659 4.120 -6.192 0.000 0.305 602 V C 0.498 176.689 176.094 0.161 0.000 1.073 602 V CA -0.437 61.915 62.300 0.086 0.000 1.098 602 V CB -0.422 31.378 31.823 -0.038 0.000 1.000 602 V HN 0.267 nan 8.190 nan 0.000 0.484 603 I N 2.860 123.549 120.570 0.199 0.000 2.342 603 I HA 0.325 0.780 4.170 -6.192 0.000 0.291 603 I C 0.467 176.682 176.117 0.164 0.000 1.010 603 I CA -0.003 61.395 61.300 0.164 0.000 1.308 603 I CB 1.039 39.137 38.000 0.163 0.000 1.400 603 I HN 0.670 nan 8.210 nan 0.000 0.488 604 D N 3.767 124.259 120.400 0.154 0.000 2.463 604 D HA 0.010 0.935 4.640 -6.192 0.000 0.237 604 D C 0.384 176.791 176.300 0.178 0.000 1.013 604 D CA 0.503 54.606 54.000 0.172 0.000 0.910 604 D CB 0.267 41.163 40.800 0.159 0.000 1.080 604 D HN 0.480 nan 8.370 nan 0.000 0.498 605 K N 1.785 122.270 120.400 0.142 0.000 2.484 605 K HA 0.186 0.791 4.320 -6.192 0.000 0.280 605 K C 0.577 177.259 176.600 0.138 0.000 1.013 605 K CA 0.019 56.380 56.287 0.124 0.000 1.029 605 K CB 0.298 32.851 32.500 0.088 0.000 0.902 605 K HN -0.065 nan 8.250 nan 0.000 0.481 606 T N 0.158 114.803 114.554 0.151 0.000 2.771 606 T HA 0.162 0.797 4.350 -6.192 0.000 0.290 606 T C 1.221 175.945 174.700 0.039 0.000 1.005 606 T CA -0.823 61.386 62.100 0.182 0.000 0.944 606 T CB 0.340 69.369 68.868 0.267 0.000 1.147 606 T HN 0.556 nan 8.240 nan 0.000 0.534 607 L N -0.028 121.118 121.223 -0.129 0.000 2.313 607 L HA 0.231 0.856 4.340 -6.192 0.000 0.214 607 L C 0.815 177.583 176.870 -0.171 0.000 1.119 607 L CA 0.738 55.357 54.840 -0.368 0.000 0.809 607 L CB -0.380 41.196 42.059 -0.805 0.000 0.933 607 L HN 0.694 nan 8.230 nan 0.000 0.449 608 N N -0.875 117.833 118.700 0.014 0.000 2.875 608 N HA 0.023 1.047 4.740 -6.192 0.000 0.253 608 N C 0.328 175.905 175.510 0.112 0.000 1.296 608 N CA -0.134 52.961 53.050 0.075 0.000 0.816 608 N CB 0.805 39.341 38.487 0.082 0.000 1.504 608 N HN -0.087 nan 8.380 nan 0.000 0.582 609 E N 2.955 123.195 120.200 0.067 0.000 2.114 609 E HA -0.181 0.454 4.350 -6.192 0.000 0.199 609 E C 1.468 178.083 176.600 0.025 0.000 1.008 609 E CA 2.239 58.667 56.400 0.046 0.000 0.810 609 E CB -0.075 29.648 29.700 0.039 0.000 0.739 609 E HN 0.649 nan 8.360 nan 0.000 0.456 610 A N -0.148 122.690 122.820 0.030 0.000 2.019 610 A HA -0.159 0.445 4.320 -6.192 0.000 0.219 610 A C 2.001 179.593 177.584 0.014 0.000 1.164 610 A CA 1.870 53.917 52.037 0.017 0.000 0.644 610 A CB -0.524 18.489 19.000 0.022 0.000 0.805 610 A HN 0.402 nan 8.150 nan 0.000 0.449 611 D N -2.485 117.942 120.400 0.045 0.000 2.277 611 D HA 0.036 0.961 4.640 -6.192 0.000 0.209 611 D C 0.055 176.317 176.300 -0.065 0.000 0.970 611 D CA 0.756 54.788 54.000 0.054 0.000 0.874 611 D CB 0.324 41.234 40.800 0.183 0.000 0.982 611 D HN 0.239 nan 8.370 nan 0.000 0.504 612 C N 1.341 120.583 119.300 -0.097 0.000 2.781 612 C HA 