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 1wgz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTPEAAYQNL LEFQRETAYL ASLGALAAWD QRTMIPKKGH EHRARQMAAL DATA SEQUENCE ARLLHQRMTD PRIGEWLEKV EGSPLVQDPL SDAAVNVREW RQAYERARAI DATA SEQUENCE PERLAVELAQ AESEAESFWE EARPRDDWRG FLPYLKRVYA LTKEKAEVLF DATA SEQUENCE ALPPAPGDPP YGELYDALLD GYEPGMRARE LLPLFAELKE GLKGLLDRIL DATA SEQUENCE GSGKRPDTSI LHRPYPVEAQ RRFALELLSA CGYDLEAGRL DPTAHPFEIA DATA SEQUENCE IGPGDVRITT RYYEDFFNAG IFGTLHEMGH ALYEQGLPKE HWGTPRGDAV DATA SEQUENCE SLGVHESQSR TWENLVGRSL GFWERFFPRA REVFASLGDV SLEDFHFAVN DATA SEQUENCE AVEPSLIRVE ADEVTYNLHI LVRLELELAL FRGELSPEDL PEAWAEKYRD DATA SEQUENCE HLGVAPKDYK DGVMQDVHWA GGLFGYFPTY TLGNLYAAQF FQKAEAELGP DATA SEQUENCE LEPRFARGEF QPFLDWTRAR IHAEGSRFRP RVLVERVTGE APSARPFLAY DATA SEQUENCE LEKKYAALYG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.044 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.646 32.600 0.076 0.000 1.302 2 T N 1.916 116.492 114.554 0.036 0.000 2.860 2 T HA 0.419 4.769 4.350 0.001 0.000 0.299 2 T C -2.334 172.392 174.700 0.044 0.000 1.045 2 T CA -0.967 61.152 62.100 0.032 0.000 1.071 2 T CB 0.576 69.458 68.868 0.024 0.000 0.985 2 T HN 0.502 nan 8.240 nan 0.000 0.537 3 P HA -0.061 nan 4.420 nan 0.000 0.218 3 P C 1.479 178.826 177.300 0.077 0.000 1.148 3 P CA 0.823 63.958 63.100 0.058 0.000 0.822 3 P CB 0.103 31.822 31.700 0.032 0.000 0.784 4 E N 0.287 120.520 120.200 0.055 0.000 2.051 4 E HA -0.171 4.179 4.350 0.001 0.000 0.192 4 E C 1.977 178.626 176.600 0.081 0.000 0.991 4 E CA 1.749 58.194 56.400 0.075 0.000 0.799 4 E CB -1.185 28.540 29.700 0.041 0.000 0.748 4 E HN 0.052 nan 8.360 nan 0.000 0.449 5 A N 0.726 123.566 122.820 0.033 0.000 1.902 5 A HA -0.047 4.273 4.320 0.001 0.000 0.217 5 A C 2.437 179.971 177.584 -0.085 0.000 1.181 5 A CA 2.194 54.222 52.037 -0.014 0.000 0.623 5 A CB -1.025 17.974 19.000 -0.002 0.000 0.818 5 A HN 0.389 nan 8.150 nan 0.000 0.443 6 A N -1.544 121.257 122.820 -0.031 0.000 1.898 6 A HA -0.098 4.223 4.320 0.001 0.000 0.216 6 A C 2.139 179.599 177.584 -0.207 0.000 1.181 6 A CA 1.640 53.613 52.037 -0.106 0.000 0.620 6 A CB -0.806 18.266 19.000 0.121 0.000 0.819 6 A HN 0.732 nan 8.150 nan 0.000 0.442 7 Y N 0.344 120.570 120.300 -0.123 0.000 2.181 7 Y HA -0.226 4.324 4.550 0.001 0.000 0.288 7 Y C 2.518 178.332 175.900 -0.143 0.000 1.146 7 Y CA 2.174 60.235 58.100 -0.065 0.000 1.164 7 Y CB -0.182 38.291 38.460 0.022 0.000 0.982 7 Y HN 0.286 nan 8.280 nan 0.000 0.515 8 Q N 0.477 120.156 119.800 -0.202 0.000 2.050 8 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 8 Q C 1.931 177.662 176.000 -0.448 0.000 0.980 8 Q CA 1.565 57.199 55.803 -0.282 0.000 0.840 8 Q CB -0.646 28.015 28.738 -0.127 0.000 0.898 8 Q HN 0.586 nan 8.270 nan 0.000 0.424 9 N N 0.586 118.917 118.700 -0.615 0.000 2.223 9 N HA -0.142 4.598 4.740 0.001 0.000 0.185 9 N C 1.801 176.592 175.510 -1.198 0.000 1.016 9 N CA 0.613 53.106 53.050 -0.928 0.000 0.863 9 N CB -0.200 37.477 38.487 -1.350 0.000 0.983 9 N HN 0.124 nan 8.380 nan 0.000 0.429 10 L N 1.016 121.553 121.223 -1.143 0.000 2.044 10 L HA -0.001 4.340 4.340 0.001 0.000 0.205 10 L C 2.105 178.490 176.870 -0.808 0.000 1.075 10 L CA 1.072 55.379 54.840 -0.887 0.000 0.747 10 L CB -0.997 40.689 42.059 -0.621 0.000 0.903 10 L HN 0.043 nan 8.230 nan 0.000 0.435 11 L N -0.181 120.612 121.223 -0.717 0.000 2.012 11 L HA -0.226 4.115 4.340 0.001 0.000 0.210 11 L C 2.392 179.112 176.870 -0.250 0.000 1.073 11 L CA 1.883 56.465 54.840 -0.431 0.000 0.748 11 L CB -0.767 41.082 42.059 -0.350 0.000 0.891 11 L HN 0.410 nan 8.230 nan 0.000 0.431 12 E N -1.376 118.680 120.200 -0.240 0.000 2.077 12 E HA -0.265 4.085 4.350 0.001 0.000 0.193 12 E C 2.090 178.643 176.600 -0.078 0.000 0.989 12 E CA 1.531 57.859 56.400 -0.120 0.000 0.800 12 E CB -0.349 29.279 29.700 -0.120 0.000 0.746 12 E HN 0.520 nan 8.360 nan 0.000 0.452 13 F N 1.910 121.702 119.950 -0.264 0.000 2.146 13 F HA -0.196 4.332 4.527 0.001 0.000 0.298 13 F C 2.392 178.106 175.800 -0.143 0.000 1.096 13 F CA 1.326 59.236 58.000 -0.149 0.000 1.275 13 F CB 0.121 39.071 39.000 -0.083 0.000 1.008 13 F HN -0.097 nan 8.300 nan 0.000 0.480 14 Q N 0.084 119.797 119.800 -0.145 0.000 2.119 14 Q HA -0.174 4.166 4.340 0.001 0.000 0.201 14 Q C 2.416 178.355 176.000 -0.102 0.000 0.972 14 Q CA 1.281 56.963 55.803 -0.203 0.000 0.847 14 Q CB -0.639 27.792 28.738 -0.511 0.000 0.903 14 Q HN 0.439 nan 8.270 nan 0.000 0.433 15 R N 0.656 121.125 120.500 -0.052 0.000 2.092 15 R HA -0.153 4.188 4.340 0.001 0.000 0.231 15 R C 1.960 178.330 176.300 0.116 0.000 1.119 15 R CA 1.306 57.421 56.100 0.025 0.000 0.970 15 R CB 0.127 30.497 30.300 0.117 0.000 0.864 15 R HN 0.137 nan 8.270 nan 0.000 0.440 16 E N -0.476 119.750 120.200 0.043 0.000 2.077 16 E HA -0.121 4.230 4.350 0.001 0.000 0.193 16 E C 1.527 178.128 176.600 0.002 0.000 0.989 16 E CA 1.977 58.409 56.400 0.054 0.000 0.800 16 E CB -0.056 29.561 29.700 -0.139 0.000 0.746 16 E HN 0.187 nan 8.360 nan 0.000 0.452 17 T N 0.079 114.546 114.554 -0.146 0.000 2.788 17 T HA -0.116 4.234 4.350 0.001 0.000 0.268 17 T C 1.783 176.468 174.700 -0.024 0.000 1.044 17 T CA 1.213 63.243 62.100 -0.116 0.000 1.139 17 T CB -0.402 68.376 68.868 -0.149 0.000 0.867 17 T HN 0.348 nan 8.240 nan 0.000 0.454 18 A N 0.295 123.079 122.820 -0.061 0.000 1.933 18 A HA -0.072 4.248 4.320 0.001 0.000 0.218 18 A C 2.015 179.639 177.584 0.066 0.000 1.175 18 A CA 1.292 53.240 52.037 -0.148 0.000 0.628 18 A CB -0.920 17.766 19.000 -0.522 0.000 0.814 18 A HN 0.520 nan 8.150 nan 0.000 0.444 19 Y N 0.071 120.502 120.300 0.219 0.000 2.163 19 Y HA -0.118 4.432 4.550 0.001 0.000 0.288 19 Y C 2.239 178.224 175.900 0.142 0.000 1.136 19 Y CA 1.595 59.859 58.100 0.273 0.000 1.147 19 Y CB -0.422 38.143 38.460 0.176 0.000 0.987 19 Y HN 0.184 nan 8.280 nan 0.000 0.509 20 L N -1.119 120.242 121.223 0.230 0.000 2.046 20 L HA -0.225 4.116 4.340 0.001 0.000 0.208 20 L C 2.624 179.563 176.870 0.115 0.000 1.077 20 L CA 1.141 56.059 54.840 0.129 0.000 0.747 20 L CB -0.881 41.215 42.059 0.061 0.000 0.896 20 L HN 0.193 nan 8.230 nan 0.000 0.432 21 A N 0.162 123.045 122.820 0.105 0.000 1.969 21 A HA -0.188 4.133 4.320 0.001 0.000 0.218 21 A C 2.514 180.172 177.584 0.123 0.000 1.169 21 A CA 1.734 53.824 52.037 0.090 0.000 0.635 21 A CB -0.598 18.437 19.000 0.057 0.000 0.810 21 A HN 0.527 nan 8.150 nan 0.000 0.445 22 S N -0.002 115.807 115.700 0.182 0.000 2.423 22 S HA -0.055 4.415 4.470 0.001 0.000 0.231 22 S C 1.764 176.448 174.600 0.139 0.000 1.014 22 S CA 1.248 59.567 58.200 0.197 0.000 0.965 22 S CB -0.666 62.700 63.200 0.277 0.000 0.785 22 S HN 0.461 nan 8.310 nan 0.000 0.495 23 L N 1.281 122.580 121.223 0.128 0.000 2.201 23 L HA 0.038 4.378 4.340 0.001 0.000 0.212 23 L C 2.894 179.821 176.870 0.095 0.000 1.105 23 L CA 1.016 55.915 54.840 0.099 0.000 0.775 23 L CB -1.012 41.099 42.059 0.086 0.000 0.913 23 L HN 0.540 nan 8.230 nan 0.000 0.440 24 G N -0.518 108.337 108.800 0.093 0.000 2.408 24 G HA2 -0.204 3.757 3.960 0.001 0.000 0.217 24 G HA3 -0.204 3.757 3.960 0.001 0.000 0.217 24 G C 1.785 176.745 174.900 0.100 0.000 1.150 24 G CA 0.724 45.873 45.100 0.081 0.000 0.776 24 G HN 0.449 nan 8.290 nan 0.000 0.542 25 A N 0.597 123.488 122.820 0.118 0.000 1.877 25 A HA 0.028 4.349 4.320 0.001 0.000 0.216 25 A C 2.351 180.046 177.584 0.186 0.000 1.186 25 A CA 1.675 53.799 52.037 0.144 0.000 0.620 25 A CB -0.528 18.558 19.000 0.144 0.000 0.822 25 A HN 0.423 nan 8.150 nan 0.000 0.443 26 L N -0.254 121.062 121.223 0.155 0.000 2.042 26 L HA -0.097 4.243 4.340 0.001 0.000 0.210 26 L C 2.661 179.688 176.870 0.262 0.000 1.076 26 L CA 2.212 57.163 54.840 0.186 0.000 0.749 26 L CB -0.651 41.472 42.059 0.107 0.000 0.893 26 L HN 0.351 nan 8.230 nan 0.000 0.432 27 A N -0.830 122.095 122.820 0.175 0.000 1.969 27 A HA -0.022 4.298 4.320 0.001 0.000 0.218 27 A C 2.422 180.086 177.584 0.134 0.000 1.169 27 A CA 1.489 53.611 52.037 0.141 0.000 0.635 27 A CB -0.984 18.064 19.000 0.081 0.000 0.810 27 A HN 0.547 nan 8.150 nan 0.000 0.445 28 A N -1.355 121.550 122.820 0.141 0.000 1.898 28 A HA -0.120 4.200 4.320 0.001 0.000 0.216 28 A C 1.970 179.648 177.584 0.157 0.000 1.181 28 A CA 1.470 53.562 52.037 0.092 0.000 0.620 28 A CB -0.865 18.172 19.000 0.062 0.000 0.819 28 A HN 0.865 nan 8.150 nan 0.000 0.442 29 W N 1.068 122.448 121.300 0.133 0.000 2.355 29 W HA -0.211 4.449 4.660 0.001 0.000 0.309 29 W C 1.651 178.283 176.519 0.189 0.000 1.206 29 W CA 2.007 59.508 57.345 0.259 0.000 1.284 29 W CB -0.395 29.190 29.460 0.209 0.000 1.145 29 W HN 0.480 nan 8.180 nan 0.000 0.502 30 D N -0.459 120.079 120.400 0.231 0.000 2.123 30 D HA -0.310 4.331 4.640 0.001 0.000 0.196 30 D C 2.206 178.414 176.300 -0.154 0.000 0.992 30 D CA 1.707 55.684 54.000 -0.038 0.000 0.833 30 D CB -0.474 40.440 40.800 0.191 0.000 0.954 30 D HN 0.135 nan 8.370 nan 0.000 0.455 31 Q N -0.017 119.742 119.800 -0.069 0.000 2.234 31 Q HA -0.136 4.204 4.340 0.001 0.000 0.206 31 Q C 1.485 177.441 176.000 -0.073 0.000 0.980 31 Q CA 1.053 56.798 55.803 -0.096 0.000 0.869 31 Q CB 0.107 28.816 28.738 -0.049 0.000 0.912 31 Q HN 0.408 nan 8.270 nan 0.000 0.436 32 R N -0.998 119.441 120.500 -0.101 0.000 2.362 32 R HA 0.074 4.414 4.340 0.001 0.000 0.227 32 R C 1.641 177.866 176.300 -0.126 0.000 0.905 32 R CA 0.998 57.072 56.100 -0.043 0.000 1.067 32 R CB 0.634 30.963 30.300 0.047 0.000 1.078 32 R HN 0.317 nan 8.270 nan 0.000 0.516 33 T N -3.207 111.140 114.554 -0.345 0.000 3.280 33 T HA 0.134 4.485 4.350 0.001 0.000 0.256 33 T C 1.632 176.154 174.700 -0.297 0.000 0.995 33 T CA -0.264 61.587 62.100 -0.414 0.000 1.144 33 T CB 0.166 68.511 68.868 -0.870 0.000 1.140 33 T HN -0.180 nan 8.240 nan 0.000 0.423 34 M N 1.004 120.397 119.600 -0.345 0.000 2.486 34 M HA 0.498 4.979 4.480 0.001 0.000 0.264 34 M C 1.043 177.294 176.300 -0.080 0.000 1.125 34 M CA -0.558 54.656 55.300 -0.145 0.000 1.144 34 M CB -0.784 31.780 32.600 -0.060 0.000 1.353 34 M HN 0.336 nan 8.290 nan 0.000 0.466 35 I N 3.304 123.808 120.570 -0.110 0.000 2.919 35 I HA -0.048 4.122 4.170 0.001 0.000 0.303 35 I C -1.793 174.282 176.117 -0.070 0.000 1.221 35 I CA -1.029 60.204 61.300 -0.113 0.000 1.444 35 I CB 0.654 38.511 38.000 -0.238 0.000 1.331 35 I HN 0.039 nan 8.210 nan 0.000 0.572 36 P HA 0.060 nan 4.420 nan 0.000 0.272 36 P C 0.101 177.438 177.300 0.062 0.000 1.223 36 P CA -0.399 62.706 63.100 0.009 0.000 0.784 36 P CB 0.599 32.303 31.700 0.007 0.000 0.923 37 K N 1.842 122.306 120.400 0.106 0.000 2.113 37 K HA -0.197 4.123 4.320 0.001 0.000 0.208 37 K C 0.795 177.524 176.600 0.215 0.000 1.047 37 K CA 1.610 57.998 56.287 0.168 0.000 0.928 37 K CB -0.024 32.525 32.500 0.082 0.000 0.716 37 K HN 0.310 nan 8.250 nan 0.000 0.446 38 K N -0.883 119.593 120.400 0.127 0.000 2.387 38 K HA 0.072 4.393 4.320 0.001 0.000 0.198 38 K C 1.119 177.781 176.600 0.102 0.000 1.022 38 K CA 0.309 56.662 56.287 0.110 0.000 1.128 38 K CB 0.934 33.469 32.500 0.058 0.000 0.853 38 K HN 0.227 nan 8.250 nan 0.000 0.523 39 G N -0.212 108.632 108.800 0.073 0.000 3.233 39 G HA2 -0.051 3.909 3.960 0.001 0.000 0.234 39 G HA3 -0.051 3.909 3.960 0.001 0.000 0.234 39 G C 0.744 175.631 174.900 -0.022 0.000 1.137 39 G CA -0.209 44.900 45.100 0.016 0.000 0.763 39 G HN 0.284 nan 8.290 nan 0.000 0.549 40 H N 1.113 120.215 119.070 0.053 0.000 2.326 40 H HA -0.051 4.505 4.556 0.001 0.000 0.301 40 H C 2.201 177.556 175.328 0.045 0.000 1.081 40 H CA 1.541 57.613 56.048 0.040 0.000 1.334 40 H CB 0.271 30.046 29.762 0.022 0.000 1.385 40 H HN 0.510 nan 8.280 nan 0.000 0.504 41 E N 0.085 120.389 120.200 0.173 0.000 2.085 41 E HA -0.236 4.114 4.350 0.001 0.000 0.194 41 E C 2.140 178.803 176.600 0.104 0.000 0.994 41 E CA 1.299 57.769 56.400 0.117 0.000 0.801 41 E CB -0.230 29.531 29.700 0.103 0.000 0.743 41 E HN 0.529 nan 8.360 nan 0.000 0.453 42 H N 0.816 119.905 119.070 0.030 0.000 2.389 42 H HA -0.027 4.530 4.556 0.001 0.000 0.299 42 H C 2.102 177.437 175.328 0.011 0.000 1.081 42 H CA 1.630 57.688 56.048 0.017 0.000 1.345 42 H CB 0.171 29.938 29.762 0.009 0.000 1.393 42 H HN -0.117 nan 8.280 nan 0.000 0.520 43 R N 0.913 121.389 120.500 -0.040 0.000 2.081 43 R HA -0.007 4.333 4.340 0.001 0.000 0.235 43 R C 2.350 178.592 176.300 -0.097 0.000 1.131 43 R CA 1.629 57.671 56.100 -0.097 0.000 0.960 43 R CB -1.155 29.110 30.300 -0.058 0.000 0.856 43 R HN 0.418 nan 8.270 nan 0.000 0.436 44 A N 0.560 123.357 122.820 -0.039 0.000 1.883 44 A HA -0.186 4.134 4.320 0.001 0.000 0.217 44 A C 2.244 179.795 177.584 -0.055 0.000 1.186 44 A CA 1.833 53.856 52.037 -0.022 0.000 0.624 44 A CB -0.498 18.510 19.000 0.015 0.000 0.822 44 A HN 0.410 nan 8.150 nan 0.000 0.444 45 R N -0.641 119.806 120.500 -0.088 0.000 2.081 45 R HA -0.152 4.188 4.340 0.001 0.000 0.235 45 R C 2.521 178.739 176.300 -0.137 0.000 1.131 45 R CA 1.766 57.807 56.100 -0.098 0.000 0.960 45 R CB -0.344 29.899 30.300 -0.095 0.000 0.856 45 R HN 0.708 nan 8.270 nan 0.000 0.436 46 Q N -0.400 119.256 119.800 -0.240 0.000 2.050 46 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 46 Q C 2.100 178.052 176.000 -0.079 0.000 0.980 46 Q CA 1.247 56.940 55.803 -0.184 0.000 0.840 46 Q CB -0.034 28.569 28.738 -0.226 0.000 0.898 46 Q HN 0.234 nan 8.270 nan 0.000 0.424 47 M N 0.133 119.695 119.600 -0.063 0.000 2.117 47 M HA -0.122 4.359 4.480 0.001 0.000 0.262 47 M C 2.315 178.607 176.300 -0.014 0.000 1.065 47 M CA 1.551 56.837 55.300 -0.024 0.000 1.114 47 M CB -1.350 31.240 32.600 -0.016 0.000 1.361 47 M HN 0.252 nan 8.290 nan 0.000 0.408 48 A N 0.204 123.011 122.820 -0.022 0.000 1.908 48 A HA -0.028 4.293 4.320 0.001 0.000 0.218 48 A C 2.456 180.038 177.584 -0.003 0.000 1.181 48 A CA 2.301 54.332 52.037 -0.011 0.000 0.627 48 A CB -0.953 18.039 19.000 -0.013 0.000 0.818 48 A HN 0.485 nan 8.150 nan 0.000 0.445 49 A N -0.679 122.135 122.820 -0.011 0.000 1.898 49 A HA -0.001 4.319 4.320 0.001 0.000 0.216 49 A C 2.122 179.715 177.584 0.015 0.000 1.181 49 A CA 1.676 53.714 52.037 0.002 0.000 0.620 49 A CB -0.591 18.405 19.000 -0.006 0.000 0.819 49 A HN 0.681 nan 8.150 nan 0.000 0.442 50 L N -0.215 121.015 121.223 0.012 0.000 2.083 50 L HA -0.041 4.300 4.340 0.001 0.000 0.209 50 L C 2.639 179.532 176.870 0.038 0.000 1.083 50 L CA 2.034 56.890 54.840 0.026 0.000 0.752 50 L CB -0.764 41.311 42.059 0.026 0.000 0.899 50 L HN 0.346 nan 8.230 nan 0.000 0.433 51 A N -0.295 122.545 122.820 0.033 0.000 1.883 51 A HA -0.236 4.084 4.320 0.001 0.000 0.217 51 A C 2.417 180.045 177.584 0.073 0.000 1.186 51 A CA 1.889 53.953 52.037 0.045 0.000 0.624 51 A CB -0.552 18.461 19.000 0.022 0.000 0.822 51 A HN 0.502 nan 8.150 nan 0.000 0.444 52 R N -1.125 119.410 120.500 0.059 0.000 2.083 52 R HA -0.148 4.192 4.340 0.001 0.000 0.237 52 R C 2.178 178.540 176.300 0.104 0.000 1.137 52 R CA 1.521 57.672 56.100 0.086 0.000 0.951 52 R CB -0.700 29.633 30.300 0.055 0.000 0.851 52 R HN 0.520 nan 8.270 nan 0.000 0.434 53 L N 1.303 122.569 121.223 0.071 0.000 2.012 53 L HA -0.168 4.172 4.340 0.001 0.000 0.210 53 L C 1.948 178.858 176.870 0.066 0.000 1.073 53 L CA 1.741 56.617 54.840 0.060 0.000 0.748 53 L CB -0.420 41.663 42.059 0.041 0.000 0.891 53 L HN 0.144 nan 8.230 nan 0.000 0.431 54 L N -1.284 119.983 121.223 0.074 0.000 2.093 54 L HA -0.205 4.136 4.340 0.001 0.000 0.208 54 L C 2.638 179.568 176.870 0.100 0.000 1.085 54 L CA 1.340 56.224 54.840 0.073 0.000 0.755 54 L CB -0.886 41.216 42.059 0.071 0.000 0.904 54 L HN 0.437 nan 8.230 nan 0.000 0.435 55 H N -0.146 118.946 119.070 0.037 0.000 2.387 55 H HA -0.155 4.401 4.556 0.001 0.000 0.299 55 H C 2.359 177.716 175.328 0.049 0.000 1.090 55 H CA 1.524 57.593 56.048 0.037 0.000 1.332 55 H CB 0.205 29.981 29.762 0.024 0.000 1.386 55 H HN 0.195 nan 8.280 nan 0.000 0.516 56 Q N 0.511 120.310 119.800 -0.002 0.000 1.990 56 Q HA -0.102 4.239 4.340 0.001 0.000 0.200 56 Q C 2.487 178.499 176.000 0.020 0.000 0.980 56 Q CA 1.440 57.229 55.803 -0.023 0.000 0.832 56 Q CB -0.234 28.532 28.738 0.046 0.000 0.897 56 Q HN 0.543 nan 8.270 nan 0.000 0.427 57 R N -0.112 120.436 120.500 0.080 0.000 2.127 57 R HA -0.062 4.278 4.340 0.001 0.000 0.238 57 R C 2.238 178.670 176.300 0.220 0.000 1.134 57 R CA 1.234 57.444 56.100 0.184 0.000 0.975 57 R CB -0.224 30.101 30.300 0.042 0.000 0.865 57 R HN 0.272 nan 8.270 nan 0.000 0.447 58 M N -0.258 119.399 119.600 0.096 0.000 2.492 58 M HA -0.048 4.432 4.480 0.001 0.000 0.262 58 M C 1.297 177.656 176.300 0.097 0.000 1.090 58 M CA 1.240 56.605 55.300 0.108 0.000 1.110 58 M CB 0.354 32.994 32.600 0.067 0.000 1.407 58 M HN 0.150 nan 8.290 nan 0.000 0.470 59 T N -3.966 110.575 114.554 -0.021 0.000 3.132 59 T HA 0.105 4.455 4.350 0.001 0.000 0.274 59 T C 0.262 174.996 174.700 0.056 0.000 1.011 59 T CA -0.577 61.484 62.100 -0.065 0.000 0.899 59 T CB -0.139 68.556 68.868 -0.288 0.000 1.089 59 T HN 0.113 nan 8.240 nan 0.000 0.543 60 D N 3.768 124.222 120.400 0.090 0.000 2.487 60 D HA 0.025 4.665 4.640 0.001 0.000 0.243 60 D C -0.958 175.324 176.300 -0.030 0.000 1.154 60 D CA -1.337 52.662 54.000 -0.000 0.000 0.876 60 D CB 1.691 42.466 40.800 -0.041 0.000 1.161 60 D HN 0.105 nan 8.370 nan 0.000 0.478 61 P HA -0.147 nan 4.420 nan 0.000 0.221 61 P C 1.137 178.237 177.300 -0.334 0.000 1.145 61 P CA 0.810 63.852 63.100 -0.098 0.000 0.795 61 P CB 0.293 31.929 31.700 -0.107 0.000 0.775 62 R N -0.405 119.763 120.500 -0.555 0.000 2.115 62 R HA -0.005 4.335 4.340 0.001 0.000 0.230 62 R C 2.551 178.159 176.300 -1.155 0.000 1.111 62 R CA 0.912 56.388 56.100 -1.040 0.000 0.976 62 R CB -0.679 28.785 30.300 -1.393 0.000 0.870 62 R HN 0.256 nan 8.270 nan 0.000 0.445 63 I N -0.127 119.983 120.570 -0.766 0.000 2.264 63 I HA -0.213 3.957 4.170 0.001 0.000 0.248 63 I C 