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 3k70_1_G DATA FIRST_RESID 1 DATA SEQUENCE MKLQKQLLEA VEHKQLRPLD VQFALTVAGD EHPAVTLAAA LLSHDAGEGH DATA SEQUENCE VCLPLSRLEN NEASHPLLAT CVSEIGELQN WEECLLASQA VSRGDEPTPM DATA SEQUENCE ILCGDRLYLN RMWCNERTVA RFFNEVNHAI EVDEALLAQT LDKLFPVSDE DATA SEQUENCE INWQKVAAAV ALTRRISVIS GGPGTGKTTT VAKLLAALIQ MADGERCRIR DATA SEQUENCE LAAPTGKAAA RLTESLGKAL RQLPLTDEQK KRIPEDASTL HRLLGAQPXX DATA SEQUENCE QRLRHHAGNP LHLDVLVVDE ASMIDLPMMS RLIDALPDHA RVIFLGDRDQ DATA SEQUENCE LASVEAGAVL GDICAYANAG FTAERARQLS RLTGTHVPAG TGTEAASLRD DATA SEQUENCE SLCLLQKSYR FGSDSGIGQL AAAINRGDKT AVKTVFQQDF TDIEKRLLQS DATA SEQUENCE GEDYIAMLEE ALAGYGRYLD LLQARAEPDL IIQAFNEYQL LCALREGPFG DATA SEQUENCE VAGLNERIEQ FMQQKRXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXPSRLPEH ETTWAMTVHK SQGSEFDHAA DATA SEQUENCE LILPSQRTPV VTRELVYTAV TRARRRLSLY ADERILSAAI ATRTERRSGL DATA SEQUENCE AALFSS 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 0.000 176.288 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 K N -0.603 119.784 120.400 -0.020 0.000 2.469 2 K HA 0.328 4.649 4.320 0.001 0.000 0.143 2 K C 0.307 176.894 176.600 -0.023 0.000 2.062 2 K CA 0.574 56.846 56.287 -0.025 0.000 1.292 2 K CB 1.810 34.297 32.500 -0.022 0.000 2.267 2 K HN 0.603 nan 8.250 nan 0.000 0.535 3 L N -0.155 121.059 121.223 -0.014 0.000 1.298 3 L HA -0.170 4.170 4.340 0.001 0.000 0.501 3 L C 1.485 178.354 176.870 -0.002 0.000 0.777 3 L CA 0.783 55.619 54.840 -0.008 0.000 2.346 3 L CB -0.496 41.560 42.059 -0.004 0.000 1.177 3 L HN 0.127 nan 8.230 nan 0.000 0.527 4 Q N 1.296 121.095 119.800 -0.002 0.000 2.066 4 Q HA -0.367 3.974 4.340 0.001 0.000 0.216 4 Q C 1.603 177.607 176.000 0.006 0.000 1.035 4 Q CA 3.608 59.413 55.803 0.003 0.000 0.897 4 Q CB -0.075 28.663 28.738 0.001 0.000 1.010 4 Q HN 0.500 nan 8.270 nan 0.000 0.416 5 K N -0.430 119.972 120.400 0.003 0.000 2.052 5 K HA -0.288 4.033 4.320 0.001 0.000 0.215 5 K C 2.239 178.841 176.600 0.003 0.000 1.053 5 K CA 2.245 58.535 56.287 0.005 0.000 0.934 5 K CB -0.310 32.191 32.500 0.001 0.000 0.717 5 K HN 0.460 nan 8.250 nan 0.000 0.450 6 Q N 0.623 120.422 119.800 -0.002 0.000 2.061 6 Q HA -0.171 4.170 4.340 0.001 0.000 0.204 6 Q C 2.402 178.399 176.000 -0.004 0.000 0.984 6 Q CA 1.415 57.212 55.803 -0.009 0.000 0.846 6 Q CB -0.384 28.350 28.738 -0.006 0.000 0.902 6 Q HN 0.359 nan 8.270 nan 0.000 0.421 7 L N 0.510 121.738 121.223 0.008 0.000 1.976 7 L HA -0.200 4.141 4.340 0.001 0.000 0.209 7 L C 2.546 179.430 176.870 0.024 0.000 1.071 7 L CA 0.985 55.835 54.840 0.017 0.000 0.746 7 L CB -0.604 41.470 42.059 0.025 0.000 0.890 7 L HN 0.172 nan 8.230 nan 0.000 0.432 8 L N -0.295 120.944 121.223 0.026 0.000 2.129 8 L HA -0.275 4.066 4.340 0.001 0.000 0.212 8 L C 2.594 179.493 176.870 0.047 0.000 1.087 8 L CA 1.351 56.211 54.840 0.035 0.000 0.757 8 L CB -0.483 41.593 42.059 0.029 0.000 0.896 8 L HN 0.378 nan 8.230 nan 0.000 0.434 9 E N 0.009 120.234 120.200 0.041 0.000 2.152 9 E HA -0.192 4.159 4.350 0.001 0.000 0.192 9 E C 2.244 178.898 176.600 0.090 0.000 0.983 9 E CA 0.836 57.278 56.400 0.069 0.000 0.818 9 E CB 0.031 29.737 29.700 0.010 0.000 0.758 9 E HN 0.481 nan 8.360 nan 0.000 0.467 10 A N 0.365 123.204 122.820 0.032 0.000 2.024 10 A HA -0.136 4.185 4.320 0.001 0.000 0.220 10 A C 2.230 179.854 177.584 0.067 0.000 1.164 10 A CA 1.203 53.257 52.037 0.028 0.000 0.643 10 A CB -0.291 18.708 19.000 -0.002 0.000 0.806 10 A HN 0.209 nan 8.150 nan 0.000 0.451 11 V N -0.384 119.571 119.914 0.070 0.000 2.535 11 V HA -0.168 3.953 4.120 0.001 0.000 0.246 11 V C 2.268 178.408 176.094 0.077 0.000 1.045 11 V CA 1.650 63.989 62.300 0.065 0.000 1.058 11 V CB -0.716 31.139 31.823 0.053 0.000 0.689 11 V HN 0.591 nan 8.190 nan 0.000 0.461 12 E N 0.188 120.451 120.200 0.106 0.000 2.033 12 E HA -0.248 4.103 4.350 0.001 0.000 0.199 12 E C 1.482 178.106 176.600 0.040 0.000 1.011 12 E CA 1.764 58.214 56.400 0.082 0.000 0.815 12 E CB -0.255 29.536 29.700 0.151 0.000 0.755 12 E HN 0.687 nan 8.360 nan 0.000 0.451 13 H N 0.941 120.014 119.070 0.005 0.000 2.933 13 H HA 0.133 4.690 4.556 0.001 0.000 0.306 13 H C -0.378 174.953 175.328 0.005 0.000 1.142 13 H CA 0.102 56.153 56.048 0.005 0.000 1.193 13 H CB -0.702 29.062 29.762 0.003 0.000 1.330 13 H HN 0.059 nan 8.280 nan 0.000 0.585 14 K N 1.122 121.571 120.400 0.083 0.000 3.585 14 K HA -0.289 4.032 4.320 0.001 0.000 0.272 14 K C -0.012 176.623 176.600 0.058 0.000 0.828 14 K CA 0.806 57.128 56.287 0.058 0.000 0.631 14 K CB -0.906 31.616 32.500 0.037 0.000 1.636 14 K HN 0.732 nan 8.250 nan 0.000 0.448 15 Q N 0.663 120.491 119.800 0.046 0.000 2.263 15 Q HA 0.384 4.725 4.340 0.001 0.000 0.337 15 Q C -0.635 175.309 176.000 -0.094 0.000 0.906 15 Q CA -0.866 54.931 55.803 -0.010 0.000 1.124 15 Q CB 0.033 28.764 28.738 -0.011 0.000 1.255 15 Q HN 0.329 nan 8.270 nan 0.000 0.435 16 L N -2.751 118.457 121.223 -0.025 0.000 5.667 16 L HA 0.090 4.430 4.340 0.001 0.000 0.234 16 L C -0.990 175.921 176.870 0.068 0.000 1.191 16 L CA -0.881 53.966 54.840 0.012 0.000 0.713 16 L CB -0.492 41.515 42.059 -0.086 0.000 1.428 16 L HN 0.368 nan 8.230 nan 0.000 0.192 17 R N 3.373 123.935 120.500 0.104 0.000 2.801 17 R HA 0.447 4.788 4.340 0.001 0.000 0.273 17 R C -1.782 174.562 176.300 0.073 0.000 1.080 17 R CA -0.467 55.680 56.100 0.077 0.000 1.197 17 R CB -0.131 30.212 30.300 0.070 0.000 1.109 17 R HN 0.600 nan 8.270 nan 0.000 0.535 18 P HA -0.220 nan 4.420 nan 0.000 0.215 18 P C 1.732 179.079 177.300 0.079 0.000 1.153 18 P CA 1.261 64.399 63.100 0.062 0.000 0.853 18 P CB -0.079 31.650 31.700 0.049 0.000 0.788 19 L N 0.133 121.401 121.223 0.075 0.000 2.021 19 L HA -0.207 4.133 4.340 0.001 0.000 0.215 19 L C 2.034 178.983 176.870 0.133 0.000 1.074 19 L CA 2.170 57.063 54.840 0.089 0.000 0.760 19 L CB -0.749 41.343 42.059 0.054 0.000 0.889 19 L HN -0.073 nan 8.230 nan 0.000 0.433 20 D N -0.685 119.786 120.400 0.119 0.000 2.084 20 D HA -0.213 4.428 4.640 0.001 0.000 0.194 20 D C 2.095 178.511 176.300 0.193 0.000 0.990 20 D CA 1.752 55.847 54.000 0.158 0.000 0.826 20 D CB -0.580 40.307 40.800 0.144 0.000 0.971 20 D HN 0.412 nan 8.370 nan 0.000 0.453 21 V N 0.944 120.937 119.914 0.131 0.000 2.515 21 V HA -0.205 3.916 4.120 0.001 0.000 0.250 21 V C 2.076 178.229 176.094 0.099 0.000 1.058 21 V CA 1.579 63.941 62.300 0.103 0.000 1.064 21 V CB -0.103 31.761 31.823 0.069 0.000 0.675 21 V HN 0.032 nan 8.190 nan 0.000 0.461 22 Q N -0.341 119.525 119.800 0.110 0.000 2.049 22 Q HA -0.144 4.197 4.340 0.001 0.000 0.198 22 Q C 2.101 178.164 176.000 0.105 0.000 0.971 22 Q CA 2.229 58.086 55.803 0.090 0.000 0.833 22 Q CB -0.740 28.051 28.738 0.089 0.000 0.896 22 Q HN 0.790 nan 8.270 nan 0.000 0.434 23 F N 1.533 121.501 119.950 0.030 0.000 2.120 23 F HA -0.230 4.298 4.527 0.001 0.000 0.300 23 F C 2.092 177.909 175.800 0.029 0.000 1.095 23 F CA 1.629 59.648 58.000 0.031 0.000 1.249 23 F CB -0.272 38.751 39.000 0.039 0.000 0.995 23 F HN 0.048 nan 8.300 nan 0.000 0.480 24 A N 0.617 123.454 122.820 0.028 0.000 1.898 24 A HA -0.096 4.225 4.320 0.001 0.000 0.216 24 A C 2.275 179.783 177.584 -0.128 0.000 1.181 24 A CA 1.746 53.739 52.037 -0.073 0.000 0.620 24 A CB -1.123 17.928 19.000 0.084 0.000 0.819 24 A HN 0.510 nan 8.150 nan 0.000 0.442 25 L N -0.163 121.020 121.223 -0.066 0.000 2.027 25 L HA -0.148 4.193 4.340 0.001 0.000 0.206 25 L C 2.945 179.760 176.870 -0.092 0.000 1.074 25 L CA 1.833 56.638 54.840 -0.059 0.000 0.745 25 L CB -0.809 41.238 42.059 -0.020 0.000 0.898 25 L HN 0.611 nan 8.230 nan 0.000 0.433 26 T N -4.048 110.437 114.554 -0.115 0.000 2.995 26 T HA -0.040 4.310 4.350 0.001 0.000 0.269 26 T C 1.619 176.215 174.700 -0.173 0.000 1.091 26 T CA 0.753 62.784 62.100 -0.116 0.000 1.128 26 T CB -0.186 68.633 68.868 -0.082 0.000 0.891 26 T HN 0.099 nan 8.240 nan 0.000 0.492 27 V N 0.143 119.878 119.914 -0.297 0.000 3.125 27 V HA 0.461 4.582 4.120 0.001 0.000 0.249 27 V C 2.321 178.289 176.094 -0.209 0.000 1.113 27 V CA 0.921 63.027 62.300 -0.322 0.000 1.106 27 V CB -0.063 31.375 31.823 -0.641 0.000 0.768 27 V HN 0.699 nan 8.190 nan 0.000 0.468 28 A N -0.877 121.836 122.820 -0.178 0.000 2.113 28 A HA 0.566 4.887 4.320 0.001 0.000 0.211 28 A C 2.127 179.665 177.584 -0.078 0.000 2.359 28 A CA 1.160 53.132 52.037 -0.107 0.000 1.274 28 A CB -0.943 18.004 19.000 -0.088 0.000 1.160 28 A HN 0.809 nan 8.150 nan 0.000 0.585 29 G N -0.084 108.677 108.800 -0.064 0.000 3.504 29 G HA2 -0.414 3.546 3.960 0.001 0.000 0.225 29 G HA3 -0.414 3.546 3.960 0.001 0.000 0.225 29 G C 0.539 175.415 174.900 -0.041 0.000 1.582 29 G CA 1.476 46.548 45.100 -0.047 0.000 1.579 29 G HN 0.512 nan 8.290 nan 0.000 0.706 30 D N 2.395 122.769 120.400 -0.043 0.000 2.395 30 D HA 0.318 4.959 4.640 0.001 0.000 0.226 30 D C 0.828 177.107 176.300 -0.036 0.000 1.146 30 D CA 0.377 54.354 54.000 -0.038 0.000 0.830 30 D CB 0.259 41.037 40.800 -0.037 0.000 0.958 30 D HN 0.689 nan 8.370 nan 0.000 0.501 31 E N -0.436 119.745 120.200 -0.032 0.000 2.369 31 E HA 0.123 4.474 4.350 0.001 0.000 0.270 31 E C -0.241 176.367 176.600 0.012 0.000 0.909 31 E CA -0.945 55.446 56.400 -0.015 0.000 0.775 31 E CB 1.738 31.425 29.700 -0.022 0.000 1.270 31 E HN 0.073 nan 8.360 nan 0.000 0.445 32 H N 4.081 123.101 119.070 -0.084 0.000 3.199 32 H HA -0.079 4.478 4.556 0.001 0.000 0.267 32 H C -1.454 173.812 175.328 -0.104 0.000 0.848 32 H CA -0.405 55.585 56.048 -0.098 0.000 1.426 32 H CB 0.515 30.201 29.762 -0.127 0.000 1.350 32 H HN 0.334 nan 8.280 nan 0.000 0.527 33 P HA -0.249 nan 4.420 nan 0.000 0.219 33 P C 1.127 178.473 177.300 0.077 0.000 1.145 33 P CA 1.861 64.997 63.100 0.060 0.000 0.813 33 P CB 0.021 31.728 31.700 0.011 0.000 0.771 34 A N 0.951 123.856 122.820 0.141 0.000 1.841 34 A HA -0.179 4.142 4.320 0.001 0.000 0.216 34 A C 2.544 180.013 177.584 -0.190 0.000 1.199 34 A CA 2.797 54.734 52.037 -0.166 0.000 0.621 34 A CB -1.831 16.805 19.000 -0.607 0.000 0.835 34 A HN 0.184 nan 8.150 nan 0.000 0.445 35 V N -1.789 118.008 119.914 -0.194 0.000 2.380 35 V HA -0.262 3.859 4.120 0.001 0.000 0.251 35 V C 2.128 178.198 176.094 -0.040 0.000 1.063 35 V CA 3.102 65.327 62.300 -0.125 0.000 1.055 35 V CB -1.896 29.866 31.823 -0.102 0.000 0.657 35 V HN 0.488 nan 8.190 nan 0.000 0.455 36 T N 0.603 115.143 114.554 -0.023 0.000 2.674 36 T HA -0.115 4.236 4.350 0.001 0.000 0.265 36 T C 1.890 176.612 174.700 0.036 0.000 1.039 36 T CA 2.192 64.290 62.100 -0.003 0.000 1.150 36 T CB -0.406 68.460 68.868 -0.003 0.000 0.864 36 T HN 0.484 nan 8.240 nan 0.000 0.427 37 L N 0.473 121.724 121.223 0.046 0.000 2.046 37 L HA -0.103 4.238 4.340 0.001 0.000 0.208 37 L C 2.863 179.807 176.870 0.123 0.000 1.077 37 L CA 1.386 56.276 54.840 0.083 0.000 0.747 37 L CB -0.663 41.454 42.059 0.097 0.000 0.896 37 L HN 0.292 nan 8.230 nan 0.000 0.432 38 A N 0.052 122.949 122.820 0.128 0.000 1.869 38 A HA -0.330 3.990 4.320 0.001 0.000 0.218 38 A C 2.417 180.105 177.584 0.174 0.000 1.203 38 A CA 2.307 54.454 52.037 0.184 0.000 0.638 38 A CB -1.104 17.987 19.000 0.151 0.000 0.831 38 A HN 0.560 nan 8.150 nan 0.000 0.450 39 A N -0.658 122.261 122.820 0.165 0.000 1.972 39 A HA 0.167 4.488 4.320 0.001 0.000 0.219 39 A C 2.462 180.233 177.584 0.311 0.000 1.169 39 A CA 2.128 54.328 52.037 0.272 0.000 0.635 39 A CB -0.915 18.218 19.000 0.221 0.000 0.810 39 A HN 1.153 nan 8.150 nan 0.000 0.446 40 A N -0.299 122.651 122.820 0.216 0.000 1.898 40 A HA 0.017 4.338 4.320 0.001 0.000 0.216 40 A C 2.145 179.838 177.584 0.181 0.000 1.181 40 A CA 1.437 53.590 52.037 0.194 0.000 0.620 40 A CB -0.494 18.581 19.000 0.125 0.000 0.819 40 A HN 0.466 nan 8.150 nan 0.000 0.442 41 L N -0.920 120.403 121.223 0.166 0.000 2.131 41 L HA -0.088 4.253 4.340 0.001 0.000 0.206 41 L C 2.512 179.499 176.870 0.194 0.000 1.087 41 L CA 0.843 55.793 54.840 0.183 0.000 0.767 41 L CB -0.569 41.576 42.059 0.143 0.000 0.917 41 L HN 0.495 nan 8.230 nan 0.000 0.441 42 L N -0.327 120.989 121.223 0.154 0.000 1.956 42 L HA -0.258 4.083 4.340 0.001 0.000 0.216 42 L C 2.626 179.531 176.870 0.059 0.000 1.073 42 L CA 2.299 57.200 54.840 0.103 0.000 0.762 42 L CB -1.067 41.065 42.059 0.122 0.000 0.889 42 L HN 0.134 nan 8.230 nan 0.000 0.433 43 S N -1.996 113.728 115.700 0.041 0.000 2.440 43 S HA -0.279 4.192 4.470 0.001 0.000 0.238 43 S C 1.997 176.608 174.600 0.019 0.000 1.010 43 S CA 1.390 59.545 58.200 -0.076 0.000 0.972 43 S CB -0.623 62.495 63.200 -0.137 0.000 0.774 43 S HN 0.842 nan 8.310 nan 0.000 0.501 44 H N 1.394 120.472 119.070 0.013 0.000 2.260 44 H HA 0.016 4.572 4.556 0.001 0.000 0.304 44 H C 1.832 177.170 175.328 0.018 0.000 1.059 44 H CA 2.159 58.220 56.048 0.022 0.000 1.305 44 H CB -0.776 29.012 29.762 0.044 0.000 1.388 44 H HN 0.258 nan 8.280 nan 0.000 0.496 45 D N 0.580 120.894 120.400 -0.143 0.000 2.133 45 D HA -0.239 4.402 4.640 0.001 0.000 0.192 45 D C 2.228 178.456 176.300 -0.120 0.000 1.001 45 D CA 1.648 55.573 54.000 -0.125 0.000 0.844 45 D CB -0.820 40.043 40.800 0.105 0.000 0.944 45 D HN 0.571 nan 8.370 nan 0.000 0.447 46 A N 0.879 123.662 122.820 -0.062 0.000 1.892 46 A HA -0.154 4.167 4.320 0.001 0.000 0.218 46 A C 2.459 179.984 177.584 -0.099 0.000 1.188 46 A CA 2.570 54.573 52.037 -0.057 0.000 0.631 46 A CB -1.256 17.706 19.000 -0.064 0.000 0.822 46 A HN 0.338 nan 8.150 nan 0.000 0.447 47 G N -0.690 108.033 108.800 -0.128 0.000 2.442 47 G HA2 -0.224 3.737 3.960 0.001 0.000 0.219 47 G HA3 -0.224 3.737 3.960 0.001 0.000 0.219 47 G C 1.337 176.145 174.900 -0.154 0.000 1.141 47 G CA 0.981 46.009 45.100 -0.119 0.000 0.763 47 G HN 0.704 nan 8.290 nan 0.000 0.554 48 E N -0.336 119.716 120.200 -0.247 0.000 2.482 48 E HA 0.239 4.590 4.350 0.001 0.000 0.196 48 E C 1.910 178.345 176.600 -0.274 0.000 1.047 48 E CA 0.292 56.524 56.400 -0.280 0.000 0.869 48 E CB 0.082 29.544 29.700 -0.396 0.000 0.836 48 E HN 0.484 nan 8.360 nan 0.000 0.520 49 G N 0.981 109.659 108.800 -0.204 0.000 2.316 49 G HA2 -0.184 3.777 3.960 0.001 0.000 0.203 49 G HA3 -0.184 3.777 3.960 0.001 0.000 0.203 49 G C 0.088 174.947 174.900 -0.069 0.000 0.999 49 G CA -0.453 44.570 45.100 -0.129 0.000 0.649 49 G HN 0.244 nan 8.290 nan 0.000 0.489 50 H N 1.042 120.083 119.070 -0.048 0.000 3.034 50 H HA 0.297 4.854 4.556 0.001 0.000 0.324 50 H C 1.855 177.163 175.328 -0.033 0.000 1.015 50 H CA 0.801 56.821 56.048 -0.047 0.000 1.429 50 H CB 1.392 31.110 29.762 -0.072 0.000 1.429 50 H HN 0.063 nan 8.280 nan 0.000 0.585 51 V N 3.301 123.287 119.914 0.120 0.000 2.379 51 V HA -0.150 3.971 4.120 0.001 0.000 0.245 51 V C 1.455 177.587 176.094 0.064 0.000 1.044 51 V CA 1.734 64.098 62.300 0.106 0.000 1.036 51 V CB -0.190 31.718 31.823 0.141 0.000 0.664 51 V HN 0.929 nan 8.190 nan 0.000 0.453 52 C N -1.546 117.701 119.300 -0.089 0.000 3.028 52 C HA 0.761 5.222 4.460 0.001 0.000 0.338 52 C C -0.475 174.361 174.990 -0.256 0.000 1.366 52 C CA -1.126 57.680 59.018 -0.354 0.000 1.610 52 C CB 1.627 28.738 27.740 -1.050 0.000 2.063 52 C HN 0.237 nan 8.230 nan 0.000 0.463 53 L N 1.958 123.011 121.223 -0.282 0.000 2.377 53 L HA 0.524 4.865 4.340 0.001 0.000 0.270 53 L C -2.707 174.051 176.870 -0.186 0.000 0.991 53 L CA -1.515 53.220 54.840 -0.175 0.000 0.851 53 L CB 1.914 43.931 42.059 -0.069 0.000 1.218 53 L HN 0.579 nan 8.230 nan 0.000 0.420 54 P HA 0.020 nan 4.420 nan 0.000 0.267 54 P C 1.014 178.229 177.300 -0.142 0.000 1.209 54 P CA -0.334 62.669 63.100 -0.163 0.000 0.763 54 P CB 0.702 32.298 31.700 -0.172 0.000 0.816 55 L N 2.515 123.674 121.223 -0.106 0.000 2.189 55 L HA -0.190 4.151 4.340 0.001 0.000 0.214 55 L C 2.034 178.778 176.870 -0.209 0.000 1.097 55 L CA 2.331 57.101 54.840 -0.116 0.000 0.764 55 L CB -1.320 40.713 42.059 -0.044 0.000 0.900 55 L HN 0.413 nan 8.230 nan 0.000 0.436 56 S N -0.574 115.026 115.700 -0.168 0.000 2.345 56 S HA -0.231 4.240 4.470 0.001 0.000 0.220 56 S C 1.955 176.433 174.600 -0.204 0.000 1.031 56 S CA 0.545 58.642 58.200 -0.172 0.000 0.996 56 S CB -0.523 62.603 63.200 -0.122 0.000 0.882 56 S HN 0.347 nan 8.310 nan 0.000 0.445 57 R N 0.544 120.921 120.500 -0.206 0.000 2.395 57 R HA 0.234 4.575 4.340 0.001 0.000 0.203 57 R C 0.885 177.043 176.300 -0.236 0.000 1.076 57 R CA 0.408 56.370 56.100 -0.230 0.000 1.059 57 R CB -0.261 29.879 30.300 -0.266 0.000 0.860 57 R HN 0.468 nan 8.270 nan 0.000 0.476 58 L N -0.572 120.456 121.223 -0.325 0.000 3.135 58 L HA 0.233 4.573 4.340 0.001 0.000 0.279 58 L C -0.569 175.768 176.870 -0.888 0.000 1.200 58 L CA 0.117 54.631 54.840 -0.544 0.000 1.016 58 L CB 0.776 42.502 42.059 -0.557 0.000 1.391 58 L HN 0.007 nan 8.230 nan 0.000 0.588 59 E N 0.814 120.675 120.200 -0.566 0.000 2.255 59 E HA 0.196 4.547 4.350 0.001 0.000 0.245 59 E C -0.056 176.386 176.600 -0.264 0.000 0.909 59 E CA -0.277 55.812 56.400 -0.519 0.000 0.747 59 E CB 0.593 30.055 29.700 -0.396 0.000 1.215 59 E HN 0.105 nan 8.360 nan 0.000 0.424 60 N N 1.779 120.355 118.700 -0.206 0.000 2.853 60 N HA -0.262 4.479 4.740 0.001 0.000 0.239 60 N C 0.696 176.171 175.510 -0.059 0.000 0.967 60 N CA 1.017 54.012 53.050 -0.092 0.000 0.973 60 N CB -0.525 37.925 38.487 -0.063 0.000 1.104 60 N HN 0.476 nan 8.380 nan 0.000 0.602 61 N N 1.187 119.847 118.700 -0.067 0.000 2.376 61 N HA -0.068 4.673 4.740 0.001 0.000 0.177 61 N C 1.196 176.755 175.510 0.082 0.000 1.024 61 N CA 0.828 53.886 53.050 0.013 0.000 0.893 61 N CB -0.032 38.470 38.487 0.024 0.000 0.980 61 N HN 0.537 nan 8.380 nan 0.000 0.439 62 E N 0.563 120.779 120.200 0.027 0.000 2.485 62 E HA 0.048 4.399 4.350 0.001 0.000 0.194 62 E C 0.828 177.458 176.600 0.049 0.000 1.098 62 E CA 0.004 56.451 56.400 0.079 0.000 0.878 62 E CB -0.118 29.586 29.700 0.007 0.000 0.939 62 E HN 0.111 nan 8.360 nan 0.000 0.503 63 A N 1.128 123.960 122.820 0.020 0.000 2.208 63 A HA 0.049 4.370 4.320 0.001 0.000 0.209 63 A C 1.625 179.207 177.584 -0.004 0.000 1.161 63 A CA 0.660 52.702 52.037 0.009 0.000 0.782 63 A CB 0.025 19.025 19.000 0.000 0.000 0.816 63 A HN 0.306 nan 8.150 nan 0.000 0.477 64 S N -2.096 113.595 115.700 -0.014 0.000 3.009 64 S HA 0.350 4.821 4.470 0.001 0.000 0.254 64 S C 0.337 174.843 174.600 -0.157 0.000 1.004 64 S CA -0.554 57.598 58.200 -0.080 0.000 1.119 64 S CB -0.106 63.026 63.200 -0.113 0.000 1.075 64 S HN 0.493 nan 8.310 nan 0.000 0.618 65 H N 1.875 120.938 119.070 -0.012 0.000 4.439 65 H HA 0.494 5.051 4.556 0.001 0.000 0.333 65 H C -2.483 172.847 175.328 0.004 0.000 1.354 65 H CA -0.533 55.512 56.048 -0.004 0.000 0.910 65 H CB -0.913 28.839 29.762 -0.016 0.000 1.131 65 H HN 0.086 nan 8.280 nan 0.000 0.641 66 P HA -0.045 nan 4.420 nan 0.000 0.257 66 P C 0.921 178.251 177.300 0.050 0.000 1.162 66 P CA 0.601 63.754 63.100 0.088 0.000 0.762 66 P CB 0.204 31.939 31.700 0.057 0.000 0.753 67 L N 2.233 123.473 121.223 0.028 0.000 2.671 67 L HA -0.148 4.193 4.340 0.001 0.000 0.236 67 L C 1.658 178.529 176.870 0.001 0.000 1.178 67 L CA 0.909 55.755 54.840 0.010 0.000 0.829 67 L CB -0.652 41.408 42.059 0.001 0.000 0.956 67 L HN 0.441 nan 8.230 nan 0.000 0.455 68 L N 0.165 121.392 121.223 0.006 0.000 2.928 68 L HA 0.183 4.524 4.340 0.001 0.000 0.236 68 L C 1.701 178.593 176.870 0.036 0.000 1.290 68 L CA -0.354 54.493 54.840 0.012 0.000 1.099 68 L CB 0.077 42.142 42.059 0.010 0.000 1.437 68 L HN 0.112 nan 8.230 nan 0.000 0.493 69 A N -0.818 122.022 122.820 0.033 0.000 2.251 69 A HA 0.039 4.360 4.320 0.001 0.000 0.209 69 A C 1.219 178.825 177.584 0.038 0.000 1.187 69 A CA 0.180 52.243 52.037 0.044 0.000 0.823 69 A CB -0.517 18.502 19.000 0.033 0.000 0.846 69 A HN 0.426 nan 8.150 nan 0.000 0.486 70 T N -2.116 112.453 114.554 0.024 0.000 2.799 70 T HA 0.467 4.818 4.350 0.001 0.000 0.296 70 T C -0.367 174.348 174.700 0.025 0.000 0.947 70 T CA -0.535 61.574 62.100 0.014 0.000 1.141 70 T CB 0.199 69.063 68.868 -0.006 0.000 0.891 70 T HN 0.267 nan 8.240 nan 0.000 0.533 71 C N 2.935 122.251 119.300 0.028 0.000 3.283 71 C HA 0.507 4.968 4.460 0.001 0.000 0.359 71 C C 1.119 176.126 174.990 0.028 0.000 1.160 71 C CA -0.346 58.693 59.018 0.035 0.000 1.232 71 C CB 1.411 29.188 27.740 0.061 0.000 1.571 71 C HN 0.937 nan 8.230 nan 0.000 0.522 72 V N -0.382 119.545 119.914 0.021 0.000 3.539 72 V HA 0.224 4.345 4.120 0.001 0.000 0.262 72 V C 1.353 177.455 176.094 0.013 0.000 1.381 72 V CA 1.113 63.421 62.300 0.013 0.000 1.060 72 V CB 0.349 32.173 31.823 0.002 0.000 0.842 72 V HN 0.685 nan 8.190 nan 0.000 0.445 73 S N 0.432 116.144 115.700 0.019 0.000 2.421 73 S HA 0.051 4.522 4.470 0.001 0.000 0.224 73 S C 1.145 175.787 174.600 0.070 0.000 1.035 73 S CA 0.447 58.656 58.200 0.015 0.000 0.953 73 S CB -0.257 62.945 63.200 0.003 0.000 0.810 73 S HN 0.729 nan 8.310 nan 0.000 0.497 74 E N 2.819 123.074 120.200 0.091 0.000 2.026 74 E HA -0.085 4.266 4.350 0.001 0.000 0.249 74 E C -0.791 175.881 176.600 0.120 0.000 1.273 74 E CA 0.021 56.499 56.400 0.130 0.000 0.991 74 E CB -0.418 29.369 29.700 0.145 0.000 1.076 74 E HN 0.437 nan 8.360 nan 0.000 0.438 75 I N 5.261 125.910 120.570 0.132 0.000 2.577 75 I HA 0.019 4.190 4.170 0.001 0.000 0.299 75 I C 1.355 177.534 176.117 0.104 0.000 1.157 75 I CA 0.662 62.024 61.300 0.104 0.000 1.418 75 I CB -0.792 37.279 38.000 0.119 0.000 1.467 75 I HN 0.753 nan 8.210 nan 0.000 0.624 76 G N 5.656 114.512 108.800 0.094 0.000 2.598 76 G HA2 -0.316 3.645 3.960 0.001 0.000 0.269 76 G HA3 -0.316 3.645 3.960 0.001 0.000 0.269 76 G C 0.904 175.887 174.900 0.139 0.000 1.289 76 G CA 0.359 45.515 45.100 0.094 0.000 0.926 76 G HN 0.789 nan 8.290 nan 0.000 0.567 77 E N 0.159 120.434 120.200 0.124 0.000 2.418 77 E HA -0.009 4.342 4.350 0.001 0.000 0.197 77 E C 2.133 178.899 176.600 0.277 0.000 1.026 77 E CA 1.320 57.809 56.400 0.149 0.000 0.862 77 E CB -0.073 29.671 29.700 0.073 0.000 0.799 77 E HN 1.376 nan 8.360 nan 0.000 0.518 78 L N 0.603 121.955 121.223 0.215 0.000 5.146 78 L HA -0.482 3.859 4.340 0.001 0.000 0.452 78 L C 1.750 178.745 176.870 0.207 0.000 1.055 78 L CA 2.872 57.818 54.840 0.176 0.000 0.960 78 L CB -1.807 40.311 42.059 0.098 0.000 1.736 78 L HN 0.627 nan 8.230 nan 0.000 0.812 79 Q N -2.025 117.939 119.800 0.275 0.000 1.831 79 Q HA -0.445 3.896 4.340 0.001 0.000 0.174 79 Q C 0.919 177.050 176.000 0.217 0.000 2.932 79 Q CA 2.566 58.493 55.803 0.206 0.000 0.296 79 Q CB -1.737 27.061 28.738 0.101 0.000 0.281 79 Q HN 0.724 nan 8.270 nan 0.000 0.373 80 N N 0.085 118.861 118.700 0.127 0.000 2.654 80 N HA -0.094 4.647 4.740 0.001 0.000 0.204 80 N C 0.243 175.792 175.510 0.064 0.000 1.446 80 N CA 1.001 54.091 53.050 0.066 0.000 0.895 80 N CB -0.406 38.081 38.487 0.000 0.000 1.132 80 N HN 0.386 nan 8.380 nan 0.000 0.462 81 W N 1.611 122.880 121.300 -0.052 0.000 2.305 81 W HA -0.201 4.460 4.660 0.001 0.000 0.308 81 W C 2.342 178.829 176.519 -0.054 0.000 1.226 81 W CA 1.106 58.413 57.345 -0.062 0.000 1.253 81 W CB -0.305 29.126 29.460 -0.048 0.000 1.146 81 W HN 0.307 nan 8.180 nan 0.000 0.507 82 E N 0.149 120.455 120.200 0.177 0.000 2.031 82 E HA -0.312 4.039 4.350 0.001 0.000 0.193 82 E C 2.022 178.634 176.600 0.021 0.000 0.994 82 E CA 1.793 58.247 56.400 0.089 0.000 0.800 82 E CB -0.191 29.550 29.700 0.069 0.000 0.752 82 E HN 0.269 nan 8.360 nan 0.000 0.447 83 E N 0.446 120.650 120.200 0.006 0.000 2.058 83 E HA -0.222 4.129 4.350 0.001 0.000 0.194 83 E C 2.123 178.675 176.600 -0.080 0.000 0.997 83 E CA 1.732 58.114 56.400 -0.030 0.000 0.801 83 E CB -0.811 28.876 29.700 -0.022 0.000 0.746 83 E HN 0.333 nan 8.360 nan 0.000 0.450 84 C N -0.119 119.091 119.300 -0.149 0.000 2.413 84 C HA -0.053 4.408 4.460 0.001 0.000 0.276 84 C C 2.546 177.409 174.990 -0.213 0.000 1.248 84 C CA 0.820 59.688 59.018 -0.252 0.000 1.742 84 C CB -1.253 26.188 27.740 -0.499 0.000 2.017 84 C HN 0.560 nan 8.230 nan 0.000 0.481 85 L N 0.164 121.283 121.223 -0.174 0.000 1.973 85 L HA -0.124 4.216 4.340 0.001 0.000 0.208 85 L C 2.654 179.481 176.870 -0.072 0.000 1.073 85 L CA 1.628 56.401 54.840 -0.112 0.000 0.746 85 L CB -0.822 41.212 42.059 -0.042 0.000 0.891 85 L HN 0.337 nan 8.230 nan 0.000 0.433 86 L N -0.243 120.949 121.223 -0.051 0.000 2.137 86 L HA -0.294 4.046 4.340 0.001 0.000 0.213 86 L C 2.852 179.694 176.870 -0.047 0.000 1.085 86 L CA 1.181 55.994 54.840 -0.044 0.000 0.760 86 L CB -0.869 41.169 42.059 -0.034 0.000 0.893 86 L HN 0.336 nan 8.230 nan 0.000 0.434 87 A N 0.101 122.888 122.820 -0.055 0.000 1.873 87 A HA -0.189 4.131 4.320 0.001 0.000 0.218 87 A C 1.583 179.140 177.584 -0.045 0.000 1.193 87 A CA 1.623 53.631 52.037 -0.049 0.000 0.629 87 A CB -0.850 18.115 19.000 -0.058 0.000 0.826 87 A HN 0.517 nan 8.150 nan 0.000 0.447 88 S N -0.180 115.488 115.700 -0.054 0.000 2.562 88 S HA 0.252 4.723 4.470 0.001 0.000 0.281 88 S C 0.023 174.596 174.600 -0.044 0.000 1.333 88 S CA -0.371 57.801 58.200 -0.047 0.000 1.052 88 S CB 0.762 63.928 63.200 -0.055 0.000 0.884 88 S HN 0.363 nan 8.310 nan 0.000 0.506 89 Q N 1.750 121.526 119.800 -0.039 0.000 2.823 89 Q HA 0.388 4.729 4.340 0.001 0.000 0.370 89 Q C 0.585 176.563 176.000 -0.038 0.000 1.110 89 Q CA 0.017 55.798 55.803 -0.037 0.000 0.990 89 Q CB 0.340 29.059 28.738 -0.031 0.000 1.383 89 Q HN 0.909 nan 8.270 nan 0.000 0.430 90 A N -0.378 122.417 122.820 -0.041 0.000 2.469 90 A HA 0.351 4.671 4.320 0.001 0.000 0.245 90 A C 0.391 177.964 177.584 -0.019 0.000 1.221 90 A CA -0.054 51.958 52.037 -0.042 0.000 0.946 90 A CB 0.817 19.776 19.000 -0.068 0.000 1.049 90 A HN 0.163 nan 8.150 nan 0.000 0.529 91 V N -1.514 118.383 119.914 -0.028 0.000 2.888 91 V HA 0.851 4.972 4.120 0.001 0.000 0.309 91 V C -0.603 175.457 176.094 -0.057 0.000 1.114 91 V CA -0.187 62.094 62.300 -0.031 0.000 0.940 91 V CB 1.122 32.933 31.823 -0.019 0.000 1.021 91 V HN 0.649 nan 8.190 nan 0.000 0.426 92 S N 2.753 118.397 115.700 -0.093 0.000 2.638 92 S HA 0.607 5.078 4.470 0.001 0.000 0.274 92 S C 0.267 174.755 174.600 -0.186 0.000 1.157 92 S CA -1.001 57.130 58.200 -0.116 0.000 0.826 92 S CB 2.270 65.403 63.200 -0.111 0.000 1.139 92 S HN 0.731 nan 8.310 nan 0.000 0.474 93 R N 0.065 120.464 120.500 -0.168 0.000 2.189 93 R HA 0.235 4.576 4.340 0.001 0.000 0.218 93 R C 1.521 177.589 176.300 -0.388 0.000 1.074 93 R CA 1.217 57.194 56.100 -0.205 0.000 0.991 93 R CB -0.283 29.956 30.300 -0.102 0.000 0.883 93 R HN 1.029 nan 8.270 nan 0.000 0.457 94 G N -0.106 108.473 108.800 -0.368 0.000 3.259 94 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 94 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 94 G C 0.348 175.154 174.900 -0.157 0.000 0.993 94 G CA 0.160 44.964 45.100 -0.492 0.000 0.836 94 G HN 0.313 nan 8.290 nan 0.000 0.514 95 D