0.793 1.538 4.460 -6.192 0.000 0.348 612 C C -0.277 174.587 174.990 -0.210 0.000 1.051 612 C CA -0.758 58.057 59.018 -0.338 0.000 1.347 612 C CB -0.563 26.731 27.740 -0.744 0.000 1.846 612 C HN 0.354 nan 8.230 nan 0.000 0.473 613 A N 4.711 127.450 122.820 -0.135 0.000 2.511 613 A HA 0.499 1.104 4.320 -6.192 0.000 0.242 613 A C 0.699 178.333 177.584 0.082 0.000 1.069 613 A CA 0.540 52.560 52.037 -0.028 0.000 0.763 613 A CB 0.155 19.125 19.000 -0.051 0.000 1.001 613 A HN 0.895 nan 8.150 nan 0.000 0.498 614 T N 2.106 116.739 114.554 0.132 0.000 2.888 614 T HA 0.311 0.945 4.350 -6.192 0.000 0.301 614 T C 0.150 175.009 174.700 0.264 0.000 1.001 614 T CA 0.053 62.296 62.100 0.238 0.000 1.147 614 T CB 0.323 69.299 68.868 0.180 0.000 0.931 614 T HN 0.401 nan 8.240 nan 0.000 0.541 615 V N 7.861 128.000 119.914 0.376 0.000 2.318 615 V HA 0.262 0.667 4.120 -6.192 0.000 0.271 615 V C -1.977 174.356 176.094 0.398 0.000 1.030 615 V CA -1.880 60.651 62.300 0.385 0.000 0.844 615 V CB 0.629 32.737 31.823 0.475 0.000 1.015 615 V HN 0.718 nan 8.190 nan 0.000 0.460 616 P HA 0.300 nan 4.420 nan 0.000 0.274 616 P C -2.661 174.371 177.300 -0.447 0.000 1.237 616 P CA -1.699 61.388 63.100 -0.021 0.000 0.793 616 P CB -0.107 31.581 31.700 -0.019 0.000 0.977 617 P HA 0.198 nan 4.420 nan 0.000 0.265 617 P C -0.726 175.678 177.300 -1.494 0.000 1.187 617 P CA 0.764 62.561 63.100 -2.172 0.000 0.766 617 P CB 0.235 30.727 31.700 -2.013 0.000 0.820 618 A N 2.530 124.417 122.820 -1.555 0.000 2.567 618 A HA 0.704 1.309 4.320 -6.192 0.000 0.289 618 A C -0.745 176.595 177.584 -0.407 0.000 1.177 618 A CA -0.785 50.880 52.037 -0.620 0.000 0.694 618 A CB 0.422 19.259 19.000 -0.271 0.000 1.292 618 A HN 0.509 nan 8.150 nan 0.000 0.425 619 I N -0.942 119.554 120.570 -0.124 0.000 2.618 619 I HA 0.559 1.014 4.170 -6.192 0.000 0.284 619 I C 0.385 176.534 176.117 0.053 0.000 1.146 619 I CA 0.214 61.504 61.300 -0.017 0.000 1.425 619 I CB 0.266 38.274 38.000 0.013 0.000 1.383 619 I HN 0.600 nan 8.210 nan 0.000 0.562 620 R N 5.058 125.624 120.500 0.110 0.000 2.371 620 R HA 0.706 1.330 4.340 -6.192 0.000 0.312 620 R C -1.426 174.931 176.300 0.095 0.000 0.980 620 R CA -0.202 55.988 56.100 0.149 0.000 0.867 620 R CB 1.018 31.517 30.300 0.333 0.000 1.163 620 R HN 0.998 nan 8.270 nan 0.000 0.492 621 S N 2.982 118.689 115.700 0.011 0.000 2.584 621 S HA 0.325 1.080 4.470 -6.192 0.000 0.280 621 S C -1.166 173.425 174.600 -0.014 0.000 1.162 621 S CA -0.878 57.359 58.200 0.062 0.000 0.951 621 S CB 0.533 63.781 63.200 0.080 0.000 1.108 621 S HN 0.440 nan 8.310 nan 0.000 0.464 622 Y N 0.000 120.332 120.300 0.054 0.000 2.660 622 Y HA 0.000 0.833 4.550 -6.195 0.000 0.201 622 Y CA 0.000 58.124 58.100 0.039 0.000 1.940 622 Y CB 0.000 38.470 38.460 0.017 0.000 1.050 622 Y HN 0.000 nan 8.280 nan 0.000 0.758