2.466 178.150 176.117 -0.723 0.000 1.111 63 I CA 1.483 62.424 61.300 -0.599 0.000 1.382 63 I CB -0.580 37.074 38.000 -0.577 0.000 1.060 63 I HN 0.315 nan 8.210 nan 0.000 0.418 64 G N 0.341 108.658 108.800 -0.805 0.000 2.402 64 G HA2 -0.204 3.756 3.960 0.001 0.000 0.216 64 G HA3 -0.204 3.756 3.960 0.001 0.000 0.216 64 G C 1.487 176.213 174.900 -0.290 0.000 1.162 64 G CA 0.490 45.294 45.100 -0.494 0.000 0.777 64 G HN 0.398 nan 8.290 nan 0.000 0.539 65 E N -0.309 119.669 120.200 -0.369 0.000 2.038 65 E HA -0.158 4.192 4.350 0.001 0.000 0.195 65 E C 2.343 178.835 176.600 -0.180 0.000 1.000 65 E CA 1.211 57.421 56.400 -0.316 0.000 0.803 65 E CB -0.165 29.240 29.700 -0.492 0.000 0.750 65 E HN 0.545 nan 8.360 nan 0.000 0.448 66 W N 0.929 122.123 121.300 -0.177 0.000 2.358 66 W HA -0.084 4.576 4.660 0.001 0.000 0.303 66 W C 2.126 178.591 176.519 -0.091 0.000 1.208 66 W CA 0.557 57.819 57.345 -0.137 0.000 1.274 66 W CB -1.082 28.264 29.460 -0.190 0.000 1.138 66 W HN 0.139 nan 8.180 nan 0.000 0.515 67 L N 0.156 121.435 121.223 0.092 0.000 1.989 67 L HA -0.262 4.078 4.340 0.001 0.000 0.211 67 L C 2.502 179.408 176.870 0.061 0.000 1.071 67 L CA 2.106 56.988 54.840 0.069 0.000 0.749 67 L CB -1.071 40.975 42.059 -0.021 0.000 0.890 67 L HN 0.027 nan 8.230 nan 0.000 0.431 68 E N 0.490 120.700 120.200 0.016 0.000 2.130 68 E HA -0.316 4.035 4.350 0.001 0.000 0.196 68 E C 2.016 178.638 176.600 0.036 0.000 0.998 68 E CA 1.665 58.075 56.400 0.017 0.000 0.806 68 E CB 0.091 29.784 29.700 -0.012 0.000 0.738 68 E HN 0.116 nan 8.360 nan 0.000 0.459 69 K N -0.291 120.145 120.400 0.060 0.000 2.365 69 K HA 0.034 4.354 4.320 0.001 0.000 0.197 69 K C 1.523 178.171 176.600 0.080 0.000 1.042 69 K CA 0.456 56.785 56.287 0.071 0.000 0.987 69 K CB 0.398 32.958 32.500 0.099 0.000 0.779 69 K HN 0.059 nan 8.250 nan 0.000 0.484 70 V N 0.346 120.319 119.914 0.100 0.000 2.795 70 V HA 0.068 4.188 4.120 0.001 0.000 0.243 70 V C 0.170 176.304 176.094 0.067 0.000 1.069 70 V CA 0.232 62.593 62.300 0.102 0.000 1.089 70 V CB -0.099 31.830 31.823 0.178 0.000 0.756 70 V HN 0.208 nan 8.190 nan 0.000 0.471 71 E N 0.391 120.630 120.200 0.066 0.000 2.413 71 E HA 0.327 4.677 4.350 0.001 0.000 0.263 71 E C 1.269 177.883 176.600 0.023 0.000 1.015 71 E CA 0.811 57.237 56.400 0.043 0.000 0.916 71 E CB 0.420 30.147 29.700 0.044 0.000 0.947 71 E HN 0.428 nan 8.360 nan 0.000 0.440 72 G N 2.438 111.244 108.800 0.010 0.000 2.205 72 G HA2 -0.349 3.611 3.960 0.001 0.000 0.261 72 G HA3 -0.349 3.611 3.960 0.001 0.000 0.261 72 G C 0.409 175.308 174.900 -0.002 0.000 0.980 72 G CA 0.467 45.568 45.100 0.003 0.000 0.632 72 G HN 0.687 nan 8.290 nan 0.000 0.533 73 S N 0.388 116.087 115.700 -0.001 0.000 2.614 73 S HA 0.619 5.090 4.470 0.001 0.000 0.265 73 S C -0.722 173.863 174.600 -0.024 0.000 1.303 73 S CA -0.451 57.744 58.200 -0.008 0.000 1.000 73 S CB 2.029 65.227 63.200 -0.003 0.000 0.935 73 S HN 0.003 nan 8.310 nan 0.000 0.551 74 P HA -0.076 nan 4.420 nan 0.000 0.216 74 P C 1.613 178.880 177.300 -0.055 0.000 1.150 74 P CA 0.443 63.523 63.100 -0.034 0.000 0.837 74 P CB -0.081 31.602 31.700 -0.029 0.000 0.786 75 L N -0.929 120.252 121.223 -0.071 0.000 2.211 75 L HA -0.159 4.181 4.340 0.001 0.000 0.216 75 L C 1.639 178.421 176.870 -0.147 0.000 1.092 75 L CA 1.844 56.610 54.840 -0.122 0.000 0.767 75 L CB -0.514 41.454 42.059 -0.152 0.000 0.894 75 L HN -0.141 nan 8.230 nan 0.000 0.437 76 V N -1.688 118.164 119.914 -0.103 0.000 3.380 76 V HA 0.049 4.170 4.120 0.001 0.000 0.307 76 V C 1.806 177.859 176.094 -0.068 0.000 1.434 76 V CA 0.080 62.323 62.300 -0.095 0.000 1.075 76 V CB 0.493 32.278 31.823 -0.063 0.000 0.954 76 V HN 0.408 nan 8.190 nan 0.000 0.444 77 Q N 0.149 119.915 119.800 -0.057 0.000 2.124 77 Q HA -0.137 4.203 4.340 0.001 0.000 0.202 77 Q C 0.914 176.888 176.000 -0.044 0.000 0.977 77 Q CA 1.104 56.881 55.803 -0.042 0.000 0.850 77 Q CB 0.070 28.788 28.738 -0.034 0.000 0.901 77 Q HN 0.502 nan 8.270 nan 0.000 0.429 78 D N 0.668 121.035 120.400 -0.055 0.000 2.336 78 D HA 0.019 4.660 4.640 0.001 0.000 0.249 78 D C -1.656 174.603 176.300 -0.068 0.000 1.213 78 D CA -2.119 51.850 54.000 -0.052 0.000 0.870 78 D CB 1.208 41.976 40.800 -0.053 0.000 1.076 78 D HN 0.005 nan 8.370 nan 0.000 0.483 79 P HA -0.140 nan 4.420 nan 0.000 0.223 79 P C 1.184 178.414 177.300 -0.116 0.000 1.144 79 P CA 0.382 63.440 63.100 -0.071 0.000 0.783 79 P CB 0.507 32.185 31.700 -0.037 0.000 0.771 80 L N -0.199 120.961 121.223 -0.106 0.000 2.567 80 L HA 0.095 4.435 4.340 0.001 0.000 0.225 80 L C 1.396 178.155 176.870 -0.185 0.000 1.119 80 L CA 0.416 55.156 54.840 -0.167 0.000 0.871 80 L CB -0.857 41.163 42.059 -0.064 0.000 1.036 80 L HN -0.032 nan 8.230 nan 0.000 0.459 81 S N -1.888 113.723 115.700 -0.149 0.000 2.592 81 S HA 0.101 4.571 4.470 0.001 0.000 0.271 81 S C 0.877 175.364 174.600 -0.187 0.000 1.326 81 S CA -0.706 57.406 58.200 -0.146 0.000 1.024 81 S CB 0.986 64.110 63.200 -0.127 0.000 0.921 81 S HN 0.140 nan 8.310 nan 0.000 0.527 82 D N 2.283 122.580 120.400 -0.170 0.000 2.106 82 D HA -0.154 4.486 4.640 0.001 0.000 0.191 82 D C 2.276 178.472 176.300 -0.173 0.000 0.997 82 D CA 2.118 56.004 54.000 -0.190 0.000 0.834 82 D CB -1.060 39.686 40.800 -0.089 0.000 0.956 82 D HN 0.747 nan 8.370 nan 0.000 0.448 83 A N 1.053 123.764 122.820 -0.182 0.000 1.892 83 A HA -0.136 4.185 4.320 0.001 0.000 0.218 83 A C 2.344 179.824 177.584 -0.174 0.000 1.188 83 A CA 2.871 54.745 52.037 -0.272 0.000 0.631 83 A CB -0.907 17.661 19.000 -0.719 0.000 0.822 83 A HN 0.275 nan 8.150 nan 0.000 0.447 84 A N -0.821 121.890 122.820 -0.182 0.000 1.902 84 A HA 0.030 4.351 4.320 0.001 0.000 0.217 84 A C 2.254 179.734 177.584 -0.172 0.000 1.181 84 A CA 1.720 53.672 52.037 -0.142 0.000 0.623 84 A CB -0.952 17.971 19.000 -0.128 0.000 0.818 84 A HN 0.393 nan 8.150 nan 0.000 0.443 85 V N 1.030 120.808 119.914 -0.227 0.000 2.255 85 V HA -0.292 3.829 4.120 0.001 0.000 0.247 85 V C 2.389 178.274 176.094 -0.349 0.000 1.051 85 V CA 2.287 64.422 62.300 -0.275 0.000 1.018 85 V CB -0.961 30.668 31.823 -0.324 0.000 0.641 85 V HN 0.564 nan 8.190 nan 0.000 0.445 86 N N 0.116 118.542 118.700 -0.457 0.000 2.058 86 N HA -0.132 4.608 4.740 0.001 0.000 0.191 86 N C 1.756 176.736 175.510 -0.883 0.000 1.037 86 N CA 1.506 54.008 53.050 -0.912 0.000 0.848 86 N CB -0.684 37.118 38.487 -1.143 0.000 1.021 86 N HN 0.337 nan 8.380 nan 0.000 0.422 87 V N 1.654 121.388 119.914 -0.300 0.000 2.407 87 V HA -0.182 3.938 4.120 0.001 0.000 0.248 87 V C 2.553 178.671 176.094 0.040 0.000 1.055 87 V CA 1.408 63.768 62.300 0.101 0.000 1.049 87 V CB -0.473 31.465 31.823 0.192 0.000 0.662 87 V HN 0.332 nan 8.190 nan 0.000 0.455 88 R N 0.378 120.838 120.500 -0.067 0.000 2.083 88 R HA -0.257 4.083 4.340 0.001 0.000 0.237 88 R C 2.300 178.586 176.300 -0.022 0.000 1.137 88 R CA 2.288 58.365 56.100 -0.039 0.000 0.951 88 R CB -0.243 30.011 30.300 -0.076 0.000 0.851 88 R HN 0.520 nan 8.270 nan 0.000 0.434 89 E N 0.038 120.174 120.200 -0.107 0.000 2.046 89 E HA -0.161 4.189 4.350 0.001 0.000 0.190 89 E C 1.674 178.326 176.600 0.087 0.000 0.982 89 E CA 1.481 57.839 56.400 -0.070 0.000 0.800 89 E CB -0.398 29.184 29.700 -0.196 0.000 0.756 89 E HN 0.405 nan 8.360 nan 0.000 0.449 90 W N 1.074 122.395 121.300 0.036 0.000 2.338 90 W HA -0.101 4.560 4.660 0.001 0.000 0.304 90 W C 2.502 179.074 176.519 0.089 0.000 1.212 90 W CA 1.373 58.751 57.345 0.056 0.000 1.264 90 W CB -1.143 28.343 29.460 0.042 0.000 1.142 90 W HN 0.212 nan 8.180 nan 0.000 0.512 91 R N 0.931 121.609 120.500 0.297 0.000 2.070 91 R HA -0.202 4.138 4.340 0.001 0.000 0.233 91 R C 2.282 178.711 176.300 0.215 0.000 1.137 91 R CA 2.224 58.461 56.100 0.228 0.000 0.945 91 R CB -1.030 29.361 30.300 0.151 0.000 0.845 91 R HN 0.187 nan 8.270 nan 0.000 0.430 92 Q N -0.681 119.208 119.800 0.149 0.000 2.170 92 Q HA -0.124 4.216 4.340 0.001 0.000 0.203 92 Q C 1.758 177.831 176.000 0.121 0.000 0.976 92 Q CA 1.663 57.532 55.803 0.110 0.000 0.858 92 Q CB -0.128 28.653 28.738 0.072 0.000 0.907 92 Q HN 0.494 nan 8.270 nan 0.000 0.433 93 A N -0.247 122.669 122.820 0.161 0.000 1.897 93 A HA -0.170 4.151 4.320 0.001 0.000 0.215 93 A C 1.832 179.515 177.584 0.166 0.000 1.181 93 A CA 1.109 53.236 52.037 0.150 0.000 0.620 93 A CB -0.961 18.148 19.000 0.182 0.000 0.821 93 A HN 0.638 nan 8.150 nan 0.000 0.443 94 Y N 0.985 121.336 120.300 0.086 0.000 2.097 94 Y HA -0.223 4.328 4.550 0.001 0.000 0.282 94 Y C 2.393 178.313 175.900 0.033 0.000 1.152 94 Y CA 2.260 60.392 58.100 0.054 0.000 1.136 94 Y CB -0.164 38.331 38.460 0.058 0.000 0.975 94 Y HN 0.312 nan 8.280 nan 0.000 0.498 95 E N 0.416 120.654 120.200 0.063 0.000 2.085 95 E HA -0.225 4.125 4.350 0.001 0.000 0.194 95 E C 2.255 178.814 176.600 -0.068 0.000 0.994 95 E CA 1.724 58.101 56.400 -0.038 0.000 0.801 95 E CB -0.331 29.402 29.700 0.054 0.000 0.743 95 E HN 0.590 nan 8.360 nan 0.000 0.453 96 R N 0.237 120.729 120.500 -0.014 0.000 2.115 96 R HA 0.068 4.408 4.340 0.001 0.000 0.226 96 R C 2.283 178.568 176.300 -0.025 0.000 1.100 96 R CA 0.947 57.044 56.100 -0.006 0.000 0.980 96 R CB -0.191 30.121 30.300 0.020 0.000 0.875 96 R HN 0.075 nan 8.270 nan 0.000 0.445 97 A N 1.288 124.081 122.820 -0.045 0.000 1.929 97 A HA -0.062 4.258 4.320 0.001 0.000 0.216 97 A C 1.938 179.468 177.584 -0.090 0.000 1.176 97 A CA 0.825 52.842 52.037 -0.033 0.000 0.628 97 A CB -0.080 18.900 19.000 -0.032 0.000 0.816 97 A HN 0.076 nan 8.150 nan 0.000 0.444 98 R N -0.451 119.914 120.500 -0.225 0.000 2.200 98 R HA 0.124 4.465 4.340 0.001 0.000 0.208 98 R C 2.108 178.333 176.300 -0.126 0.000 1.033 98 R CA 1.049 57.002 56.100 -0.245 0.000 1.000 98 R CB -0.595 29.433 30.300 -0.453 0.000 0.906 98 R HN 0.496 nan 8.270 nan 0.000 0.462 99 A N 1.171 123.938 122.820 -0.089 0.000 2.016 99 A HA 0.068 4.389 4.320 0.001 0.000 0.217 99 A C 1.010 178.582 177.584 -0.019 0.000 1.162 99 A CA 0.347 52.357 52.037 -0.045 0.000 0.662 99 A CB 0.089 19.073 19.000 -0.028 0.000 0.812 99 A HN -0.011 nan 8.150 nan 0.000 0.450 100 I N 1.499 122.064 120.570 -0.008 0.000 2.363 100 I HA 0.208 4.379 4.170 0.001 0.000 0.292 100 I C -2.536 173.586 176.117 0.008 0.000 1.075 100 I CA -2.740 58.563 61.300 0.004 0.000 1.333 100 I CB 0.194 38.201 38.000 0.012 0.000 1.415 100 I HN -0.010 nan 8.210 nan 0.000 0.502 101 P HA 0.050 nan 4.420 nan 0.000 0.264 101 P C 0.834 178.134 177.300 -0.000 0.000 1.193 101 P CA -0.123 62.978 63.100 0.000 0.000 0.763 101 P CB 0.664 32.360 31.700 -0.006 0.000 0.810 102 E N 3.190 123.395 120.200 0.008 0.000 2.171 102 E HA -0.253 4.097 4.350 0.001 0.000 0.197 102 E C 1.759 178.346 176.600 -0.023 0.000 0.997 102 E CA 1.190 57.586 56.400 -0.007 0.000 0.810 102 E CB -0.297 29.410 29.700 0.012 0.000 0.738 102 E HN 0.486 nan 8.360 nan 0.000 0.467 103 R N 0.793 121.284 120.500 -0.015 0.000 2.091 103 R HA -0.161 4.180 4.340 0.001 0.000 0.238 103 R C 2.371 178.658 176.300 -0.022 0.000 1.136 103 R CA 1.194 57.283 56.100 -0.018 0.000 0.959 103 R CB -0.327 29.963 30.300 -0.015 0.000 0.856 103 R HN 0.188 nan 8.270 nan 0.000 0.437 104 L N 0.799 122.010 121.223 -0.020 0.000 2.072 104 L HA 0.033 4.373 4.340 0.001 0.000 0.205 104 L C 2.374 179.231 176.870 -0.023 0.000 1.079 104 L CA 2.048 56.875 54.840 -0.021 0.000 0.752 104 L CB -0.733 41.316 42.059 -0.017 0.000 0.906 104 L HN 0.228 nan 8.230 nan 0.000 0.436 105 A N -0.989 121.812 122.820 -0.031 0.000 1.908 105 A HA -0.157 4.164 4.320 0.001 0.000 0.218 105 A C 2.246 179.801 177.584 -0.048 0.000 1.181 105 A CA 2.123 54.132 52.037 -0.047 0.000 0.627 105 A CB -1.126 17.820 19.000 -0.090 0.000 0.818 105 A HN 0.304 nan 8.150 nan 0.000 0.445 106 V N -0.017 119.867 119.914 -0.050 0.000 2.295 106 V HA -0.266 3.854 4.120 0.001 0.000 0.246 106 V C 2.411 178.493 176.094 -0.021 0.000 1.049 106 V CA 2.309 64.585 62.300 -0.040 0.000 1.024 106 V CB -0.874 30.927 31.823 -0.036 0.000 0.648 106 V HN 0.635 nan 8.190 nan 0.000 0.447 107 E N -0.276 119.913 120.200 -0.018 0.000 2.072 107 E HA -0.214 4.136 4.350 0.001 0.000 0.191 107 E C 2.116 178.715 176.600 -0.002 0.000 0.985 107 E CA 1.208 57.601 56.400 -0.012 0.000 0.801 107 E CB -0.191 29.497 29.700 -0.020 0.000 0.750 107 E HN 0.402 nan 8.360 nan 0.000 0.452 108 L N 1.020 122.243 121.223 -0.001 0.000 2.027 108 L HA -0.090 4.251 4.340 0.001 0.000 0.206 108 L C 2.218 179.106 176.870 0.029 0.000 1.074 108 L CA 2.005 56.855 54.840 0.018 0.000 0.745 108 L CB -0.703 41.368 42.059 0.020 0.000 0.898 108 L HN 0.028 nan 8.230 nan 0.000 0.433 109 A N -1.021 121.807 122.820 0.014 0.000 1.940 109 A HA -0.298 4.022 4.320 0.001 0.000 0.219 109 A C 2.261 179.860 177.584 0.025 0.000 1.176 109 A CA 1.933 53.979 52.037 0.014 0.000 0.631 109 A CB -0.692 18.303 19.000 -0.009 0.000 0.814 109 A HN 0.610 nan 8.150 nan 0.000 0.446 110 Q N -0.217 119.597 119.800 0.022 0.000 2.016 110 Q HA 0.039 4.379 4.340 0.001 0.000 0.200 110 Q C 2.084 178.118 176.000 0.057 0.000 0.978 110 Q CA 2.225 58.048 55.803 0.033 0.000 0.833 110 Q CB -0.657 28.093 28.738 0.020 0.000 0.895 110 Q HN 0.517 nan 8.270 nan 0.000 0.427 111 A N 0.396 123.249 122.820 0.054 0.000 1.933 111 A HA -0.216 4.104 4.320 0.001 0.000 0.218 111 A C 1.898 179.550 177.584 0.114 0.000 1.175 111 A CA 1.733 53.818 52.037 0.079 0.000 0.628 111 A CB -0.595 18.433 19.000 0.047 0.000 0.814 111 A HN 0.589 nan 8.150 nan 0.000 0.444 112 E N -0.650 119.607 120.200 0.096 0.000 2.106 112 E HA -0.120 4.230 4.350 0.001 0.000 0.192 112 E C 2.230 178.888 176.600 0.096 0.000 0.984 112 E CA 1.111 57.573 56.400 0.104 0.000 0.806 112 E CB -0.194 29.555 29.700 0.082 0.000 0.750 112 E HN 0.583 nan 8.360 nan 0.000 0.458 113 S N 0.643 116.390 115.700 0.079 0.000 2.368 113 S HA -0.181 4.289 4.470 0.001 0.000 0.224 113 S C 1.818 176.476 174.600 0.097 0.000 1.029 113 S CA 1.146 59.389 58.200 0.071 0.000 0.988 113 S CB -0.065 63.167 63.200 0.053 0.000 0.838 113 S HN 0.216 nan 8.310 nan 0.000 0.462 114 E N 0.735 121.011 120.200 0.126 0.000 2.072 114 E HA -0.029 4.321 4.350 0.001 0.000 0.191 114 E C 2.409 179.076 176.600 0.111 0.000 0.985 114 E CA 0.956 57.451 56.400 0.159 0.000 0.801 114 E CB -0.287 29.576 29.700 0.272 0.000 0.750 114 E HN 0.629 nan 8.360 nan 0.000 0.452 115 A N 1.617 124.556 122.820 0.199 0.000 1.898 115 A HA -0.213 4.108 4.320 0.001 0.000 0.216 115 A C 1.947 179.739 177.584 0.347 0.000 1.181 115 A CA 1.258 53.447 52.037 0.252 0.000 0.620 115 A CB -0.334 18.834 19.000 0.280 0.000 0.819 115 A HN 0.137 nan 8.150 nan 0.000 0.442 116 E N 0.432 120.774 120.200 0.237 0.000 2.012 116 E HA -0.194 4.157 4.350 0.001 0.000 0.197 116 E C 2.467 179.223 176.600 0.259 0.000 1.007 116 E CA 1.814 58.355 56.400 0.235 0.000 0.816 116 E CB -0.299 29.467 29.700 0.110 0.000 0.762 116 E HN 0.776 nan 8.360 nan 0.000 0.451 117 S N 1.059 116.844 115.700 0.143 0.000 2.374 117 S HA -0.237 4.234 4.470 0.001 0.000 0.227 117 S C 1.947 176.565 174.600 0.031 0.000 1.037 117 S CA 1.242 59.487 58.200 0.075 0.000 1.024 117 S CB -0.741 62.487 63.200 0.046 0.000 0.861 117 S HN 0.320 nan 8.310 nan 0.000 0.456 118 F N 1.043 120.923 119.950 -0.118 0.000 2.269 118 F HA 0.032 4.560 4.527 0.001 0.000 0.301 118 F C 2.003 177.763 175.800 -0.066 0.000 1.082 118 F CA 1.007 58.876 58.000 -0.219 0.000 1.360 118 F CB -0.376 38.186 39.000 -0.729 0.000 1.041 118 F HN 0.376 nan 8.300 nan 0.000 0.512 119 W N 1.733 123.014 121.300 -0.033 0.000 2.409 119 W HA -0.091 4.569 4.660 0.001 0.000 0.299 119 W C 2.123 178.478 176.519 -0.273 0.000 1.203 119 W CA 1.955 59.162 57.345 -0.229 0.000 1.298 119 W CB -0.510 28.832 29.460 -0.197 0.000 1.127 119 W HN 0.083 nan 8.180 nan 0.000 0.528 120 E N -0.054 119.985 120.200 -0.268 0.000 2.108 120 E HA -0.300 4.051 4.350 0.001 0.000 0.203 120 E C 1.908 178.175 176.600 -0.556 0.000 1.022 120 E CA 1.952 58.077 56.400 -0.459 0.000 0.823 120 E CB -0.345 29.261 29.700 -0.156 0.000 0.744 120 E HN 0.288 nan 8.360 nan 0.000 0.456 121 E N -0.123 119.794 120.200 -0.470 0.000 2.190 121 E HA 0.017 4.367 4.350 0.001 0.000 0.191 121 E C 1.974 178.276 176.600 -0.497 0.000 0.978 121 E CA 0.804 56.943 56.400 -0.436 0.000 0.839 121 E CB -0.152 29.319 29.700 -0.381 0.000 0.787 121 E HN 0.255 nan 8.360 nan 0.000 0.473 122 A N 1.587 124.028 122.820 -0.632 0.000 2.015 122 A HA -0.167 4.154 4.320 0.001 0.000 0.219 122 A C 2.210 179.544 177.584 -0.416 0.000 1.163 122 A CA 1.531 53.263 52.037 -0.509 0.000 0.646 122 A CB -0.418 18.301 19.000 -0.469 0.000 0.806 122 A HN 0.130 nan 8.150 nan 0.000 0.448 123 R N -0.042 120.069 120.500 -0.649 0.000 2.066 123 R HA -0.077 4.263 4.340 0.001 0.000 0.232 123 R C -0.967 175.140 176.300 -0.322 0.000 1.131 123 R CA 1.728 57.511 56.100 -0.528 0.000 0.955 123 R CB -1.068 28.738 30.300 -0.824 0.000 0.851 123 R HN 0.350 nan 8.270 nan 0.000 0.432 124 P HA -0.121 nan 4.420 nan 0.000 0.218 124 P C 0.316 177.525 177.300 -0.153 0.000 1.148 124 P CA 1.416 64.386 63.100 -0.217 0.000 0.822 124 P CB -0.006 31.562 31.700 -0.221 0.000 0.784 125 R N -1.045 119.356 120.500 -0.165 0.000 2.313 125 R HA -0.015 4.325 4.340 0.001 0.000 0.199 125 R C 0.375 176.656 176.300 -0.032 0.000 0.958 125 R CA 0.519 56.560 56.100 -0.097 0.000 1.047 125 R CB -0.772 29.462 30.300 -0.110 0.000 0.955 125 R HN 0.098 nan 8.270 nan 0.000 0.481 126 D N 1.110 121.494 120.400 -0.027 0.000 2.911 126 D HA -0.192 4.448 4.640 0.001 0.000 0.227 126 D C -0.859 175.533 176.300 0.154 0.000 1.164 126 D CA 0.867 54.921 54.000 0.090 0.000 0.782 126 D CB -0.889 39.971 40.800 0.100 0.000 1.094 126 D HN 0.191 nan 8.370 nan 0.000 0.425 127 D N -0.153 120.292 120.400 0.074 0.000 2.522 127 D HA 0.077 4.718 4.640 0.001 0.000 0.218 127 D C 1.080 177.485 176.300 0.175 0.000 1.149 127 D CA -0.442 53.626 54.000 0.113 0.000 0.981 127 D CB -0.384 40.467 