N 1.327 121.677 120.400 -0.084 0.000 2.174 95 D HA -0.021 4.620 4.640 0.001 0.000 0.215 95 D C 1.172 177.464 176.300 -0.013 0.000 1.021 95 D CA 1.704 55.691 54.000 -0.021 0.000 0.910 95 D CB -0.181 40.608 40.800 -0.019 0.000 1.142 95 D HN 0.587 nan 8.370 nan 0.000 0.473 96 E N 0.030 120.215 120.200 -0.025 0.000 2.438 96 E HA 0.172 4.523 4.350 0.001 0.000 0.261 96 E C -2.129 174.464 176.600 -0.011 0.000 1.103 96 E CA -0.863 55.529 56.400 -0.014 0.000 0.959 96 E CB 0.096 29.784 29.700 -0.019 0.000 0.958 96 E HN 0.262 nan 8.360 nan 0.000 0.447 97 P HA 0.065 nan 4.420 nan 0.000 0.271 97 P C -1.298 176.008 177.300 0.010 0.000 1.380 97 P CA 0.224 63.336 63.100 0.019 0.000 0.992 97 P CB 0.469 32.183 31.700 0.023 0.000 1.230 98 T N 5.420 119.975 114.554 0.002 0.000 2.841 98 T HA 0.309 4.659 4.350 0.001 0.000 0.283 98 T C -1.454 173.269 174.700 0.038 0.000 1.000 98 T CA -1.589 60.511 62.100 0.001 0.000 0.977 98 T CB 1.774 70.620 68.868 -0.037 0.000 0.979 98 T HN 0.154 nan 8.240 nan 0.000 0.446 99 P HA -0.019 nan 4.420 nan 0.000 0.220 99 P C 0.007 177.409 177.300 0.170 0.000 1.148 99 P CA 0.941 64.130 63.100 0.149 0.000 0.803 99 P CB 0.322 32.136 31.700 0.189 0.000 0.782 100 M N 0.127 119.795 119.600 0.113 0.000 2.259 100 M HA 0.362 4.843 4.480 0.001 0.000 0.304 100 M C -0.381 175.916 176.300 -0.005 0.000 1.019 100 M CA -0.806 54.556 55.300 0.104 0.000 0.922 100 M CB 2.619 35.299 32.600 0.134 0.000 1.600 100 M HN -0.295 nan 8.290 nan 0.000 0.433 101 I N 3.211 123.754 120.570 -0.045 0.000 2.607 101 I HA 0.469 4.640 4.170 0.001 0.000 0.305 101 I C -0.654 175.381 176.117 -0.136 0.000 0.995 101 I CA -0.855 60.282 61.300 -0.272 0.000 1.148 101 I CB 1.797 39.349 38.000 -0.747 0.000 1.323 101 I HN 0.580 nan 8.210 nan 0.000 0.461 102 L N 5.254 126.357 121.223 -0.201 0.000 2.457 102 L HA 0.388 4.729 4.340 0.001 0.000 0.252 102 L C -0.844 175.990 176.870 -0.060 0.000 1.132 102 L CA -0.024 54.788 54.840 -0.048 0.000 0.938 102 L CB 0.734 42.777 42.059 -0.026 0.000 1.246 102 L HN 0.684 nan 8.230 nan 0.000 0.476 103 C N 4.246 123.563 119.300 0.029 0.000 2.281 103 C HA 0.866 5.327 4.460 0.001 0.000 0.325 103 C C 1.215 176.348 174.990 0.239 0.000 1.282 103 C CA 0.850 59.941 59.018 0.121 0.000 1.640 103 C CB -0.766 27.130 27.740 0.259 0.000 2.288 103 C HN 1.204 nan 8.230 nan 0.000 0.507 104 G N 5.951 114.842 108.800 0.152 0.000 2.562 104 G HA2 -0.205 3.756 3.960 0.001 0.000 0.250 104 G HA3 -0.205 3.756 3.960 0.001 0.000 0.250 104 G C -0.184 174.775 174.900 0.099 0.000 1.269 104 G CA 0.403 45.580 45.100 0.129 0.000 0.919 104 G HN 0.687 nan 8.290 nan 0.000 0.574 105 D N 0.883 121.325 120.400 0.072 0.000 2.722 105 D HA 0.501 5.142 4.640 0.001 0.000 0.239 105 D C 0.783 177.090 176.300 0.012 0.000 1.249 105 D CA 0.031 54.054 54.000 0.038 0.000 0.830 105 D CB 0.227 41.035 40.800 0.013 0.000 1.025 105 D HN 0.363 nan 8.370 nan 0.000 0.486 106 R N 0.120 120.646 120.500 0.044 0.000 2.637 106 R HA 0.606 4.947 4.340 0.001 0.000 0.291 106 R C -1.292 174.983 176.300 -0.041 0.000 0.963 106 R CA -0.842 55.207 56.100 -0.085 0.000 0.901 106 R CB 1.525 31.715 30.300 -0.183 0.000 1.160 106 R HN 0.031 nan 8.270 nan 0.000 0.457 107 L N 3.982 125.113 121.223 -0.153 0.000 2.298 107 L HA 0.514 4.854 4.340 0.001 0.000 0.284 107 L C -1.575 175.257 176.870 -0.063 0.000 1.013 107 L CA -0.243 54.593 54.840 -0.006 0.000 0.824 107 L CB 0.515 42.595 42.059 0.034 0.000 1.221 107 L HN 0.534 nan 8.230 nan 0.000 0.418 108 Y N 3.941 124.274 120.300 0.056 0.000 2.587 108 Y HA 0.538 5.089 4.550 0.001 0.000 0.337 108 Y C -0.274 175.678 175.900 0.086 0.000 1.065 108 Y CA -1.147 57.010 58.100 0.096 0.000 1.126 108 Y CB 1.251 39.828 38.460 0.194 0.000 1.279 108 Y HN 0.310 nan 8.280 nan 0.000 0.489 109 L N 1.823 123.202 121.223 0.261 0.000 2.290 109 L HA 0.160 4.501 4.340 0.001 0.000 0.284 109 L C 1.196 178.193 176.870 0.211 0.000 1.078 109 L CA -0.103 54.834 54.840 0.161 0.000 0.815 109 L CB 0.831 42.918 42.059 0.047 0.000 1.162 109 L HN 0.820 nan 8.230 nan 0.000 0.435 110 N N 2.980 121.793 118.700 0.187 0.000 2.150 110 N HA -0.313 4.428 4.740 0.001 0.000 0.196 110 N C 1.701 177.344 175.510 0.222 0.000 0.982 110 N CA 2.431 55.607 53.050 0.211 0.000 0.896 110 N CB 0.036 38.618 38.487 0.159 0.000 1.077 110 N HN 0.501 nan 8.380 nan 0.000 0.621 111 R N -1.127 119.461 120.500 0.147 0.000 2.198 111 R HA -0.216 4.125 4.340 0.001 0.000 0.258 111 R C 2.059 178.421 176.300 0.104 0.000 1.173 111 R CA 1.749 57.912 56.100 0.105 0.000 0.991 111 R CB -0.270 30.072 30.300 0.070 0.000 0.879 111 R HN 0.452 nan 8.270 nan 0.000 0.460 112 M N -1.562 118.131 119.600 0.155 0.000 2.115 112 M HA -0.140 4.341 4.480 0.001 0.000 0.261 112 M C 2.001 178.381 176.300 0.133 0.000 1.079 112 M CA 1.083 56.488 55.300 0.176 0.000 1.143 112 M CB -1.124 31.641 32.600 0.276 0.000 1.332 112 M HN 0.268 nan 8.290 nan 0.000 0.421 113 W N 0.806 122.051 121.300 -0.091 0.000 2.341 113 W HA -0.236 4.424 4.660 0.001 0.000 0.283 113 W C 2.250 178.614 176.519 -0.258 0.000 1.215 113 W CA 1.402 58.468 57.345 -0.464 0.000 1.211 113 W CB -0.289 28.866 29.460 -0.508 0.000 1.131 113 W HN 0.236 nan 8.180 nan 0.000 0.552 114 C N -0.378 118.834 119.300 -0.147 0.000 2.500 114 C HA -0.069 4.392 4.460 0.001 0.000 0.279 114 C C 2.466 177.303 174.990 -0.254 0.000 1.288 114 C CA 1.402 60.244 59.018 -0.293 0.000 1.710 114 C CB -1.489 26.220 27.740 -0.052 0.000 2.052 114 C HN 0.408 nan 8.230 nan 0.000 0.488 115 N N 0.368 118.997 118.700 -0.119 0.000 2.137 115 N HA -0.222 4.519 4.740 0.001 0.000 0.190 115 N C 1.800 177.242 175.510 -0.113 0.000 1.017 115 N CA 1.358 54.361 53.050 -0.079 0.000 0.859 115 N CB -0.131 38.349 38.487 -0.011 0.000 1.002 115 N HN 0.626 nan 8.380 nan 0.000 0.428 116 E N 1.036 121.139 120.200 -0.161 0.000 2.015 116 E HA -0.133 4.218 4.350 0.001 0.000 0.191 116 E C 2.049 178.497 176.600 -0.253 0.000 0.991 116 E CA 0.853 57.151 56.400 -0.171 0.000 0.802 116 E CB 0.145 29.736 29.700 -0.181 0.000 0.759 116 E HN 0.214 nan 8.360 nan 0.000 0.447 117 R N -0.330 119.906 120.500 -0.439 0.000 2.119 117 R HA -0.150 4.191 4.340 0.001 0.000 0.246 117 R C 2.393 178.542 176.300 -0.251 0.000 1.146 117 R CA 1.970 57.813 56.100 -0.430 0.000 0.962 117 R CB -0.465 29.430 30.300 -0.676 0.000 0.863 117 R HN 0.241 nan 8.270 nan 0.000 0.442 118 T N 0.311 114.735 114.554 -0.218 0.000 2.833 118 T HA -0.084 4.267 4.350 0.001 0.000 0.269 118 T C 1.896 176.553 174.700 -0.072 0.000 1.054 118 T CA 1.147 63.166 62.100 -0.136 0.000 1.135 118 T CB -0.065 68.728 68.868 -0.124 0.000 0.869 118 T HN 0.020 nan 8.240 nan 0.000 0.466 119 V N 1.568 121.457 119.914 -0.041 0.000 2.283 119 V HA -0.083 4.038 4.120 0.001 0.000 0.243 119 V C 2.910 179.112 176.094 0.180 0.000 1.039 119 V CA 1.605 63.958 62.300 0.090 0.000 1.016 119 V CB -1.181 30.717 31.823 0.124 0.000 0.650 119 V HN 0.502 nan 8.190 nan 0.000 0.449 120 A N -0.136 122.709 122.820 0.042 0.000 1.972 120 A HA -0.258 4.063 4.320 0.001 0.000 0.219 120 A C 2.302 179.971 177.584 0.142 0.000 1.169 120 A CA 2.041 54.089 52.037 0.019 0.000 0.635 120 A CB -0.557 18.249 19.000 -0.324 0.000 0.810 120 A HN 0.452 nan 8.150 nan 0.000 0.446 121 R N -1.960 118.567 120.500 0.045 0.000 2.152 121 R HA -0.065 4.276 4.340 0.001 0.000 0.232 121 R C 1.647 178.016 176.300 0.116 0.000 1.117 121 R CA 1.255 57.387 56.100 0.053 0.000 0.981 121 R CB -0.405 29.890 30.300 -0.010 0.000 0.870 121 R HN 0.536 nan 8.270 nan 0.000 0.451 122 F N -0.872 118.987 119.950 -0.150 0.000 2.367 122 F HA 0.078 4.606 4.527 0.002 0.000 0.298 122 F C 0.503 176.055 175.800 -0.415 0.000 1.094 122 F CA 0.624 58.417 58.000 -0.345 0.000 1.409 122 F CB 0.144 38.799 39.000 -0.575 0.000 1.064 122 F HN -0.081 nan 8.300 nan 0.000 0.528 123 F N -0.114 119.907 119.950 0.120 0.000 2.684 123 F HA 0.278 4.805 4.527 0.001 0.000 0.298 123 F C 0.300 176.140 175.800 0.066 0.000 1.120 123 F CA -0.182 57.819 58.000 0.001 0.000 1.332 123 F CB -0.156 38.885 39.000 0.068 0.000 0.986 123 F HN -0.152 nan 8.300 nan 0.000 0.524 124 N N 0.729 119.543 118.700 0.190 0.000 2.595 124 N HA 0.012 4.753 4.740 0.001 0.000 0.291 124 N C 0.492 176.055 175.510 0.088 0.000 1.706 124 N CA 0.247 53.386 53.050 0.147 0.000 0.867 124 N CB 0.460 39.066 38.487 0.199 0.000 1.414 124 N HN 0.295 nan 8.380 nan 0.000 0.492 125 E N -0.249 119.987 120.200 0.061 0.000 2.614 125 E HA 0.020 4.370 4.350 0.001 0.000 0.192 125 E C -0.885 175.739 176.600 0.039 0.000 0.930 125 E CA 0.161 56.595 56.400 0.057 0.000 1.346 125 E CB 0.524 30.272 29.700 0.080 0.000 1.252 125 E HN -0.105 nan 8.360 nan 0.000 0.647 126 V N 4.794 124.708 119.914 0.000 0.000 2.450 126 V HA -0.056 4.065 4.120 0.001 0.000 0.264 126 V C 0.415 176.529 176.094 0.033 0.000 0.996 126 V CA 0.675 62.962 62.300 -0.022 0.000 1.138 126 V CB -1.445 30.357 31.823 -0.035 0.000 1.051 126 V HN 0.307 nan 8.190 nan 0.000 0.470 127 N N 3.466 122.196 118.700 0.049 0.000 2.467 127 N HA 0.116 4.857 4.740 0.001 0.000 0.262 127 N C 0.081 175.657 175.510 0.110 0.000 1.234 127 N CA -0.577 52.526 53.050 0.089 0.000 0.952 127 N CB 0.376 38.912 38.487 0.083 0.000 1.158 127 N HN 0.730 nan 8.380 nan 0.000 0.463 128 H N -0.562 118.515 119.070 0.012 0.000 2.646 128 H HA 0.414 4.971 4.556 0.001 0.000 0.325 128 H C -0.765 174.570 175.328 0.011 0.000 1.075 128 H CA -0.963 55.091 56.048 0.011 0.000 1.421 128 H CB 0.448 30.216 29.762 0.009 0.000 1.461 128 H HN 0.747 nan 8.280 nan 0.000 0.525 129 A N 5.599 128.253 122.820 -0.277 0.000 2.475 129 A HA 0.157 4.478 4.320 0.001 0.000 0.293 129 A C 1.131 178.393 177.584 -0.537 0.000 1.252 129 A CA -0.580 51.272 52.037 -0.309 0.000 0.920 129 A CB -0.923 17.998 19.000 -0.130 0.000 1.125 129 A HN 0.718 nan 8.150 nan 0.000 0.528 130 I N 1.726 121.910 120.570 -0.642 0.000 2.623 130 I HA -0.223 3.948 4.170 0.001 0.000 0.261 130 I C 1.710 177.731 176.117 -0.159 0.000 1.204 130 I CA 1.149 62.186 61.300 -0.439 0.000 1.444 130 I CB -0.696 37.202 38.000 -0.170 0.000 1.094 130 I HN 0.782 nan 8.210 nan 0.000 0.451 131 E N 1.655 121.773 120.200 -0.137 0.000 3.299 131 E HA -0.040 4.311 4.350 0.001 0.000 0.294 131 E C 0.736 177.314 176.600 -0.037 0.000 1.160 131 E CA -0.222 56.141 56.400 -0.063 0.000 1.241 131 E CB -0.015 29.653 29.700 -0.053 0.000 1.046 131 E HN 0.319 nan 8.360 nan 0.000 0.460 132 V N 1.740 121.646 119.914 -0.014 0.000 2.503 132 V HA -0.120 4.001 4.120 0.001 0.000 0.163 132 V C 0.984 177.083 176.094 0.007 0.000 1.062 132 V CA 0.889 63.197 62.300 0.015 0.000 1.362 132 V CB -0.305 31.549 31.823 0.052 0.000 0.864 132 V HN 0.808 nan 8.190 nan 0.000 0.451 133 D N -0.390 120.016 120.400 0.011 0.000 2.699 133 D HA -0.210 4.431 4.640 0.001 0.000 0.239 133 D C 1.153 177.453 176.300 0.001 0.000 1.136 133 D CA 0.934 54.937 54.000 0.005 0.000 0.668 133 D CB -0.958 39.844 40.800 0.002 0.000 1.060 133 D HN 0.766 nan 8.370 nan 0.000 0.429 134 E N -0.233 119.967 120.200 0.000 0.000 2.271 134 E HA -0.357 3.994 4.350 0.001 0.000 0.209 134 E C 2.232 178.827 176.600 -0.009 0.000 1.046 134 E CA 1.555 57.951 56.400 -0.008 0.000 0.840 134 E CB -0.391 29.301 29.700 -0.013 0.000 0.738 134 E HN 0.649 nan 8.360 nan 0.000 0.470 135 A N 1.804 124.620 122.820 -0.006 0.000 1.859 135 A HA -0.242 4.079 4.320 0.001 0.000 0.218 135 A C 2.269 179.851 177.584 -0.003 0.000 1.209 135 A CA 1.948 53.981 52.037 -0.005 0.000 0.639 135 A CB -0.812 18.186 19.000 -0.003 0.000 0.835 135 A HN 0.277 nan 8.150 nan 0.000 0.450 136 L N -0.584 120.639 121.223 -0.001 0.000 2.005 136 L HA -0.076 4.265 4.340 0.001 0.000 0.207 136 L C 2.340 179.213 176.870 0.005 0.000 1.072 136 L CA 1.991 56.832 54.840 0.002 0.000 0.744 136 L CB -0.671 41.389 42.059 0.002 0.000 0.895 136 L HN 0.468 nan 8.230 nan 0.000 0.433 137 L N -0.457 120.767 121.223 0.003 0.000 2.021 137 L HA -0.305 4.036 4.340 0.001 0.000 0.215 137 L C 2.522 179.395 176.870 0.006 0.000 1.074 137 L CA 1.862 56.705 54.840 0.005 0.000 0.760 137 L CB -0.585 41.473 42.059 -0.002 0.000 0.889 137 L HN 0.484 nan 8.230 nan 0.000 0.433 138 A N -0.897 121.920 122.820 -0.004 0.000 1.940 138 A HA -0.266 4.055 4.320 0.001 0.000 0.219 138 A C 2.031 179.620 177.584 0.008 0.000 1.176 138 A CA 1.754 53.786 52.037 -0.009 0.000 0.631 138 A CB -0.417 18.572 19.000 -0.019 0.000 0.814 138 A HN 0.653 nan 8.150 nan 0.000 0.446 139 Q N -0.619 119.187 119.800 0.010 0.000 1.965 139 Q HA -0.140 4.201 4.340 0.001 0.000 0.200 139 Q C 2.349 178.368 176.000 0.030 0.000 0.981 139 Q CA 2.094 57.907 55.803 0.016 0.000 0.834 139 Q CB -0.811 27.933 28.738 0.010 0.000 0.900 139 Q HN 0.833 nan 8.270 nan 0.000 0.426 140 T N -0.098 114.474 114.554 0.030 0.000 2.802 140 T HA -0.171 4.180 4.350 0.001 0.000 0.269 140 T C 1.796 176.544 174.700 0.081 0.000 1.062 140 T CA 1.129 63.254 62.100 0.041 0.000 1.133 140 T CB -0.290 68.599 68.868 0.035 0.000 0.852 140 T HN 0.125 nan 8.240 nan 0.000 0.485 141 L N 0.234 121.513 121.223 0.093 0.000 2.102 141 L HA 0.086 4.427 4.340 0.001 0.000 0.202 141 L C 2.885 179.874 176.870 0.198 0.000 1.076 141 L CA 1.161 56.104 54.840 0.171 0.000 0.761 141 L CB -0.440 41.660 42.059 0.067 0.000 0.921 141 L HN 0.157 nan 8.230 nan 0.000 0.444 142 D N 0.529 120.988 120.400 0.097 0.000 2.218 142 D HA -0.161 4.480 4.640 0.001 0.000 0.204 142 D C 2.034 178.384 176.300 0.084 0.000 0.976 142 D CA 1.145 55.195 54.000 0.082 0.000 0.853 142 D CB 0.264 41.086 40.800 0.036 0.000 0.939 142 D HN 0.268 nan 8.370 nan 0.000 0.481 143 K N -0.270 120.170 120.400 0.066 0.000 2.116 143 K HA 0.049 4.370 4.320 0.001 0.000 0.203 143 K C 2.214 178.813 176.600 -0.001 0.000 1.052 143 K CA 0.304 56.608 56.287 0.029 0.000 0.952 143 K CB 0.238 32.747 32.500 0.015 0.000 0.729 143 K HN 0.127 nan 8.250 nan 0.000 0.446 144 L N -0.262 120.963 121.223 0.004 0.000 2.209 144 L HA 0.030 4.371 4.340 0.001 0.000 0.207 144 L C 0.118 176.752 176.870 -0.392 0.000 1.094 144 L CA 0.497 55.224 54.840 -0.187 0.000 0.790 144 L CB 0.178 42.115 42.059 -0.202 0.000 0.932 144 L HN -0.004 nan 8.230 nan 0.000 0.447 145 F N -0.511 119.434 119.950 -0.008 0.000 2.382 145 F HA 0.316 4.844 4.527 0.001 0.000 0.361 145 F C -1.831 173.963 175.800 -0.010 0.000 1.109 145 F CA -1.992 56.003 58.000 -0.008 0.000 1.031 145 F CB 0.860 39.852 39.000 -0.012 0.000 1.234 145 F HN -0.242 nan 8.300 nan 0.000 0.445 146 P HA -0.038 nan 4.420 nan 0.000 0.215 146 P C 0.742 178.083 177.300 0.068 0.000 1.157 146 P CA 0.713 63.851 63.100 0.063 0.000 0.869 146 P CB 0.382 32.096 31.700 0.023 0.000 0.781 147 V N 1.389 121.350 119.914 0.078 0.000 3.102 147 V HA -0.003 4.117 4.120 0.001 0.000 0.371 147 V C 1.224 177.358 176.094 0.067 0.000 1.414 147 V CA 1.067 63.409 62.300 0.070 0.000 1.565 147 V CB -1.896 29.973 31.823 0.077 0.000 1.273 147 V HN 0.194 nan 8.190 nan 0.000 0.478 148 S N -0.865 114.867 115.700 0.053 0.000 2.631 148 S HA -0.047 4.423 4.470 0.001 0.000 0.217 148 S C 1.302 175.888 174.600 -0.023 0.000 0.958 148 S CA 0.247 58.451 58.200 0.006 0.000 0.920 148 S CB -0.246 62.956 63.200 0.004 0.000 0.776 148 S HN 0.769 nan 8.310 nan 0.000 0.517 149 D N 2.233 122.632 120.400 -0.000 0.000 2.106 149 D HA -0.205 4.435 4.640 0.001 0.000 0.191 149 D C 0.956 177.240 176.300 -0.026 0.000 0.997 149 D CA 1.280 55.275 54.000 -0.007 0.000 0.834 149 D CB -0.391 40.417 40.800 0.014 0.000 0.956 149 D HN 0.589 nan 8.370 nan 0.000 0.448 150 E N 0.987 121.175 120.200 -0.020 0.000 2.134 150 E HA 0.101 4.451 4.350 0.001 0.000 0.278 150 E C -0.079 176.465 176.600 -0.093 0.000 0.959 150 E CA -0.812 55.563 56.400 -0.041 0.000 0.783 150 E CB 0.984 30.677 29.700 -0.011 0.000 1.095 150 E HN 0.339 nan 8.360 nan 0.000 0.399 151 I N 5.088 125.562 120.570 -0.161 0.000 3.549 151 I HA -0.258 3.913 4.170 0.001 0.000 0.333 151 I C -0.244 175.639 176.117 -0.389 0.000 1.232 151 I CA 0.688 61.787 61.300 -0.335 0.000 1.557 151 I CB -0.104 37.630 38.000 -0.444 0.000 1.338 151 I HN 0.421 nan 8.210 nan 0.000 0.456 152 N N 6.955 125.464 118.700 -0.318 0.000 2.406 152 N HA 0.049 4.790 4.740 0.001 0.000 0.251 152 N C 0.274 175.613 175.510 -0.285 0.000 1.069 152 N CA -0.136 52.797 53.050 -0.195 0.000 0.947 152 N CB 0.551 38.982 38.487 -0.094 0.000 1.111 152 N HN 0.622 nan 8.380 nan 0.000 0.497 153 W N 1.900 123.180 121.300 -0.033 0.000 2.467 153 W HA -0.016 4.645 4.660 0.001 0.000 0.275 153 W C 2.016 178.494 176.519 -0.068 0.000 1.239 153 W CA 0.096 57.418 57.345 -0.039 0.000 1.266 153 W CB 0.346 29.806 29.460 -0.000 0.000 1.112 153 W HN 0.585 nan 8.180 nan 0.000 0.576 154 Q N 0.360 120.238 119.800 0.130 0.000 2.172 154 Q HA -0.179 4.161 4.340 0.001 0.000 0.200 154 Q C 2.095 177.931 176.000 -0.273 0.000 0.964 154 Q CA 1.054 56.898 55.803 0.069 0.000 0.855 154 Q CB -0.299 28.578 28.738 0.231 0.000 0.918 154 Q HN 0.298 nan 8.270 nan 0.000 0.444 155 K N 0.612 120.613 120.400 -0.664 0.000 2.148 155 K HA -0.099 4.222 4.320 0.001 0.000 0.204 155 K C 1.804 178.084 176.600 -0.534 0.000 1.050 155 K CA 0.776 56.340 56.287 -1.204 0.000 0.942 155 K CB 0.256 32.156 32.500 -1.000 0.000 0.724 155 K HN 0.016 nan 8.250 nan 0.000 0.446 156 V N 0.978 120.721 119.914 -0.284 0.000 2.488 156 V HA -0.123 3.997 4.120 0.001 0.000 0.246 156 V C 2.354 178.441 176.094 -0.012 0.000 1.046 156 V CA 1.542 63.758 62.300 -0.139 0.000 1.053 156 V CB -0.320 31.467 31.823 -0.059 0.000 0.679 156 V HN 0.423 nan 8.190 nan 0.000 0.458 157 A N 0.598 123.448 122.820 0.051 0.000 1.884 157 A HA -0.260 4.061 4.320 0.001 0.000 0.219 157 A C 2.451 180.060 177.584 0.041 0.000 1.197 157 A CA 2.698 54.788 52.037 0.089 0.000 0.637 157 A CB -1.054 18.002 19.000 0.094 0.000 0.827 157 A HN 0.576 nan 8.150 nan 0.000 0.450 158 A N -0.303 122.511 122.820 -0.009 0.000 1.841 158 A HA 0.066 4.387 4.320 0.001 0.000 0.216 158 A C 2.614 180.195 177.584 -0.004 0.000 1.199 158 A CA 2.957 55.004 52.037 0.016 0.000 0.621 158 A CB -1.459 17.564 19.000 0.039 0.000 0.835 158 A HN 1.410 nan 8.150 nan 0.000 0.445 159 A N -0.820 121.964 122.820 -0.060 0.000 1.940 159 A HA -0.167 4.153 4.320 0.001 0.000 0.221 159 A C 2.254 179.827 177.584 -0.019 0.000 1.190 159 A CA 2.451 54.454 52.037 -0.056 0.000 0.647 159 A CB -1.229 17.704 19.000 -0.113 0.000 0.821 159 A HN 0.592 nan 8.150 nan 0.000 0.457 160 V N -0.690 119.230 119.914 0.009 0.000 2.427 160 V HA -0.181 3.940 4.120 0.001 0.000 0.248 160 V C 2.941 179.071 176.094 0.059 0.000 1.051 160 V CA 1.891 64.230 62.300 0.064 0.000 1.048 160 V CB -1.123 30.798 31.823 0.163 0.000 0.666 160 V HN 0.646 nan 8.190 nan 0.000 0.456 161 A N -0.691 122.158 122.820 0.048 0.000 2.066 161 A HA 0.049 4.369 4.320 0.001 0.000 0.218 161 A C 2.076 179.673 177.584 0.021 0.000 1.157 161 A CA 1.054 53.113 52.037 0.037 0.000 0.670 161 A CB -0.314 18.709 19.000 0.038 0.000 0.804 161 A HN 0.520 nan 8.150 nan 0.000 0.453 162 L N -0.364 120.870 121.223 0.017 0.000 2.529 162 L HA 0.016 4.356 4.340 0.001 0.000 0.223 162 L C 1.774 178.643 176.870 -0.002 0.000 1.113 162 L CA 1.264 56.109 54.840 0.008 0.000 0.861 162 L CB -0.006 42.059 42.059 0.011 0.000 1.012 162 L HN 0.528 nan 8.230 nan 0.000 0.461 163 T N -3.674 110.885 114.554 0.008 0.000 3.174 163 T HA 0.295 4.646 4.350 0.001 0.000 0.269 163 T C 0.618 175.334 174.700 0.026 0.000 1.017 163 T CA -0.443 61.664 62.100 0.011 0.000 0.899 163 T CB 0.297 69.182 68.868 0.029 0.000 1.077 163 T HN -0.061 nan 8.240 nan 0.000 0.552 164 R N 0.340 120.851 120.500 0.017 0.000 2.774 164 R HA 0.496 4.837 4.340 0.001 0.000 0.272 164 R C 0.555 176.855 176.300 0.001 0.000 1.000 164 R CA -0.824 55.291 56.100 0.025 0.000 0.906 164 R CB 1.792 32.118 30.300 0.044 0.000 1.227 164 R HN 0.045 nan 8.270 nan 0.000 0.468 165 R N 0.520 121.018 120.500 -0.003 0.000 2.080 165 R HA 0.159 4.500 4.340 0.001 0.000 0.222 165 R C 0.013 176.298 176.300 -0.025 0.000 1.107 165 R CA 1.136 57.228 56.100 -0.014 0.000 0.980 165 R CB 0.273 30.571 30.300 -0.002 0.000 0.879 165 R HN 0.365 nan 8.270 nan 0.000 0.439 166 I N 1.013 121.557 120.570 -0.043 0.000 2.474 166 I HA 0.228 4.399 4.170 0.001 0.000 0.294 166 I C -0.723 175.425 176.117 0.051 0.000 1.005 166 I CA -0.366 60.907 61.300 -0.044 0.000 1.113 166 I CB 2.193 40.035 38.000 -0.263 0.000 1.289 166 I HN 0.088 nan 8.210 nan 0.000 0.436 167 S N 4.008 119.775 115.700 0.112 0.000 2.547 167 S HA 0.877 5.347 4.470 0.001 0.000 0.270 167 S C -1.176 173.535 174.600 0.185 0.000 1.150 167 S CA -0.851 57.417 58.200 0.114 0.000 0.850 167 S CB 1.694 64.934 63.200 0.066 0.000 1.118 167 S HN 0.267 nan 8.310 nan 0.000 0.461 168 V N 2.253 122.241 119.914 0.123 0.000 2.656 168 V HA 0.595 4.716 4.120 0.001 0.000 0.307 168 V C -1.062 175.062 176.094 0.050 0.000 1.051 168 V CA -0.745 61.632 62.300 0.129 0.000 0.893 168 V CB 1.743 33.571 31.823 0.009 0.000 0.999 168 V HN 0.889 nan 8.190 nan 0.000 0.426 169 I N 2.975 123.582 120.570 0.061 0.000 2.411 169 I HA 0.384 4.554 4.170 0.001 0.000 0.284 169 I C 0.046 176.169 176.117 0.009 0.000 1.012 169 I CA 0.033 61.352 61.300 0.032 0.000 1.119 169 I CB 1.564 39.594 38.000 0.051 0.000 1.261 169 I HN 0.621 nan 8.210 nan 0.000 0.448 170 S N 4.547 120.228 115.700 -0.032 0.000 2.442 170 S HA 0.881 5.352 4.470 0.001 0.000 0.297 170 S C -0.120 174.450 174.600 -0.051 0.000 1.131 170 S CA -0.359 57.810 58.200 -0.051 0.000 1.092 170 S CB 1.091 64.233 63.200 -0.097 0.000 0.998 170 S HN 0.927 nan 8.310 nan 0.000 0.478 171 G N 2.468 111.251 108.800 -0.029 0.000 2.732 171 G HA2 0.578 4.539 3.960 0.001 0.000 0.296 171 G HA3 0.578 4.539 3.960 0.001 0.000 0.296 171 G C -0.105 174.797 174.900 0.002 0.000 1.448 171 G CA -0.278 44.810 45.100 -0.021 0.000 0.911 171 G HN 0.944 nan 8.290 nan 0.000 0.528 172 G N 0.191 108.998 108.800 0.012 0.000 2.684 172 G HA2 0.446 4.407 3.960 0.001 0.000 0.255 172 G HA3 0.446 4.407 3.960 0.001 0.000 0.255 172 G C -0.947 173.968 174.900 0.025 0.000 1.219 172 G CA -0.689 44.442 45.100 0.051 0.000 0.901 172 G HN 0.395 nan 8.290 nan 0.000 0.548 173 P HA -0.003 nan 4.420 nan 0.000 0.220 173 P C 1.574 178.861 177.300 -0.023 0.000 1.148 173 P CA 1.367 64.453 63.100 -0.024 0.000 0.803 173 P CB 0.190 31.852 31.700 -0.063 0.000 0.782 174 G N -1.195 107.595 108.800 -0.017 0.000 3.332 174 G HA2 0.079 4.040 3.960 0.001 0.000 0.242 174 G HA3 0.079 4.040 3.960 0.001 0.000 0.242 174 G C 0.044 174.946 174.900 0.003 0.000 1.276 174 G CA 0.149 45.239 45.100 -0.016 0.000 0.988 174 G HN 0.176 nan 8.290 nan 0.000 0.517 175 T N -0.949 113.612 114.554 0.011 0.000 2.942 175 T HA 0.518 4.869 4.350 0.001 0.000 0.289 175 T C 0.801 175.521 174.700 0.034 0.000 1.044 175 T CA -0.120 61.998 62.100 0.030 0.000 1.023 175 T CB 1.964 70.851 68.868 0.033 0.000 1.123 175 T HN 0.011 nan 8.240 nan 0.000 0.512 176 G N 0.846 109.679 108.800 0.055 0.000 3.541 176 G HA2 0.133 4.093 3.960 0.001 0.000 0.253 176 G HA3 0.133 4.093 3.960 0.001 0.000 0.253 176 G C 0.915 175.855 174.900 0.067 0.000 1.017 176 G CA -0.174 44.960 45.100 0.057 0.000 1.832 176 G HN 0.665 nan 8.290 nan 0.000 0.649 177 K N -0.032 120.398 120.400 0.049 0.000 2.103 177 K HA -0.088 4.233 4.320 0.001 0.000 0.204 177 K C 2.558 179.184 176.600 0.044 0.000 1.052 177 K CA 1.456 57.773 56.287 0.050 0.000 0.945 177 K CB -0.019 32.502 32.500 0.034 0.000 0.722 177 K HN 0.307 nan 8.250 nan 0.000 0.443 178 T N -0.229 114.342 114.554 0.029 0.000 2.674 178 T HA -0.155 4.196 4.350 0.001 0.000 0.265 178 T C 1.921 176.635 174.700 0.023 0.000 1.039 178 T CA 2.509 64.621 62.100 0.020 0.000 1.150 178 T CB -0.546 68.326 68.868 0.007 0.000 0.864 178 T HN 0.560 nan 8.240 nan 0.000 0.427 179 T N -1.658 112.911 114.554 0.025 0.000 2.985 179 T HA -0.014 4.336 4.350 0.001 0.000 0.266 179 T C 2.169 176.895 174.700 0.044 0.000 1.076 179 T CA 1.836 63.946 62.100 0.017 0.000 1.135 179 T CB -1.096 67.773 68.868 0.001 0.000 0.890 179 T HN 0.400 nan 8.240 nan 0.000 0.480 180 T N 1.037 115.647 114.554 0.093 0.000 2.833 180 T HA -0.042 4.309 4.350 0.001 0.000 0.269 180 T C 1.847 176.630 174.700 0.140 0.000 1.054 180 T CA 1.298 63.502 62.100 0.172 0.000 1.135 180 T CB -0.631 68.345 68.868 0.181 0.000 0.869 180 T HN 0.317 nan 8.240 nan 0.000 0.466 181 V N 1.525 121.488 119.914 0.082 0.000 2.667 181 V HA 0.035 4.156 4.120 0.001 0.000 0.252 181 V C 2.872 178.992 176.094 0.044 0.000 1.065 181 V CA 1.248 63.584 62.300 0.059 0.000 1.083 181 V CB -1.273 30.571 31.823 0.035 0.000 0.692 181 V HN 0.566 nan 8.190 nan 0.000 0.468 182 A N 0.880 123.719 122.820 0.032 0.000 1.834 182 A HA -0.248 4.073 4.320 0.001 0.000 0.216 182 A C 2.297 179.883 177.584 0.004 0.000 1.203 182 A CA 2.161 54.202 52.037 0.006 0.000 0.621 182 A CB -0.531 18.461 19.000 -0.014 0.000 0.841 182 A HN 0.505 nan 8.150 nan 0.000 0.446 183 K N -0.212 120.182 120.400 -0.009 0.000 2.103 183 K HA -0.096 4.225 4.320 0.001 0.000 0.207 183 K C 2.022 178.668 176.600 0.076 0.000 1.048 183 K CA 1.159 57.432 56.287 -0.024 0.000 0.930 183 K CB -0.452 31.935 32.500 -0.188 0.000 0.716 183 K HN 0.442 nan 8.250 nan 0.000 0.444 184 L N 1.598 122.897 121.223 0.127 0.000 2.010 184 L HA -0.248 4.093 4.340 0.001 0.000 0.219 184 L C 1.881 178.789 176.870 0.063 0.000 1.077 184 L CA 1.979 56.889 54.840 0.116 0.000 0.773 184 L CB -0.651 41.466 42.059 0.096 0.000 0.892 184 L HN 0.281 nan 8.230 nan 0.000 0.436 185 L N -0.565 120.681 121.223 0.039 0.000 2.179 185 L HA -0.053 4.288 4.340 0.001 0.000 0.208 185 L C 2.853 179.733 176.870 0.015 0.000 1.096 185 L CA 0.703 55.555 54.840 0.020 0.000 0.779 185 L CB -0.655 41.409 42.059 0.008 0.000 0.922 185 L HN 0.322 nan 8.230 nan 0.000 0.443 186 A N 0.585 123.412 122.820 0.013 0.000 1.917 186 A HA -0.267 4.054 4.320 0.001 0.000 0.219 186 A C 2.486 180.075 177.584 0.009 0.000 1.182 186 A CA 2.128 54.166 52.037 0.001 0.000 0.633 186 A CB -0.656 18.334 19.000 -0.017 0.000 0.819 186 A HN 0.411 nan 8.150 nan 0.000 0.448 187 A N -0.999 121.837 122.820 0.026 0.000 1.968 187 A HA 0.130 4.451 4.320 0.001 0.000 0.217 187 A C 2.152 179.750 177.584 0.023 0.000 1.169 187 A CA 1.152 53.208 52.037 0.032 0.000 0.638 187 A CB -0.451 18.585 19.000 0.061 0.000 0.812 187 A HN 0.500 nan 8.150 nan 0.000 0.446 188 L N -0.400 120.836 121.223 0.021 0.000 2.046 188 L HA -0.165 4.176 4.340 0.001 0.000 0.208 188 L C 2.383 179.258 176.870 0.008 0.000 1.077 188 L CA 1.343 56.190 54.840 0.013 0.000 0.747 188 L CB -0.274 41.791 42.059 0.010 0.000 0.896 188 L HN 0.426 nan 8.230 nan 0.000 0.432 189 I N -0.672 119.902 120.570 0.007 0.000 2.142 189 I HA -0.359 3.812 4.170 0.001 0.000 0.240 189 I C 2.565 178.685 176.117 0.004 0.000 1.078 189 I CA 1.318 62.621 61.300 0.004 0.000 1.343 189 I CB -0.365 37.636 38.000 0.002 0.000 1.046 189 