40.800 0.086 0.000 1.041 127 D HN 0.428 nan 8.370 nan 0.000 0.518 128 W N 4.509 125.692 121.300 -0.195 0.000 2.380 128 W HA -0.145 4.516 4.660 0.001 0.000 0.317 128 W C 1.749 178.253 176.519 -0.025 0.000 1.196 128 W CA 0.452 57.638 57.345 -0.265 0.000 1.307 128 W CB -0.116 28.671 29.460 -1.123 0.000 1.157 128 W HN 0.325 nan 8.180 nan 0.000 0.483 129 R N 0.491 120.975 120.500 -0.027 0.000 2.159 129 R HA -0.213 4.127 4.340 0.001 0.000 0.252 129 R C 2.297 178.543 176.300 -0.090 0.000 1.144 129 R CA 2.511 58.559 56.100 -0.088 0.000 0.961 129 R CB -1.214 29.108 30.300 0.037 0.000 0.877 129 R HN 0.340 nan 8.270 nan 0.000 0.444 130 G N -0.873 107.982 108.800 0.092 0.000 2.484 130 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 130 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 130 G C 1.130 176.092 174.900 0.103 0.000 1.130 130 G CA 0.135 45.339 45.100 0.174 0.000 0.784 130 G HN 0.376 nan 8.290 nan 0.000 0.543 131 F N 0.790 120.793 119.950 0.089 0.000 2.219 131 F HA 0.199 4.726 4.527 0.001 0.000 0.294 131 F C 2.208 177.879 175.800 -0.216 0.000 1.086 131 F CA 0.240 58.298 58.000 0.097 0.000 1.330 131 F CB -0.394 38.725 39.000 0.198 0.000 1.047 131 F HN 0.063 nan 8.300 nan 0.000 0.495 132 L N 1.774 122.547 121.223 -0.749 0.000 2.054 132 L HA -0.196 4.144 4.340 0.001 0.000 0.220 132 L C -0.946 175.563 176.870 -0.602 0.000 1.081 132 L CA 2.468 56.748 54.840 -0.932 0.000 0.780 132 L CB -1.959 39.534 42.059 -0.942 0.000 0.893 132 L HN 0.028 nan 8.230 nan 0.000 0.438 133 P HA -0.172 nan 4.420 nan 0.000 0.215 133 P C 1.157 178.143 177.300 -0.524 0.000 1.153 133 P CA 1.617 64.430 63.100 -0.477 0.000 0.853 133 P CB -0.150 31.232 31.700 -0.530 0.000 0.788 134 Y N -1.116 118.886 120.300 -0.497 0.000 2.163 134 Y HA -0.132 4.419 4.550 0.001 0.000 0.288 134 Y C 2.297 177.959 175.900 -0.396 0.000 1.136 134 Y CA 0.858 58.714 58.100 -0.406 0.000 1.147 134 Y CB -1.323 36.912 38.460 -0.375 0.000 0.987 134 Y HN -0.143 nan 8.280 nan 0.000 0.509 135 L N 0.718 121.627 121.223 -0.523 0.000 1.989 135 L HA -0.213 4.128 4.340 0.001 0.000 0.211 135 L C 2.272 179.057 176.870 -0.142 0.000 1.071 135 L CA 1.934 56.547 54.840 -0.378 0.000 0.749 135 L CB -0.780 40.923 42.059 -0.593 0.000 0.890 135 L HN 0.073 nan 8.230 nan 0.000 0.431 136 K N -0.790 119.482 120.400 -0.213 0.000 2.089 136 K HA -0.281 4.040 4.320 0.001 0.000 0.210 136 K C 2.454 179.022 176.600 -0.054 0.000 1.048 136 K CA 2.012 58.233 56.287 -0.111 0.000 0.926 136 K CB -0.226 32.173 32.500 -0.169 0.000 0.714 136 K HN 0.328 nan 8.250 nan 0.000 0.448 137 R N 0.285 120.720 120.500 -0.109 0.000 2.066 137 R HA -0.109 4.231 4.340 0.001 0.000 0.232 137 R C 2.073 178.356 176.300 -0.028 0.000 1.131 137 R CA 1.449 57.498 56.100 -0.085 0.000 0.955 137 R CB -0.167 30.062 30.300 -0.118 0.000 0.851 137 R HN 0.046 nan 8.270 nan 0.000 0.432 138 V N 0.693 120.622 119.914 0.025 0.000 2.407 138 V HA -0.261 3.860 4.120 0.001 0.000 0.248 138 V C 2.049 178.210 176.094 0.111 0.000 1.055 138 V CA 1.829 64.189 62.300 0.100 0.000 1.049 138 V CB -0.815 31.118 31.823 0.184 0.000 0.662 138 V HN 0.403 nan 8.190 nan 0.000 0.455 139 Y N 1.653 121.920 120.300 -0.054 0.000 2.089 139 Y HA -0.241 4.309 4.550 0.001 0.000 0.282 139 Y C 2.424 178.190 175.900 -0.224 0.000 1.139 139 Y CA 1.519 59.474 58.100 -0.242 0.000 1.123 139 Y CB -0.997 37.269 38.460 -0.323 0.000 0.980 139 Y HN 0.135 nan 8.280 nan 0.000 0.493 140 A N 0.799 123.413 122.820 -0.344 0.000 1.869 140 A HA -0.257 4.064 4.320 0.001 0.000 0.218 140 A C 2.404 179.823 177.584 -0.276 0.000 1.203 140 A CA 2.469 54.286 52.037 -0.367 0.000 0.638 140 A CB -1.435 17.459 19.000 -0.176 0.000 0.831 140 A HN 0.583 nan 8.150 nan 0.000 0.450 141 L N -0.996 120.136 121.223 -0.152 0.000 2.131 141 L HA -0.159 4.181 4.340 0.001 0.000 0.210 141 L C 2.736 179.558 176.870 -0.079 0.000 1.092 141 L CA 1.668 56.453 54.840 -0.091 0.000 0.759 141 L CB -0.902 41.133 42.059 -0.040 0.000 0.903 141 L HN 0.396 nan 8.230 nan 0.000 0.435 142 T N -0.677 113.823 114.554 -0.089 0.000 2.777 142 T HA -0.202 4.149 4.350 0.001 0.000 0.266 142 T C 1.954 176.631 174.700 -0.039 0.000 1.040 142 T CA 1.267 63.359 62.100 -0.014 0.000 1.141 142 T CB -0.028 68.884 68.868 0.074 0.000 0.868 142 T HN 0.234 nan 8.240 nan 0.000 0.444 143 K N 0.979 121.250 120.400 -0.215 0.000 2.097 143 K HA -0.107 4.214 4.320 0.001 0.000 0.206 143 K C 2.315 178.861 176.600 -0.091 0.000 1.049 143 K CA 1.275 57.481 56.287 -0.136 0.000 0.933 143 K CB -0.022 32.156 32.500 -0.536 0.000 0.717 143 K HN 0.372 nan 8.250 nan 0.000 0.442 144 E N 0.791 120.920 120.200 -0.118 0.000 2.077 144 E HA -0.238 4.112 4.350 0.001 0.000 0.193 144 E C 1.948 178.530 176.600 -0.030 0.000 0.989 144 E CA 1.223 57.582 56.400 -0.069 0.000 0.800 144 E CB 0.067 29.725 29.700 -0.070 0.000 0.746 144 E HN 0.209 nan 8.360 nan 0.000 0.452 145 K N 0.116 120.500 120.400 -0.026 0.000 2.097 145 K HA -0.160 4.160 4.320 0.001 0.000 0.206 145 K C 2.041 178.639 176.600 -0.003 0.000 1.049 145 K CA 1.095 57.377 56.287 -0.009 0.000 0.933 145 K CB -0.168 32.329 32.500 -0.004 0.000 0.717 145 K HN 0.142 nan 8.250 nan 0.000 0.442 146 A N 1.618 124.427 122.820 -0.019 0.000 1.883 146 A HA -0.234 4.086 4.320 0.001 0.000 0.217 146 A C 1.828 179.439 177.584 0.044 0.000 1.186 146 A CA 1.967 53.980 52.037 -0.040 0.000 0.624 146 A CB -0.558 18.382 19.000 -0.099 0.000 0.822 146 A HN 0.524 nan 8.150 nan 0.000 0.444 147 E N -0.428 119.797 120.200 0.042 0.000 2.110 147 E HA -0.104 4.246 4.350 0.001 0.000 0.193 147 E C 1.916 178.592 176.600 0.128 0.000 0.988 147 E CA 1.157 57.615 56.400 0.097 0.000 0.804 147 E CB -0.314 29.411 29.700 0.043 0.000 0.745 147 E HN 0.406 nan 8.360 nan 0.000 0.458 148 V N 1.511 121.469 119.914 0.073 0.000 2.407 148 V HA -0.234 3.887 4.120 0.001 0.000 0.248 148 V C 2.208 178.353 176.094 0.085 0.000 1.055 148 V CA 1.448 63.785 62.300 0.062 0.000 1.049 148 V CB -0.361 31.480 31.823 0.029 0.000 0.662 148 V HN 0.267 nan 8.190 nan 0.000 0.455 149 L N -1.692 119.595 121.223 0.105 0.000 2.131 149 L HA -0.079 4.262 4.340 0.001 0.000 0.206 149 L C 2.338 179.362 176.870 0.256 0.000 1.087 149 L CA 1.300 56.223 54.840 0.138 0.000 0.767 149 L CB -0.547 41.570 42.059 0.098 0.000 0.917 149 L HN 0.317 nan 8.230 nan 0.000 0.441 150 F N 1.311 121.341 119.950 0.132 0.000 2.171 150 F HA -0.170 4.357 4.527 0.001 0.000 0.300 150 F C 2.396 178.278 175.800 0.136 0.000 1.090 150 F CA 1.110 59.243 58.000 0.223 0.000 1.293 150 F CB -0.142 38.937 39.000 0.132 0.000 1.013 150 F HN -0.010 nan 8.300 nan 0.000 0.486 151 A N 0.240 123.145 122.820 0.142 0.000 2.172 151 A HA 0.067 4.387 4.320 0.001 0.000 0.216 151 A C 1.033 178.582 177.584 -0.058 0.000 1.154 151 A CA 0.328 52.378 52.037 0.022 0.000 0.701 151 A CB -0.945 18.097 19.000 0.071 0.000 0.789 151 A HN 0.284 nan 8.150 nan 0.000 0.465 152 L N 1.452 122.644 121.223 -0.051 0.000 2.350 152 L HA 0.285 4.625 4.340 0.001 0.000 0.275 152 L C -2.019 174.736 176.870 -0.192 0.000 1.099 152 L CA -2.137 52.655 54.840 -0.079 0.000 0.808 152 L CB 0.871 42.915 42.059 -0.026 0.000 1.149 152 L HN 0.102 nan 8.230 nan 0.000 0.442 153 P HA 0.129 nan 4.420 nan 0.000 0.271 153 P C -2.448 174.672 177.300 -0.299 0.000 1.216 153 P CA -0.990 61.967 63.100 -0.240 0.000 0.771 153 P CB -0.063 31.548 31.700 -0.148 0.000 0.864 154 P HA 0.032 nan 4.420 nan 0.000 0.270 154 P C -0.194 176.982 177.300 -0.207 0.000 1.227 154 P CA -0.143 62.665 63.100 -0.487 0.000 0.788 154 P CB 0.411 31.750 31.700 -0.603 0.000 0.926 155 A N 2.953 125.705 122.820 -0.112 0.000 2.540 155 A HA 0.259 4.579 4.320 0.001 0.000 0.239 155 A C -1.938 175.617 177.584 -0.049 0.000 1.061 155 A CA -0.906 51.104 52.037 -0.046 0.000 0.758 155 A CB -1.545 17.454 19.000 -0.002 0.000 0.991 155 A HN 0.397 nan 8.150 nan 0.000 0.502 156 P HA 0.272 nan 4.420 nan 0.000 0.262 156 P C 1.045 178.332 177.300 -0.022 0.000 1.199 156 P CA 1.743 64.824 63.100 -0.033 0.000 0.763 156 P CB 0.581 32.267 31.700 -0.024 0.000 0.790 157 G N 2.392 111.181 108.800 -0.019 0.000 2.278 157 G HA2 -0.152 3.809 3.960 0.001 0.000 0.210 157 G HA3 -0.152 3.809 3.960 0.001 0.000 0.210 157 G C -0.110 174.795 174.900 0.008 0.000 1.000 157 G CA -0.426 44.672 45.100 -0.004 0.000 0.635 157 G HN 0.494 nan 8.290 nan 0.000 0.495 158 D N 2.356 122.759 120.400 0.007 0.000 2.294 158 D HA 0.535 5.176 4.640 0.001 0.000 0.250 158 D C -2.006 174.309 176.300 0.025 0.000 1.058 158 D CA -1.091 52.927 54.000 0.030 0.000 0.950 158 D CB 1.024 41.855 40.800 0.051 0.000 1.158 158 D HN 0.198 nan 8.370 nan 0.000 0.453 159 P HA 0.155 nan 4.420 nan 0.000 0.271 159 P C -2.459 174.876 177.300 0.059 0.000 1.216 159 P CA -0.934 62.198 63.100 0.053 0.000 0.776 159 P CB -0.210 31.534 31.700 0.074 0.000 0.881 160 P HA 0.017 nan 4.420 nan 0.000 0.270 160 P C -0.214 177.173 177.300 0.145 0.000 1.223 160 P CA 0.084 63.169 63.100 -0.025 0.000 0.785 160 P CB 0.440 32.110 31.700 -0.050 0.000 0.923 161 Y N -0.444 119.851 120.300 -0.007 0.000 2.526 161 Y HA 0.075 4.626 4.550 0.001 0.000 0.330 161 Y C 2.114 178.121 175.900 0.179 0.000 1.156 161 Y CA -0.562 57.599 58.100 0.101 0.000 1.419 161 Y CB 0.303 38.826 38.460 0.105 0.000 1.250 161 Y HN 0.488 nan 8.280 nan 0.000 0.540 162 G N 2.420 111.437 108.800 0.362 0.000 2.492 162 G HA2 0.017 3.977 3.960 0.001 0.000 0.214 162 G HA3 0.017 3.977 3.960 0.001 0.000 0.214 162 G C 0.071 175.152 174.900 0.302 0.000 1.147 162 G CA 0.313 45.572 45.100 0.265 0.000 0.809 162 G HN 0.747 nan 8.290 nan 0.000 0.533 163 E N -1.838 118.556 120.200 0.322 0.000 2.449 163 E HA 0.302 4.653 4.350 0.001 0.000 0.278 163 E C 0.482 176.982 176.600 -0.166 0.000 1.059 163 E CA -0.882 55.570 56.400 0.086 0.000 0.854 163 E CB 0.287 30.010 29.700 0.039 0.000 1.465 163 E HN -0.148 nan 8.360 nan 0.000 0.462 164 L N 0.620 121.538 121.223 -0.507 0.000 1.997 164 L HA -0.194 4.146 4.340 0.001 0.000 0.216 164 L C 2.260 178.993 176.870 -0.227 0.000 1.074 164 L CA 2.369 56.885 54.840 -0.540 0.000 0.763 164 L CB -1.225 40.657 42.059 -0.295 0.000 0.890 164 L HN 0.775 nan 8.230 nan 0.000 0.434 165 Y N 0.799 120.945 120.300 -0.256 0.000 2.102 165 Y HA -0.357 4.193 4.550 0.001 0.000 0.280 165 Y C 2.390 178.140 175.900 -0.250 0.000 1.178 165 Y CA 2.251 60.170 58.100 -0.301 0.000 1.146 165 Y CB -0.555 37.826 38.460 -0.133 0.000 0.968 165 Y HN 0.397 nan 8.280 nan 0.000 0.504 166 D N -0.169 120.179 120.400 -0.087 0.000 2.203 166 D HA -0.256 4.384 4.640 0.001 0.000 0.199 166 D C 2.211 178.128 176.300 -0.638 0.000 0.997 166 D CA 1.426 55.272 54.000 -0.258 0.000 0.863 166 D CB -0.578 40.156 40.800 -0.109 0.000 0.928 166 D HN 0.526 nan 8.370 nan 0.000 0.458 167 A N 0.196 122.636 122.820 -0.634 0.000 1.972 167 A HA -0.098 4.222 4.320 0.001 0.000 0.219 167 A C 2.364 179.699 177.584 -0.414 0.000 1.169 167 A CA 0.807 52.468 52.037 -0.626 0.000 0.635 167 A CB -0.424 18.488 19.000 -0.147 0.000 0.810 167 A HN 0.221 nan 8.150 nan 0.000 0.446 168 L N -1.599 119.351 121.223 -0.454 0.000 2.145 168 L HA 0.005 4.346 4.340 0.001 0.000 0.201 168 L C 2.431 179.080 176.870 -0.367 0.000 1.075 168 L CA 0.645 55.243 54.840 -0.402 0.000 0.773 168 L CB -0.448 41.329 42.059 -0.470 0.000 0.936 168 L HN 0.422 nan 8.230 nan 0.000 0.451 169 L N 0.595 121.544 121.223 -0.457 0.000 2.079 169 L HA -0.256 4.085 4.340 0.001 0.000 0.210 169 L C 1.899 178.693 176.870 -0.125 0.000 1.081 169 L CA 1.946 56.648 54.840 -0.231 0.000 0.752 169 L CB -0.542 41.392 42.059 -0.209 0.000 0.896 169 L HN 0.221 nan 8.230 nan 0.000 0.433 170 D N -1.061 119.219 120.400 -0.200 0.000 2.218 170 D HA -0.139 4.501 4.640 0.001 0.000 0.204 170 D C 2.176 178.417 176.300 -0.098 0.000 0.976 170 D CA 1.221 55.160 54.000 -0.101 0.000 0.853 170 D CB -0.266 40.476 40.800 -0.096 0.000 0.939 170 D HN 0.452 nan 8.370 nan 0.000 0.481 171 G N -1.288 107.377 108.800 -0.226 0.000 2.422 171 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 171 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 171 G C 0.975 175.671 174.900 -0.341 0.000 1.140 171 G CA 0.757 45.657 45.100 -0.332 0.000 0.775 171 G HN 0.318 nan 8.290 nan 0.000 0.545 172 Y N -0.596 119.688 120.300 -0.027 0.000 2.479 172 Y HA 0.365 4.915 4.550 0.001 0.000 0.283 172 Y C 0.917 176.804 175.900 -0.022 0.000 1.109 172 Y CA 0.091 58.162 58.100 -0.048 0.000 1.239 172 Y CB 0.617 38.998 38.460 -0.132 0.000 1.108 172 Y HN 0.093 nan 8.280 nan 0.000 0.548 173 E N 0.567 120.848 120.200 0.135 0.000 2.795 173 E HA 0.338 4.688 4.350 0.001 0.000 0.226 173 E C -2.896 173.767 176.600 0.105 0.000 1.088 173 E CA -3.037 53.444 56.400 0.135 0.000 0.812 173 E CB 0.567 30.355 29.700 0.145 0.000 1.328 173 E HN -0.120 nan 8.360 nan 0.000 0.410 174 P HA 0.019 nan 4.420 nan 0.000 0.257 174 P C 0.791 178.152 177.300 0.100 0.000 1.162 174 P CA 1.554 64.704 63.100 0.084 0.000 0.762 174 P CB 0.666 32.410 31.700 0.074 0.000 0.753 175 G N 1.993 110.857 108.800 0.107 0.000 2.234 175 G HA2 -0.310 3.650 3.960 0.001 0.000 0.260 175 G HA3 -0.310 3.650 3.960 0.001 0.000 0.260 175 G C 0.165 175.133 174.900 0.113 0.000 0.987 175 G CA 0.127 45.295 45.100 0.113 0.000 0.625 175 G HN 0.557 nan 8.290 nan 0.000 0.532 176 M N 1.824 121.489 119.600 0.108 0.000 2.217 176 M HA 0.671 5.151 4.480 0.001 0.000 0.354 176 M C 0.390 176.741 176.300 0.085 0.000 1.225 176 M CA -0.585 54.777 55.300 0.103 0.000 1.137 176 M CB 0.430 33.100 32.600 0.118 0.000 1.576 176 M HN 0.202 nan 8.290 nan 0.000 0.461 177 R N 3.215 123.766 120.500 0.084 0.000 2.854 177 R HA 0.644 4.984 4.340 0.001 0.000 0.271 177 R C 0.511 176.854 176.300 0.071 0.000 0.994 177 R CA -0.115 56.039 56.100 0.090 0.000 0.945 177 R CB 0.635 31.003 30.300 0.112 0.000 1.194 177 R HN 0.853 nan 8.270 nan 0.000 0.476 178 A N 1.906 124.785 122.820 0.098 0.000 1.908 178 A HA -0.232 4.089 4.320 0.001 0.000 0.218 178 A C 1.859 179.444 177.584 0.002 0.000 1.181 178 A CA 1.928 53.996 52.037 0.052 0.000 0.627 178 A CB -0.444 18.600 19.000 0.073 0.000 0.818 178 A HN 0.749 nan 8.150 nan 0.000 0.445 179 R N -0.165 120.355 120.500 0.035 0.000 2.249 179 R HA -0.127 4.214 4.340 0.001 0.000 0.230 179 R C 1.402 177.708 176.300 0.011 0.000 1.121 179 R CA 1.679 57.795 56.100 0.026 0.000 0.997 179 R CB -0.444 29.884 30.300 0.048 0.000 0.867 179 R HN 0.654 nan 8.270 nan 0.000 0.465 180 E N 1.105 121.309 120.200 0.007 0.000 2.102 180 E HA 0.031 4.382 4.350 0.001 0.000 0.190 180 E C 2.125 178.691 176.600 -0.056 0.000 0.971 180 E CA 0.512 56.914 56.400 0.004 0.000 0.821 180 E CB 0.023 29.742 29.700 0.032 0.000 0.777 180 E HN 0.272 nan 8.360 nan 0.000 0.460 181 L N 1.024 122.156 121.223 -0.152 0.000 2.083 181 L HA -0.175 4.165 4.340 0.001 0.000 0.209 181 L C 2.560 179.206 176.870 -0.375 0.000 1.083 181 L CA 0.385 54.962 54.840 -0.437 0.000 0.752 181 L CB -0.440 41.244 42.059 -0.625 0.000 0.899 181 L HN 0.205 nan 8.230 nan 0.000 0.433 182 L N 1.169 122.286 121.223 -0.178 0.000 1.951 182 L HA -0.166 4.174 4.340 0.001 0.000 0.222 182 L C -0.433 176.441 176.870 0.007 0.000 1.078 182 L CA 2.436 57.236 54.840 -0.066 0.000 0.778 182 L CB -1.899 40.145 42.059 -0.026 0.000 0.893 182 L HN 0.062 nan 8.230 nan 0.000 0.436 183 P HA -0.167 nan 4.420 nan 0.000 0.215 183 P C 2.296 179.651 177.300 0.092 0.000 1.153 183 P CA 1.493 64.624 63.100 0.051 0.000 0.853 183 P CB -0.086 31.640 31.700 0.042 0.000 0.788 184 L N -1.931 119.351 121.223 0.098 0.000 1.956 184 L HA -0.218 4.122 4.340 0.001 0.000 0.216 184 L C 2.403 179.484 176.870 0.352 0.000 1.073 184 L CA 1.786 56.744 54.840 0.197 0.000 0.762 184 L CB -0.760 41.416 42.059 0.195 0.000 0.889 184 L HN -0.068 nan 8.230 nan 0.000 0.433 185 F N -0.270 119.701 119.950 0.036 0.000 2.234 185 F HA -0.116 4.411 4.527 0.001 0.000 0.299 185 F C 2.556 178.369 175.800 0.021 0.000 1.087 185 F CA 0.635 58.653 58.000 0.030 0.000 1.340 185 F CB -1.507 37.514 39.000 0.034 0.000 1.031 185 F HN 0.085 nan 8.300 nan 0.000 0.500 186 A N -0.178 122.768 122.820 0.209 0.000 1.902 186 A HA -0.243 4.077 4.320 0.001 0.000 0.217 186 A C 2.262 179.890 177.584 0.072 0.000 1.181 186 A CA 1.869 53.968 52.037 0.103 0.000 0.623 186 A CB -0.889 18.154 19.000 0.071 0.000 0.818 186 A HN 0.397 nan 8.150 nan 0.000 0.443 187 E N -0.767 119.488 120.200 0.092 0.000 2.051 187 E HA -0.186 4.164 4.350 0.001 0.000 0.192 187 E C 1.921 178.563 176.600 0.070 0.000 0.991 187 E CA 1.216 57.660 56.400 0.074 0.000 0.799 187 E CB -0.195 29.559 29.700 0.089 0.000 0.748 187 E HN 0.440 nan 8.360 nan 0.000 0.449 188 L N 1.766 123.046 121.223 0.094 0.000 1.989 188 L HA -0.220 4.120 4.340 0.001 0.000 0.211 188 L C 2.325 179.207 176.870 0.021 0.000 1.071 188 L CA 2.081 56.969 54.840 0.079 0.000 0.749 188 L CB -0.559 41.522 42.059 0.036 0.000 0.890 188 L HN 0.015 nan 8.230 nan 0.000 0.431 189 K N -0.502 119.892 120.400 -0.011 0.000 2.001 189 K HA -0.300 4.020 4.320 0.001 0.000 0.214 189 K C 2.188 178.736 176.600 -0.087 0.000 1.050 189 K CA 2.176 58.415 56.287 -0.080 0.000 0.934 189 K CB -0.389 32.040 32.500 -0.118 0.000 0.718 189 K HN 0.542 nan 8.250 nan 0.000 0.443 190 E N -0.701 119.463 120.200 -0.059 0.000 2.070 190 E HA -0.190 4.161 4.350 0.001 0.000 0.197 190 E C 1.921 178.491 176.600 -0.049 0.000 1.004 190 E CA 1.556 57.922 56.400 -0.057 0.000 0.805 190 E CB -0.315 29.366 29.700 -0.031 0.000 0.744 190 E HN 0.548 nan 8.360 nan 0.000 0.451 191 G N 0.965 109.750 108.800 -0.025 0.000 2.422 191 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 191 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 191 G C 1.600 176.469 174.900 -0.052 0.000 1.146 191 G CA 0.616 45.701 45.100 -0.025 0.000 0.769 191 G HN 0.194 nan 8.290 nan 0.000 0.547 192 L N -0.135 121.055 121.223 -0.054 0.000 2.072 192 L HA -0.000 4.340 4.340 0.001 0.000 0.205 192 L C 2.927 179.731 176.870 -0.111 0.000 