I HN 0.327 nan 8.210 nan 0.000 0.405 190 Q N 0.291 120.094 119.800 0.004 0.000 2.062 190 Q HA -0.238 4.103 4.340 0.001 0.000 0.209 190 Q C 1.951 177.953 176.000 0.004 0.000 0.996 190 Q CA 1.813 57.618 55.803 0.004 0.000 0.859 190 Q CB -0.198 28.544 28.738 0.006 0.000 0.920 190 Q HN 0.499 nan 8.270 nan 0.000 0.415 191 M N -0.106 119.497 119.600 0.006 0.000 2.704 191 M HA 0.093 4.574 4.480 0.001 0.000 0.215 191 M C -0.092 176.209 176.300 0.002 0.000 1.156 191 M CA -0.129 55.174 55.300 0.004 0.000 1.002 191 M CB 0.314 32.917 32.600 0.005 0.000 1.781 191 M HN 0.024 nan 8.290 nan 0.000 0.486 192 A N 0.672 123.493 122.820 0.002 0.000 3.095 192 A HA 0.176 4.497 4.320 0.001 0.000 0.301 192 A C 0.680 178.264 177.584 -0.000 0.000 1.432 192 A CA -0.625 51.413 52.037 0.002 0.000 1.140 192 A CB -0.276 18.726 19.000 0.003 0.000 1.174 192 A HN 0.373 nan 8.150 nan 0.000 0.546 193 D N 1.813 122.212 120.400 -0.001 0.000 2.865 193 D HA -0.282 4.359 4.640 0.001 0.000 0.271 193 D C 1.823 178.121 176.300 -0.003 0.000 1.158 193 D CA 2.703 56.701 54.000 -0.002 0.000 1.048 193 D CB -0.300 40.498 40.800 -0.003 0.000 1.380 193 D HN 0.536 nan 8.370 nan 0.000 0.520 194 G N 0.297 109.095 108.800 -0.004 0.000 2.688 194 G HA2 0.091 4.052 3.960 0.001 0.000 0.211 194 G HA3 0.091 4.052 3.960 0.001 0.000 0.211 194 G C 0.758 175.656 174.900 -0.004 0.000 1.399 194 G CA 1.555 46.652 45.100 -0.005 0.000 0.901 194 G HN 0.572 nan 8.290 nan 0.000 0.555 195 E N -3.964 116.234 120.200 -0.004 0.000 2.049 195 E HA 0.601 4.952 4.350 0.001 0.000 0.196 195 E C -0.484 176.115 176.600 -0.001 0.000 1.255 195 E CA -1.060 55.339 56.400 -0.002 0.000 0.906 195 E CB 0.530 30.227 29.700 -0.005 0.000 1.970 195 E HN -0.032 nan 8.360 nan 0.000 0.509 196 R N -0.952 119.548 120.500 -0.000 0.000 3.076 196 R HA -0.113 4.228 4.340 0.001 0.000 0.261 196 R C -1.706 174.607 176.300 0.022 0.000 0.930 196 R CA 0.629 56.731 56.100 0.004 0.000 0.649 196 R CB -1.962 28.333 30.300 -0.008 0.000 1.350 196 R HN 0.667 nan 8.270 nan 0.000 0.453 197 C N 2.866 122.179 119.300 0.021 0.000 2.949 197 C HA 0.498 4.959 4.460 0.001 0.000 0.306 197 C C -0.210 174.794 174.990 0.022 0.000 1.045 197 C CA -0.835 58.198 59.018 0.025 0.000 1.414 197 C CB 0.102 27.851 27.740 0.015 0.000 1.854 197 C HN 0.476 nan 8.230 nan 0.000 0.487 198 R N 4.340 124.859 120.500 0.033 0.000 2.207 198 R HA 0.683 5.024 4.340 0.001 0.000 0.334 198 R C -0.674 175.634 176.300 0.014 0.000 1.013 198 R CA 0.042 56.158 56.100 0.028 0.000 0.858 198 R CB 0.677 31.004 30.300 0.045 0.000 1.094 198 R HN 0.643 nan 8.270 nan 0.000 0.457 199 I N 3.421 123.995 120.570 0.006 0.000 2.354 199 I HA 0.402 4.573 4.170 0.001 0.000 0.286 199 I C 0.028 176.141 176.117 -0.006 0.000 1.007 199 I CA -0.617 60.679 61.300 -0.007 0.000 1.167 199 I CB 1.304 39.299 38.000 -0.008 0.000 1.320 199 I HN 0.349 nan 8.210 nan 0.000 0.458 200 R N 6.568 127.060 120.500 -0.014 0.000 2.393 200 R HA 0.617 4.958 4.340 0.001 0.000 0.315 200 R C -0.933 175.355 176.300 -0.021 0.000 0.952 200 R CA -0.797 55.297 56.100 -0.011 0.000 0.842 200 R CB 1.981 32.279 30.300 -0.005 0.000 1.163 200 R HN 0.531 nan 8.270 nan 0.000 0.450 201 L N 2.177 123.392 121.223 -0.013 0.000 2.395 201 L HA 0.685 5.026 4.340 0.001 0.000 0.269 201 L C 0.384 177.250 176.870 -0.007 0.000 1.133 201 L CA -0.233 54.599 54.840 -0.014 0.000 0.812 201 L CB 1.139 43.194 42.059 -0.006 0.000 1.125 201 L HN 0.727 nan 8.230 nan 0.000 0.452 202 A N 1.818 124.636 122.820 -0.004 0.000 2.557 202 A HA 0.984 5.305 4.320 0.001 0.000 0.292 202 A C -1.571 176.030 177.584 0.029 0.000 1.139 202 A CA -0.041 52.003 52.037 0.012 0.000 0.665 202 A CB 1.783 20.787 19.000 0.007 0.000 1.285 202 A HN 0.935 nan 8.150 nan 0.000 0.433 203 A N -0.702 122.145 122.820 0.045 0.000 2.590 203 A HA 0.723 5.044 4.320 0.001 0.000 0.296 203 A C -2.892 174.735 177.584 0.072 0.000 1.050 203 A CA -0.743 51.330 52.037 0.059 0.000 0.697 203 A CB 0.390 19.416 19.000 0.043 0.000 1.277 203 A HN 0.337 nan 8.150 nan 0.000 0.411 204 P HA -0.029 nan 4.420 nan 0.000 0.222 204 P C 0.754 178.106 177.300 0.087 0.000 1.147 204 P CA 2.166 65.328 63.100 0.102 0.000 0.790 204 P CB 0.079 31.832 31.700 0.090 0.000 0.780 205 T N -5.890 108.699 114.554 0.060 0.000 2.924 205 T HA 0.573 4.924 4.350 0.001 0.000 0.291 205 T C 1.322 176.045 174.700 0.039 0.000 1.045 205 T CA -0.446 61.681 62.100 0.045 0.000 1.015 205 T CB 1.668 70.555 68.868 0.032 0.000 1.103 205 T HN -0.064 nan 8.240 nan 0.000 0.496 206 G N 0.255 109.075 108.800 0.033 0.000 2.572 206 G HA2 -0.058 3.902 3.960 0.001 0.000 0.216 206 G HA3 -0.058 3.902 3.960 0.001 0.000 0.216 206 G C 1.234 176.148 174.900 0.022 0.000 1.133 206 G CA 0.563 45.680 45.100 0.029 0.000 0.791 206 G HN 0.840 nan 8.290 nan 0.000 0.538 207 K N 0.501 120.912 120.400 0.020 0.000 2.025 207 K HA 0.115 4.436 4.320 0.001 0.000 0.207 207 K C 2.734 179.337 176.600 0.005 0.000 1.049 207 K CA 1.188 57.482 56.287 0.011 0.000 0.933 207 K CB -0.261 32.243 32.500 0.007 0.000 0.714 207 K HN 0.153 nan 8.250 nan 0.000 0.438 208 A N 1.262 124.087 122.820 0.008 0.000 1.855 208 A HA -0.049 4.272 4.320 0.001 0.000 0.215 208 A C 2.397 179.987 177.584 0.010 0.000 1.191 208 A CA 1.785 53.825 52.037 0.005 0.000 0.613 208 A CB -1.100 17.907 19.000 0.012 0.000 0.829 208 A HN 0.479 nan 8.150 nan 0.000 0.442 209 A N 0.075 122.906 122.820 0.017 0.000 1.954 209 A HA -0.093 4.228 4.320 0.001 0.000 0.222 209 A C 2.508 180.100 177.584 0.012 0.000 1.199 209 A CA 2.963 55.011 52.037 0.017 0.000 0.657 209 A CB -1.294 17.720 19.000 0.023 0.000 0.823 209 A HN 1.272 nan 8.150 nan 0.000 0.463 210 A N -0.300 122.526 122.820 0.011 0.000 1.849 210 A HA -0.256 4.065 4.320 0.001 0.000 0.217 210 A C 2.223 179.809 177.584 0.004 0.000 1.202 210 A CA 2.031 54.073 52.037 0.008 0.000 0.629 210 A CB -0.654 18.351 19.000 0.008 0.000 0.834 210 A HN 0.612 nan 8.150 nan 0.000 0.447 211 R N -0.741 119.759 120.500 -0.000 0.000 2.080 211 R HA -0.091 4.250 4.340 0.001 0.000 0.236 211 R C 2.210 178.509 176.300 -0.002 0.000 1.137 211 R CA 1.422 57.520 56.100 -0.004 0.000 0.943 211 R CB -0.807 29.487 30.300 -0.011 0.000 0.846 211 R HN 0.518 nan 8.270 nan 0.000 0.431 212 L N 0.752 121.975 121.223 0.001 0.000 2.064 212 L HA -0.360 3.981 4.340 0.001 0.000 0.234 212 L C 2.600 179.471 176.870 0.001 0.000 1.103 212 L CA 2.537 57.378 54.840 0.002 0.000 0.824 212 L CB -1.038 41.023 42.059 0.005 0.000 0.919 212 L HN 0.524 nan 8.230 nan 0.000 0.447 213 T N -2.526 112.029 114.554 0.002 0.000 2.777 213 T HA -0.207 4.144 4.350 0.001 0.000 0.266 213 T C 1.326 176.026 174.700 -0.001 0.000 1.040 213 T CA 1.230 63.330 62.100 0.001 0.000 1.141 213 T CB -0.584 68.285 68.868 0.003 0.000 0.868 213 T HN 0.645 nan 8.240 nan 0.000 0.444 214 E N 1.867 122.066 120.200 -0.001 0.000 2.512 214 E HA 0.052 4.403 4.350 0.001 0.000 0.195 214 E C 1.659 178.256 176.600 -0.005 0.000 1.083 214 E CA 0.797 57.196 56.400 -0.002 0.000 0.873 214 E CB -0.208 29.491 29.700 -0.001 0.000 0.897 214 E HN 0.753 nan 8.360 nan 0.000 0.514 215 S N -0.002 115.695 115.700 -0.005 0.000 2.930 215 S HA 0.130 4.601 4.470 0.001 0.000 0.253 215 S C 1.765 176.361 174.600 -0.007 0.000 1.083 215 S CA -0.448 57.748 58.200 -0.007 0.000 0.836 215 S CB -0.414 62.782 63.200 -0.007 0.000 0.814 215 S HN 0.171 nan 8.310 nan 0.000 0.467 216 L N 1.806 123.027 121.223 -0.004 0.000 2.376 216 L HA 0.155 4.496 4.340 0.001 0.000 0.219 216 L C 2.445 179.311 176.870 -0.006 0.000 1.133 216 L CA 1.139 55.976 54.840 -0.004 0.000 0.816 216 L CB -0.485 41.573 42.059 -0.002 0.000 0.933 216 L HN 0.609 nan 8.230 nan 0.000 0.449 217 G N -0.456 108.341 108.800 -0.006 0.000 2.459 217 G HA2 -0.170 3.790 3.960 0.001 0.000 0.213 217 G HA3 -0.170 3.790 3.960 0.001 0.000 0.213 217 G C 1.590 176.484 174.900 -0.009 0.000 1.155 217 G CA 0.212 45.308 45.100 -0.006 0.000 0.811 217 G HN 0.204 nan 8.290 nan 0.000 0.534 218 K N 0.741 121.135 120.400 -0.010 0.000 1.965 218 K HA 0.079 4.400 4.320 0.001 0.000 0.214 218 K C 2.479 179.069 176.600 -0.016 0.000 1.046 218 K CA 1.407 57.687 56.287 -0.012 0.000 0.944 218 K CB -0.393 32.100 32.500 -0.012 0.000 0.726 218 K HN 0.124 nan 8.250 nan 0.000 0.441 219 A N 0.764 123.574 122.820 -0.018 0.000 2.239 219 A HA 0.040 4.361 4.320 0.001 0.000 0.209 219 A C 1.792 179.359 177.584 -0.028 0.000 1.171 219 A CA 0.537 52.559 52.037 -0.024 0.000 0.768 219 A CB -0.302 18.684 19.000 -0.023 0.000 0.790 219 A HN 0.453 nan 8.150 nan 0.000 0.478 220 L N -1.696 119.514 121.223 -0.022 0.000 2.362 220 L HA 0.113 4.454 4.340 0.001 0.000 0.204 220 L C 2.552 179.409 176.870 -0.022 0.000 1.060 220 L CA 0.480 55.306 54.840 -0.022 0.000 0.827 220 L CB -0.208 41.843 42.059 -0.015 0.000 1.027 220 L HN 0.473 nan 8.230 nan 0.000 0.474 221 R N 0.034 120.523 120.500 -0.018 0.000 2.159 221 R HA -0.185 4.155 4.340 0.001 0.000 0.237 221 R C 1.751 178.038 176.300 -0.020 0.000 1.131 221 R CA 1.357 57.447 56.100 -0.016 0.000 0.982 221 R CB -0.044 30.248 30.300 -0.013 0.000 0.868 221 R HN 0.510 nan 8.270 nan 0.000 0.453 222 Q N 1.181 120.966 119.800 -0.025 0.000 1.732 222 Q HA -0.056 4.284 4.340 0.001 0.000 0.350 222 Q C 0.936 176.915 176.000 -0.036 0.000 0.976 222 Q CA 0.988 56.773 55.803 -0.030 0.000 0.895 222 Q CB -0.637 28.081 28.738 -0.034 0.000 0.934 222 Q HN 0.397 nan 8.270 nan 0.000 0.413 223 L N 1.327 122.521 121.223 -0.049 0.000 2.749 223 L HA -0.021 4.320 4.340 0.001 0.000 0.313 223 L C -2.181 174.662 176.870 -0.045 0.000 1.251 223 L CA -1.113 53.692 54.840 -0.060 0.000 0.867 223 L CB -0.830 41.180 42.059 -0.082 0.000 1.122 223 L HN 0.081 nan 8.230 nan 0.000 0.513 224 P HA 0.157 nan 4.420 nan 0.000 0.257 224 P C -0.458 176.826 177.300 -0.027 0.000 1.189 224 P CA 0.500 63.581 63.100 -0.032 0.000 0.780 224 P CB 0.361 32.042 31.700 -0.031 0.000 0.772 225 L N 3.374 124.584 121.223 -0.021 0.000 3.630 225 L HA 0.131 4.472 4.340 0.001 0.000 0.241 225 L C -0.359 176.503 176.870 -0.013 0.000 0.991 225 L CA 0.100 54.931 54.840 -0.016 0.000 1.324 225 L CB 0.556 42.605 42.059 -0.018 0.000 1.874 225 L HN 0.179 nan 8.230 nan 0.000 0.683 226 T N -1.110 113.437 114.554 -0.010 0.000 3.041 226 T HA 0.067 4.418 4.350 0.001 0.000 0.276 226 T C 0.448 175.144 174.700 -0.007 0.000 0.948 226 T CA 0.305 62.400 62.100 -0.009 0.000 0.885 226 T CB 0.043 68.906 68.868 -0.008 0.000 1.175 226 T HN 0.746 nan 8.240 nan 0.000 0.529 227 D N 3.332 123.728 120.400 -0.006 0.000 2.750 227 D HA -0.079 4.562 4.640 0.001 0.000 0.225 227 D C -0.490 175.808 176.300 -0.004 0.000 1.067 227 D CA 0.393 54.390 54.000 -0.005 0.000 1.223 227 D CB -0.276 40.521 40.800 -0.004 0.000 1.143 227 D HN 0.076 nan 8.370 nan 0.000 0.460 228 E N 0.734 120.931 120.200 -0.004 0.000 2.266 228 E HA -0.245 4.106 4.350 0.001 0.000 0.209 228 E C 0.719 177.317 176.600 -0.003 0.000 1.286 228 E CA 0.522 56.920 56.400 -0.003 0.000 0.677 228 E CB -2.132 27.566 29.700 -0.002 0.000 1.173 228 E HN 0.843 nan 8.360 nan 0.000 0.384 229 Q N 0.505 120.302 119.800 -0.005 0.000 2.486 229 Q HA -0.072 4.269 4.340 0.001 0.000 0.211 229 Q C 0.516 176.513 176.000 -0.004 0.000 0.949 229 Q CA 0.922 56.722 55.803 -0.006 0.000 0.998 229 Q CB 0.141 28.874 28.738 -0.008 0.000 1.004 229 Q HN 0.070 nan 8.270 nan 0.000 0.531 230 K N -0.309 120.090 120.400 -0.002 0.000 2.483 230 K HA 0.218 4.539 4.320 0.001 0.000 0.206 230 K C 0.059 176.660 176.600 0.001 0.000 1.086 230 K CA -0.078 56.208 56.287 -0.001 0.000 1.052 230 K CB 0.926 33.426 32.500 -0.001 0.000 0.904 230 K HN 0.001 nan 8.250 nan 0.000 0.557 231 K N 1.430 121.831 120.400 0.001 0.000 2.684 231 K HA 0.186 4.507 4.320 0.001 0.000 0.215 231 K C -0.103 176.499 176.600 0.003 0.000 1.073 231 K CA -0.063 56.226 56.287 0.003 0.000 1.197 231 K CB 0.253 32.754 32.500 0.003 0.000 0.955 231 K HN 0.121 nan 8.250 nan 0.000 0.473 232 R N 0.646 121.146 120.500 0.001 0.000 3.073 232 R HA 0.057 4.398 4.340 0.001 0.000 0.290 232 R C 0.830 177.131 176.300 0.002 0.000 1.130 232 R CA -0.131 55.969 56.100 0.000 0.000 1.186 232 R CB 0.133 30.433 30.300 -0.001 0.000 1.166 232 R HN 0.008 nan 8.270 nan 0.000 0.563 233 I N 1.936 122.506 120.570 0.000 0.000 2.598 233 I HA 0.031 4.202 4.170 0.001 0.000 0.284 233 I C -1.546 174.573 176.117 0.003 0.000 1.140 233 I CA -2.377 58.923 61.300 0.001 0.000 1.420 233 I CB -0.152 37.847 38.000 -0.002 0.000 1.387 233 I HN 0.361 nan 8.210 nan 0.000 0.553 234 P HA -0.156 nan 4.420 nan 0.000 0.238 234 P C 0.551 177.855 177.300 0.007 0.000 1.175 234 P CA 0.596 63.701 63.100 0.008 0.000 0.757 234 P CB -0.168 31.539 31.700 0.011 0.000 0.839 235 E N -2.075 118.128 120.200 0.005 0.000 3.049 235 E HA -0.236 4.115 4.350 0.001 0.000 0.272 235 E C -0.476 176.128 176.600 0.007 0.000 1.051 235 E CA 0.802 57.205 56.400 0.004 0.000 0.813 235 E CB -1.275 28.427 29.700 0.004 0.000 1.409 235 E HN 0.414 nan 8.360 nan 0.000 0.454 236 D N 0.197 120.602 120.400 0.008 0.000 2.441 236 D HA 0.304 4.944 4.640 0.001 0.000 0.221 236 D C -0.169 176.137 176.300 0.010 0.000 1.156 236 D CA 0.284 54.290 54.000 0.010 0.000 0.896 236 D CB 0.716 41.523 40.800 0.012 0.000 1.028 236 D HN 0.270 nan 8.370 nan 0.000 0.509 237 A N 2.976 125.803 122.820 0.012 0.000 2.625 237 A HA 0.189 4.510 4.320 0.001 0.000 0.289 237 A C 0.526 178.121 177.584 0.018 0.000 1.411 237 A CA 0.144 52.189 52.037 0.014 0.000 1.035 237 A CB -0.808 18.201 19.000 0.015 0.000 0.992 237 A HN 0.388 nan 8.150 nan 0.000 0.580 238 S N 1.766 117.477 115.700 0.018 0.000 2.501 238 S HA 0.618 5.089 4.470 0.001 0.000 0.301 238 S C 0.120 174.740 174.600 0.035 0.000 1.096 238 S CA -0.014 58.200 58.200 0.024 0.000 1.063 238 S CB 1.412 64.622 63.200 0.016 0.000 1.042 238 S HN 1.167 nan 8.310 nan 0.000 0.494 239 T N 2.196 116.780 114.554 0.049 0.000 2.930 239 T HA 0.098 4.448 4.350 0.001 0.000 0.306 239 T C 0.977 175.722 174.700 0.076 0.000 1.045 239 T CA -0.671 61.475 62.100 0.075 0.000 1.134 239 T CB 0.146 69.071 68.868 0.095 0.000 0.961 239 T HN 0.651 nan 8.240 nan 0.000 0.545 240 L N 3.480 124.754 121.223 0.086 0.000 2.549 240 L HA 0.103 4.444 4.340 0.001 0.000 0.230 240 L C 1.313 178.186 176.870 0.004 0.000 1.162 240 L CA 1.734 56.603 54.840 0.049 0.000 0.834 240 L CB -1.404 40.701 42.059 0.077 0.000 0.947 240 L HN 0.880 nan 8.230 nan 0.000 0.452 241 H N -1.723 117.359 119.070 0.020 0.000 2.550 241 H HA 0.246 4.803 4.556 0.001 0.000 0.304 241 H C 1.545 176.886 175.328 0.021 0.000 1.086 241 H CA -0.046 56.016 56.048 0.022 0.000 1.089 241 H CB 0.209 29.987 29.762 0.027 0.000 1.528 241 H HN 0.065 nan 8.280 nan 0.000 0.539 242 R N -0.014 120.525 120.500 0.066 0.000 2.610 242 R HA 0.025 4.365 4.340 0.001 0.000 0.171 242 R C 1.993 178.300 176.300 0.011 0.000 0.892 242 R CA 0.818 56.949 56.100 0.051 0.000 1.086 242 R CB -0.627 29.700 30.300 0.045 0.000 1.320 242 R HN 0.408 nan 8.270 nan 0.000 0.582 243 L N 0.778 121.994 121.223 -0.011 0.000 2.040 243 L HA -0.126 4.215 4.340 0.001 0.000 0.228 243 L C 0.819 177.665 176.870 -0.041 0.000 1.092 243 L CA 1.829 56.648 54.840 -0.036 0.000 0.805 243 L CB -1.092 40.937 42.059 -0.050 0.000 0.905 243 L HN -0.017 nan 8.230 nan 0.000 0.443 244 L N 2.054 123.243 121.223 -0.057 0.000 2.342 244 L HA 0.237 4.578 4.340 0.001 0.000 0.285 244 L C 0.952 177.908 176.870 0.143 0.000 1.095 244 L CA -0.132 54.704 54.840 -0.008 0.000 0.843 244 L CB 0.382 42.298 42.059 -0.238 0.000 1.201 244 L HN 0.453 nan 8.230 nan 0.000 0.445 245 G N 4.061 112.966 108.800 0.176 0.000 2.424 245 G HA2 0.107 4.067 3.960 0.001 0.000 0.291 245 G HA3 0.107 4.067 3.960 0.001 0.000 0.291 245 G C 0.345 175.304 174.900 0.099 0.000 0.712 245 G CA 0.223 45.392 45.100 0.115 0.000 1.874 245 G HN 0.728 nan 8.290 nan 0.000 0.434 246 A N 3.134 126.008 122.820 0.090 0.000 2.318 246 A HA 0.781 5.102 4.320 0.001 0.000 0.324 246 A C -0.037 177.584 177.584 0.061 0.000 1.170 246 A CA -0.706 51.379 52.037 0.080 0.000 0.810 246 A CB 1.324 20.400 19.000 0.126 0.000 1.198 246 A HN 0.687 nan 8.150 nan 0.000 0.484 247 Q N 2.346 122.166 119.800 0.035 0.000 2.423 247 Q HA 0.551 4.892 4.340 0.001 0.000 0.278 247 Q C -2.650 173.364 176.000 0.022 0.000 1.097 247 Q CA -1.993 53.826 55.803 0.027 0.000 0.809 247 Q CB 2.169 30.913 28.738 0.012 0.000 1.391 247 Q HN 0.515 nan 8.270 nan 0.000 0.428 252 R N 2.138 122.618 120.500 -0.032 0.000 3.404 252 R HA 0.868 5.209 4.340 0.001 0.000 0.243 252 R C -0.822 175.420 176.300 -0.097 0.000 1.474 252 R CA -0.782 55.272 56.100 -0.076 0.000 1.018 252 R CB 1.080 31.313 30.300 -0.113 0.000 1.568 252 R HN 0.348 nan 8.270 nan 0.000 0.498 253 L N -0.025 121.069 121.223 -0.215 0.000 2.505 253 L HA 0.518 4.859 4.340 0.001 0.000 0.259 253 L C -0.935 175.669 176.870 -0.443 0.000 0.952 253 L CA -0.716 53.919 54.840 -0.342 0.000 0.840 253 L CB 2.843 44.604 42.059 -0.497 0.000 1.358 253 L HN 0.580 nan 8.230 nan 0.000 0.409 254 R N 1.420 121.759 120.500 -0.268 0.000 2.346 254 R HA 0.449 4.790 4.340 0.001 0.000 0.309 254 R C -0.180 176.149 176.300 0.049 0.000 1.119 254 R CA 0.005 56.078 56.100 -0.044 0.000 1.112 254 R CB 0.120 30.422 30.300 0.004 0.000 1.132 254 R HN 0.920 nan 8.270 nan 0.000 0.538 255 H N -0.400 118.839 119.070 0.282 0.000 1.798 255 H HA -0.162 4.395 4.556 0.001 0.000 0.115 255 H C 1.199 176.432 175.328 -0.158 0.000 1.261 255 H CA 0.302 56.362 56.048 0.021 0.000 0.454 255 H CB -0.786 28.980 29.762 0.007 0.000 0.320 255 H HN 0.443 nan 8.280 nan 0.000 0.207 256 H N 2.545 121.843 119.070 0.380 0.000 1.455 256 H HA -0.275 4.282 4.556 0.001 0.000 0.091 256 H C 0.776 176.169 175.328 0.108 0.000 1.182 256 H CA 2.168 58.357 56.048 0.235 0.000 1.900 256 H CB -1.968 27.767 29.762 -0.045 0.000 2.256 256 H HN 1.046 nan 8.280 nan 0.000 0.961 257 A N 1.329 123.847 122.820 -0.503 0.000 2.938 257 A HA 0.587 4.908 4.320 0.001 0.000 0.344 257 A C 0.838 178.184 177.584 -0.397 0.000 1.142 257 A CA 0.387 52.241 52.037 -0.305 0.000 0.841 257 A CB 0.091 19.029 19.000 -0.103 0.000 1.083 257 A HN 1.650 nan 8.150 nan 0.000 0.479 258 G N 1.323 109.937 108.800 -0.309 0.000 2.599 258 G HA2 0.165 4.125 3.960 0.001 0.000 0.440 258 G HA3 0.165 4.125 3.960 0.001 0.000 0.440 258 G C -0.857 173.947 174.900 -0.161 0.000 1.018 258 G CA -0.128 44.861 45.100 -0.184 0.000 1.311 258 G HN 0.833 nan 8.290 nan 0.000 0.604 259 N N -0.417 118.248 118.700 -0.059 0.000 3.340 259 N HA 0.481 5.222 4.740 0.001 0.000 0.361 259 N C -2.483 173.052 175.510 0.043 0.000 1.362 259 N CA 0.018 53.074 53.050 0.010 0.000 0.857 259 N CB 0.176 38.672 38.487 0.014 0.000 2.069 259 N HN 0.346 nan 8.380 nan 0.000 0.421 260 P HA 0.003 nan 4.420 nan 0.000 0.276 260 P C -0.129 177.154 177.300 -0.028 0.000 1.337 260 P CA 0.489 63.513 63.100 -0.127 0.000 0.958 260 P CB 0.339 31.965 31.700 -0.123 0.000 1.078 261 L N -3.284 117.899 121.223 -0.067 0.000 3.296 261 L HA -0.115 4.226 4.340 0.001 0.000 0.512 261 L C 0.014 176.960 176.870 0.127 0.000 1.304 261 L CA 0.023 54.862 54.840 -0.003 0.000 0.911 261 L CB -2.439 39.603 42.059 -0.029 0.000 1.851 261 L HN 0.620 nan 8.230 nan 0.000 0.764 262 H N 1.808 120.889 119.070 0.018 0.000 3.216 262 H HA 0.395 4.951 4.556 0.001 0.000 0.263 262 H C 0.113 175.462 175.328 0.035 0.000 1.601 262 H CA -0.356 55.716 56.048 0.040 0.000 1.509 262 H CB 0.082 29.862 29.762 0.030 0.000 1.759 262 H HN 0.319 nan 8.280 nan 0.000 0.533 263 L N -0.869 120.444 121.223 0.150 0.000 3.075 263 L HA 0.231 4.572 4.340 0.001 0.000 0.274 263 L C -0.571 176.289 176.870 -0.018 0.000 1.006 263 L CA -0.900 53.982 54.840 0.071 0.000 0.972 263 L CB 1.222 43.294 42.059 0.021 0.000 1.515 263 L HN 0.092 nan 8.230 nan 0.000 0.402 264 D N -0.174 120.210 120.400 -0.028 0.000 2.454 264 D HA 0.204 4.845 4.640 0.001 0.000 0.214 264 D C -0.011 176.210 176.300 -0.131 0.000 1.088 264 D CA 0.821 54.731 54.000 -0.150 0.000 0.855 264 D CB 2.450 43.289 40.800 0.065 0.000 1.025 264 D HN 0.324 nan 8.370 nan 0.000 0.502 265 V N 2.254 122.122 119.914 -0.075 0.000 2.488 265 V HA 0.426 4.547 4.120 0.001 0.000 0.293 265 V C -1.773 174.276 176.094 -0.075 0.000 1.027 265 V CA -0.818 61.439 62.300 -0.071 0.000 0.862 265 V CB 1.804 33.602 31.823 -0.042 0.000 1.008 265 V HN -0.052 nan 8.190 nan 0.000 0.428 266 L N 7.438 128.598 121.223 -0.105 0.000 2.325 266 L HA 0.834 5.175 4.340 0.001 0.000 0.278 266 L C -0.822 175.948 176.870 -0.168 0.000 1.023 266 L CA -0.091 54.676 54.840 -0.122 0.000 0.811 266 L CB 2.075 44.053 42.059 -0.135 0.000 1.249 266 L HN 0.491 nan 8.230 nan 0.000 0.431 267 V N 5.949 125.781 119.914 -0.136 0.000 2.385 267 V HA 0.344 4.464 4.120 0.001 0.000 0.277 267 V C -0.418 175.616 176.094 -0.100 0.000 1.012 267 V CA -0.624 61.595 62.300 -0.135 0.000 0.832 267 V CB 1.541 33.322 31.823 -0.070 0.000 1.028 267 V HN 0.561 nan 8.190 nan 0.000 0.436 268 V N 3.316 123.147 119.914 -0.140 0.000 2.546 268 V HA 0.451 4.572 4.120 0.001 0.000 0.284 268 V C -0.031 176.103 176.094 0.066 0.000 1.050 268 V CA -0.097 62.204 62.300 0.001 0.000 0.981 268 V CB 1.781 33.677 31.823 0.120 0.000 0.990 268 V HN 0.780 nan 8.190 nan 0.000 0.474 269 D N 2.121 122.561 120.400 0.068 0.000 2.374 269 D HA 0.330 4.971 4.640 0.001 0.000 0.239 269 D C 0.332 176.676 176.300 0.073 0.000 0.991 269 D CA -0.339 53.700 54.000 0.065 0.000 0.960 269 D CB 1.489 42.310 40.800 0.035 0.000 1.284 269 D HN 0.598 nan 8.370 nan 0.000 0.512 270 E N 0.331 120.566 120.200 0.057 0.000 2.637 270 E HA -0.244 4.107 4.350 0.001 0.000 0.265 270 E C 0.894 177.531 176.600 0.061 0.000 1.073 270 E CA 0.743 57.168 56.400 0.042 0.000 0.778 270 E CB -1.690 28.027 29.700 0.029 0.000 1.362 270 E HN 0.521 nan 8.360 nan 0.000 0.413 271 A N 0.605 123.485 122.820 0.100 0.000 1.958 271 A HA -0.277 4.044 4.320 0.001 0.000 0.221 271 A C 2.172 179.777 177.584 0.034 0.000 1.178 271 A CA 2.282 54.390 52.037 0.119 0.000 0.642 271 A CB -0.724 18.391 19.000 0.191 0.000 0.816 271 A HN 0.626 nan 8.150 nan 0.000 0.453 272 S N -0.748 114.959 115.700 0.012 0.000 2.547 272 S HA -0.116 4.355 4.470 0.001 0.000 0.255 272 S C 1.258 175.847 174.600 -0.018 0.000 0.977 272 S CA 1.617 59.806 58.200 -0.018 0.000 0.960 272 S CB -0.596 62.593 63.200 -0.018 0.000 0.746 272 S HN 0.609 nan 8.310 nan 0.000 0.532 273 M N 0.669 120.270 119.600 0.002 0.000 2.346 273 M HA 0.355 4.836 4.480 0.001 0.000 0.280 273 M C -0.678 175.637 176.300 0.025 0.000 1.075 273 M CA -0.112 55.190 55.300 0.002 0.000 0.989 273 M CB 0.427 33.031 32.600 0.006 0.000 1.447 273 M HN 0.173 nan 8.290 nan 0.000 0.511 274 I N 2.740 123.326 120.570 0.027 0.000 2.395 274 I HA 0.157 4.328 4.170 0.001 0.000 0.289 274 I C 0.098 176.229 176.117 0.023 0.000 1.023 274 I CA -0.123 61.200 61.300 0.040 0.000 1.350 274 I CB 0.324 38.345 38.000 0.035 0.000 1.409 274 I HN 0.266 nan 8.210 nan 0.000 0.507 275 D N 5.823 126.247 120.400 0.040 0.000 2.384 275 D HA 0.209 4.850 4.640 0.001 0.000 0.250 275 D C 1.142 177.466 176.300 0.039 0.000 1.029 275 D CA -0.799 53.222 54.000 0.036 0.000 0.990 275 D CB 2.204 43.030 40.800 0.043 0.000 1.175 275 D HN 0.321 nan 8.370 nan 0.000 0.532 276 L N 0.236 121.483 121.223 0.040 0.000 1.991 276 L HA -0.200 4.141 4.340 0.001 0.000 0.221 276 L C -0.662 176.231 176.870 0.038 0.000 1.079 276 L CA 2.244 57.110 54.840 0.042 0.000 0.778 276 L CB -1.336 40.754 42.059 0.052 0.000 0.893 276 L HN 0.400 nan 8.230 nan 0.000 0.437 277 P HA -0.241 nan 4.420 nan 0.000 0.216 277 P C 1.438 178.760 177.300 0.038 0.000 1.153 277 P CA 1.770 64.895 63.100 0.042 0.000 0.858 277 P CB -0.131 31.600 31.700 0.052 0.000 0.789 278 M N -1.363 118.264 119.600 0.045 0.000 2.218 278 M HA -0.134 4.347 4.480 0.001 0.000 0.262 278 M C 2.086 178.388 176.300 0.004 0.000 1.081 278 M CA 1.975 57.292 55.300 0.029 0.000 1.100 278 M CB -1.350 31.282 32.600 0.052 0.000 1.258 278 M HN -0.303 nan 8.290 nan 0.000 0.438 279 M N 1.039 120.653 119.600 0.023 0.000 4.029 279 M HA -0.353 4.127 4.480 0.001 0.000 0.292 279 M C 2.379 178.665 176.300 -0.025 0.000 1.018 279 M CA 2.838 58.155 55.300 0.029 0.000 1.040 279 M CB -2.048 30.587 32.600 0.058 0.000 1.213 279 M HN 0.815 nan 8.290 nan 0.000 0.652 280 S N 0.082 115.769 115.700 -0.021 0.000 2.545 280 S HA -0.340 4.131 4.470 0.001 0.000 0.311 280 S C 1.732 176.282 174.600 -0.083 0.000 1.239 280 S CA 2.518 60.685 58.200 -0.055 0.000 1.200 280 S CB -0.839 62.344 63.200 -0.028 0.000 1.217 280 S HN 0.479 nan 8.310 nan 0.000 0.441 281 R N 1.257 121.729 120.500 -0.047 0.000 2.062 281 R HA 0.358 4.699 4.340 0.001 0.000 0.229 281 R C 2.557 178.740 176.300 -0.194 0.000 1.128 281 R CA 1.219 57.303 56.100 -0.028 0.000 0.960 281 R CB -1.129 29.225 30.300 0.090 0.000 0.855 281 R HN 0.530 nan 8.270 nan 0.000 0.432 282 L N 1.375 122.466 121.223 -0.220 0.000 2.021 282 L HA -0.237 4.103 4.340 0.001 0.000 0.215 282 L C 2.199 178.900 176.870 -0.282 0.000 1.074 282 L CA 1.879 56.570 54.840 -0.248 0.000 0.760 282 L CB -0.400 41.602 42.059 -0.096 0.000 0.889 282 L HN 0.337 nan 8.230 nan 0.000 0.433 283 I N -2.550 117.805 120.570 -0.359 0.000 2.163 283 I HA -0.310 3.861 4.170 0.001 0.000 0.243 283 I C 1.742 177.467 176.117 -0.653 0.000 1.085 283 I CA 2.222 63.035 61.300 -0.812 0.000 1.347 283 I CB -0.608 36.743 38.000 -1.080 0.000 1.044 283 I HN 0.211 nan 8.210 nan 0.000 0.408 284 D N 1.513 121.694 120.400 -0.365 0.000 2.194 284 D HA 0.055 4.696 4.640 0.001 0.000 0.204 284 D C 2.288 178.496 176.300 -0.154 0.000 0.964 284 D CA 1.422 55.291 54.000 -0.219 0.000 0.846 284 D CB -0.024 40.718 40.800 -0.096 0.000 0.962 284 D HN 0.519 nan 8.370 nan 0.000 0.490 285 A N -0.015 122.715 122.820 -0.149 0.000 2.172 285 A HA 0.020 4.340 4.320 0.001 0.000 0.216 285 A C 0.818 178.319 177.584 -0.138 0.000 1.154 285 A CA 0.324 52.290 52.037 -0.118 0.000 0.701 285 A CB -0.459 18.317 19.000 -0.374 0.000 0.789 285 A HN 0.186 nan 8.150 nan 0.000 0.465 286 L N 1.095 122.209 121.223 -0.182 0.000 2.313 286 L HA 0.245 4.586 4.340 0.001 0.000 0.282 286 L C -2.335 174.479 176.870 -0.094 0.000 1.092 286 L CA -2.067 52.688 54.840 -0.141 0.000 0.831 286 L CB 0.898 42.864 42.059 -0.155 0.000 1.159 286 L HN 0.007 nan 8.230 nan 0.000 0.442 287 P HA -0.036 nan 4.420 nan 0.000 0.262 287 P C -0.188 177.109 177.300 -0.004 0.000 1.182 287 P CA 0.081 63.195 63.100 0.024 0.000 0.761 287 P CB 0.479 32.246 31.700 0.111 0.000 0.795 288 D N 0.639 121.069 120.400 0.051 0.000 2.315 288 D HA -0.216 4.425 4.640 0.001 0.000 0.211 288 D C 1.381 177.725 176.300 0.073 0.000 0.977 288 D CA 1.177 55.210 54.000 0.054 0.000 0.894 288 D CB -0.376 40.458 40.800 0.058 0.000 0.910 288 D HN 0.617 nan 8.370 nan 0.000 0.490 289 H N -0.755 118.322 119.070 0.010 0.000 2.526 289 H HA 0.499 