1.079 192 L CA 1.098 55.889 54.840 -0.083 0.000 0.752 192 L CB -0.325 41.697 42.059 -0.062 0.000 0.906 192 L HN 0.154 nan 8.230 nan 0.000 0.436 193 K N 0.159 120.492 120.400 -0.112 0.000 2.147 193 K HA -0.119 4.202 4.320 0.001 0.000 0.205 193 K C 2.102 178.639 176.600 -0.105 0.000 1.049 193 K CA 1.308 57.522 56.287 -0.120 0.000 0.936 193 K CB -0.392 32.029 32.500 -0.131 0.000 0.722 193 K HN 0.406 nan 8.250 nan 0.000 0.446 194 G N 1.373 110.120 108.800 -0.089 0.000 2.403 194 G HA2 -0.202 3.758 3.960 0.001 0.000 0.216 194 G HA3 -0.202 3.758 3.960 0.001 0.000 0.216 194 G C 1.431 176.278 174.900 -0.087 0.000 1.154 194 G CA 0.223 45.276 45.100 -0.077 0.000 0.784 194 G HN 0.137 nan 8.290 nan 0.000 0.538 195 L N 0.204 121.365 121.223 -0.102 0.000 2.072 195 L HA 0.188 4.529 4.340 0.001 0.000 0.205 195 L C 2.400 179.174 176.870 -0.160 0.000 1.079 195 L CA 1.034 55.801 54.840 -0.122 0.000 0.752 195 L CB -0.405 41.568 42.059 -0.143 0.000 0.906 195 L HN 0.077 nan 8.230 nan 0.000 0.436 196 L N -0.087 121.034 121.223 -0.170 0.000 2.012 196 L HA -0.269 4.072 4.340 0.001 0.000 0.210 196 L C 2.246 179.017 176.870 -0.165 0.000 1.073 196 L CA 2.368 57.094 54.840 -0.190 0.000 0.748 196 L CB -1.236 40.724 42.059 -0.164 0.000 0.891 196 L HN 0.471 nan 8.230 nan 0.000 0.431 197 D N -0.647 119.676 120.400 -0.127 0.000 2.116 197 D HA -0.232 4.408 4.640 0.001 0.000 0.193 197 D C 2.261 178.503 176.300 -0.097 0.000 0.998 197 D CA 1.473 55.412 54.000 -0.102 0.000 0.836 197 D CB 0.123 40.873 40.800 -0.083 0.000 0.951 197 D HN 0.236 nan 8.370 nan 0.000 0.449 198 R N -0.291 120.151 120.500 -0.097 0.000 2.115 198 R HA 0.012 4.353 4.340 0.001 0.000 0.230 198 R C 2.503 178.741 176.300 -0.103 0.000 1.111 198 R CA 0.833 56.886 56.100 -0.078 0.000 0.976 198 R CB -0.196 30.069 30.300 -0.058 0.000 0.870 198 R HN 0.366 nan 8.270 nan 0.000 0.445 199 I N 0.754 121.212 120.570 -0.187 0.000 2.286 199 I HA -0.241 3.930 4.170 0.001 0.000 0.245 199 I C 2.306 178.259 176.117 -0.273 0.000 1.104 199 I CA 0.944 62.033 61.300 -0.352 0.000 1.397 199 I CB -0.129 37.508 38.000 -0.605 0.000 1.072 199 I HN 0.142 nan 8.210 nan 0.000 0.417 200 L N 0.496 121.602 121.223 -0.195 0.000 2.353 200 L HA -0.080 4.260 4.340 0.001 0.000 0.220 200 L C 1.741 178.572 176.870 -0.066 0.000 1.133 200 L CA 1.113 55.879 54.840 -0.123 0.000 0.798 200 L CB -0.167 41.828 42.059 -0.106 0.000 0.922 200 L HN 0.244 nan 8.230 nan 0.000 0.445 201 G N -2.461 106.305 108.800 -0.056 0.000 3.774 201 G HA2 -0.007 3.953 3.960 0.001 0.000 0.287 201 G HA3 -0.007 3.953 3.960 0.001 0.000 0.287 201 G C 1.145 176.048 174.900 0.005 0.000 1.030 201 G CA 0.446 45.532 45.100 -0.022 0.000 0.824 201 G HN 0.273 nan 8.290 nan 0.000 0.518 202 S N 0.264 115.979 115.700 0.024 0.000 2.377 202 S HA 0.248 4.719 4.470 0.001 0.000 0.223 202 S C 2.221 176.886 174.600 0.108 0.000 1.030 202 S CA 1.793 60.046 58.200 0.089 0.000 0.970 202 S CB -0.368 62.947 63.200 0.192 0.000 0.830 202 S HN 1.425 nan 8.310 nan 0.000 0.473 203 G N 0.792 109.661 108.800 0.115 0.000 2.162 203 G HA2 -0.279 3.681 3.960 0.001 0.000 0.260 203 G HA3 -0.279 3.681 3.960 0.001 0.000 0.260 203 G C 0.052 175.033 174.900 0.134 0.000 0.976 203 G CA 0.774 45.934 45.100 0.100 0.000 0.655 203 G HN 0.735 nan 8.290 nan 0.000 0.533 204 K N 0.244 120.775 120.400 0.218 0.000 2.156 204 K HA 0.707 5.027 4.320 0.001 0.000 0.254 204 K C 1.536 178.318 176.600 0.302 0.000 0.950 204 K CA -0.850 55.575 56.287 0.230 0.000 0.849 204 K CB 0.789 33.403 32.500 0.191 0.000 1.100 204 K HN 0.217 nan 8.250 nan 0.000 0.434 205 R N 1.141 121.786 120.500 0.242 0.000 2.892 205 R HA -0.208 4.133 4.340 0.001 0.000 0.718 205 R C -1.785 174.458 176.300 -0.096 0.000 0.326 205 R CA 1.470 57.612 56.100 0.069 0.000 2.223 205 R CB -0.945 29.395 30.300 0.067 0.000 0.577 205 R HN 0.615 nan 8.270 nan 0.000 0.704 206 P HA 0.104 nan 4.420 nan 0.000 0.285 206 P C -1.369 175.661 177.300 -0.450 0.000 1.269 206 P CA -0.254 62.171 63.100 -1.126 0.000 0.844 206 P CB 0.852 31.484 31.700 -1.780 0.000 1.094 207 D N 0.877 121.081 120.400 -0.326 0.000 2.563 207 D HA 0.063 4.704 4.640 0.001 0.000 0.222 207 D C 1.290 177.538 176.300 -0.086 0.000 1.145 207 D CA -0.050 53.872 54.000 -0.131 0.000 1.001 207 D CB -0.248 40.522 40.800 -0.050 0.000 1.049 207 D HN 0.238 nan 8.370 nan 0.000 0.515 208 T N -1.540 112.976 114.554 -0.062 0.000 3.007 208 T HA -0.179 4.172 4.350 0.001 0.000 0.270 208 T C 1.941 176.765 174.700 0.207 0.000 1.107 208 T CA 1.053 63.182 62.100 0.047 0.000 1.118 208 T CB -0.220 68.702 68.868 0.091 0.000 0.889 208 T HN 0.215 nan 8.240 nan 0.000 0.506 209 S N 1.749 117.541 115.700 0.154 0.000 2.440 209 S HA -0.062 4.409 4.470 0.001 0.000 0.238 209 S C 1.970 176.705 174.600 0.224 0.000 1.010 209 S CA 0.725 59.047 58.200 0.203 0.000 0.972 209 S CB -1.018 62.237 63.200 0.092 0.000 0.774 209 S HN 0.627 nan 8.310 nan 0.000 0.501 210 I N 1.311 121.977 120.570 0.159 0.000 2.286 210 I HA -0.161 4.010 4.170 0.001 0.000 0.248 210 I C 2.198 178.467 176.117 0.253 0.000 1.115 210 I CA 1.276 62.679 61.300 0.172 0.000 1.392 210 I CB -0.439 37.645 38.000 0.142 0.000 1.065 210 I HN 0.321 nan 8.210 nan 0.000 0.418 211 L N -0.250 121.079 121.223 0.178 0.000 2.362 211 L HA -0.159 4.181 4.340 0.001 0.000 0.219 211 L C 1.824 178.797 176.870 0.171 0.000 1.134 211 L CA 0.847 55.739 54.840 0.087 0.000 0.807 211 L CB -0.672 41.353 42.059 -0.056 0.000 0.927 211 L HN 0.391 nan 8.230 nan 0.000 0.447 212 H N -0.380 118.915 119.070 0.376 0.000 2.517 212 H HA 0.237 4.793 4.556 0.001 0.000 0.282 212 H C 0.703 176.196 175.328 0.275 0.000 1.023 212 H CA -0.182 56.073 56.048 0.345 0.000 1.169 212 H CB 0.357 30.234 29.762 0.192 0.000 1.454 212 H HN 0.337 nan 8.280 nan 0.000 0.556 213 R N 1.421 122.128 120.500 0.345 0.000 2.668 213 R HA 0.172 4.513 4.340 0.001 0.000 0.268 213 R C -2.178 174.154 176.300 0.052 0.000 1.232 213 R CA -1.415 54.755 56.100 0.116 0.000 1.166 213 R CB -0.401 29.876 30.300 -0.038 0.000 1.179 213 R HN 0.098 nan 8.270 nan 0.000 0.606 214 P HA 0.120 nan 4.420 nan 0.000 0.282 214 P C -1.450 175.632 177.300 -0.362 0.000 1.249 214 P CA -0.034 63.021 63.100 -0.075 0.000 0.806 214 P CB 0.566 32.251 31.700 -0.026 0.000 0.984 215 Y N 2.221 122.559 120.300 0.064 0.000 2.541 215 Y HA 0.236 4.787 4.550 0.001 0.000 0.350 215 Y C -1.995 173.971 175.900 0.109 0.000 1.075 215 Y CA -2.445 55.665 58.100 0.017 0.000 1.302 215 Y CB 1.243 39.595 38.460 -0.180 0.000 1.094 215 Y HN 0.252 nan 8.280 nan 0.000 0.579 216 P HA -0.100 nan 4.420 nan 0.000 0.255 216 P C 1.252 178.652 177.300 0.167 0.000 1.161 216 P CA 0.601 63.807 63.100 0.176 0.000 0.768 216 P CB 1.319 33.100 31.700 0.134 0.000 0.746 217 V N 3.390 123.353 119.914 0.082 0.000 2.311 217 V HA -0.281 3.839 4.120 0.001 0.000 0.256 217 V C 2.505 178.483 176.094 -0.194 0.000 1.077 217 V CA 2.596 64.865 62.300 -0.051 0.000 1.067 217 V CB -0.970 30.835 31.823 -0.029 0.000 0.659 217 V HN 0.541 nan 8.190 nan 0.000 0.451 218 E N -0.054 120.094 120.200 -0.086 0.000 2.204 218 E HA -0.096 4.255 4.350 0.001 0.000 0.194 218 E C 2.041 178.611 176.600 -0.051 0.000 0.989 218 E CA 1.322 57.665 56.400 -0.096 0.000 0.824 218 E CB -0.360 29.317 29.700 -0.038 0.000 0.756 218 E HN 0.578 nan 8.360 nan 0.000 0.477 219 A N 0.289 123.136 122.820 0.045 0.000 1.897 219 A HA -0.166 4.155 4.320 0.001 0.000 0.215 219 A C 2.113 179.826 177.584 0.215 0.000 1.181 219 A CA 1.382 53.468 52.037 0.083 0.000 0.620 219 A CB -0.467 18.619 19.000 0.143 0.000 0.821 219 A HN 0.301 nan 8.150 nan 0.000 0.443 220 Q N -0.766 119.215 119.800 0.302 0.000 2.096 220 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 220 Q C 2.369 178.400 176.000 0.051 0.000 0.982 220 Q CA 1.769 57.745 55.803 0.288 0.000 0.850 220 Q CB -0.254 28.517 28.738 0.055 0.000 0.901 220 Q HN 0.712 nan 8.270 nan 0.000 0.422 221 R N 0.999 121.308 120.500 -0.318 0.000 2.080 221 R HA -0.148 4.192 4.340 0.001 0.000 0.236 221 R C 2.226 178.537 176.300 0.018 0.000 1.137 221 R CA 1.489 57.460 56.100 -0.214 0.000 0.943 221 R CB -0.045 30.082 30.300 -0.288 0.000 0.846 221 R HN 0.131 nan 8.270 nan 0.000 0.431 222 R N -0.639 119.875 120.500 0.024 0.000 2.091 222 R HA -0.178 4.163 4.340 0.001 0.000 0.238 222 R C 2.254 178.621 176.300 0.111 0.000 1.136 222 R CA 1.669 57.801 56.100 0.054 0.000 0.959 222 R CB -0.505 29.814 30.300 0.032 0.000 0.856 222 R HN 0.271 nan 8.270 nan 0.000 0.437 223 F N 1.305 121.259 119.950 0.006 0.000 2.186 223 F HA -0.047 4.481 4.527 0.001 0.000 0.299 223 F C 2.246 178.063 175.800 0.028 0.000 1.090 223 F CA 0.961 58.983 58.000 0.036 0.000 1.307 223 F CB -0.370 38.722 39.000 0.154 0.000 1.019 223 F HN -0.041 nan 8.300 nan 0.000 0.489 224 A N 0.361 123.174 122.820 -0.012 0.000 1.930 224 A HA -0.111 4.209 4.320 0.001 0.000 0.217 224 A C 2.305 179.809 177.584 -0.135 0.000 1.175 224 A CA 1.530 53.496 52.037 -0.117 0.000 0.627 224 A CB -1.140 17.899 19.000 0.066 0.000 0.815 224 A HN 0.452 nan 8.150 nan 0.000 0.443 225 L N -0.566 120.630 121.223 -0.045 0.000 2.127 225 L HA -0.224 4.116 4.340 0.001 0.000 0.211 225 L C 2.586 179.411 176.870 -0.075 0.000 1.089 225 L CA 1.564 56.389 54.840 -0.025 0.000 0.757 225 L CB -0.474 41.594 42.059 0.016 0.000 0.899 225 L HN 0.498 nan 8.230 nan 0.000 0.434 226 E N -0.107 120.010 120.200 -0.139 0.000 2.072 226 E HA -0.189 4.162 4.350 0.001 0.000 0.191 226 E C 2.339 178.770 176.600 -0.281 0.000 0.985 226 E CA 0.962 57.266 56.400 -0.160 0.000 0.801 226 E CB -0.058 29.550 29.700 -0.155 0.000 0.750 226 E HN 0.475 nan 8.360 nan 0.000 0.452 227 L N 0.704 121.632 121.223 -0.491 0.000 2.017 227 L HA -0.200 4.141 4.340 0.001 0.000 0.208 227 L C 2.569 179.260 176.870 -0.298 0.000 1.073 227 L CA 0.998 55.497 54.840 -0.569 0.000 0.745 227 L CB -0.577 41.124 42.059 -0.596 0.000 0.894 227 L HN 0.180 nan 8.230 nan 0.000 0.432 228 L N -0.736 120.368 121.223 -0.199 0.000 2.079 228 L HA -0.242 4.098 4.340 0.001 0.000 0.210 228 L C 2.887 179.743 176.870 -0.023 0.000 1.081 228 L CA 1.387 56.168 54.840 -0.098 0.000 0.752 228 L CB -0.570 41.496 42.059 0.012 0.000 0.896 228 L HN 0.273 nan 8.230 nan 0.000 0.433 229 S N -0.303 115.384 115.700 -0.023 0.000 2.345 229 S HA -0.153 4.317 4.470 0.001 0.000 0.220 229 S C 2.136 176.761 174.600 0.041 0.000 1.031 229 S CA 1.222 59.429 58.200 0.011 0.000 0.996 229 S CB -0.118 63.088 63.200 0.010 0.000 0.882 229 S HN 0.426 nan 8.310 nan 0.000 0.445 230 A N -0.028 122.826 122.820 0.057 0.000 1.972 230 A HA -0.081 4.239 4.320 0.001 0.000 0.219 230 A C 2.375 180.092 177.584 0.222 0.000 1.169 230 A CA 1.563 53.728 52.037 0.213 0.000 0.635 230 A CB -1.201 18.033 19.000 0.391 0.000 0.810 230 A HN 0.711 nan 8.150 nan 0.000 0.446 231 C N -2.000 117.276 119.300 -0.041 0.000 2.481 231 C HA 0.391 4.852 4.460 0.001 0.000 0.275 231 C C 2.156 177.070 174.990 -0.127 0.000 1.419 231 C CA 0.654 59.549 59.018 -0.206 0.000 1.773 231 C CB -0.712 26.743 27.740 -0.476 0.000 1.862 231 C HN 0.987 nan 8.230 nan 0.000 0.530 232 G N -1.546 107.234 108.800 -0.033 0.000 2.255 232 G HA2 -0.215 3.745 3.960 0.001 0.000 0.196 232 G HA3 -0.215 3.745 3.960 0.001 0.000 0.196 232 G C 0.072 174.971 174.900 -0.001 0.000 0.998 232 G CA -0.058 45.040 45.100 -0.002 0.000 0.656 232 G HN 0.370 nan 8.290 nan 0.000 0.490 233 Y N 2.909 123.102 120.300 -0.178 0.000 2.717 233 Y HA 0.434 4.984 4.550 0.001 0.000 0.330 233 Y C 0.150 175.999 175.900 -0.085 0.000 1.217 233 Y CA -0.293 57.719 58.100 -0.146 0.000 1.506 233 Y CB 0.805 39.166 38.460 -0.165 0.000 1.268 233 Y HN 0.116 nan 8.280 nan 0.000 0.561 234 D N 6.346 126.459 120.400 -0.478 0.000 2.422 234 D HA 0.024 4.664 4.640 0.001 0.000 0.227 234 D C 0.635 176.526 176.300 -0.682 0.000 1.190 234 D CA -0.102 53.640 54.000 -0.431 0.000 0.905 234 D CB 0.500 41.142 40.800 -0.263 0.000 1.034 234 D HN 0.753 nan 8.370 nan 0.000 0.507 235 L N 3.751 124.680 121.223 -0.490 0.000 2.362 235 L HA -0.018 4.322 4.340 0.001 0.000 0.219 235 L C 1.720 178.440 176.870 -0.249 0.000 1.134 235 L CA 1.433 56.045 54.840 -0.379 0.000 0.807 235 L CB -0.052 41.912 42.059 -0.157 0.000 0.927 235 L HN 0.429 nan 8.230 nan 0.000 0.447 236 E N -1.087 118.987 120.200 -0.210 0.000 2.482 236 E HA 0.055 4.405 4.350 0.001 0.000 0.196 236 E C 1.145 177.646 176.600 -0.165 0.000 1.047 236 E CA 0.558 56.869 56.400 -0.148 0.000 0.869 236 E CB 0.106 29.740 29.700 -0.110 0.000 0.836 236 E HN 0.523 nan 8.360 nan 0.000 0.520 237 A N 0.597 123.278 122.820 -0.231 0.000 2.606 237 A HA 0.521 4.841 4.320 0.001 0.000 0.290 237 A C 0.416 177.862 177.584 -0.229 0.000 1.174 237 A CA 0.206 52.118 52.037 -0.208 0.000 0.958 237 A CB 0.681 19.569 19.000 -0.188 0.000 1.194 237 A HN 0.214 nan 8.150 nan 0.000 0.526 238 G N 0.018 108.673 108.800 -0.242 0.000 2.500 238 G HA2 0.642 4.603 3.960 0.001 0.000 0.299 238 G HA3 0.642 4.603 3.960 0.001 0.000 0.299 238 G C -1.181 173.677 174.900 -0.070 0.000 1.242 238 G CA -0.123 44.894 45.100 -0.138 0.000 0.859 238 G HN 0.916 nan 8.290 nan 0.000 0.481 239 R N -1.906 118.643 120.500 0.083 0.000 2.829 239 R HA 0.638 4.978 4.340 0.001 0.000 0.283 239 R C -2.393 174.016 176.300 0.182 0.000 1.013 239 R CA -0.921 55.242 56.100 0.105 0.000 0.848 239 R CB 1.133 31.461 30.300 0.046 0.000 1.291 239 R HN 1.041 nan 8.270 nan 0.000 0.496 240 L N 1.099 122.419 121.223 0.162 0.000 2.385 240 L HA 0.652 4.992 4.340 0.001 0.000 0.273 240 L C -1.590 175.368 176.870 0.146 0.000 0.990 240 L CA 0.043 54.963 54.840 0.134 0.000 0.821 240 L CB 2.039 44.168 42.059 0.118 0.000 1.279 240 L HN 0.733 nan 8.230 nan 0.000 0.412 241 D N 5.270 125.744 120.400 0.123 0.000 2.661 241 D HA 0.413 5.053 4.640 0.001 0.000 0.228 241 D C -2.935 173.386 176.300 0.036 0.000 1.210 241 D CA -0.951 53.116 54.000 0.112 0.000 0.826 241 D CB 2.633 43.524 40.800 0.151 0.000 1.542 241 D HN 0.293 nan 8.370 nan 0.000 0.447 242 P HA 0.176 nan 4.420 nan 0.000 0.274 242 P C -0.395 176.881 177.300 -0.040 0.000 1.231 242 P CA 0.052 63.150 63.100 -0.003 0.000 0.790 242 P CB 1.491 33.231 31.700 0.067 0.000 0.951 243 T N -0.676 113.844 114.554 -0.057 0.000 2.769 243 T HA 0.490 4.840 4.350 0.001 0.000 0.306 243 T C 0.878 175.547 174.700 -0.052 0.000 1.400 243 T CA 0.163 62.254 62.100 -0.015 0.000 1.007 243 T CB 0.742 69.657 68.868 0.079 0.000 1.392 243 T HN 0.221 nan 8.240 nan 0.000 0.500 244 A N 0.835 123.625 122.820 -0.049 0.000 1.897 244 A HA 0.175 4.496 4.320 0.001 0.000 0.215 244 A C 0.295 177.605 177.584 -0.457 0.000 1.181 244 A CA 1.363 53.253 52.037 -0.245 0.000 0.620 244 A CB -0.638 18.235 19.000 -0.211 0.000 0.821 244 A HN 0.827 nan 8.150 nan 0.000 0.443 245 H N -1.070 118.069 119.070 0.114 0.000 2.860 245 H HA 0.439 4.996 4.556 0.001 0.000 0.312 245 H C -2.851 172.623 175.328 0.243 0.000 0.995 245 H CA -2.137 54.001 56.048 0.150 0.000 1.311 245 H CB 0.610 30.447 29.762 0.126 0.000 1.478 245 H HN 0.110 nan 8.280 nan 0.000 0.508 246 P HA -0.037 nan 4.420 nan 0.000 0.264 246 P C -0.879 176.638 177.300 0.360 0.000 1.179 246 P CA 0.456 63.674 63.100 0.197 0.000 0.763 246 P CB 0.317 32.078 31.700 0.103 0.000 0.806 247 F N -0.758 119.262 119.950 0.118 0.000 2.807 247 F HA 0.628 5.156 4.527 0.001 0.000 0.316 247 F C -1.462 174.408 175.800 0.116 0.000 1.162 247 F CA -1.131 56.943 58.000 0.122 0.000 0.910 247 F CB 1.326 40.382 39.000 0.094 0.000 1.314 247 F HN 0.159 nan 8.300 nan 0.000 0.454 248 E N 2.088 122.346 120.200 0.097 0.000 2.244 248 E HA 0.604 4.955 4.350 0.001 0.000 0.266 248 E C -2.012 174.699 176.600 0.186 0.000 0.914 248 E CA -0.670 55.734 56.400 0.006 0.000 0.794 248 E CB 2.362 32.107 29.700 0.076 0.000 1.210 248 E HN 0.749 nan 8.360 nan 0.000 0.414 249 I N 2.135 122.802 120.570 0.161 0.000 2.649 249 I HA 0.366 4.536 4.170 0.001 0.000 0.289 249 I C -1.506 174.694 176.117 0.138 0.000 1.222 249 I CA -0.444 61.004 61.300 0.246 0.000 1.046 249 I CB 1.506 39.816 38.000 0.517 0.000 1.272 249 I HN 0.590 nan 8.210 nan 0.000 0.425 250 A N 7.640 130.533 122.820 0.121 0.000 2.252 250 A HA 0.573 4.894 4.320 0.001 0.000 0.309 250 A C 0.692 178.335 177.584 0.100 0.000 1.285 250 A CA -0.378 51.718 52.037 0.098 0.000 0.900 250 A CB 0.395 19.467 19.000 0.120 0.000 1.157 250 A HN 0.710 nan 8.150 nan 0.000 0.536 251 I N 1.833 122.417 120.570 0.024 0.000 3.035 251 I HA 0.267 4.438 4.170 0.001 0.000 0.271 251 I C 1.285 177.363 176.117 -0.064 0.000 1.190 251 I CA 1.126 62.426 61.300 -0.001 0.000 1.472 251 I CB 0.162 38.109 38.000 -0.087 0.000 1.116 251 I HN 0.783 nan 8.210 nan 0.000 0.443 252 G N 0.330 109.038 108.800 -0.153 0.000 2.320 252 G HA2 0.152 4.112 3.960 0.001 0.000 0.297 252 G HA3 0.152 4.112 3.960 0.001 0.000 0.297 252 G C -3.115 171.534 174.900 -0.419 0.000 1.344 252 G CA -0.898 43.892 45.100 -0.517 0.000 0.851 252 G HN -0.326 nan 8.290 nan 0.000 0.567 253 P HA 0.355 nan 4.420 nan 0.000 0.262 253 P C 0.989 178.165 177.300 -0.206 0.000 1.199 253 P CA 2.186 65.119 63.100 -0.279 0.000 0.763 253 P CB 0.842 32.385 31.700 -0.262 0.000 0.790 254 G N 2.293 111.009 108.800 -0.140 0.000 2.175 254 G HA2 -0.191 3.769 3.960 0.001 0.000 0.244 254 G HA3 -0.191 3.769 3.960 0.001 0.000 0.244 254 G C -0.065 174.750 174.900 -0.142 0.000 0.982 254 G CA 0.046 45.068 45.100 -0.130 0.000 0.641 254 G HN 0.629 nan 8.290 nan 0.000 0.527 255 D N 0.191 120.504 120.400 -0.146 0.000 2.381 255 D HA 0.486 5.127 4.640 0.001 0.000 0.245 255 D C -0.674 175.557 176.300 -0.114 0.000 1.297 255 D CA -0.246 53.662 54.000 -0.153 0.000 0.931 255 D CB 1.061 41.752 40.800 -0.182 0.000 1.334 255 D HN 0.284 nan 8.370 nan 0.000 0.535 256 V N 4.375 124.250 119.914 -0.065 0.000 2.443 256 V HA 0.514 4.635 4.120 0.001 0.000 0.293 256 V C 0.295 176.424 176.094 0.059 0.000 1.021 256 V CA -0.722 61.587 62.300 0.016 0.000 0.848 256 V CB 1.641 33.519 31.823 0.092 