5.056 4.556 0.001 0.000 0.274 289 H C 0.125 175.458 175.328 0.009 0.000 0.999 289 H CA -0.059 55.993 56.048 0.006 0.000 1.157 289 H CB -0.050 29.709 29.762 -0.004 0.000 1.407 289 H HN 0.018 nan 8.280 nan 0.000 0.568 290 A N 1.471 124.035 122.820 -0.427 0.000 2.279 290 A HA 0.612 4.933 4.320 0.001 0.000 0.303 290 A C -0.036 177.469 177.584 -0.132 0.000 1.108 290 A CA -0.759 51.058 52.037 -0.366 0.000 0.830 290 A CB 0.923 19.735 19.000 -0.312 0.000 1.106 290 A HN 0.449 nan 8.150 nan 0.000 0.493 291 R N 0.683 121.117 120.500 -0.109 0.000 2.439 291 R HA 0.516 4.857 4.340 0.001 0.000 0.310 291 R C -1.531 174.718 176.300 -0.085 0.000 0.955 291 R CA -0.450 55.612 56.100 -0.063 0.000 0.853 291 R CB 1.898 32.167 30.300 -0.053 0.000 1.171 291 R HN 0.529 nan 8.270 nan 0.000 0.449 292 V N 5.304 125.167 119.914 -0.084 0.000 2.472 292 V HA 0.478 4.599 4.120 0.001 0.000 0.290 292 V C 0.224 176.149 176.094 -0.283 0.000 1.037 292 V CA -0.643 61.516 62.300 -0.234 0.000 0.908 292 V CB 1.809 33.484 31.823 -0.248 0.000 0.985 292 V HN 0.651 nan 8.190 nan 0.000 0.454 293 I N 4.868 125.217 120.570 -0.367 0.000 2.464 293 I HA 0.399 4.570 4.170 0.001 0.000 0.277 293 I C -0.803 175.153 176.117 -0.269 0.000 1.040 293 I CA -0.057 61.115 61.300 -0.213 0.000 1.153 293 I CB 0.811 38.751 38.000 -0.099 0.000 1.274 293 I HN 0.429 nan 8.210 nan 0.000 0.469 294 F N 6.188 126.170 119.950 0.053 0.000 2.399 294 F HA 0.542 5.070 4.527 0.001 0.000 0.342 294 F C 0.159 175.970 175.800 0.019 0.000 1.106 294 F CA -0.358 57.669 58.000 0.046 0.000 1.196 294 F CB 0.922 39.958 39.000 0.060 0.000 1.163 294 F HN 0.168 nan 8.300 nan 0.000 0.547 295 L N 1.945 123.288 121.223 0.200 0.000 2.401 295 L HA 0.942 5.283 4.340 0.001 0.000 0.266 295 L C 0.023 176.947 176.870 0.090 0.000 0.991 295 L CA -0.593 54.311 54.840 0.107 0.000 0.818 295 L CB 2.126 44.224 42.059 0.066 0.000 1.321 295 L HN 0.833 nan 8.230 nan 0.000 0.413 296 G N 0.605 109.434 108.800 0.049 0.000 2.315 296 G HA2 0.229 4.190 3.960 0.001 0.000 0.294 296 G HA3 0.229 4.190 3.960 0.001 0.000 0.294 296 G C -2.471 172.431 174.900 0.003 0.000 1.300 296 G CA -0.541 44.575 45.100 0.026 0.000 0.843 296 G HN 0.406 nan 8.290 nan 0.000 0.527 297 D N -0.410 119.988 120.400 -0.002 0.000 2.414 297 D HA 0.362 5.003 4.640 0.001 0.000 0.232 297 D C 1.372 177.646 176.300 -0.044 0.000 1.070 297 D CA -0.742 53.253 54.000 -0.010 0.000 0.839 297 D CB 1.950 42.775 40.800 0.042 0.000 1.079 297 D HN 0.504 nan 8.370 nan 0.000 0.521 298 R N 2.693 123.141 120.500 -0.085 0.000 2.103 298 R HA -0.185 4.156 4.340 0.001 0.000 0.242 298 R C 0.097 176.314 176.300 -0.139 0.000 1.142 298 R CA 1.927 57.955 56.100 -0.120 0.000 0.960 298 R CB 0.171 30.381 30.300 -0.150 0.000 0.858 298 R HN 0.366 nan 8.270 nan 0.000 0.439 299 D N -0.017 120.270 120.400 -0.187 0.000 2.328 299 D HA -0.019 4.622 4.640 0.001 0.000 0.226 299 D C -0.195 176.009 176.300 -0.160 0.000 1.066 299 D CA 0.164 53.995 54.000 -0.281 0.000 0.861 299 D CB 0.195 40.642 40.800 -0.589 0.000 0.912 299 D HN 0.075 nan 8.370 nan 0.000 0.521 300 Q N 0.733 120.525 119.800 -0.014 0.000 2.304 300 Q HA 0.148 4.489 4.340 0.001 0.000 0.260 300 Q C 0.850 176.861 176.000 0.018 0.000 0.965 300 Q CA -0.334 55.520 55.803 0.086 0.000 0.898 300 Q CB 1.179 29.953 28.738 0.060 0.000 1.196 300 Q HN 0.107 nan 8.270 nan 0.000 0.402 301 L N 3.535 124.781 121.223 0.038 0.000 2.283 301 L HA -0.276 4.065 4.340 0.001 0.000 0.217 301 L C 1.416 178.261 176.870 -0.041 0.000 1.104 301 L CA 2.546 57.386 54.840 0.000 0.000 0.772 301 L CB -0.608 41.457 42.059 0.010 0.000 0.899 301 L HN 0.792 nan 8.230 nan 0.000 0.439 302 A N -2.207 120.577 122.820 -0.059 0.000 2.014 302 A HA -0.079 4.242 4.320 0.001 0.000 0.218 302 A C 2.258 179.808 177.584 -0.057 0.000 1.163 302 A CA 1.470 53.455 52.037 -0.086 0.000 0.652 302 A CB -0.522 18.426 19.000 -0.086 0.000 0.808 302 A HN 0.497 nan 8.150 nan 0.000 0.449 303 S N -0.779 114.892 115.700 -0.048 0.000 2.603 303 S HA 0.107 4.577 4.470 0.001 0.000 0.220 303 S C 1.109 175.678 174.600 -0.052 0.000 0.967 303 S CA 1.006 59.173 58.200 -0.055 0.000 0.920 303 S CB 0.194 63.353 63.200 -0.069 0.000 0.773 303 S HN 0.447 nan 8.310 nan 0.000 0.529 304 V N 0.176 120.066 119.914 -0.039 0.000 3.497 304 V HA 0.138 4.259 4.120 0.001 0.000 0.272 304 V C 0.503 176.598 176.094 0.002 0.000 1.474 304 V CA -0.445 61.838 62.300 -0.028 0.000 1.025 304 V CB -0.371 31.430 31.823 -0.037 0.000 0.820 304 V HN 0.446 nan 8.190 nan 0.000 0.437 305 E N 2.189 122.391 120.200 0.004 0.000 2.404 305 E HA 0.483 4.833 4.350 0.001 0.000 0.261 305 E C 0.436 177.071 176.600 0.058 0.000 1.074 305 E CA 0.061 56.484 56.400 0.037 0.000 0.917 305 E CB 0.701 30.415 29.700 0.022 0.000 0.965 305 E HN 0.354 nan 8.360 nan 0.000 0.433 306 A N 2.220 125.097 122.820 0.096 0.000 2.600 306 A HA 0.256 4.576 4.320 0.001 0.000 0.244 306 A C 1.439 179.060 177.584 0.062 0.000 1.016 306 A CA 0.770 52.886 52.037 0.131 0.000 0.778 306 A CB -1.134 17.781 19.000 -0.142 0.000 0.920 306 A HN 1.272 nan 8.150 nan 0.000 0.513 307 G N 0.801 109.651 108.800 0.083 0.000 2.195 307 G HA2 0.135 4.096 3.960 0.001 0.000 0.246 307 G HA3 0.135 4.096 3.960 0.001 0.000 0.246 307 G C 0.702 175.624 174.900 0.037 0.000 0.984 307 G CA 0.793 45.924 45.100 0.053 0.000 0.633 307 G HN 2.235 nan 8.290 nan 0.000 0.525 308 A N -0.789 122.047 122.820 0.027 0.000 2.267 308 A HA 0.901 5.222 4.320 0.001 0.000 0.271 308 A C 1.635 179.219 177.584 -0.001 0.000 1.131 308 A CA 1.523 53.562 52.037 0.004 0.000 0.818 308 A CB 0.880 19.873 19.000 -0.013 0.000 1.118 308 A HN 1.619 nan 8.150 nan 0.000 0.501 309 V N -4.254 115.645 119.914 -0.025 0.000 3.079 309 V HA 0.089 4.210 4.120 0.001 0.000 0.232 309 V C 1.650 177.695 176.094 -0.082 0.000 1.594 309 V CA 0.677 62.957 62.300 -0.033 0.000 1.153 309 V CB -1.152 30.663 31.823 -0.012 0.000 1.049 309 V HN 0.684 nan 8.190 nan 0.000 0.448 310 L N 3.155 124.314 121.223 -0.106 0.000 2.151 310 L HA 0.010 4.350 4.340 0.001 0.000 0.215 310 L C 2.240 179.025 176.870 -0.141 0.000 1.084 310 L CA 2.799 57.551 54.840 -0.147 0.000 0.764 310 L CB -1.079 40.911 42.059 -0.114 0.000 0.891 310 L HN 0.465 nan 8.230 nan 0.000 0.435 311 G N -1.127 107.608 108.800 -0.109 0.000 2.511 311 G HA2 -0.316 3.645 3.960 0.001 0.000 0.216 311 G HA3 -0.316 3.645 3.960 0.001 0.000 0.216 311 G C 1.157 175.974 174.900 -0.138 0.000 1.218 311 G CA 0.954 45.984 45.100 -0.116 0.000 0.788 311 G HN 0.468 nan 8.290 nan 0.000 0.560 312 D N 0.464 120.799 120.400 -0.108 0.000 2.123 312 D HA -0.088 4.553 4.640 0.001 0.000 0.196 312 D C 2.441 178.668 176.300 -0.122 0.000 0.992 312 D CA 0.645 54.581 54.000 -0.106 0.000 0.833 312 D CB -0.168 40.613 40.800 -0.032 0.000 0.954 312 D HN 0.387 nan 8.370 nan 0.000 0.455 313 I N 0.216 120.719 120.570 -0.113 0.000 2.208 313 I HA -0.275 3.896 4.170 0.001 0.000 0.245 313 I C 1.553 177.472 176.117 -0.331 0.000 1.097 313 I CA 0.771 61.933 61.300 -0.230 0.000 1.363 313 I CB -0.175 37.574 38.000 -0.419 0.000 1.051 313 I HN 0.149 nan 8.210 nan 0.000 0.413 314 C N 0.815 119.950 119.300 -0.275 0.000 2.626 314 C HA 0.264 4.725 4.460 0.001 0.000 0.266 314 C C 2.879 177.717 174.990 -0.254 0.000 1.317 314 C CA 0.089 58.953 59.018 -0.257 0.000 1.716 314 C CB -1.508 26.105 27.740 -0.212 0.000 1.819 314 C HN 0.522 nan 8.230 nan 0.000 0.578 315 A N 0.017 122.655 122.820 -0.305 0.000 1.877 315 A HA -0.177 4.143 4.320 0.001 0.000 0.216 315 A C 1.577 178.963 177.584 -0.330 0.000 1.186 315 A CA 1.292 53.118 52.037 -0.351 0.000 0.620 315 A CB -0.873 17.843 19.000 -0.474 0.000 0.822 315 A HN 0.703 nan 8.150 nan 0.000 0.443 316 Y N -0.073 120.112 120.300 -0.192 0.000 2.542 316 Y HA 0.101 4.652 4.550 0.001 0.000 0.326 316 Y C 2.314 178.068 175.900 -0.243 0.000 1.218 316 Y CA -0.229 57.747 58.100 -0.207 0.000 1.277 316 Y CB -0.245 38.061 38.460 -0.256 0.000 1.064 316 Y HN 0.422 nan 8.280 nan 0.000 0.499 317 A N 0.667 123.403 122.820 -0.140 0.000 1.855 317 A HA -0.161 4.160 4.320 0.001 0.000 0.213 317 A C 1.983 179.451 177.584 -0.194 0.000 1.195 317 A CA 1.077 52.983 52.037 -0.218 0.000 0.610 317 A CB -0.453 18.405 19.000 -0.238 0.000 0.837 317 A HN 0.395 nan 8.150 nan 0.000 0.444 318 N N 0.876 119.486 118.700 -0.149 0.000 2.586 318 N HA -0.138 4.602 4.740 0.001 0.000 0.191 318 N C 1.472 176.933 175.510 -0.081 0.000 1.085 318 N CA 1.143 54.121 53.050 -0.119 0.000 0.921 318 N CB -0.322 38.105 38.487 -0.100 0.000 0.954 318 N HN 0.540 nan 8.380 nan 0.000 0.448 319 A N 0.370 123.148 122.820 -0.069 0.000 2.123 319 A HA 0.364 4.685 4.320 0.001 0.000 0.214 319 A C 1.237 178.776 177.584 -0.074 0.000 1.152 319 A CA 0.882 52.891 52.037 -0.047 0.000 0.728 319 A CB -0.353 18.632 19.000 -0.025 0.000 0.814 319 A HN 0.387 nan 8.150 nan 0.000 0.464 320 G N -1.835 106.882 108.800 -0.139 0.000 2.829 320 G HA2 -0.089 3.871 3.960 0.001 0.000 0.628 320 G HA3 -0.089 3.871 3.960 0.001 0.000 0.628 320 G C -0.307 174.497 174.900 -0.160 0.000 1.412 320 G CA -0.341 44.684 45.100 -0.125 0.000 0.864 320 G HN 0.424 nan 8.290 nan 0.000 0.544 321 F N 0.581 120.525 119.950 -0.011 0.000 2.390 321 F HA 0.558 5.085 4.527 0.001 0.000 0.307 321 F C 1.820 177.604 175.800 -0.026 0.000 1.227 321 F CA 0.478 58.466 58.000 -0.019 0.000 1.179 321 F CB 0.555 39.549 39.000 -0.010 0.000 1.280 321 F HN 0.785 nan 8.300 nan 0.000 0.548 322 T N -1.113 113.555 114.554 0.190 0.000 2.868 322 T HA 0.455 4.806 4.350 0.001 0.000 0.292 322 T C 1.018 175.764 174.700 0.078 0.000 1.028 322 T CA -0.392 61.759 62.100 0.085 0.000 1.059 322 T CB 1.247 70.145 68.868 0.050 0.000 0.991 322 T HN 0.700 nan 8.240 nan 0.000 0.531 323 A N 0.880 123.725 122.820 0.041 0.000 1.869 323 A HA -0.187 4.134 4.320 0.001 0.000 0.218 323 A C 2.286 179.871 177.584 0.002 0.000 1.203 323 A CA 2.221 54.272 52.037 0.024 0.000 0.638 323 A CB -1.411 17.599 19.000 0.017 0.000 0.831 323 A HN 1.074 nan 8.150 nan 0.000 0.450 324 E N -1.257 118.942 120.200 -0.002 0.000 2.118 324 E HA -0.260 4.090 4.350 0.001 0.000 0.195 324 E C 2.317 178.896 176.600 -0.035 0.000 0.992 324 E CA 1.147 57.536 56.400 -0.019 0.000 0.804 324 E CB -0.088 29.601 29.700 -0.018 0.000 0.741 324 E HN 0.358 nan 8.360 nan 0.000 0.458 325 R N 0.219 120.710 120.500 -0.015 0.000 2.062 325 R HA 0.016 4.357 4.340 0.001 0.000 0.229 325 R C 2.192 178.392 176.300 -0.166 0.000 1.128 325 R CA 1.244 57.319 56.100 -0.042 0.000 0.960 325 R CB -0.828 29.515 30.300 0.073 0.000 0.855 325 R HN 0.267 nan 8.270 nan 0.000 0.432 326 A N 0.653 123.394 122.820 -0.131 0.000 1.986 326 A HA -0.189 4.132 4.320 0.001 0.000 0.220 326 A C 2.284 179.711 177.584 -0.262 0.000 1.171 326 A CA 1.604 53.493 52.037 -0.246 0.000 0.640 326 A CB -0.366 18.584 19.000 -0.083 0.000 0.811 326 A HN 0.268 nan 8.150 nan 0.000 0.451 327 R N -1.289 119.115 120.500 -0.160 0.000 2.075 327 R HA -0.059 4.282 4.340 0.001 0.000 0.226 327 R C 2.554 178.775 176.300 -0.132 0.000 1.114 327 R CA 1.295 57.318 56.100 -0.129 0.000 0.972 327 R CB -0.279 29.983 30.300 -0.065 0.000 0.869 327 R HN 0.753 nan 8.270 nan 0.000 0.437 328 Q N 0.689 120.415 119.800 -0.123 0.000 2.084 328 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 328 Q C 1.968 177.882 176.000 -0.144 0.000 0.978 328 Q CA 1.396 57.135 55.803 -0.106 0.000 0.844 328 Q CB 0.028 28.719 28.738 -0.077 0.000 0.898 328 Q HN 0.350 nan 8.270 nan 0.000 0.426 329 L N 0.568 121.657 121.223 -0.224 0.000 2.056 329 L HA -0.147 4.194 4.340 0.001 0.000 0.207 329 L C 2.574 179.295 176.870 -0.249 0.000 1.078 329 L CA 1.389 56.067 54.840 -0.269 0.000 0.749 329 L CB -0.490 41.297 42.059 -0.454 0.000 0.901 329 L HN 0.286 nan 8.230 nan 0.000 0.433 330 S N -0.766 114.775 115.700 -0.265 0.000 2.507 330 S HA -0.164 4.307 4.470 0.001 0.000 0.235 330 S C 1.945 176.459 174.600 -0.144 0.000 0.988 330 S CA 0.641 58.705 58.200 -0.226 0.000 0.944 330 S CB -0.291 62.756 63.200 -0.254 0.000 0.762 330 S HN 0.375 nan 8.310 nan 0.000 0.526 331 R N 0.696 121.120 120.500 -0.126 0.000 2.090 331 R HA 0.288 4.628 4.340 0.001 0.000 0.219 331 R C 2.096 178.348 176.300 -0.080 0.000 1.100 331 R CA 0.637 56.687 56.100 -0.084 0.000 0.991 331 R CB -0.251 30.007 30.300 -0.069 0.000 0.893 331 R HN 0.406 nan 8.270 nan 0.000 0.443 332 L N 0.453 121.619 121.223 -0.095 0.000 2.056 332 L HA -0.041 4.300 4.340 0.001 0.000 0.207 332 L C 1.284 178.097 176.870 -0.094 0.000 1.078 332 L CA 1.132 55.922 54.840 -0.083 0.000 0.749 332 L CB -0.497 41.509 42.059 -0.088 0.000 0.901 332 L HN 0.261 nan 8.230 nan 0.000 0.433 333 T N -2.683 111.792 114.554 -0.133 0.000 2.875 333 T HA 0.390 4.741 4.350 0.001 0.000 0.284 333 T C 0.974 175.602 174.700 -0.120 0.000 0.995 333 T CA -0.266 61.746 62.100 -0.146 0.000 1.060 333 T CB 1.756 70.492 68.868 -0.220 0.000 0.967 333 T HN 0.184 nan 8.240 nan 0.000 0.476 334 G N 2.098 110.842 108.800 -0.093 0.000 3.135 334 G HA2 0.317 4.278 3.960 0.001 0.000 0.208 334 G HA3 0.317 4.278 3.960 0.001 0.000 0.208 334 G C 0.457 175.309 174.900 -0.079 0.000 1.212 334 G CA 0.272 45.330 45.100 -0.070 0.000 0.928 334 G HN 1.157 nan 8.290 nan 0.000 0.500 335 T N -3.430 111.053 114.554 -0.119 0.000 2.876 335 T HA 0.402 4.753 4.350 0.001 0.000 0.289 335 T C -0.427 174.201 174.700 -0.120 0.000 1.014 335 T CA -0.923 61.104 62.100 -0.122 0.000 0.986 335 T