0.000 0.998 256 V HN 0.266 nan 8.190 nan 0.000 0.424 257 R N 4.471 124.964 120.500 -0.011 0.000 2.598 257 R HA 0.797 5.138 4.340 0.001 0.000 0.279 257 R C -0.961 175.348 176.300 0.015 0.000 0.984 257 R CA -0.608 55.492 56.100 -0.001 0.000 0.999 257 R CB 2.032 32.201 30.300 -0.218 0.000 1.114 257 R HN 0.570 nan 8.270 nan 0.000 0.493 258 I N 0.578 121.153 120.570 0.009 0.000 2.646 258 I HA 0.429 4.600 4.170 0.001 0.000 0.299 258 I C -0.065 175.974 176.117 -0.130 0.000 1.036 258 I CA -0.769 60.457 61.300 -0.124 0.000 1.074 258 I CB 2.459 40.349 38.000 -0.183 0.000 1.258 258 I HN 0.700 nan 8.210 nan 0.000 0.430 259 T N 0.100 114.488 114.554 -0.276 0.000 2.903 259 T HA 0.731 5.081 4.350 0.001 0.000 0.299 259 T C -0.639 173.946 174.700 -0.191 0.000 1.093 259 T CA -0.680 61.278 62.100 -0.236 0.000 1.002 259 T CB 2.360 70.995 68.868 -0.388 0.000 1.127 259 T HN 0.701 nan 8.240 nan 0.000 0.488 260 T N -0.155 114.280 114.554 -0.199 0.000 2.731 260 T HA 0.721 5.071 4.350 0.001 0.000 0.300 260 T C -1.927 172.544 174.700 -0.381 0.000 1.283 260 T CA -0.844 61.087 62.100 -0.282 0.000 1.005 260 T CB 1.937 70.566 68.868 -0.397 0.000 1.420 260 T HN 0.973 nan 8.240 nan 0.000 0.503 261 R N 1.368 121.610 120.500 -0.431 0.000 2.514 261 R HA 0.625 4.965 4.340 0.001 0.000 0.296 261 R C -2.057 173.994 176.300 -0.415 0.000 1.012 261 R CA -0.476 55.395 56.100 -0.381 0.000 0.897 261 R CB 0.491 30.681 30.300 -0.183 0.000 1.184 261 R HN 0.600 nan 8.270 nan 0.000 0.440 262 Y N 3.254 123.461 120.300 -0.155 0.000 2.387 262 Y HA 0.465 5.016 4.550 0.001 0.000 0.330 262 Y C -0.632 175.122 175.900 -0.243 0.000 1.133 262 Y CA -0.515 57.529 58.100 -0.094 0.000 1.152 262 Y CB 1.394 39.831 38.460 -0.040 0.000 1.215 262 Y HN 0.437 nan 8.280 nan 0.000 0.466 263 Y N 0.334 120.762 120.300 0.213 0.000 2.338 263 Y HA 0.201 4.751 4.550 0.001 0.000 0.333 263 Y C 1.093 177.114 175.900 0.201 0.000 0.968 263 Y CA -1.073 57.143 58.100 0.193 0.000 1.123 263 Y CB 1.821 40.420 38.460 0.232 0.000 1.165 263 Y HN 0.679 nan 8.280 nan 0.000 0.452 264 E N 1.602 121.973 120.200 0.284 0.000 2.171 264 E HA -0.219 4.132 4.350 0.001 0.000 0.197 264 E C 0.775 177.557 176.600 0.302 0.000 0.997 264 E CA 2.183 58.729 56.400 0.243 0.000 0.810 264 E CB 0.114 29.916 29.700 0.169 0.000 0.738 264 E HN 0.721 nan 8.360 nan 0.000 0.467 265 D N -1.278 119.333 120.400 0.351 0.000 2.501 265 D HA 0.049 4.689 4.640 0.001 0.000 0.226 265 D C -0.671 175.914 176.300 0.476 0.000 1.198 265 D CA -0.444 53.777 54.000 0.368 0.000 0.830 265 D CB -0.306 40.663 40.800 0.281 0.000 1.014 265 D HN 0.103 nan 8.370 nan 0.000 0.496 266 F N 0.879 120.957 119.950 0.213 0.000 2.915 266 F HA 0.275 4.803 4.527 0.001 0.000 0.350 266 F C -0.178 175.607 175.800 -0.024 0.000 1.248 266 F CA -2.005 56.004 58.000 0.016 0.000 1.084 266 F CB 0.713 39.678 39.000 -0.059 0.000 1.391 266 F HN -0.205 nan 8.300 nan 0.000 0.548 267 F N 4.091 123.636 119.950 -0.676 0.000 2.069 267 F HA -0.220 4.308 4.527 0.001 0.000 0.298 267 F C 1.744 177.117 175.800 -0.711 0.000 1.113 267 F CA 2.318 59.790 58.000 -0.881 0.000 1.214 267 F CB -0.125 38.189 39.000 -1.143 0.000 0.978 267 F HN 0.524 nan 8.300 nan 0.000 0.474 268 N N 1.014 119.196 118.700 -0.865 0.000 2.027 268 N HA -0.293 4.447 4.740 0.001 0.000 0.200 268 N C 2.020 177.320 175.510 -0.350 0.000 1.042 268 N CA 1.994 54.750 53.050 -0.491 0.000 0.871 268 N CB -1.313 36.847 38.487 -0.544 0.000 1.063 268 N HN 0.447 nan 8.380 nan 0.000 0.438 269 A N 0.271 122.874 122.820 -0.362 0.000 1.879 269 A HA -0.237 4.083 4.320 0.001 0.000 0.222 269 A C 2.424 179.992 177.584 -0.027 0.000 1.368 269 A CA 2.865 54.907 52.037 0.008 0.000 0.707 269 A CB -1.601 17.573 19.000 0.291 0.000 0.846 269 A HN 0.446 nan 8.150 nan 0.000 0.468 270 G N -1.025 107.742 108.800 -0.055 0.000 2.402 270 G HA2 -0.050 3.911 3.960 0.001 0.000 0.216 270 G HA3 -0.050 3.911 3.960 0.001 0.000 0.216 270 G C 1.373 176.171 174.900 -0.170 0.000 1.162 270 G CA 1.130 46.155 45.100 -0.124 0.000 0.777 270 G HN 0.405 nan 8.290 nan 0.000 0.539 271 I N 0.365 120.717 120.570 -0.363 0.000 2.163 271 I HA 0.026 4.197 4.170 0.001 0.000 0.240 271 I C 2.453 178.333 176.117 -0.395 0.000 1.081 271 I CA 0.746 61.765 61.300 -0.468 0.000 1.353 271 I CB -1.463 35.958 38.000 -0.964 0.000 1.054 271 I HN 0.060 nan 8.210 nan 0.000 0.407 272 F N 1.299 121.200 119.950 -0.083 0.000 2.367 272 F HA 0.074 4.601 4.527 0.001 0.000 0.298 272 F C 2.578 178.374 175.800 -0.007 0.000 1.094 272 F CA 0.846 58.838 58.000 -0.014 0.000 1.409 272 F CB -1.368 37.629 39.000 -0.005 0.000 1.064 272 F HN 0.060 nan 8.300 nan 0.000 0.528 273 G N -0.988 107.862 108.800 0.083 0.000 2.422 273 G HA2 -0.172 3.789 3.960 0.001 0.000 0.218 273 G HA3 -0.172 3.789 3.960 0.001 0.000 0.218 273 G C 1.749 176.675 174.900 0.044 0.000 1.140 273 G CA 1.325 46.465 45.100 0.066 0.000 0.775 273 G HN 0.279 nan 8.290 nan 0.000 0.545 274 T N 1.141 115.671 114.554 -0.040 0.000 2.857 274 T HA 0.050 4.400 4.350 0.001 0.000 0.266 274 T C 2.403 177.063 174.700 -0.067 0.000 1.048 274 T CA 0.524 62.576 62.100 -0.079 0.000 1.139 274 T CB -0.105 68.705 68.868 -0.097 0.000 0.874 274 T HN 0.135 nan 8.240 nan 0.000 0.455 275 L N -0.091 121.122 121.223 -0.017 0.000 2.109 275 L HA -0.056 4.285 4.340 0.001 0.000 0.207 275 L C 2.507 179.413 176.870 0.060 0.000 1.086 275 L CA 1.336 56.174 54.840 -0.004 0.000 0.760 275 L CB -0.484 41.601 42.059 0.043 0.000 0.910 275 L HN 0.317 nan 8.230 nan 0.000 0.437 276 H N 0.247 119.334 119.070 0.028 0.000 2.321 276 H HA -0.161 4.396 4.556 0.001 0.000 0.300 276 H C 2.171 177.496 175.328 -0.005 0.000 1.087 276 H CA 1.719 57.782 56.048 0.026 0.000 1.319 276 H CB 0.288 30.084 29.762 0.057 0.000 1.379 276 H HN 0.143 nan 8.280 nan 0.000 0.501 277 E N 0.196 120.460 120.200 0.106 0.000 2.150 277 E HA -0.173 4.177 4.350 0.001 0.000 0.193 277 E C 2.377 178.924 176.600 -0.087 0.000 0.985 277 E CA 0.912 57.354 56.400 0.070 0.000 0.814 277 E CB -0.392 29.327 29.700 0.032 0.000 0.752 277 E HN 0.613 nan 8.360 nan 0.000 0.466 278 M N 0.414 119.895 119.600 -0.198 0.000 2.159 278 M HA -0.107 4.374 4.480 0.001 0.000 0.263 278 M C 2.077 178.210 176.300 -0.278 0.000 1.063 278 M CA 1.991 57.068 55.300 -0.372 0.000 1.110 278 M CB -0.359 32.003 32.600 -0.396 0.000 1.374 278 M HN 0.115 nan 8.290 nan 0.000 0.411 279 G N -0.134 108.565 108.800 -0.168 0.000 2.476 279 G HA2 -0.282 3.679 3.960 0.001 0.000 0.218 279 G HA3 -0.282 3.679 3.960 0.001 0.000 0.218 279 G C 1.236 176.147 174.900 0.019 0.000 1.164 279 G CA 1.196 46.275 45.100 -0.034 0.000 0.768 279 G HN 0.533 nan 8.290 nan 0.000 0.560 280 H N 0.857 119.978 119.070 0.085 0.000 2.293 280 H HA -0.012 4.544 4.556 0.001 0.000 0.300 280 H C 3.014 178.461 175.328 0.197 0.000 1.082 280 H CA 1.378 57.586 56.048 0.267 0.000 1.308 280 H CB -0.772 29.101 29.762 0.184 0.000 1.375 280 H HN 0.374 nan 8.280 nan 0.000 0.495 281 A N 1.205 124.125 122.820 0.168 0.000 1.948 281 A HA -0.143 4.178 4.320 0.001 0.000 0.220 281 A C 2.758 180.402 177.584 0.100 0.000 1.177 281 A CA 1.286 53.381 52.037 0.096 0.000 0.636 281 A CB -0.943 18.007 19.000 -0.083 0.000 0.815 281 A HN 0.304 nan 8.150 nan 0.000 0.449 282 L N -2.164 119.072 121.223 0.020 0.000 2.093 282 L HA -0.190 4.150 4.340 0.001 0.000 0.208 282 L C 2.560 179.409 176.870 -0.036 0.000 1.085 282 L CA 1.696 56.545 54.840 0.015 0.000 0.755 282 L CB -0.616 41.377 42.059 -0.111 0.000 0.904 282 L HN 0.662 nan 8.230 nan 0.000 0.435 283 Y N 0.880 120.988 120.300 -0.320 0.000 2.089 283 Y HA -0.272 4.279 4.550 0.001 0.000 0.282 283 Y C 2.744 178.382 175.900 -0.436 0.000 1.139 283 Y CA 0.972 58.595 58.100 -0.795 0.000 1.123 283 Y CB 0.230 38.367 38.460 -0.538 0.000 0.980 283 Y HN 0.159 nan 8.280 nan 0.000 0.493 284 E N 0.632 120.777 120.200 -0.092 0.000 2.097 284 E HA -0.278 4.073 4.350 0.001 0.000 0.196 284 E C 1.919 178.518 176.600 -0.001 0.000 1.000 284 E CA 1.635 57.992 56.400 -0.072 0.000 0.804 284 E CB -0.442 29.286 29.700 0.046 0.000 0.740 284 E HN 0.709 nan 8.360 nan 0.000 0.454 285 Q N -0.716 119.104 119.800 0.035 0.000 2.369 285 Q HA -0.012 4.328 4.340 0.001 0.000 0.206 285 Q C 1.838 177.879 176.000 0.068 0.000 0.963 285 Q CA 0.982 56.814 55.803 0.049 0.000 0.894 285 Q CB 0.091 28.866 28.738 0.061 0.000 0.965 285 Q HN 0.223 nan 8.270 nan 0.000 0.475 286 G N -0.045 108.805 108.800 0.084 0.000 3.088 286 G HA2 0.168 4.129 3.960 0.001 0.000 0.217 286 G HA3 0.168 4.129 3.960 0.001 0.000 0.217 286 G C 0.425 175.437 174.900 0.186 0.000 1.159 286 G CA -0.317 44.902 45.100 0.198 0.000 0.760 286 G HN 0.058 nan 8.290 nan 0.000 0.550 287 L N 2.043 123.333 121.223 0.112 0.000 2.461 287 L HA 0.225 4.566 4.340 0.001 0.000 0.272 287 L C -1.552 175.394 176.870 0.127 0.000 1.197 287 L CA -1.583 53.326 54.840 0.115 0.000 0.836 287 L CB 0.689 42.772 42.059 0.040 0.000 1.105 287 L HN -0.007 nan 8.230 nan 0.000 0.477 288 P HA 0.044 nan 4.420 nan 0.000 0.269 288 P C -0.364 177.021 177.300 0.141 0.000 1.263 288 P CA -0.076 63.112 63.100 0.148 0.000 0.813 288 P CB 0.628 32.467 31.700 0.232 0.000 0.868 289 K N 2.604 123.063 120.400 0.098 0.000 2.152 289 K HA -0.162 4.159 4.320 0.001 0.000 0.206 289 K C 1.851 178.499 176.600 0.079 0.000 1.048 289 K CA 1.388 57.738 56.287 0.105 0.000 0.933 289 K CB 0.023 32.551 32.500 0.047 0.000 0.721 289 K HN 0.552 nan 8.250 nan 0.000 0.447 290 E N 0.542 120.715 120.200 -0.044 0.000 2.409 290 E HA -0.200 4.150 4.350 0.001 0.000 0.198 290 E C 0.691 177.148 176.600 -0.238 0.000 1.024 290 E CA 1.251 57.555 56.400 -0.160 0.000 0.861 290 E CB -0.116 29.418 29.700 -0.278 0.000 0.788 290 E HN 0.503 nan 8.360 nan 0.000 0.521 291 H N -1.133 117.992 119.070 0.092 0.000 2.672 291 H HA 0.101 4.658 4.556 0.001 0.000 0.277 291 H C -0.295 175.055 175.328 0.038 0.000 1.074 291 H CA -0.675 55.404 56.048 0.052 0.000 1.173 291 H CB -0.505 29.258 29.762 0.001 0.000 1.558 291 H HN 0.136 nan 8.280 nan 0.000 0.539 292 W N 2.084 123.408 121.300 0.039 0.000 2.274 292 W HA 0.182 4.842 4.660 0.001 0.000 0.345 292 W C 1.361 177.854 176.519 -0.043 0.000 1.265 292 W CA 2.795 60.127 57.345 -0.023 0.000 1.293 292 W CB 0.404 29.821 29.460 -0.071 0.000 1.175 292 W HN 0.477 nan 8.180 nan 0.000 0.577 293 G N 2.337 110.378 108.800 -1.266 0.000 2.179 293 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 293 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 293 G C 0.080 174.774 174.900 -0.344 0.000 0.977 293 G CA 0.621 45.142 45.100 -0.964 0.000 0.641 293 G HN 1.204 nan 8.290 nan 0.000 0.533 294 T N -3.672 110.746 114.554 -0.226 0.000 2.901 294 T HA 0.722 5.073 4.350 0.001 0.000 0.293 294 T C -1.749 172.838 174.700 -0.187 0.000 1.084 294 T CA -1.066 60.993 62.100 -0.067 0.000 1.008 294 T CB 2.996 71.873 68.868 0.015 0.000 1.170 294 T HN -0.140 nan 8.240 nan 0.000 0.509 295 P HA -0.019 nan 4.420 nan 0.000 0.218 295 P C 1.543 178.690 177.300 -0.255 0.000 1.149 295 P CA 0.556 63.488 63.100 -0.279 0.000 0.817 295 P CB 0.091 31.549 31.700 -0.402 0.000 0.785 296 R N 0.254 120.572 120.500 -0.304 0.000 2.193 296 R HA -0.022 4.319 4.340 0.001 0.000 0.229 296 R C 1.779 177.947 176.300 -0.220 0.000 1.110 296 R CA 1.807 57.701 56.100 -0.344 0.000 0.988 296 R CB -1.466 28.487 30.300 -0.578 0.000 0.871 296 R HN 0.165 nan 8.270 nan 0.000 0.458 297 G N -0.878 107.853 108.800 -0.116 0.000 3.393 297 G HA2 0.114 4.074 3.960 0.001 0.000 0.255 297 G HA3 0.114 4.074 3.960 0.001 0.000 0.255 297 G C -0.700 174.147 174.900 -0.089 0.000 1.097 297 G CA -0.362 44.726 45.100 -0.021 0.000 0.780 297 G HN 0.187 nan 8.290 nan 0.000 0.540 298 D N 0.517 120.839 120.400 -0.130 0.000 2.272 298 D HA 0.528 5.169 4.640 0.001 0.000 0.247 298 D C 0.287 176.517 176.300 -0.117 0.000 0.990 298 D CA -0.319 53.597 54.000 -0.140 0.000 0.931 298 D CB 1.861 42.578 40.800 -0.138 0.000 1.195 298 D HN 0.092 nan 8.370 nan 0.000 0.477 299 A N 0.707 123.420 122.820 -0.180 0.000 2.511 299 A HA 0.085 4.405 4.320 0.001 0.000 0.242 299 A C 1.333 178.935 177.584 0.030 0.000 1.069 299 A CA -0.289 51.610 52.037 -0.231 0.000 0.763 299 A CB 0.534 19.305 19.000 -0.381 0.000 1.001 299 A HN 0.429 nan 8.150 nan 0.000 0.498 300 V N 2.495 122.507 119.914 0.163 0.000 2.515 300 V HA 0.044 4.164 4.120 0.001 0.000 0.250 300 V C 1.015 177.212 176.094 0.172 0.000 1.058 300 V CA 2.488 64.879 62.300 0.152 0.000 1.064 300 V CB -0.420 31.508 31.823 0.176 0.000 0.675 300 V HN 1.528 nan 8.190 nan 0.000 0.461 301 S N -3.126 112.722 115.700 0.247 0.000 2.615 301 S HA 0.343 4.813 4.470 0.001 0.000 0.268 301 S C -0.012 174.757 174.600 0.281 0.000 1.146 301 S CA -0.363 57.977 58.200 0.234 0.000 0.818 301 S CB 0.943 64.284 63.200 0.235 0.000 1.111 301 S HN 0.026 nan 8.310 nan 0.000 0.465 302 L N 0.961 122.292 121.223 0.180 0.000 2.141 302 L HA 0.100 4.441 4.340 0.001 0.000 0.209 302 L C 2.657 179.621 176.870 0.157 0.000 1.094 302 L CA 1.760 56.661 54.840 0.102 0.000 0.763 302 L CB -1.117 40.838 42.059 -0.175 0.000 0.908 302 L HN 1.002 nan 8.230 nan 0.000 0.437 303 G N -0.349 108.560 108.800 0.182 0.000 2.404 303 G HA2 -0.173 3.787 3.960 0.001 0.000 0.215 303 G HA3 -0.173 3.787 3.960 0.001 0.000 0.215 303 G C 1.564 176.706 174.900 0.405 0.000 1.174 303 G CA 0.737 45.955 45.100 0.197 0.000 0.780 303 G HN 0.185 nan 8.290 nan 0.000 0.537 304 V N 0.159 120.383 119.914 0.517 0.000 2.667 304 V HA -0.122 3.999 4.120 0.001 0.000 0.252 304 V C 2.458 178.791 176.094 0.398 0.000 1.065 304 V CA 1.547 64.142 62.300 0.492 0.000 1.083 304 V CB -0.511 31.529 31.823 0.361 0.000 0.692 304 V HN 0.414 nan 8.190 nan 0.000 0.468 305 H N 0.396 119.731 119.070 0.443 0.000 2.326 305 H HA -0.128 4.428 4.556 0.001 0.000 0.301 305 H C 2.382 177.943 175.328 0.389 0.000 1.081 305 H CA 2.045 58.415 56.048 0.537 0.000 1.334 305 H CB 0.139 30.166 29.762 0.441 0.000 1.385 305 H HN 0.452 nan 8.280 nan 0.000 0.504 306 E N 0.533 121.015 120.200 0.471 0.000 2.204 306 E HA -0.123 4.228 4.350 0.001 0.000 0.195 306 E C 2.354 179.061 176.600 0.179 0.000 0.990 306 E CA 1.294 57.872 56.400 0.297 0.000 0.821 306 E CB -0.130 29.706 29.700 0.227 0.000 0.750 306 E HN 0.442 nan 8.360 nan 0.000 0.477 307 S N -0.640 115.204 115.700 0.240 0.000 2.402 307 S HA -0.142 4.329 4.470 0.001 0.000 0.229 307 S C 1.774 176.503 174.600 0.215 0.000 1.021 307 S CA 0.662 59.010 58.200 0.247 0.000 0.974 307 S CB -0.182 63.277 63.200 0.432 0.000 0.800 307 S HN 0.163 nan 8.310 nan 0.000 0.484 308 Q N 1.664 121.574 119.800 0.182 0.000 2.187 308 Q HA 0.039 4.380 4.340 0.001 0.000 0.199 308 Q C 2.671 178.766 176.000 0.159 0.000 0.957 308 Q CA 1.625 57.544 55.803 0.194 0.000 0.857 308 Q CB -0.694 28.123 28.738 0.133 0.000 0.929 308 Q HN 0.844 nan 8.270 nan 0.000 0.453 309 S N 0.228 115.849 115.700 -0.132 0.000 2.387 309 S HA -0.002 4.469 4.470 0.001 0.000 0.226 309 S C 1.836 176.314 174.600 -0.202 0.000 1.026 309 S CA 0.305 58.228 58.200 -0.461 0.000 0.972 309 S CB 0.016 62.361 63.200 -1.425 0.000 0.814 309 S HN 0.120 nan 8.310 nan 0.000 0.477 310 R N 1.265 121.732 120.500 -0.054 0.000 2.115 310 R HA 0.102 4.443 4.340 0.001 0.000 0.226 310 R C 2.354 178.659 176.300 0.009 0.000 1.100 310 R CA 1.372 57.504 56.100 0.054 0.000 0.980 310 R CB -1.719 28.624 30.300 0.072 0.000 0.875 310 R HN 0.491 nan 8.270 nan 0.000 0.445 311 T N -0.114 114.447 114.554 0.012 0.000 2.684 311 T HA -0.170 4.181 4.350 0.001 0.000 0.267 311 T C 1.455 175.983 174.700 -0.285 0.000 1.036 311 T CA 1.515 63.549 62.100 -0.110 0.000 1.148 311 T CB -0.174 68.695 68.868 0.003 0.000 0.863 311 T HN 0.400 nan 8.240 nan 0.000 0.436 312 W N 1.180 122.483 121.300 0.005 0.000 2.523 312 W HA 0.193 4.853 4.660 0.001 0.000 0.278 312 W C 2.478 178.915 176.519 -0.136 0.000 1.236 312 W CA 0.123 57.422 57.345 -0.076 0.000 1.306 312 W CB -0.117 29.297 29.460 -0.076 0.000 1.101 312 W HN 0.302 nan 8.180 nan 0.000 0.577 313 E N 0.538 120.813 120.200 0.125 0.000 2.047 313 E HA -0.177 4.173 4.350 0.001 0.000 0.191 313 E C 1.293 177.905 176.600 0.021 0.000 0.987 313 E CA 1.534 58.014 56.400 0.132 0.000 0.799 313 E CB -0.234 29.607 29.700 0.235 0.000 0.752 313 E HN 0.447 nan 8.360 nan 0.000 0.449 314 N N -0.431 118.250 118.700 -0.030 0.000 2.607 314 N HA 0.088 4.828 4.740 0.001 0.000 0.207 314 N C 2.084 177.525 175.510 -0.115 0.000 1.040 314 N CA 0.155 53.174 53.050 -0.052 0.000 0.947 314 N CB 0.114 38.616 38.487 0.024 0.000 1.293 314 N HN 0.012 nan 8.380 nan 0.000 0.446 315 L N 1.244 122.294 121.223 -0.289 0.000 2.043 315 L HA -0.148 4.192 4.340 0.001 0.000 0.212 315 L C 2.062 178.663 176.870 -0.447 0.000 1.075 315 L CA 1.198 55.683 54.840 -0.591 0.000 0.752 315 L CB -0.462 40.965 42.059 -1.052 0.000 0.891 315 L HN 0.093 nan 8.230 nan 0.000 0.432 316 V N -0.583 119.073 119.914 -0.431 0.000 2.391 316 V HA 0.043 4.163 4.120 0.001 0.000 0.237 316 V C 2.595 178.407 176.094 -0.470 0.000 1.046 316 V CA 1.385 63.395 62.300 -0.483 0.000 1.053 316 V CB -1.056 30.358 31.823 -0.682 0.000 0.704 316 V HN 0.433 nan 8.190 nan 0.000 0.475 317 G N 0.524 108.987 108.800 -0.562 0.000 2.503 317 G HA2 -0.272 3.689 3.960 0.001 0.000 0.221 317 G HA3 -0.272 3.689 3.960 0.001 0.000 0.221 317 G C 1.483 176.354 174.900 -0.049 0.000 1.131 317 G CA 0.893 45.578 45.100 -0.692 0.000 0.756 317 G HN 0.490 nan 8.290 nan 0.000 0.572 318 R N 0.255 120.824 120.500 0.115 0.000 2.552 318 R HA 0.235 4.575 4.340 0.001 0.000 0.314 318 R C 0.332 176.925 176.300 0.487 0.000 1.041 318 R CA 0.110 56.418 56.100 0.347 0.000 1.076 318 R CB 0.619 30.916 30.300 -0.005 0.000 1.290 318 R HN 0.375 nan 8.270 nan 0.000 0.563 319 S N -0.387 115.585 115.700 0.452 0.000 2.616 319 S HA 0.127 4.597 4.470 0.001 0.000 0.277 319 S C 1.055 175.941 174.600 0.476 0.000 1.234 319 S CA -0.806 57.674 58.200 0.465 0.000 1.028 319 S CB 1.665 65.073 63.200 0.347 0.000 0.988 319 S HN 0.113 nan 8.310 nan 0.000 0.522 320 L N 3.098 124.366 121.223 0.074 0.000 2.012 320 L HA 0.099 4.439 4.340 0.001 0.000 0.210 320 L C 2.386 179.336 176.870 0.134 0.000 1.073 320 L CA 2.578 57.272 54.840 -0.243 0.000 0.748 320 L CB -1.517 40.339 42.059 -0.338 0.000 0.891 320 L HN 1.008 nan 8.230 nan 0.000 0.431 321 G N -1.265 107.663 108.800 0.212 0.000 2.476 321 G HA2 -0.383 3.578 3.960 0.001 0.000 0.218 321 G HA3 -0.383 3.578 3.960 0.001 0.000 0.218 321 G C 1.589 176.676 174.900 0.311 0.000 1.164 321 G CA 0.983 46.238 45.100 0.258 0.000 0.768 321 G HN 0.460 nan 8.290 nan 0.000 0.560 322 F N 0.326 120.417 119.950 0.236 0.000 2.069 322 F HA -0.096 4.432 4.527 0.001 0.000 0.298 322 F C 2.389 178.218 175.800 0.048 0.000 1.113 322 F CA 1.749 59.833 58.000 0.141 0.000 1.214 322 F CB -0.317 38.665 39.000 -0.031 0.000 0.978 322 F HN 0.243 nan 8.300 nan 0.000 0.474 323 W N 0.639 122.270 121.300 0.551 0.000 2.467 323 W HA -0.030 4.631 4.660 0.001 0.000 0.275 323 W C 2.317 179.005 176.519 0.281 0.000 1.239 323 W CA 0.920 58.555 57.345 0.483 0.000 1.266 323 W CB -0.496 29.309 29.460 0.575 0.000 1.112 323 W HN 0.044 nan 8.180 nan 0.000 0.576 324 E N 0.130 120.514 120.200 0.308 0.000 2.204 324 E HA -0.244 4.106 4.350 0.001 0.000 0.195 324 E C 2.089 178.739 176.600 0.083 0.000 0.990 324 E CA 1.056 57.563 56.400 0.179 0.000 0.821 324 E CB -0.044 29.711 29.700 0.092 0.000 0.750 324 E HN 0.054 nan 8.360 nan 0.000 0.477 325 R N -0.120 120.336 120.500 -0.072 0.000 2.066 325 R HA -0.020 4.320 4.340 0.001 0.000 0.224 325 R C 1.217 177.250 176.300 -0.445 0.000 1.122 325 R CA 1.314 57.185 56.100 -0.381 0.000 0.974 325 R CB -0.168 29.688 30.300 -0.741 0.000 0.871 325 R HN 0.067 nan 8.270 nan 0.000 0.435 326 F N -0.886 119.077 119.950 0.022 0.000 2.721 326 F HA 0.242 4.770 4.527 0.001 0.000 0.301 326 F C 1.293 177.380 175.800 0.478 0.000 1.096 326 F CA -0.537 57.554 58.000 0.152 0.000 1.308 326 F CB -0.264 38.659 39.000 -0.129 0.000 1.086 326 F HN -0.040 nan 8.300 nan 0.000 0.587 327 F N 2.652 122.925 119.950 0.538 0.000 2.134 327 F HA -0.031 4.497 4.527 0.001 0.000 0.299 327 F C -0.749 175.159 175.800 0.181 0.000 1.097 327 F CA 0.857 59.100 58.000 0.405 0.000 1.264 327 F CB -1.585 37.608 39.000 0.321 0.000 1.001 327 F HN -0.110 nan 8.300 nan 0.000 0.479 328 P HA -0.209 nan 4.420 nan 0.000 0.215 328 P C 1.511 178.762 177.300 -0.081 0.000 1.153 328 P CA 1.822 64.892 63.100 -0.050 0.000 0.853 328 P CB -0.076 31.650 31.700 0.044 0.000 0.788 329 R N 0.477 121.018 120.500 0.069 0.000 2.081 329 R HA -0.041 4.300 4.340 0.001 0.000 0.235 329 R C 2.058 178.297 176.300 -0.101 0.000 1.131 329 R CA 2.016 58.169 56.100 0.089 0.000 0.960 329 R CB -1.618 28.892 30.300 0.351 0.000 0.856 329 R HN 0.046 nan 8.270 nan 0.000 0.436 330 A N 0.589 123.322 122.820 -0.146 0.000 1.940 330 A HA -0.144 4.177 4.320 0.001 0.000 0.219 330 A C 2.178 179.526 177.584 -0.394 0.000 1.176 330 A CA 1.623 53.402 52.037 -0.430 0.000 0.631 330 A CB -0.472 18.394 19.000 -0.224 0.000 0.814 330 A HN 0.380 nan 8.150 nan 0.000 0.446 331 R N -0.580 119.619 120.500 -0.501 0.000 2.235 331 R HA -0.056 4.285 4.340 0.001 0.000 0.213 331 R C 1.805 177.947 176.300 -0.263 0.000 1.059 331 R CA 1.173 57.017 56.100 -0.427 0.000 0.997 331 R CB -0.124 29.861 30.300 -0.525 0.000 0.884 331 R HN 0.691 nan 8.270 nan 0.000 0.462 332 E N -0.036 120.018 120.200 -0.242 0.000 2.112 332 E HA -0.108 4.242 4.350 0.001 0.000 0.190 332 E C 1.863 178.323 176.600 -0.233 0.000 0.979 332 E CA 1.346 57.636 56.400 -0.183 0.000 0.814 332 E CB 0.290 29.915 29.700 -0.126 0.000 0.762 332 E HN 0.234 nan 8.360 nan 0.000 0.460 333 V N -1.820 117.861 119.914 -0.387 0.000 3.471 333 V HA 0.157 4.278 4.120 0.001 0.000 0.258 333 V C 0.106 175.792 176.094 -0.679 0.000 1.192 333 V CA 0.229 62.188 62.300 -0.568 0.000 1.116 333 V CB -0.148 31.200 31.823 -0.792 0.000 0.792 333 V HN -0.076 nan 8.190 nan 0.000 0.459 334 F N 0.884 120.744 119.950 -0.149 0.000 2.445 334 F HA 0.866 5.394 4.527 0.001 0.000 0.348 334 F C 1.287 176.990 175.800 -0.163 0.000 1.125 334 F CA -0.703 57.227 58.000 -0.117 0.000 0.983 334 F CB 1.382 40.369 39.000 -0.023 0.000 1.198 334 F HN 0.027 nan 8.300 nan 0.000 0.436 335 A N 1.672 124.507 122.820 0.024 0.000 1.948 335 A HA -0.168 4.152 4.320 0.001 0.000 0.220 335 A C 2.169 179.708 177.584 -0.075 0.000 1.177 335 A CA 2.195 54.208 52.037 -0.041 0.000 0.636 335 A CB -0.660 18.316 19.000 -0.041 0.000 0.815 335 A HN 0.639 nan 8.150 nan 0.000 0.449 336 S N -0.710 114.899 115.700 -0.151 0.000 2.537 336 S HA -0.034 4.437 4.470 0.001 0.000 0.240 336 S C 1.230 175.764 174.600 -0.110 0.000 0.981 336 S CA 0.896 58.967 58.200 -0.216 0.000 0.948 336 S CB -0.140 62.729 63.200 -0.552 0.000 0.759 336 S HN 0.348 nan 8.310 nan 0.000 0.531 337 L N 0.735 121.916 121.223 -0.070 0.000 2.590 337 L HA 0.326 4.666 4.340 0.001 0.000 0.227 337 L C 2.301 179.135 176.870 -0.059 0.000 1.099 337 L CA 0.355 55.162 54.840 -0.054 0.000 0.872 337 L CB -1.531 40.433 42.059 -0.158 0.000 1.088 337 L HN 0.301 nan 8.230 nan 0.000 0.479 338 G N 0.571 109.333 108.800 -0.064 0.000 2.606 338 G HA2 -0.329 3.631 3.960 0.001 0.000 0.221 338 G HA3 -0.329 3.631 3.960 0.001 0.000 0.221 338 G C 0.986 175.878 174.900 -0.012 0.000 1.152 338 G CA 1.339 46.408 45.100 -0.051 0.000 0.765 338 G HN 0.574 nan 8.290 nan 0.000 0.595 339 D N -0.157 120.250 120.400 0.012 0.000 2.491 339 D HA 0.182 4.822 4.640 0.001 0.000 0.228 339 D C -0.003 176.343 176.300 0.076 0.000 1.183 339 D CA -0.273 53.749 54.000 0.037 0.000 0.827 339 D CB 0.118 40.934 40.800 0.027 0.000 0.989 339 D HN 0.147 nan 8.370 nan 0.000 0.494 340 V N 1.144 121.129 119.914 0.120 0.000 2.555 340 V HA 0.374 4.495 4.120 0.001 0.000 0.302 340 V C 0.554 176.846 176.094 0.330 0.000 1.038 340 V CA -0.911 61.514 62.300 0.209 0.000 0.887 340 V CB 1.665 33.646 31.823 0.263 0.000 0.991 340 V HN 0.352 nan 8.190 nan 0.000 0.434 341 S N 3.846 119.676 115.700 0.216 0.000 2.672 341 S HA 0.451 4.921 4.470 0.001 0.000 0.276 341 S C 0.762 175.298 174.600 -0.107 0.000 1.207 341 S CA -0.496 57.805 58.200 0.169 0.000 1.002 341 S CB 1.520 64.773 63.200 0.089 0.000 0.998 341 S HN 0.638 nan 8.310 nan 0.000 0.542 342 L N 1.327 122.428 121.223 -0.203 0.000 1.989 342 L HA -0.023 4.317 4.340 0.001 0.000 0.211 342 L C 2.253 178.988 176.870 -0.224 0.000 1.071 342 L CA 2.175 56.695 54.840 -0.534 0.000 0.749 342 L CB -1.523 40.460 42.059 -0.128 0.000 0.890 342 L HN 0.839 nan 8.230 nan 0.000 0.431 343 E N 0.191 120.352 120.200 -0.064 0.000 2.065 343 E HA -0.259 4.092 4.350 0.001 0.000 0.201 343 E C 1.974 178.600 176.600 0.043 0.000 1.016 343 E CA 1.863 58.267 56.400 0.006 0.000 0.818 343 E CB -0.601 29.103 29.700 0.006 0.000 0.749 343 E HN 0.580 nan 8.360 nan 0.000 0.453 344 D N -0.912 119.507 120.400 0.031 0.000 2.117 344 D HA -0.123 4.518 4.640 0.001 0.000 0.197 344 D C 1.523 177.840 176.300 0.028 0.000 0.987 344 D CA 0.680 54.719 54.000 0.065 0.000 0.829 344 D CB -0.221 40.621 40.800 0.069 0.000 0.961 344 D HN 0.093 nan 8.370 nan 0.000 0.460 345 F N 0.303 120.113 119.950 -0.234 0.000 2.113 345 F HA -0.139 4.388 4.527 0.001 0.000 0.297 345 F C 2.348 177.986 175.800 -0.269 0.000 1.103 345 F CA 1.496 59.297 58.000 -0.330 0.000 1.248 345 F CB -0.525 38.082 39.000 -0.655 0.000 0.999 345 F HN 0.044 nan 8.300 nan 0.000 0.475 346 H N -0.952 117.961 119.070 -0.262 0.000 2.387 346 H HA -0.228 4.328 4.556 0.001 0.000 0.299 346 H C 2.034 177.293 175.328 -0.115 0.000 1.099 346 H CA 2.228 58.154 56.048 -0.204 0.000 1.315 346 H CB -0.685 29.068 29.762 -0.016 0.000 1.380 346 H HN 0.291 nan 8.280 nan 0.000 0.513 347 F N 0.743 120.495 119.950 -0.330 0.000 2.206 347 F HA 0.087 4.615 4.527 0.001 0.000 0.298 347 F C 2.378 177.974 175.800 -0.339 0.000 1.090 347 F CA 1.057 58.838 58.000 -0.365 0.000 1.323 347 F CB -1.154 37.691 39.000 -0.259 0.000 1.028 347 F HN 0.280 nan 8.300 nan 0.000 0.492 348 A N 0.378 123.016 122.820 -0.304 0.000 1.858 348 A HA -0.146 4.175 4.320 0.001 0.000 0.216 348 A C 2.178 179.548 177.584 -0.357 0.000 1.190 348 A CA 2.393 54.202 52.037 -0.379 0.000 0.617 348 A CB -1.606 17.201 19.000 -0.323 0.000 0.827 348 A HN 0.385 nan 8.150 nan 0.000 0.443 349 V N -2.576 117.040 119.914 -0.497 0.000 3.383 349 V HA -0.017 4.104 4.120 0.001 0.000 0.272 349 V C 0.771 176.688 176.094 -0.295 0.000 1.181 349 V CA 1.853 63.920 62.300 -0.389 0.000 1.171 349 V CB -0.857 30.705 31.823 -0.434 0.000 0.800 349 V HN 0.493 nan 8.190 nan 0.000 0.515 350 N N 0.911 119.469 118.700 -0.237 0.000 2.235 350 N HA 0.438 5.178 4.740 0.001 0.000 0.231 350 N C 0.659 176.247 175.510 0.131 0.000 1.177 350 N CA 0.582 53.590 53.050 -0.071 0.000 0.874 350 N CB 1.157 39.531 38.487 -0.188 0.000 1.097 350 N HN 0.608 nan 8.380 nan 0.000 0.518 351 A N 0.736 123.555 122.820 -0.002 0.000 2.561 351 A HA 0.248 4.568 4.320 0.001 0.000 0.234 351 A C 0.372 178.046 177.584 0.150 0.000 1.055 351 A CA 0.367 52.432 52.037 0.047 0.000 0.756 351 A CB 0.366 19.330 19.000 -0.059 0.000 0.986 351 A HN 0.002 nan 8.150 nan 0.000 0.505 352 V N 2.386 122.435 119.914 0.226 0.000 2.495 352 V HA 0.654 4.775 4.120 0.001 0.000 0.298 352 V C -0.049 176.051 176.094 0.010 0.000 1.031 352 V CA -0.360 61.972 62.300 0.055 0.000 0.871 352 V CB 1.497 33.265 31.823 -0.091 0.000 0.988 352 V HN 1.017 nan 8.190 nan 0.000 0.432 353 E N 5.316 125.507 120.200 -0.014 0.000 2.454 353 E HA 0.366 4.716 4.350 0.001 0.000 0.315 353 E C -2.972 173.626 176.600 -0.004 0.000 0.907 353 E CA -1.556 54.837 56.400 -0.013 0.000 0.797 353 E CB 2.487 32.193 29.700 0.010 0.000 1.396 353 E HN 0.438 nan 8.360 nan 0.000 0.389 354 P HA 0.021 nan 4.420 nan 0.000 0.262 354 P C -1.139 176.178 177.300 0.029 0.000 1.182 354 P CA 0.441 63.530 63.100 -0.018 0.000 0.761 354 P CB 0.713 32.380 31.700 -0.055 0.000 0.795 355 S N 1.559 117.316 115.700 0.096 0.000 2.625 355 S HA 0.378 4.849 4.470 0.001 0.000 0.271 355 S C 0.595 175.359 174.600 0.273 0.000 1.161 355 S CA -0.928 57.352 58.200 0.132 0.000 0.820 355 S CB 0.755 64.013 63.200 0.097 0.000 1.137 355 S HN 0.157 nan 8.310 nan 0.000 0.470 356 L N 0.079 121.436 121.223 0.224 0.000 2.217 356 L HA 0.268 4.609 4.340 0.001 0.000 0.211 356 L C 0.235 177.321 176.870 0.360 0.000 1.107 356 L CA 0.976 55.991 54.840 0.292 0.000 0.783 356 L CB -0.398 41.716 42.059 0.092 0.000 0.919 356 L HN 0.551 nan 8.230 nan 0.000 0.442 357 I N 0.070 120.754 120.570 0.190 0.000 2.312 357 I HA 0.089 4.260 4.170 0.001 0.000 0.290 357 I C 1.394 177.375 176.117 -0.228 0.000 1.008 357 I CA -0.165 61.164 61.300 0.048 0.000 1.226 357 I CB 1.651 39.658 38.000 0.013 0.000 1.371 357 I HN 0.082 nan 8.210 nan 0.000 0.468 358 R N 4.944 125.190 120.500 -0.423 0.000 2.083 358 R HA -0.144 4.197 4.340 0.001 0.000 0.237 358 R C 1.833 177.950 176.300 -0.305 0.000 1.137 358 R CA 1.754 57.360 56.100 -0.824 0.000 0.951 358 R CB -0.112 29.827 30.300 -0.601 0.000 0.851 358 R HN 0.581 nan 8.270 nan 0.000 0.434 359 V N 1.268 121.114 119.914 -0.114 0.000 2.828 359 V HA -0.183 3.938 4.120 0.001 0.000 0.260 359 V C 0.683 176.789 176.094 0.020 0.000 1.101 359 V CA 2.051 64.359 62.300 0.013 0.000 1.123 359 V CB -0.294 31.557 31.823 0.046 0.000 0.704 359 V HN 0.453 nan 8.190 nan 0.000 0.493 360 E N -0.481 119.707 120.200 -0.019 0.000 2.603 360 E HA 0.385 4.736 4.350 0.001 0.000 0.211 360 E C 0.461 177.071 176.600 0.015 0.000 0.995 360 E CA 0.229 56.635 56.400 0.009 0.000 0.990 360 E CB 0.769 30.467 29.700 -0.004 0.000 1.036 360 E HN 0.573 nan 8.360 nan 0.000 0.475 361 A N 2.191 125.010 122.820 -0.002 0.000 2.371 361 A HA 0.211 4.532 4.320 0.001 0.000 0.257 361 A C 0.039 177.679 177.584 0.095 0.000 1.089 361 A CA -0.528 51.534 52.037 0.042 0.000 0.794 361 A CB 0.156 19.138 19.000 -0.029 0.000 1.029 361 A HN 0.207 nan 8.150 nan 0.000 0.488 362 D N 0.260 120.704 120.400 0.072 0.000 2.384 362 D HA 0.172 4.813 4.640 0.001 0.000 0.244 362 D C 1.037 177.379 176.300 0.070 0.000 1.251 362 D CA 0.159 54.185 54.000 0.044 0.000 0.961 362 D CB 0.390 41.200 40.800 0.017 0.000 1.116 362 D HN 0.703 nan 8.370 nan 0.000 0.484 363 E N -0.356 119.873 120.200 0.049 0.000 2.268 363 E HA -0.173 4.178 4.350 0.001 0.000 0.195 363 E C 1.414 178.074 176.600 0.100 0.000 0.995 363 E CA 0.733 57.199 56.400 0.110 0.000 0.836 363 E CB -0.173 29.619 29.700 0.153 0.000 0.763 363 E HN 0.339 nan 8.360 nan 0.000 0.491 364 V N 1.500 121.356 119.914 -0.096 0.000 2.649 364 V HA -0.135 3.985 4.120 0.001 0.000 0.248 364 V C 2.527 178.578 176.094 -0.072 0.000 1.054 364 V CA 1.873 64.052 62.300 -0.202 0.000 1.073 364 V CB -0.056 31.457 31.823 -0.516 0.000 0.699 364 V HN 0.623 nan 8.190 nan 0.000 0.463 365 T N -3.597 110.947 114.554 -0.016 0.000 3.015 365 T HA -0.040 4.311 4.350 0.001 0.000 0.250 365 T C 1.747 176.519 174.700 0.120 0.000 1.057 365 T CA 0.363 62.471 62.100 0.012 0.000 1.066 365 T CB -0.395 68.477 68.868 0.006 0.000 0.959 365 T HN 0.375 nan 8.240 nan 0.000 0.488 366 Y N 3.632 123.960 120.300 0.047 0.000 2.069 366 Y HA -0.275 4.276 4.550 0.001 0.000 0.278 366 Y C 2.178 178.088 175.900 0.017 0.000 1.175 366 Y CA 2.227 60.346 58.100 0.032 0.000 1.134 366 Y CB -0.636 37.810 38.460 -0.023 0.000 0.965 366 Y HN 0.190 nan 8.280 nan 0.000 0.498 367 N N 0.390 119.141 118.700 0.086 0.000 2.205 367 N HA -0.191 4.550 4.740 0.001 0.000 0.186 367 N C 1.908 177.278 175.510 -0.234 0.000 1.015 367 N CA 1.602 54.591 53.050 -0.102 0.000 0.862 367 N CB -0.477 37.975 38.487 -0.059 0.000 0.986 367 N HN 0.444 nan 8.380 nan 0.000 0.429 368 L N 0.211 121.320 121.223 -0.190 0.000 2.131 368 L HA -0.176 4.164 4.340 0.001 0.000 0.210 368 L C 2.005 178.597 176.870 -0.464 0.000 1.092 368 L CA 1.154 55.844 54.840 -0.250 0.000 0.759 368 L CB -0.474 41.435 42.059 -0.250 0.000 0.903 368 L HN 0.195 nan 8.230 nan 0.000 0.435 369 H N -0.764 117.970 119.070 -0.561 0.000 2.387 369 H HA -0.134 4.423 4.556 0.001 0.000 0.299 369 H C 2.140 177.059 175.328 -0.683 0.000 1.090 369 H CA 1.323 56.945 56.048 -0.709 0.000 1.332 369 H CB 0.146 29.515 29.762 -0.655 0.000 1.386 369 H HN 0.133 nan 8.280 nan 0.000 0.516 370 I N 0.269 120.555 120.570 -0.473 0.000 2.286 370 I HA -0.196 3.974 4.170 0.001 0.000 0.245 370 I C 2.151 178.122 176.117 -0.244 0.000 1.104 370 I CA 1.008 62.084 61.300 -0.373 0.000 1.397 370 I CB -0.953 36.913 38.000 -0.224 0.000 1.072 370 I HN 0.308 nan 8.210 nan 0.000 0.417 371 L N 0.704 121.773 121.223 -0.256 0.000 2.042 371 L HA -0.200 4.140 4.340 0.001 0.000 0.210 371 L C 2.825 179.566 176.870 -0.214 0.000 1.076 371 L CA 1.540 56.317 54.840 -0.105 0.000 0.749 371 L CB -0.961 41.097 42.059 -0.000 0.000 0.893 371 L HN 0.234 nan 8.230 nan 0.000 0.432 372 V N -1.570 118.029 119.914 -0.526 0.000 2.358 372 V HA -0.234 3.887 4.120 0.001 0.000 0.246 372 V C 2.518 178.431 176.094 -0.302 0.000 1.047 372 V CA 1.369 63.314 62.300 -0.591 0.000 1.035 372 V CB -0.642 30.656 31.823 -0.876 0.000 0.658 372 V HN 0.355 nan 8.190 nan 0.000 0.452 373 R N -0.083 120.233 120.500 -0.305 0.000 2.096 373 R HA -0.054 4.286 4.340 0.001 0.000 0.235 373 R C 2.296 178.757 176.300 0.269 0.000 1.127 373 R CA 1.848 57.935 56.100 -0.021 0.000 0.968 373 R CB -0.662 29.390 30.300 -0.413 0.000 0.861 373 R HN 0.576 nan 8.270 nan 0.000 0.440 374 L N 1.455 122.789 121.223 0.185 0.000 2.017 374 L HA -0.142 4.199 4.340 0.001 0.000 0.208 374 L C 1.787 178.730 176.870 0.123 0.000 1.073 374 L CA 1.838 56.825 54.840 0.244 0.000 0.745 374 L CB -0.357 41.877 42.059 0.293 0.000 0.894 374 L HN 0.111 nan 8.230 nan 0.000 0.432 375 E N -0.438 119.805 120.200 0.071 0.000 2.085 375 E HA -0.245 4.105 4.350 0.001 0.000 0.194 375 E C 2.241 178.875 176.600 0.056 0.000 0.994 375 E CA 1.791 58.212 56.400 0.035 0.000 0.801 375 E CB -0.296 29.402 29.700 -0.003 0.000 0.743 375 E HN 0.540 nan 8.360 nan 0.000 0.453 376 L N 0.724 122.015 121.223 0.114 0.000 2.056 376 L HA -0.181 4.160 4.340 0.001 0.000 0.207 376 L C 2.366 179.320 176.870 0.141 0.000 1.078 376 L CA 1.140 56.074 54.840 0.158 0.000 0.749 376 L CB -0.379 41.876 42.059 0.327 0.000 0.901 376 L HN 0.124 nan 8.230 nan 0.000 0.433 377 E N 0.259 120.618 120.200 0.264 0.000 2.077 377 E HA -0.211 4.140 4.350 0.001 0.000 0.193 377 E C 2.371 179.096 176.600 0.208 0.000 0.989 377 E CA 1.056 57.667 56.400 0.351 0.000 0.800 377 E CB -0.130 29.969 29.700 0.666 0.000 0.746 377 E HN 0.450 nan 8.360 nan 0.000 0.452 378 L N 0.615 121.815 121.223 -0.040 0.000 2.046 378 L HA -0.208 4.133 4.340 0.001 0.000 0.208 378 L C 2.629 179.510 176.870 0.017 0.000 1.077 378 L CA 0.977 55.746 54.840 -0.118 0.000 0.747 378 L CB -0.555 41.399 42.059 -0.174 0.000 0.896 378 L HN 0.151 nan 8.230 nan 0.000 0.432 379 A N 0.420 123.247 122.820 0.011 0.000 1.865 379 A HA -0.206 4.114 4.320 0.001 0.000 0.217 379 A C 2.234 179.801 177.584 -0.029 0.000 1.191 379 A CA 1.582 53.618 52.037 -0.001 0.000 0.623 379 A CB -0.826 18.173 19.000 -0.002 0.000 0.826 379 A HN 0.313 nan 8.150 nan 0.000 0.444 380 L N -1.991 119.176 121.223 -0.093 0.000 1.951 380 L HA -0.245 4.095 4.340 0.001 0.000 0.222 380 L C 2.517 179.297 176.870 -0.150 0.000 1.078 380 L CA 1.987 56.660 54.840 -0.279 0.000 0.778 380 L CB -0.864 40.822 42.059 -0.621 0.000 0.893 380 L HN 0.408 nan 8.230 nan 0.000 0.436 381 F N -0.177 119.831 119.950 0.097 0.000 2.373 381 F HA -0.145 4.382 4.527 0.001 0.000 0.300 381 F C 2.351 178.166 175.800 0.026 0.000 1.080 381 F CA 1.020 59.081 58.000 0.101 0.000 1.417 381 F CB -0.381 38.704 39.000 0.142 0.000 1.070 381 F HN 0.019 nan 8.300 nan 0.000 0.546 382 R N -0.060 120.518 120.500 0.131 0.000 2.334 382 R HA 0.205 4.546 4.340 0.001 0.000 0.220 382 R C 1.443 177.760 176.300 0.028 0.000 0.917 382 R CA 0.587 56.725 56.100 0.063 0.000 1.073 382 R CB -0.230 30.094 30.300 0.040 0.000 1.056 382 R HN 0.293 nan 8.270 nan 0.000 0.506 383 G N 2.090 110.902 108.800 0.020 0.000 2.225 383 G HA2 -0.308 3.653 3.960 0.001 0.000 0.267 383 G HA3 -0.308 3.653 3.960 0.001 0.000 0.267 383 G C 0.424 175.320 174.900 -0.007 0.000 1.024 383 G CA 0.681 45.782 45.100 0.001 0.000 0.784 383 G HN 0.480 nan 8.290 nan 0.000 0.507 384 E N -1.691 118.502 120.200 -0.010 0.000 2.389 384 E HA 0.359 4.709 4.350 0.001 0.000 0.199 384 E C 0.696 177.286 176.600 -0.016 0.000 0.978 384 E CA 0.008 56.404 56.400 -0.008 0.000 0.912 384 E CB 0.702 30.402 29.700 -0.000 0.000 0.907 384 E HN 0.427 nan 8.360 nan 0.000 0.494 385 L N 0.822 122.021 121.223 -0.039 0.000 2.381 385 L HA 0.369 4.710 4.340 0.001 0.000 0.268 385 L C -0.879 175.934 176.870 -0.096 0.000 0.997 385 L CA -0.726 54.084 54.840 -0.050 0.000 0.818 385 L CB 2.075 44.107 42.059 -0.046 0.000 1.310 385 L HN -0.116 nan 8.230 nan 0.000 0.416 386 S N 2.792 118.450 115.700 -0.069 0.000 2.509 386 S HA 0.599 5.069 4.470 0.001 0.000 0.297 386 S C -2.234 172.313 174.600 -0.088 0.000 1.118 386 S CA -1.342 56.806 58.200 -0.087 0.000 1.074 386 S CB 1.422 64.603 63.200 -0.031 0.000 1.038 386 S HN 0.584 nan 8.310 nan 0.000 0.498 387 P HA -0.107 nan 4.420 nan 0.000 0.222 387 P C 0.609 177.991 177.300 0.137 0.000 1.142 387 P CA 1.137 64.184 63.100 -0.088 0.000 0.788 387 P CB 0.071 31.662 31.700 -0.183 0.000 0.767 388 E N -0.952 119.312 120.200 0.106 0.000 2.122 388 E HA -0.075 4.276 4.350 0.001 0.000 0.190 388 E C 1.173 177.900 176.600 0.211 0.000 0.977 388 E CA 0.875 57.393 56.400 0.198 0.000 0.820 388 E CB -0.673 29.091 29.700 0.106 0.000 0.770 388 E HN 0.281 nan 8.360 nan 0.000 0.462 389 D N 0.073 120.546 120.400 0.123 0.000 2.319 389 D HA 0.010 4.650 4.640 0.001 0.000 0.230 389 D C 1.245 177.606 176.300 0.102 0.000 1.094 389 D CA 0.024 54.081 54.000 0.095 0.000 0.856 389 D CB 0.353 41.187 40.800 0.057 0.000 0.915 389 D HN 0.069 nan 8.370 nan 0.000 0.517 390 L N 1.248 122.559 121.223 0.147 0.000 2.017 390 L HA -0.047 4.293 4.340 0.001 0.000 0.208 390 L C -0.735 176.203 176.870 0.115 0.000 1.073 390 L CA 1.893 56.839 54.840 0.176 0.000 0.745 390 L CB -1.110 41.124 42.059 0.292 0.000 0.894 390 L HN -0.026 nan 8.230 nan 0.000 0.432 391 P HA -0.154 nan 4.420 nan 0.000 0.216 391 P C 1.093 178.384 177.300 -0.016 0.000 1.150 391 P CA 1.296 64.280 63.100 -0.195 0.000 0.837 391 P CB 0.130 31.623 31.700 -0.344 0.000 0.786 392 E N -0.397 119.819 120.200 0.026 0.000 2.051 392 E HA -0.031 4.320 4.350 0.001 0.000 0.189 392 E C 2.170 178.823 176.600 0.089 0.000 0.979 392 E CA 1.209 57.635 56.400 0.043 0.000 0.803 392 E CB -1.233 28.488 29.700 0.036 0.000 0.761 392 E HN 0.083 nan 8.360 nan 0.000 0.451 393 A N 1.497 124.384 122.820 0.111 0.000 1.940 393 A HA -0.198 4.123 4.320 0.001 0.000 0.219 393 A C 1.926 179.608 177.584 0.163 0.000 1.176 393 A CA 1.300 53.407 52.037 0.117 0.000 0.631 393 A CB -0.977 18.093 19.000 0.115 0.000 0.814 393 A HN 0.523 nan 8.150 nan 0.000 0.446 394 W N 0.736 122.051 121.300 0.025 0.000 2.353 394 W HA -0.178 4.482 4.660 0.001 0.000 0.319 394 W C 2.348 178.881 176.519 0.024 0.000 1.207 394 W CA 2.268 59.636 57.345 0.038 0.000 1.291 394 W CB -0.700 28.751 29.460 -0.015 0.000 1.159 394 W HN 0.405 nan 8.180 nan 0.000 0.478 395 A N 0.314 123.319 122.820 0.308 0.000 2.019 395 A HA -0.258 4.062 4.320 0.001 0.000 0.219 395 A C 1.955 179.598 177.584 0.098 0.000 1.164 395 A CA 2.006 54.144 52.037 0.169 0.000 0.644 395 A CB -0.975 18.067 19.000 0.071 0.000 0.805 395 A HN 0.560 nan 8.150 nan 0.000 0.449 396 E N 0.030 120.276 120.200 0.076 0.000 2.051 396 E HA -0.193 4.157 4.350 0.001 0.000 0.192 396 E C 1.874 178.489 176.600 0.024 0.000 0.991 396 E CA 1.463 57.889 56.400 0.043 0.000 0.799 396 E CB -0.078 29.647 29.700 0.040 0.000 0.748 396 E HN 0.631 nan 8.360 nan 0.000 0.449 397 K N -0.752 119.638 120.400 -0.016 0.000 2.167 397 K HA -0.097 4.223 4.320 0.001 0.000 0.203 397 K C 1.934 178.431 176.600 -0.171 0.000 1.052 397 K CA 0.736 56.959 56.287 -0.106 0.000 0.956 397 K CB -0.094 32.241 32.500 -0.274 0.000 0.735 397 K HN 0.187 nan 8.250 nan 0.000 0.451 398 Y N 1.442 121.562 120.300 -0.300 0.000 2.352 398 Y HA -0.120 4.431 4.550 0.001 0.000 0.292 398 Y C 2.481 178.290 175.900 -0.151 0.000 1.136 398 Y CA 1.162 59.085 58.100 -0.295 0.000 1.227 398 Y CB -0.002 38.302 38.460 -0.259 0.000 0.991 398 Y HN -0.017 nan 8.280 nan 0.000 0.545 399 R N -0.019 120.508 120.500 0.045 0.000 2.055 399 R HA -0.131 4.209 4.340 0.001 0.000 0.226 399 R C 1.949 178.246 176.300 -0.005 0.000 1.135 399 R CA 1.735 57.846 56.100 0.019 0.000 0.959 399 R CB -0.348 29.966 30.300 0.023 0.000 0.854 399 R HN 0.290 nan 8.270 nan 0.000 0.431 400 D N -0.662 119.749 120.400 0.019 0.000 2.117 400 D HA -0.170 4.470 4.640 0.001 0.000 0.197 400 D C 1.557 177.846 176.300 -0.018 0.000 0.987 400 D CA 1.569 55.579 54.000 0.017 0.000 0.829 400 D CB 0.097 40.934 40.800 0.060 0.000 0.961 400 D HN 0.334 nan 8.370 nan 0.000 0.460 401 H N -0.879 118.071 119.070 -0.199 0.000 2.317 401 H HA 0.237 4.793 4.556 0.001 0.000 0.304 401 H C 1.603 176.770 175.328 -0.268 0.000 1.067 401 H CA 1.059 56.955 56.048 -0.254 0.000 1.352 401 H CB -0.011 29.529 29.762 -0.370 0.000 1.398 401 H HN 0.152 nan 8.280 nan 0.000 0.510 402 L N -1.294 119.826 121.223 -0.172 0.000 2.664 402 L HA 0.274 4.615 4.340 0.001 0.000 0.233 402 L C 0.867 177.668 176.870 -0.115 0.000 1.113 402 L CA 0.335 55.055 54.840 -0.200 0.000 0.896 402 L CB 0.550 42.407 42.059 -0.336 0.000 1.163 402 L HN 0.463 nan 8.230 nan 0.000 0.497 403 G N 1.486 110.239 108.800 -0.078 0.000 2.295 403 G HA2 -0.229 3.732 3.960 0.001 0.000 0.287 403 G HA3 -0.229 3.732 3.960 0.001 0.000 0.287 403 G C -0.275 174.610 174.900 -0.026 0.000 1.055 403 G CA 0.541 45.612 45.100 -0.048 0.000 0.922 403 G HN 0.247 nan 8.290 nan 0.000 0.503 404 V N -1.392 118.522 119.914 0.001 0.000 2.809 404 V HA 0.764 4.884 4.120 0.001 0.000 0.290 404 V C -0.269 175.875 176.094 0.084 0.000 1.305 404 V CA 0.266 62.582 62.300 0.028 0.000 0.939 404 V CB 1.421 33.259 31.823 0.025 0.000 1.081 404 V HN 1.876 nan 8.190 nan 0.000 0.439 405 A N 8.380 131.231 122.820 0.051 0.000 2.337 405 A HA 1.075 5.395 4.320 0.001 0.000 0.331 405 A C -2.784 174.794 177.584 -0.011 0.000 1.137 405 A CA -1.708 50.358 52.037 0.048 0.000 0.807 405 A CB 1.687 20.705 19.000 0.030 0.000 1.250 405 A HN 0.719 nan 8.150 nan 0.000 0.468 406 P HA 0.293 nan 4.420 nan 0.000 0.275 406 P C -0.553 176.667 177.300 -0.134 0.000 1.228 406 P CA -0.070 62.963 63.100 -0.111 0.000 0.786 406 P CB 1.216 32.811 31.700 -0.175 0.000 0.927 407 K N 0.565 120.882 120.400 -0.139 0.000 2.358 407 K HA 0.098 4.418 4.320 0.001 0.000 0.197 407 K C 0.207 176.677 176.600 -0.217 0.000 1.025 407 K CA 0.192 56.389 56.287 -0.150 0.000 1.104 407 K CB 0.290 32.729 32.500 -0.102 0.000 0.855 407 K HN 0.625 nan 8.250 nan 0.000 0.531 408 D N -3.194 117.044 120.400 -0.268 0.000 2.812 408 D HA 0.042 4.682 4.640 0.001 0.000 0.318 408 D C 0.182 176.219 176.300 -0.438 0.000 1.234 408 D CA -0.648 53.140 54.000 -0.353 0.000 0.989 408 D CB -0.066 40.628 40.800 -0.177 0.000 1.442 408 D HN -0.219 nan 8.370 nan 0.000 0.537 409 Y N -0.418 119.790 120.300 -0.154 0.000 2.389 409 Y HA 0.237 4.787 4.550 0.001 0.000 0.292 409 Y C 2.404 178.199 175.900 -0.176 0.000 1.117 409 Y CA 0.591 58.572 58.100 -0.198 0.000 1.195 409 Y CB -0.201 38.215 38.460 -0.074 0.000 1.076 409 Y HN 0.399 nan 8.280 nan 0.000 0.548 410 K N 0.543 120.957 120.400 0.024 0.000 2.015 410 K HA -0.214 4.107 4.320 0.001 0.000 0.216 410 K C 0.164 176.721 176.600 -0.073 0.000 1.052 410 K CA 2.302 58.563 56.287 -0.043 0.000 0.937 410 K CB -0.264 32.201 32.500 -0.058 0.000 0.719 410 K HN 0.193 nan 8.250 nan 0.000 0.446 411 D N -0.143 120.200 120.400 -0.094 0.000 2.491 411 D HA 0.148 4.789 4.640 0.001 0.000 0.228 411 D C 0.389 176.602 176.300 -0.145 0.000 1.183 411 D CA 0.166 54.113 54.000 -0.088 0.000 0.827 411 D CB 0.948 41.709 40.800 -0.065 0.000 0.989 411 D HN 0.425 nan 8.370 nan 0.000 0.494 412 G N -0.306 108.339 108.800 -0.258 0.000 3.356 412 G HA2 0.085 4.045 3.960 0.001 0.000 0.178 412 G HA3 0.085 4.045 3.960 0.001 0.000 0.178 412 G C 0.910 175.195 174.900 -1.026 0.000 1.175 412 G CA -0.115 44.681 45.100 -0.507 0.000 0.840 412 G HN 0.041 nan 8.290 nan 0.000 0.658 413 V N 0.578 119.505 119.914 -1.645 0.000 2.794 413 V HA -0.078 4.042 4.120 0.001 0.000 0.260 413 V C 2.255 177.892 176.094 -0.762 0.000 1.103 413 V CA 2.145 63.296 62.300 -1.914 0.000 1.125 413 V CB -0.460 30.744 31.823 -1.031 0.000 0.702 413 V HN 0.488 nan 8.190 nan 0.000 0.494 414 M N -0.534 118.872 119.600 -0.323 0.000 2.431 414 M HA 0.051 4.531 4.480 0.001 0.000 0.237 414 M C 1.898 178.297 176.300 0.164 0.000 1.130 414 M CA 0.471 55.805 55.300 0.057 0.000 1.002 414 M CB 0.253 32.944 32.600 0.152 0.000 1.524 414 M HN 0.570 nan 8.290 nan 0.000 0.482 415 Q N 0.304 120.089 119.800 -0.025 0.000 2.170 415 Q HA -0.056 4.284 4.340 0.001 0.000 0.203 415 Q C -0.237 175.895 176.000 0.219 0.000 0.976 415 Q CA 0.977 56.840 55.803 0.101 0.000 0.858 415 Q CB 0.010 28.769 28.738 0.035 0.000 0.907 415 Q HN 0.326 nan 8.270 nan 0.000 0.433 416 D N 0.417 120.860 120.400 0.072 0.000 2.228 416 D HA 0.103 4.743 4.640 0.001 0.000 0.247 416 D C 0.337 176.419 176.300 -0.362 0.000 0.995 416 D CA -0.302 53.716 54.000 0.029 0.000 0.903 416 D CB 2.468 43.309 40.800 0.069 0.000 1.205 416 D HN -0.027 nan 8.370 nan 0.000 0.459 417 V N 2.544 122.111 119.914 -0.579 0.000 2.649 417 V HA -0.166 3.954 4.120 0.001 0.000 0.248 417 V C 1.871 177.610 176.094 -0.591 0.000 1.054 417 V CA 1.340 62.918 62.300 -1.202 0.000 1.073 417 V CB -0.573 30.667 31.823 -0.972 0.000 0.699 417 V HN 0.551 nan 8.190 nan 0.000 0.463 418 H N -0.861 117.908 119.070 -0.501 0.000 2.294 418 H HA -0.318 4.238 4.556 0.001 0.000 0.282 418 H C 2.117 177.275 175.328 -0.283 0.000 1.128 418 H CA 2.704 58.454 56.048 -0.498 0.000 1.161 418 H CB -0.657 28.632 29.762 -0.789 0.000 1.354 418 H HN 0.542 nan 8.280 nan 0.000 0.474 419 W N 0.328 121.519 121.300 -0.182 0.000 2.363 419 W HA 0.018 4.678 4.660 0.001 0.000 0.296 419 W C 2.971 179.486 176.519 -0.006 0.000 1.212 419 W CA 0.746 57.942 57.345 -0.248 0.000 1.260 419 W CB -1.094 28.352 29.460 -0.024 0.000 1.131 419 W HN 0.242 nan 8.180 nan 0.000 0.530 420 A N 0.382 123.345 122.820 0.239 0.000 1.933 420 A HA -0.023 4.297 4.320 0.001 0.000 0.218 420 A C 2.297 179.959 177.584 0.130 0.000 1.175 420 A CA 1.903 54.094 52.037 0.257 0.000 0.628 420 A CB -1.253 17.888 19.000 0.235 0.000 0.814 420 A HN 0.239 nan 8.150 nan 0.000 0.444 421 G N -1.746 107.049 108.800 -0.008 0.000 3.026 421 G HA2 0.360 4.320 3.960 0.001 0.000 0.208 421 G HA3 0.360 4.320 3.960 0.001 0.000 0.208 421 G C 1.113 176.035 174.900 0.036 0.000 1.169 421 G CA 0.498 45.575 45.100 -0.037 0.000 0.788 421 G HN 1.611 nan 8.290 nan 0.000 0.533 422 G N -0.066 108.823 108.800 0.149 0.000 2.198 422 G HA2 -0.267 3.694 3.960 0.001 0.000 0.260 422 G HA3 -0.267 3.694 3.960 0.001 0.000 0.260 422 G C 0.338 175.405 174.900 0.278 0.000 1.025 422 G CA 0.145 45.428 45.100 0.306 0.000 0.769 422 G HN 0.516 nan 8.290 nan 0.000 0.507 423 L N 0.281 121.521 121.223 0.029 0.000 2.358 423 L HA 0.551 4.891 4.340 0.001 0.000 0.274 423 L C -0.026 176.861 176.870 0.029 0.000 1.136 423 L CA -0.504 54.327 54.840 -0.015 0.000 0.970 423 L CB -0.037 41.746 42.059 -0.461 0.000 1.314 423 L HN 0.068 nan 8.230 nan 0.000 0.427 424 F N 0.277 120.465 119.950 0.396 0.000 2.480 424 F HA 0.576 5.103 4.527 0.001 0.000 0.329 424 F C 1.214 177.212 175.800 0.330 0.000 1.091 424 F CA -0.320 57.958 58.000 0.464 0.000 0.972 424 F CB 2.054 41.362 39.000 0.513 0.000 1.150 424 F HN 0.508 nan 8.300 nan 0.000 0.467 425 G N 1.674 110.780 108.800 0.510 0.000 2.143 425 G HA2 -0.384 3.577 3.960 0.001 0.000 0.248 425 G HA3 -0.384 3.577 3.960 0.001 0.000 0.248 425 G C 0.190 175.302 174.900 0.352 0.000 0.991 425 G CA 0.777 45.973 45.100 0.159 0.000 0.689 425 G HN 0.770 nan 8.290 nan 0.000 0.522 426 Y N -0.587 119.793 120.300 0.133 0.000 2.382 426 Y HA 0.382 4.933 4.550 0.001 0.000 0.292 426 Y C 2.484 178.374 175.900 -0.017 0.000 1.151 426 Y CA 1.202 59.135 58.100 -0.279 0.000 1.198 426 Y CB -0.087 37.996 38.460 -0.627 0.000 1.195 426 Y HN 0.106 nan 8.280 nan 0.000 0.530 427 F N 1.253 121.489 119.950 0.477 0.000 2.085 427 F HA -0.204 4.324 4.527 0.001 0.000 0.299 427 F C -0.624 175.405 175.800 0.383 0.000 1.096 427 F CA 1.848 60.140 58.000 0.486 0.000 1.227 427 F CB -2.253 36.959 39.000 0.353 0.000 0.983 427 F HN 0.136 nan 8.300 nan 0.000 0.482 428 P HA -0.195 nan 4.420 nan 0.000 0.217 428 P C 1.708 179.202 177.300 0.323 0.000 1.148 428 P CA 2.716 66.110 63.100 0.490 0.000 0.834 428 P CB -0.523 31.438 31.700 0.435 0.000 0.783 429 T N -4.340 110.289 114.554 0.125 0.000 2.803 429 T HA -0.258 4.092 4.350 0.001 0.000 0.269 429 T C 1.580 176.272 174.700 -0.013 0.000 1.052 429 T CA 1.218 63.296 62.100 -0.036 0.000 1.136 429 T CB -1.528 67.188 68.868 -0.254 0.000 0.864 429 T HN 0.046 nan 8.240 nan 0.000 0.467 430 Y N 2.224 122.609 120.300 0.143 0.000 2.128 430 Y HA -0.104 4.446 4.550 0.001 0.000 0.284 430 Y C 3.174 179.139 175.900 0.109 0.000 1.154 430 Y CA 1.693 59.914 58.100 0.202 0.000 1.149 430 Y CB -1.137 37.551 38.460 0.380 0.000 0.976 430 Y HN 0.251 nan 8.280 nan 0.000 0.505 431 T N 0.144 114.827 114.554 0.216 0.000 2.857 431 T HA -0.086 4.264 4.350 0.001 0.000 0.266 431 T C 2.085 176.687 174.700 -0.163 0.000 1.048 431 T CA 0.877 62.953 62.100 -0.041 0.000 1.139 431 T CB -0.469 68.233 68.868 -0.276 0.000 0.874 431 T HN 0.205 nan 8.240 nan 0.000 0.455 432 L N 0.797 121.946 121.223 -0.123 0.000 2.079 432 L HA -0.060 4.280 4.340 0.001 0.000 0.210 432 L C 2.931 179.353 176.870 -0.746 0.000 1.081 432 L CA 1.327 55.875 54.840 -0.487 0.000 0.752 432 L CB -0.884 40.883 42.059 -0.486 0.000 0.896 432 L HN 0.357 nan 8.230 nan 0.000 0.433 433 G N -0.339 108.270 108.800 -0.318 0.000 2.422 433 G HA2 -0.278 3.683 3.960 0.001 0.000 0.218 433 G HA3 -0.278 3.683 3.960 0.001 0.000 0.218 433 G C 1.327 176.169 174.900 -0.096 0.000 1.146 433 G CA 1.099 46.132 45.100 -0.111 0.000 0.769 433 G HN 0.431 nan 8.290 nan 0.000 0.547 434 N N -0.146 118.443 118.700 -0.185 0.000 2.171 434 N HA 0.053 4.794 4.740 0.001 0.000 0.184 434 N C 2.220 177.492 175.510 -0.397 0.000 1.021 434 N CA 0.533 53.407 53.050 -0.292 0.000 0.854 434 N CB -0.117 38.068 38.487 -0.503 0.000 0.994 434 N HN 0.216 nan 8.380 nan 0.000 0.426 435 L N -0.123 120.833 121.223 -0.445 0.000 2.017 435 L HA -0.182 4.159 4.340 0.001 0.000 0.208 435 L C 1.836 178.697 176.870 -0.015 0.000 1.073 435 L CA 1.093 55.786 54.840 -0.245 0.000 0.745 435 L CB -0.717 41.242 42.059 -0.166 0.000 0.894 435 L HN 0.273 nan 8.230 nan 0.000 0.432 436 Y N 0.412 120.639 120.300 -0.123 0.000 2.165 436 Y HA -0.203 4.347 4.550 0.001 0.000 0.286 436 Y C 2.756 178.527 175.900 -0.215 0.000 1.155 436 Y CA 0.574 58.504 58.100 -0.283 0.000 1.164 436 Y CB -1.376 36.955 38.460 -0.214 0.000 0.978 436 Y HN 0.125 nan 8.280 nan 0.000 0.513 437 A N 0.293 123.233 122.820 0.199 0.000 1.865 437 A HA -0.180 4.140 4.320 0.001 0.000 0.217 437 A C 2.576 180.306 177.584 0.243 0.000 1.191 437 A CA 2.494 54.702 52.037 0.285 0.000 0.623 437 A CB -1.279 17.818 19.000 0.161 0.000 0.826 437 A HN 0.395 nan 8.150 nan 0.000 0.444 438 A N -1.191 121.723 122.820 0.157 0.000 1.902 438 A HA -0.221 4.099 4.320 0.001 0.000 0.217 438 A C 2.193 179.908 177.584 0.219 0.000 1.181 438 A CA 1.894 54.032 52.037 0.167 0.000 0.623 438 A CB -0.578 18.611 19.000 0.316 0.000 0.818 438 A HN 0.670 nan 8.150 nan 0.000 0.443 439 Q N -1.722 118.167 119.800 0.148 0.000 2.124 439 Q HA -0.154 4.186 4.340 0.001 0.000 0.202 439 Q C 1.676 177.788 176.000 0.186 0.000 0.977 439 Q CA 1.645 57.507 55.803 0.099 0.000 0.850 439 Q CB -0.194 28.527 28.738 -0.028 0.000 0.901 439 Q HN 0.617 nan 8.270 nan 0.000 0.429 440 F N -0.694 119.421 119.950 0.274 0.000 2.146 440 F HA -0.131 4.396 4.527 0.001 0.000 0.298 440 F C 1.917 177.887 175.800 0.283 0.000 1.096 440 F CA 0.717 58.935 58.000 0.362 0.000 1.275 440 F CB -0.860 38.389 39.000 0.414 0.000 1.008 440 F HN 0.129 nan 8.300 nan 0.000 0.480 441 F N 0.955 121.084 119.950 0.298 0.000 2.161 441 F HA -0.260 4.268 4.527 0.001 0.000 0.300 441 F C 2.655 178.421 175.800 -0.057 0.000 1.089 441 F CA 1.952 59.988 58.000 0.060 0.000 1.282 441 F CB -0.605 38.367 39.000 -0.047 0.000 1.010 441 F HN 0.039 nan 8.300 nan 0.000 0.485 442 Q N 0.088 119.976 119.800 0.148 0.000 2.050 442 Q HA -0.286 4.054 4.340 0.001 0.000 0.202 442 Q C 2.235 178.200 176.000 -0.058 0.000 0.980 442 Q CA 1.893 57.724 55.803 0.047 0.000 0.840 442 Q CB -0.175 28.634 28.738 0.118 0.000 0.898 442 Q HN 0.223 nan 8.270 nan 0.000 0.424 443 K N 0.295 120.706 120.400 0.019 0.000 2.057 443 K HA -0.073 4.248 4.320 0.001 0.000 0.207 443 K C 1.769 178.239 176.600 -0.217 0.000 1.049 443 K CA 1.410 57.720 56.287 0.038 0.000 0.931 443 K CB -0.523 32.150 32.500 0.288 0.000 0.714 443 K HN 0.310 nan 8.250 nan 0.000 0.440 444 A N 1.015 123.436 122.820 -0.665 0.000 1.883 444 A HA -0.201 4.119 4.320 0.001 0.000 0.217 444 A C 2.010 179.133 177.584 -0.768 0.000 1.186 444 A CA 1.893 53.141 52.037 -1.315 0.000 0.624 444 A CB -0.564 17.544 19.000 -1.487 0.000 0.822 444 A HN 0.469 nan 8.150 nan 0.000 0.444 445 E N -0.429 119.371 120.200 -0.666 0.000 2.077 445 E HA -0.129 4.222 4.350 0.001 0.000 0.193 445 E C 2.310 178.732 176.600 -0.298 0.000 0.989 445 E CA 0.959 57.057 56.400 -0.504 0.000 0.800 445 E CB -0.288 29.136 29.700 -0.460 0.000 0.746 445 E HN 0.614 nan 8.360 nan 0.000 0.452 446 A N 1.341 124.030 122.820 -0.219 0.000 2.019 446 A HA -0.203 4.118 4.320 0.001 0.000 0.219 446 A C 1.808 179.335 177.584 -0.094 0.000 1.164 446 A CA 1.329 53.297 52.037 -0.116 0.000 0.644 446 A CB -0.200 18.767 19.000 -0.055 0.000 0.805 446 A HN 0.183 nan 8.150 nan 0.000 0.449 447 E N -0.849 119.280 120.200 -0.118 0.000 2.307 447 E HA 0.160 4.510 4.350 0.001 0.000 0.195 447 E C 1.447 178.000 176.600 -0.080 0.000 0.975 447 E CA 0.267 56.640 56.400 -0.045 0.000 0.878 447 E CB 0.034 29.782 29.700 0.079 0.000 0.845 447 E HN 0.565 nan 8.360 nan 0.000 0.488 448 L N 0.028 121.139 121.223 -0.186 0.000 2.554 448 L HA 0.248 4.588 4.340 0.001 0.000 0.225 448 L C 0.825 177.595 176.870 -0.167 0.000 1.104 448 L CA 0.160 54.900 54.840 -0.166 0.000 0.866 448 L CB 0.289 42.206 42.059 -0.237 0.000 1.047 448 L HN 0.111 nan 8.230 nan 0.000 0.468 449 G N 0.384 109.073 108.800 -0.185 0.000 2.690 449 G HA2 -0.134 3.827 3.960 0.001 0.000 0.686 449 G HA3 -0.134 3.827 3.960 0.001 0.000 0.686 449 G C -2.773 171.989 174.900 -0.231 0.000 1.277 449 G CA -1.335 43.664 45.100 -0.167 0.000 0.799 449 G HN -0.106 nan 8.290 nan 0.000 0.613 450 P HA 0.117 nan 4.420 nan 0.000 0.263 450 P C 1.192 178.295 177.300 -0.328 0.000 1.168 450 P CA 0.201 63.164 63.100 -0.228 0.000 0.759 450 P CB 0.290 31.899 31.700 -0.151 0.000 0.782 451 L N 2.068 123.018 121.223 -0.455 0.000 2.416 451 L HA -0.018 4.323 4.340 0.001 0.000 0.216 451 L C 2.290 178.685 176.870 -0.793 0.000 1.098 451 L CA 0.490 54.866 54.840 -0.772 0.000 0.840 451 L CB -0.457 40.919 42.059 -1.139 0.000 0.981 451 L HN 0.461 nan 8.230 nan 0.000 0.462 452 E N 1.696 121.678 120.200 -0.365 0.000 2.065 452 E HA -0.246 4.104 4.350 0.001 0.000 0.201 452 E C -0.595 175.931 176.600 -0.125 0.000 1.016 452 E CA 2.093 58.421 56.400 -0.121 0.000 0.818 452 E CB -1.088 28.600 29.700 -0.019 0.000 0.749 452 E HN 0.275 nan 8.360 nan 0.000 0.453 453 P HA -0.125 nan 4.420 nan 0.000 0.216 453 P C 1.302 178.512 177.300 -0.150 0.000 1.150 453 P CA 1.427 64.454 63.100 -0.122 0.000 0.837 453 P CB -0.111 31.518 31.700 -0.119 0.000 0.786 454 R N -1.344 119.007 120.500 -0.249 0.000 2.066 454 R HA -0.017 4.323 4.340 0.001 0.000 0.232 454 R C 2.201 178.380 176.300 -0.202 0.000 1.131 454 R CA 1.191 57.143 56.100 -0.247 0.000 0.955 454 R CB -1.714 28.390 30.300 -0.328 0.000 0.851 454 R HN 0.240 nan 8.270 nan 0.000 0.432 455 F N 1.398 121.206 119.950 -0.237 0.000 2.126 455 F HA -0.070 4.458 4.527 0.001 0.000 0.299 455 F C 2.554 178.169 175.800 -0.308 0.000 1.096 455 F CA 0.608 58.407 58.000 -0.336 0.000 1.255 455 F CB -1.348 37.688 39.000 0.060 0.000 0.997 455 F HN 0.068 nan 8.300 nan 0.000 0.479 456 A N -0.069 122.759 122.820 0.014 0.000 2.024 456 A HA -0.194 4.126 4.320 0.001 0.000 0.220 456 A C 2.238 179.734 177.584 -0.147 0.000 1.164 456 A CA 1.485 53.488 52.037 -0.058 0.000 0.643 456 A CB -0.639 18.346 19.000 -0.025 0.000 0.806 456 A HN 0.375 nan 8.150 nan 0.000 0.451 457 R N -1.832 118.572 120.500 -0.161 0.000 2.317 457 R HA 0.238 4.579 4.340 0.001 0.000 0.208 457 R C 1.158 177.336 176.300 -0.204 0.000 0.914 457 R CA 0.508 56.515 56.100 -0.156 0.000 1.060 457 R CB 0.083 30.316 30.300 -0.112 0.000 1.015 457 R HN 0.667 nan 8.270 nan 0.000 0.498 458 G N 1.662 110.257 108.800 -0.341 0.000 2.136 458 G HA2 -0.280 3.681 3.960 0.001 0.000 0.242 458 G HA3 -0.280 3.681 3.960 0.001 0.000 0.242 458 G C -0.290 174.410 174.900 -0.333 0.000 0.989 458 G CA -0.222 44.674 45.100 -0.340 0.000 0.682 458 G HN 0.395 nan 8.290 nan 0.000 0.522 459 E N 0.010 119.987 120.200 -0.371 0.000 1.861 459 E HA 0.460 4.811 4.350 0.001 0.000 0.263 459 E C 0.334 176.889 176.600 -0.075 0.000 1.137 459 E CA -0.525 55.793 56.400 -0.137 0.000 0.944 459 E CB -0.017 29.636 29.700 -0.080 0.000 1.092 459 E HN 0.408 nan 8.360 nan 0.000 0.420 460 F N 0.508 120.697 119.950 0.398 0.000 2.717 460 F HA 0.039 4.566 4.527 0.001 0.000 0.297 460 F C 2.304 178.408 175.800 0.507 0.000 1.113 460 F CA -0.112 58.231 58.000 0.572 0.000 1.319 460 F CB 0.287 39.655 39.000 0.613 0.000 1.097 460 F HN 0.279 nan 8.300 nan 0.000 0.595 461 Q N 1.557 121.648 119.800 0.485 0.000 2.096 461 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 461 Q C -0.820 175.372 176.000 0.320 0.000 0.982 461 Q CA 2.074 58.089 55.803 0.354 0.000 0.850 461 Q CB -1.428 27.450 28.738 0.234 0.000 0.901 461 Q HN 0.149 nan 8.270 nan 0.000 0.422 462 P HA -0.121 nan 4.420 nan 0.000 0.216 462 P C 0.847 178.345 177.300 0.329 0.000 1.153 462 P CA 1.008 64.253 63.100 0.242 0.000 0.848 462 P CB -0.224 31.573 31.700 0.161 0.000 0.787 463 F N 0.141 120.246 119.950 0.258 0.000 2.186 463 F HA -0.108 4.419 4.527 0.001 0.000 0.299 463 F C 1.896 177.941 175.800 0.408 0.000 1.090 463 F CA 0.919 59.078 58.000 0.265 0.000 1.307 463 F CB -1.021 38.147 39.000 0.280 0.000 1.019 463 F HN -0.241 nan 8.300 nan 0.000 0.489 464 L N 0.847 122.316 121.223 0.410 0.000 2.017 464 L HA -0.205 4.135 4.340 0.001 0.000 0.208 464 L C 1.928 178.862 176.870 0.107 0.000 1.073 464 L CA 2.126 57.150 54.840 0.306 0.000 0.745 464 L CB -1.239 41.058 42.059 0.397 0.000 0.894 464 L HN 0.027 nan 8.230 nan 0.000 0.432 465 D N -1.464 119.025 120.400 0.148 0.000 2.182 465 D HA -0.259 4.382 4.640 0.001 0.000 0.201 465 D C 1.770 178.085 176.300 0.025 0.000 0.986 465 D CA 1.339 55.389 54.000 0.082 0.000 0.847 465 D CB -0.373 40.495 40.800 0.112 0.000 0.942 465 D HN 0.602 nan 8.370 nan 0.000 0.467 466 W N 1.593 122.812 121.300 -0.136 0.000 2.379 466 W HA -0.202 4.458 4.660 0.001 0.000 0.307 466 W C 2.441 178.756 176.519 -0.340 0.000 1.200 466 W CA 2.689 59.922 57.345 -0.187 0.000 1.297 466 W CB -0.472 28.910 29.460 -0.131 0.000 1.140 466 W HN 0.006 nan 8.180 nan 0.000 0.507 467 T N -1.033 113.366 114.554 -0.258 0.000 2.833 467 T HA -0.152 4.199 4.350 0.001 0.000 0.269 467 T C 1.876 176.011 174.700 -0.941 0.000 1.054 467 T CA 1.083 62.809 62.100 -0.623 0.000 1.135 467 T CB -0.401 68.125 68.868 -0.570 0.000 0.869 467 T HN 0.058 nan 8.240 nan 0.000 0.466 468 R N 1.695 121.800 120.500 -0.658 0.000 2.066 468 R HA 0.232 4.572 4.340 0.001 0.000 0.232 468 R C 2.888 179.013 176.300 -0.291 0.000 1.131 468 R CA 1.486 57.332 56.100 -0.423 0.000 0.955 468 R CB -1.283 28.957 30.300 -0.100 0.000 0.851 468 R HN 0.581 nan 8.270 nan 0.000 0.432 469 A N 1.099 123.733 122.820 -0.309 0.000 2.066 469 A HA -0.051 4.270 4.320 0.001 0.000 0.218 469 A C 2.042 179.402 177.584 -0.373 0.000 1.157 469 A CA 0.845 52.720 52.037 -0.271 0.000 0.670 469 A CB -0.036 18.824 19.000 -0.233 0.000 0.804 469 A HN 0.071 nan 8.150 nan 0.000 0.453 470 R N -0.972 119.161 120.500 -0.612 0.000 2.146 470 R HA 0.326 4.666 4.340 0.001 0.000 0.206 470 R C 1.563 177.566 176.300 -0.495 0.000 1.049 470 R CA 1.008 56.710 56.100 -0.664 0.000 1.029 470 R CB -0.311 29.273 30.300 -1.194 0.000 0.949 470 R HN 0.592 nan 8.270 nan 0.000 0.471 471 I N -1.380 118.873 120.570 -0.528 0.000 3.393 471 I HA 0.028 4.198 4.170 0.001 0.000 0.250 471 I C 1.964 178.055 176.117 -0.044 0.000 1.122 471 I CA 0.107 61.193 61.300 -0.358 0.000 1.484 471 I CB -0.373 37.280 38.000 -0.578 0.000 1.468 471 I HN 0.092 nan 8.210 nan 0.000 0.461 472 H N 1.352 120.336 119.070 -0.143 0.000 2.352 472 H HA -0.106 4.451 4.556 0.001 0.000 0.299 472 H C 2.294 177.674 175.328 0.087 0.000 1.097 472 H CA 1.043 57.147 56.048 0.094 0.000 1.311 472 H CB -0.033 29.789 29.762 0.100 0.000 1.377 472 H HN 0.386 nan 8.280 nan 0.000 0.504 473 A N 1.327 124.223 122.820 0.126 0.000 2.019 473 A HA -0.148 4.173 4.320 0.001 0.000 0.219 473 A C 2.026 179.658 177.584 0.079 0.000 1.164 473 A CA 1.222 53.311 52.037 0.087 0.000 0.644 473 A CB -0.059 18.955 19.000 0.023 0.000 0.805 473 A HN 0.341 nan 8.150 nan 0.000 0.449 474 E N -0.434 119.814 120.200 0.080 0.000 2.347 474 E HA 0.122 4.472 4.350 0.001 0.000 0.196 474 E C 1.604 178.224 176.600 0.032 0.000 1.008 474 E CA 0.611 57.062 56.400 0.085 0.000 0.852 474 E CB -0.612 29.207 29.700 0.199 0.000 0.783 474 E HN 0.643 nan 8.360 nan 0.000 0.505 475 G N 1.445 110.291 108.800 0.076 0.000 2.611 475 G HA2 -0.350 3.611 3.960 0.001 0.000 0.301 475 G HA3 -0.350 3.611 3.960 0.001 0.000 0.301 475 G C 0.703 175.615 174.900 0.020 0.000 1.233 475 G CA 0.575 45.691 45.100 0.026 0.000 0.993 475 G HN 0.304 nan 8.290 nan 0.000 0.553 476 S N 0.492 116.152 115.700 -0.067 0.000 2.583 476 S HA 0.218 4.688 4.470 0.001 0.000 0.239 476 S C 1.783 176.296 174.600 -0.145 0.000 0.966 476 S CA 0.751 58.913 58.200 -0.064 0.000 0.973 476 S CB 0.450 63.599 63.200 -0.085 0.000 0.794 476 S HN 0.644 nan 8.310 nan 0.000 0.463 477 R N 0.872 121.233 120.500 -0.232 0.000 2.103 477 R HA -0.067 4.273 4.340 0.001 0.000 0.242 477 R C -0.634 175.296 176.300 -0.617 0.000 1.142 477 R CA 1.400 57.197 56.100 -0.505 0.000 0.960 477 R CB 0.068 29.963 30.300 -0.675 0.000 0.858 477 R HN 0.312 nan 8.270 nan 0.000 0.439 478 F N 0.696 120.623 119.950 -0.038 0.000 2.520 478 F HA 0.435 4.962 4.527 0.001 0.000 0.322 478 F C 0.128 175.924 175.800 -0.006 0.000 1.103 478 F CA -1.395 56.591 58.000 -0.024 0.000 0.926 478 F CB 1.194 40.180 39.000 -0.023 0.000 1.154 478 F HN -0.242 nan 8.300 nan 0.000 0.453 479 R N 2.487 123.097 120.500 0.183 0.000 2.734 479 R HA 0.116 4.456 4.340 0.001 0.000 0.266 479 R C -1.736 174.632 176.300 0.113 0.000 1.044 479 R CA -2.027 54.145 56.100 0.121 0.000 1.128 479 R CB -0.111 30.248 30.300 0.098 0.000 1.010 479 R HN 0.320 nan 8.270 nan 0.000 0.461 480 P HA -0.249 nan 4.420 nan 0.000 0.218 480 P C 1.244 178.487 177.300 -0.095 0.000 1.165 480 P CA 1.618 64.717 63.100 -0.001 0.000 0.922 480 P CB 0.019 31.772 31.700 0.089 0.000 0.794 481 R N -0.290 120.203 120.500 -0.013 0.000 2.103 481 R HA -0.145 4.195 4.340 0.001 0.000 0.242 481 R C 1.928 178.206 176.300 -0.037 0.000 1.142 481 R CA 1.807 57.895 56.100 -0.020 0.000 0.960 481 R CB -0.854 29.472 30.300 0.044 0.000 0.858 481 R HN 0.059 nan 8.270 nan 0.000 0.439 482 V N 1.046 120.961 119.914 0.001 0.000 2.358 482 V HA -0.219 3.901 4.120 0.001 0.000 0.246 482 V C 2.223 178.245 176.094 -0.120 0.000 1.047 482 V CA 1.392 63.679 62.300 -0.023 0.000 1.035 482 V CB -0.483 31.387 31.823 0.079 0.000 0.658 482 V HN 0.327 nan 8.190 nan 0.000 0.452 483 L N 0.148 121.338 121.223 -0.056 0.000 2.046 483 L HA -0.101 4.239 4.340 0.001 0.000 0.208 483 L C 2.353 179.194 176.870 -0.049 0.000 1.077 483 L CA 1.833 56.620 54.840 -0.087 0.000 0.747 483 L CB -0.491 41.609 42.059 0.069 0.000 0.896 483 L HN 0.123 nan 8.230 nan 0.000 0.432 484 V N -0.260 119.607 119.914 -0.078 0.000 2.407 484 V HA -0.294 3.827 4.120 0.001 0.000 0.248 484 V C 2.556 178.618 176.094 -0.054 0.000 1.055 484 V CA 2.023 64.254 62.300 -0.115 0.000 1.049 484 V CB -0.640 30.958 31.823 -0.374 0.000 0.662 484 V HN 0.615 nan 8.190 nan 0.000 0.455 485 E N -0.025 120.128 120.200 -0.078 0.000 2.216 485 E HA -0.170 4.180 4.350 0.001 0.000 0.192 485 E C 2.401 178.951 176.600 -0.084 0.000 0.988 485 E CA 0.518 56.881 56.400 -0.061 0.000 0.834 485 E CB -0.029 29.638 29.700 -0.056 0.000 0.772 485 E HN 0.478 nan 8.360 nan 0.000 0.479 486 R N -0.095 120.305 120.500 -0.167 0.000 2.090 486 R HA -0.060 4.281 4.340 0.001 0.000 0.228 486 R C 1.911 178.130 176.300 -0.135 0.000 1.110 486 R CA 1.182 57.142 56.100 -0.232 0.000 0.973 486 R CB 0.154 30.149 30.300 -0.508 0.000 0.869 486 R HN 0.114 nan 8.270 nan 0.000 0.440 487 V N -0.097 119.778 119.914 -0.065 0.000 2.535 487 V HA -0.112 4.009 4.120 0.001 0.000 0.246 487 V C 2.119 178.296 176.094 0.138 0.000 1.045 487 V CA 2.023 64.331 62.300 0.013 0.000 1.058 487 V CB 0.285 32.156 31.823 0.080 0.000 0.689 487 V HN 0.613 nan 8.190 nan 0.000 0.461 488 T N -3.691 110.948 114.554 0.142 0.000 3.001 488 T HA 0.371 4.721 4.350 0.001 0.000 0.251 488 T C 1.544 176.293 174.700 0.081 0.000 1.040 488 T CA 1.002 63.192 62.100 0.151 0.000 0.985 488 T CB 0.958 69.913 68.868 0.145 0.000 1.011 488 T HN 0.862 nan 8.240 nan 0.000 0.509 489 G N 0.871 109.695 108.800 0.039 0.000 2.175 489 G HA2 -0.160 3.800 3.960 0.001 0.000 0.244 489 G HA3 -0.160 3.800 3.960 0.001 0.000 0.244 489 G C -0.227 174.683 174.900 0.017 0.000 0.982 489 G CA 0.178 45.291 45.100 0.022 0.000 0.641 489 G HN 0.641 nan 8.290 nan 0.000 0.527 490 E N -0.479 119.732 120.200 0.018 0.000 2.408 490 E HA 0.699 5.049 4.350 0.001 0.000 0.275 490 E C 0.300 176.905 176.600 0.008 0.000 0.935 490 E CA -0.109 56.301 56.400 0.018 0.000 0.775 490 E CB 1.571 31.290 29.700 0.031 0.000 1.277 490 E HN 0.840 nan 8.360 nan 0.000 0.455 491 A N 1.846 124.675 122.820 0.015 0.000 2.406 491 A HA 0.429 4.749 4.320 0.001 0.000 0.243 491 A C -2.178 175.425 177.584 0.031 0.000 1.082 491 A CA -0.880 51.168 52.037 0.017 0.000 0.786 491 A CB -0.651 18.367 19.000 0.031 0.000 1.029 491 A HN 0.251 nan 8.150 nan 0.000 0.495 492 P HA 0.115 nan 4.420 nan 0.000 0.263 492 P C -0.269 177.098 177.300 0.111 0.000 1.175 492 P CA 0.733 63.894 63.100 0.102 0.000 0.761 492 P CB 0.657 32.482 31.700 0.208 0.000 0.794 493 S N 1.889 117.658 115.700 0.116 0.000 2.607 493 S HA 0.661 5.132 4.470 0.001 0.000 0.273 493 S C 0.430 175.113 174.600 0.138 0.000 1.148 493 S CA -0.106 58.164 58.200 0.116 0.000 0.833 493 S CB 1.232 64.489 63.200 0.094 0.000 1.130 493 S HN 0.250 nan 8.310 nan 0.000 0.470 494 A N 2.397 125.306 122.820 0.147 0.000 2.147 494 A HA 0.216 4.537 4.320 0.001 0.000 0.211 494 A C 1.995 179.704 177.584 0.209 0.000 1.160 494 A CA 0.056 52.205 52.037 0.185 0.000 0.781 494 A CB -0.284 18.821 19.000 0.176 0.000 0.842 494 A HN 0.742 nan 8.150 nan 0.000 0.475 495 R N 0.315 120.906 120.500 0.153 0.000 2.096 495 R HA -0.143 4.197 4.340 0.001 0.000 0.240 495 R C -0.677 175.717 176.300 0.157 0.000 1.139 495 R CA 1.914 58.093 56.100 0.131 0.000 0.952 495 R CB -2.154 28.204 30.300 0.097 0.000 0.854 495 R HN 0.362 nan 8.270 nan 0.000 0.436 496 P HA -0.145 nan 4.420 nan 0.000 0.215 496 P C 1.320 178.786 177.300 0.277 0.000 1.153 496 P CA 0.976 64.194 63.100 0.197 0.000 0.853 496 P CB -0.207 31.601 31.700 0.180 0.000 0.788 497 F N 0.122 120.158 119.950 0.142 0.000 2.075 497 F HA -0.135 4.392 4.527 0.001 0.000 0.297 497 F C 1.987 177.909 175.800 0.203 0.000 1.113 497 F CA 1.448 59.563 58.000 0.192 0.000 1.218 497 F CB -1.030 38.049 39.000 0.131 0.000 0.984 497 F HN -0.265 nan 8.300 nan 0.000 0.472 498 L N -0.218 121.074 121.223 0.115 0.000 2.083 498 L HA -0.200 4.140 4.340 0.001 0.000 0.209 498 L C 2.746 179.589 176.870 -0.044 0.000 1.083 498 L CA 1.136 55.952 54.840 -0.039 0.000 0.752 498 L CB -1.188 40.900 42.059 0.048 0.000 0.899 498 L HN 0.255 nan 8.230 nan 0.000 0.433 499 A N -0.429 122.418 122.820 0.044 0.000 1.898 499 A HA -0.284 4.036 4.320 0.001 0.000 0.216 499 A C 2.204 179.817 177.584 0.047 0.000 1.181 499 A CA 1.623 53.688 52.037 0.048 0.000 0.620 499 A CB -0.886 18.165 19.000 0.086 0.000 0.819 499 A HN 0.506 nan 8.150 nan 0.000 0.442 500 Y N 0.661 120.940 120.300 -0.036 0.000 2.128 500 Y HA -0.184 4.367 4.550 0.001 0.000 0.284 500 Y C 1.859 177.712 175.900 -0.078 0.000 1.154 500 Y CA 1.859 59.933 58.100 -0.044 0.000 1.149 500 Y CB -0.446 37.993 38.460 -0.035 0.000 0.976 500 Y HN 0.198 nan 8.280 nan 0.000 0.505 501 L N -0.044 120.850 121.223 -0.548 0.000 2.027 501 L HA -0.173 4.168 4.340 0.001 0.000 0.206 501 L C 2.494 179.254 176.870 -0.183 0.000 1.074 501 L CA 1.775 56.309 54.840 -0.509 0.000 0.745 501 L CB -0.642 41.114 42.059 -0.506 0.000 0.898 501 L HN 0.226 nan 8.230 nan 0.000 0.433 502 E N 0.250 120.364 120.200 -0.144 0.000 2.070 502 E HA -0.304 4.046 4.350 0.001 0.000 0.197 502 E C 2.207 178.777 176.600 -0.051 0.000 1.004 502 E CA 1.756 58.116 56.400 -0.066 0.000 0.805 502 E CB -0.012 29.658 29.700 -0.049 0.000 0.744 502 E HN 0.267 nan 8.360 nan 0.000 0.451 503 K N 1.048 121.406 120.400 -0.071 0.000 2.057 503 K HA -0.212 4.109 4.320 0.001 0.000 0.206 503 K C 2.153 178.690 176.600 -0.105 0.000 1.050 503 K CA 1.472 57.722 56.287 -0.061 0.000 0.935 503 K CB -0.022 32.461 32.500 -0.028 0.000 0.715 503 K HN -0.090 nan 8.250 nan 0.000 0.439 504 K N -0.374 119.906 120.400 -0.200 0.000 2.026 504 K HA -0.164 4.156 4.320 0.001 0.000 0.208 504 K C 1.570 177.916 176.600 -0.423 0.000 1.048 504 K CA 1.554 57.641 56.287 -0.333 0.000 0.929 504 K CB -0.137 32.027 32.500 -0.559 0.000 0.713 504 K HN 0.193 nan 8.250 nan 0.000 0.439 505 Y N -0.234 119.993 120.300 -0.121 0.000 2.511 505 Y HA 0.168 4.719 4.550 0.001 0.000 0.279 505 Y C 1.933 177.841 175.900 0.012 0.000 1.157 505 Y CA 0.394 58.489 58.100 -0.009 0.000 1.300 505 Y CB 0.240 38.695 38.460 -0.008 0.000 1.052 505 Y HN 0.197 nan 8.280 nan 0.000 0.529 506 A N -0.171 122.671 122.820 0.037 0.000 1.970 506 A HA 0.065 4.385 4.320 0.001 0.000 0.216 506 A C 2.317 179.885 177.584 -0.027 0.000 1.170 506 A CA 1.321 53.368 52.037 0.016 0.000 0.645 506 A CB -0.709 18.285 19.000 -0.009 0.000 0.816 506 A HN 0.345 nan 8.150 nan 0.000 0.447 507 A N -0.109 122.663 122.820 -0.080 0.000 1.855 507 A HA 0.132 4.452 4.320 0.001 0.000 0.213 507 A C 2.130 179.587 177.584 -0.211 0.000 1.195 507 A CA 1.160 53.124 52.037 -0.122 0.000 0.610 507 A CB -0.584 18.346 19.000 -0.117 0.000 0.837 507 A HN 0.403 nan 8.150 nan 0.000 0.444 508 L N -2.084 118.962 121.223 -0.296 0.000 1.994 508 L HA -0.171 4.169 4.340 0.001 0.000 0.208 508 L C 1.694 178.126 176.870 -0.730 0.000 1.071 508 L CA 1.312 55.783 54.840 -0.617 0.000 0.745 508 L CB -0.530 41.163 42.059 -0.609 0.000 0.892 508 L HN 0.482 nan 8.230 nan 0.000 0.431 509 Y N 0.379 120.539 120.300 -0.234 0.000 2.596 509 Y HA 0.273 4.823 4.550 0.001 0.000 0.316 509 Y C 1.536 177.389 175.900 -0.077 0.000 1.156 509 Y CA -0.129 57.919 58.100 -0.088 0.000 1.300 509 Y CB -0.705 37.804 38.460 0.081 0.000 1.130 509 Y HN 0.215 nan 8.280 nan 0.000 0.518 510 G N 0.000 108.781 108.800 -0.032 0.000 5.446 510 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 510 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 510 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925