CB 2.103 70.854 68.868 -0.195 0.000 1.021 335 T HN 0.208 nan 8.240 nan 0.000 0.458 336 H N 1.685 120.667 119.070 -0.147 0.000 2.897 336 H HA 0.349 4.906 4.556 0.001 0.000 0.347 336 H C -1.198 174.034 175.328 -0.160 0.000 1.068 336 H CA 0.151 56.123 56.048 -0.126 0.000 1.426 336 H CB 0.707 30.419 29.762 -0.083 0.000 1.410 336 H HN 0.469 nan 8.280 nan 0.000 0.597 337 V N 8.668 128.106 119.914 -0.793 0.000 2.376 337 V HA 0.193 4.313 4.120 0.001 0.000 0.287 337 V C -1.793 174.000 176.094 -0.501 0.000 1.015 337 V CA -1.408 60.576 62.300 -0.528 0.000 0.834 337 V CB 1.421 32.973 31.823 -0.453 0.000 1.001 337 V HN 0.784 nan 8.190 nan 0.000 0.428 338 P HA 0.134 nan 4.420 nan 0.000 0.276 338 P C -0.058 177.305 177.300 0.105 0.000 1.264 338 P CA 0.104 63.245 63.100 0.069 0.000 0.815 338 P CB 0.913 32.737 31.700 0.207 0.000 1.121 339 A N -1.536 121.361 122.820 0.129 0.000 2.898 339 A HA 0.399 4.720 4.320 0.001 0.000 0.192 339 A C 0.743 178.377 177.584 0.084 0.000 1.090 339 A CA 0.111 52.223 52.037 0.125 0.000 1.273 339 A CB -0.861 18.193 19.000 0.090 0.000 1.224 339 A HN 0.604 nan 8.150 nan 0.000 0.561 340 G N 2.562 111.408 108.800 0.077 0.000 2.317 340 G HA2 0.467 4.428 3.960 0.001 0.000 0.286 340 G HA3 0.467 4.428 3.960 0.001 0.000 0.286 340 G C 0.696 175.610 174.900 0.024 0.000 0.839 340 G CA 1.711 46.839 45.100 0.046 0.000 1.389 340 G HN 2.383 nan 8.290 nan 0.000 0.344 341 T N -1.445 113.123 114.554 0.023 0.000 0.732 341 T HA -0.016 4.335 4.350 0.001 0.000 0.754 341 T C 0.398 175.099 174.700 0.002 0.000 0.989 341 T CA 0.130 62.236 62.100 0.011 0.000 3.981 341 T CB -1.232 67.638 68.868 0.004 0.000 2.250 341 T HN 1.888 nan 8.240 nan 0.000 0.392 342 G N 3.621 112.422 108.800 0.002 0.000 2.770 342 G HA2 0.509 4.469 3.960 0.001 0.000 0.307 342 G HA3 0.509 4.469 3.960 0.001 0.000 0.307 342 G C 0.902 175.788 174.900 -0.024 0.000 0.863 342 G CA 0.184 45.279 45.100 -0.008 0.000 1.595 342 G HN 1.429 nan 8.290 nan 0.000 0.496 343 T N 0.062 114.591 114.554 -0.043 0.000 3.203 343 T HA 0.518 4.869 4.350 0.001 0.000 0.183 343 T C 0.338 174.985 174.700 -0.088 0.000 0.730 343 T CA 0.253 62.316 62.100 -0.061 0.000 2.473 343 T CB 0.431 69.255 68.868 -0.073 0.000 2.163 343 T HN 0.483 nan 8.240 nan 0.000 0.381 344 E N -1.503 118.605 120.200 -0.154 0.000 2.470 344 E HA 0.485 4.835 4.350 0.001 0.000 0.287 344 E C -1.104 175.319 176.600 -0.294 0.000 1.126 344 E CA 0.013 56.311 56.400 -0.170 0.000 0.902 344 E CB 0.896 30.531 29.700 -0.108 0.000 1.196 344 E HN 0.912 nan 8.360 nan 0.000 0.430 345 A N 2.330 125.012 122.820 -0.230 0.000 2.407 345 A HA 0.508 4.829 4.320 0.001 0.000 0.220 345 A C 1.311 178.806 177.584 -0.150 0.000 2.882 345 A CA 0.932 52.817 52.037 -0.254 0.000 1.564 345 A CB -1.291 17.420 19.000 -0.482 0.000 0.204 345 A HN 1.637 nan 8.150 nan 0.000 0.548 346 A N 0.418 123.173 122.820 -0.108 0.000 3.958 346 A HA -0.460 3.861 4.320 0.001 0.000 0.329 346 A C 2.271 179.829 177.584 -0.043 0.000 1.874 346 A CA 3.272 55.276 52.037 -0.056 0.000 0.886 346 A CB -2.025 16.958 19.000 -0.028 0.000 1.111 346 A HN 1.609 nan 8.150 nan 0.000 0.396 347 S N -0.738 114.952 115.700 -0.016 0.000 2.428 347 S HA -0.180 4.291 4.470 0.001 0.000 0.240 347 S C 1.714 176.302 174.600 -0.021 0.000 1.036 347 S CA 1.687 59.890 58.200 0.005 0.000 1.009 347 S CB -0.446 62.772 63.200 0.030 0.000 0.803 347 S HN 0.476 nan 8.310 nan 0.000 0.486 348 L N 0.306 121.474 121.223 -0.092 0.000 2.115 348 L HA 0.036 4.377 4.340 0.001 0.000 0.200 348 L C 2.503 179.259 176.870 -0.190 0.000 1.094 348 L CA 0.865 55.592 54.840 -0.189 0.000 0.769 348 L CB -0.276 41.537 42.059 -0.410 0.000 0.931 348 L HN 0.158 nan 8.230 nan 0.000 0.455 349 R N 0.148 120.526 120.500 -0.203 0.000 2.119 349 R HA -0.215 4.126 4.340 0.001 0.000 0.246 349 R C 1.414 177.588 176.300 -0.209 0.000 1.146 349 R CA 1.844 57.809 56.100 -0.225 0.000 0.962 349 R CB -0.472 29.716 30.300 -0.186 0.000 0.863 349 R HN 0.411 nan 8.270 nan 0.000 0.442 350 D N -0.426 119.947 120.400 -0.045 0.000 2.363 350 D HA -0.025 4.615 4.640 0.001 0.000 0.226 350 D C 0.570 176.963 176.300 0.156 0.000 1.020 350 D CA 0.907 54.988 54.000 0.135 0.000 0.892 350 D CB 0.318 41.191 40.800 0.123 0.000 0.900 350 D HN 0.308 nan 8.370 nan 0.000 0.531 351 S N -1.108 114.615 115.700 0.039 0.000 3.009 351 S HA 0.235 4.706 4.470 0.001 0.000 0.254 351 S C 0.243 174.843 174.600 0.001 0.000 1.004 351 S CA -0.545 57.692 58.200 0.063 0.000 1.119 351 S CB 0.412 63.643 63.200 0.051 0.000 1.075 351 S HN -0.018 nan 8.310 nan 0.000 0.618 352 L N 1.405 122.567 121.223 -0.101 0.000 2.344 352 L HA 0.724 5.065 4.340 0.001 0.000 0.272 352 L C -0.671 176.109 176.870 -0.150 0.000 1.035 352 L CA -0.768 53.974 54.840 -0.163 0.000 0.807 352 L CB 1.846 43.747 42.059 -0.264 0.000 1.237 352 L HN 0.443 nan 8.230 nan 0.000 0.442 353 C N 4.117 123.359 119.300 -0.097 0.000 3.029 353 C HA 0.379 4.840 4.460 0.001 0.000 0.396 353 C C -1.113 173.841 174.990 -0.060 0.000 1.072 353 C CA -0.911 58.091 59.018 -0.027 0.000 1.269 353 C CB 0.193 28.023 27.740 0.150 0.000 1.684 353 C HN 0.553 nan 8.230 nan 0.000 0.510 354 L N 5.620 126.749 121.223 -0.156 0.000 2.289 354 L HA 0.767 5.108 4.340 0.001 0.000 0.285 354 L C -0.007 176.744 176.870 -0.199 0.000 1.049 354 L CA -0.349 54.388 54.840 -0.171 0.000 0.804 354 L CB 0.260 42.185 42.059 -0.223 0.000 1.195 354 L HN 0.451 nan 8.230 nan 0.000 0.428 355 L N 2.321 123.489 121.223 -0.091 0.000 2.399 355 L HA 0.664 5.005 4.340 0.001 0.000 0.265 355 L C 0.028 176.853 176.870 -0.076 0.000 1.089 355 L CA -0.559 54.264 54.840 -0.028 0.000 0.802 355 L CB 1.068 43.163 42.059 0.060 0.000 1.180 355 L HN 0.612 nan 8.230 nan 0.000 0.454 356 Q N 0.346 120.132 119.800 -0.023 0.000 2.433 356 Q HA 0.388 4.729 4.340 0.001 0.000 0.279 356 Q C -1.000 175.038 176.000 0.063 0.000 1.105 356 Q CA -0.964 54.830 55.803 -0.016 0.000 0.815 356 Q CB 2.146 30.851 28.738 -0.055 0.000 1.403 356 Q HN 0.230 nan 8.270 nan 0.000 0.435 357 K N 0.240 120.668 120.400 0.047 0.000 2.414 357 K HA 0.186 4.507 4.320 0.001 0.000 0.272 357 K C -0.377 176.285 176.600 0.103 0.000 0.993 357 K CA 0.380 56.704 56.287 0.062 0.000 0.964 357 K CB 0.365 32.889 32.500 0.040 0.000 0.925 357 K HN 0.722 nan 8.250 nan 0.000 0.487 358 S N 2.412 118.181 115.700 0.115 0.000 2.495 358 S HA 0.253 4.724 4.470 0.001 0.000 0.273 358 S C -0.470 174.253 174.600 0.205 0.000 1.156 358 S CA -0.561 57.733 58.200 0.157 0.000 1.032 358 S CB -0.140 63.149 63.200 0.148 0.000 1.160 358 S HN 0.515 nan 8.310 nan 0.000 0.489 359 Y N 2.035 122.368 120.300 0.054 0.000 2.313 359 Y HA 0.687 5.238 4.550 0.001 0.000 0.332 359 Y C 0.209 176.133 175.900 0.041 0.000 1.071 359 Y CA -1.073 57.057 58.100 0.050 0.000 1.169 359 Y CB 0.311 38.803 38.460 0.055 0.000 1.192 359 Y HN 0.575 nan 8.280 nan 0.000 0.487 360 R N 4.504 124.986 120.500 -0.030 0.000 2.741 360 R HA 0.220 4.561 4.340 0.001 0.000 0.276 360 R C -1.645 174.605 176.300 -0.082 0.000 1.028 360 R CA -0.841 55.114 56.100 -0.241 0.000 0.865 360 R CB 0.872 31.084 30.300 -0.146 0.000 1.268 360 R HN 0.631 nan 8.270 nan 0.000 0.475 361 F N -0.453 119.411 119.950 -0.143 0.000 2.399 361 F HA 0.681 5.209 4.527 0.001 0.000 0.328 361 F C 0.897 176.696 175.800 -0.001 0.000 1.084 361 F CA 0.429 58.401 58.000 -0.046 0.000 1.053 361 F CB 0.965 39.929 39.000 -0.060 0.000 1.209 361 F HN 0.828 nan 8.300 nan 0.000 0.502 362 G N 2.061 111.134 108.800 0.455 0.000 2.972 362 G HA2 0.022 3.983 3.960 0.001 0.000 0.265 362 G HA3 0.022 3.983 3.960 0.001 0.000 0.265 362 G C -0.229 174.745 174.900 0.124 0.000 1.506 362 G CA 0.058 45.326 45.100 0.281 0.000 1.016 362 G HN 1.355 nan 8.290 nan 0.000 0.563 363 S N -1.485 114.232 115.700 0.028 0.000 2.755 363 S HA 0.598 5.069 4.470 0.001 0.000 0.286 363 S C -0.462 174.119 174.600 -0.031 0.000 1.207 363 S CA 0.415 58.630 58.200 0.026 0.000 0.892 363 S CB 1.707 64.950 63.200 0.071 0.000 1.240 363 S HN 0.842 nan 8.310 nan 0.000 0.525 364 D N 0.300 120.676 120.400 -0.040 0.000 2.525 364 D HA 0.348 4.988 4.640 0.001 0.000 0.231 364 D C -0.042 176.186 176.300 -0.120 0.000 1.216 364 D CA 0.096 54.053 54.000 -0.073 0.000 0.813 364 D CB 0.406 41.171 40.800 -0.058 0.000 1.108 364 D HN 0.361 nan 8.370 nan 0.000 0.524 365 S N -0.147 115.481 115.700 -0.120 0.000 2.519 365 S HA 0.260 4.731 4.470 0.001 0.000 0.282 365 S C 1.347 175.646 174.600 -0.502 0.000 1.322 365 S CA 1.271 59.298 58.200 -0.288 0.000 1.024 365 S CB -0.073 63.118 63.200 -0.015 0.000 0.777 365 S HN 0.682 nan 8.310 nan 0.000 0.483 366 G N 1.516 109.638 108.800 -1.131 0.000 2.652 366 G HA2 -0.297 3.664 3.960 0.001 0.000 0.278 366 G HA3 -0.297 3.664 3.960 0.001 0.000 0.278 366 G C 0.761 175.362 174.900 -0.499 0.000 1.263 366 G CA 0.271 44.843 45.100 -0.880 0.000 0.966 366 G HN 0.650 nan 8.290 nan 0.000 0.544 367 I N 2.436 122.819 120.570 -0.312 0.000 2.208 367 I HA -0.088 4.083 4.170 0.001 0.000 0.245 367 I C 3.124 179.105 176.117 -0.227 0.000 1.097 367 I CA 2.001 63.157 61.300 -0.240 0.000 1.363 367 I CB -0.886 36.997 38.000 -0.196 0.000 1.051 367 I HN 0.629 nan 8.210 nan 0.000 0.413 368 G N 0.032 108.701 108.800 -0.219 0.000 2.587 368 G HA2 -0.353 3.608 3.960 0.001 0.000 0.217 368 G HA3 -0.353 3.608 3.960 0.001 0.000 0.217 368 G C 1.485 176.291 174.900 -0.156 0.000 1.240 368 G CA 0.902 45.903 45.100 -0.166 0.000 0.794 368 G HN 0.261 nan 8.290 nan 0.000 0.580 369 Q N -0.452 119.224 119.800 -0.207 0.000 2.062 369 Q HA -0.127 4.214 4.340 0.001 0.000 0.209 369 Q C 2.493 178.413 176.000 -0.132 0.000 0.996 369 Q CA 1.547 57.254 55.803 -0.161 0.000 0.859 369 Q CB -0.655 27.959 28.738 -0.206 0.000 0.920 369 Q HN 0.428 nan 8.270 nan 0.000 0.415 370 L N 0.012 121.126 121.223 -0.180 0.000 1.990 370 L HA -0.199 4.142 4.340 0.001 0.000 0.213 370 L C 2.015 178.839 176.870 -0.077 0.000 1.072 370 L CA 2.489 57.249 54.840 -0.132 0.000 0.755 370 L CB -1.263 40.698 42.059 -0.162 0.000 0.889 370 L HN 0.235 nan 8.230 nan 0.000 0.432 371 A N -0.489 122.275 122.820 -0.092 0.000 1.892 371 A HA -0.223 4.097 4.320 0.001 0.000 0.218 371 A C 2.453 180.114 177.584 0.130 0.000 1.188 371 A CA 2.602 54.622 52.037 -0.028 0.000 0.631 371 A CB -1.385 17.541 19.000 -0.123 0.000 0.822 371 A HN 0.668 nan 8.150 nan 0.000 0.447 372 A N -0.278 122.570 122.820 0.048 0.000 1.835 372 A HA 0.135 4.455 4.320 0.001 0.000 0.215 372 A C 2.591 180.183 177.584 0.014 0.000 1.199 372 A CA 2.539 54.598 52.037 0.037 0.000 0.615 372 A CB -1.328 17.670 19.000 -0.002 0.000 0.838 372 A HN 1.249 nan 8.150 nan 0.000 0.444 373 A N -0.182 122.633 122.820 -0.008 0.000 1.948 373 A HA -0.128 4.193 4.320 0.001 0.000 0.220 373 A C 1.965 179.544 177.584 -0.010 0.000 1.177 373 A CA 1.755 53.781 52.037 -0.018 0.000 0.636 373 A CB -0.622 18.359 19.000 -0.032 0.000 0.815 373 A HN 0.446 nan 8.150 nan 0.000 0.449 374 I N 0.665 121.245 120.570 0.015 0.000 2.335 374 I HA -0.186 3.984 4.170 0.001 0.000 0.251 374 I C 1.288 177.417 176.117 0.020 0.000 1.129 374 I CA 1.172 62.493 61.300 0.036 0.000 1.402 374 I CB -1.431 36.626 38.000 0.094 0.000 1.069 374 I HN 0.295 nan 8.210 nan 0.000 0.424 375 N N 0.723 119.423 118.700 0.000 0.000 2.485 375 N HA -0.054 4.687 4.740 0.001 0.000 0.199 375 N C 1.122 176.575 175.510 -0.094 0.000 1.236 375 N CA 0.360 53.342 53.050 -0.113 0.000 0.852 375 N CB 0.389 38.765 38.487 -0.185 0.000 1.018 375 N HN 0.355 nan 8.380 nan 0.000 0.457 376 R N -1.608 118.858 120.500 -0.057 0.000 2.972 376 R HA 0.247 4.588 4.340 0.001 0.000 0.091 376 R C 0.062 176.340 176.300 -0.037 0.000 0.518 376 R CA -0.076 55.993 56.100 -0.052 0.000 0.321 376 R CB -0.691 29.578 30.300 -0.051 0.000 0.284 376 R HN 0.016 nan 8.270 nan 0.000 0.318 377 G N 0.750 109.532 108.800 -0.030 0.000 2.425 377 G HA2 0.230 4.191 3.960 0.001 0.000 0.302 377 G HA3 0.230 4.191 3.960 0.001 0.000 0.302 377 G C 0.296 175.183 174.900 -0.021 0.000 1.159 377 G CA -0.179 44.907 45.100 -0.023 0.000 0.865 377 G HN 0.295 nan 8.290 nan 0.000 0.515 378 D N 0.819 121.209 120.400 -0.017 0.000 2.120 378 D HA -0.146 4.495 4.640 0.001 0.000 0.191 378 D C 2.365 178.654 176.300 -0.018 0.000 0.994 378 D CA 1.312 55.303 54.000 -0.016 0.000 0.838 378 D CB 0.096 40.893 40.800 -0.006 0.000 0.976 378 D HN 0.518 nan 8.370 nan 0.000 0.447 379 K N 0.160 120.556 120.400 -0.006 0.000 2.163 379 K HA -0.197 4.124 4.320 0.001 0.000 0.210 379 K C 2.138 178.731 176.600 -0.013 0.000 1.048 379 K CA 1.884 58.172 56.287 0.000 0.000 0.928 379 K CB -0.480 32.026 32.500 0.009 0.000 0.716 379 K HN 0.232 nan 8.250 nan 0.000 0.459 380 T N 1.147 115.690 114.554 -0.018 0.000 2.614 380 T HA -0.148 4.203 4.350 0.001 0.000 0.263 380 T C 2.202 176.873 174.700 -0.048 0.000 1.055 380 T CA 1.292 63.378 62.100 -0.023 0.000 1.162 380 T CB -0.595 68.260 68.868 -0.021 0.000 0.863 380 T HN 0.354 nan 8.240 nan 0.000 0.414 381 A N 1.113 123.900 122.820 -0.056 0.000 2.042 381 A HA -0.092 4.229 4.320 0.001 0.000 0.222 381 A C 2.548 180.047 177.584 -0.142 0.000 1.167 381 A CA 1.711 53.699 52.037 -0.081 0.000 0.649 381 A CB -1.217 17.746 19.000 -0.063 0.000 0.809 381 A HN 0.387 nan 8.150 nan 0.000 0.457 382 V N -0.223 119.603 119.914 -0.147 0.000 2.231 382 V HA -0.181 3.939 4.120 0.001 0.000 0.240 382 V C 2.009 177.810 176.094 -0.488 0.000 1.039 382 V CA 2.019 64.156 62.300 -0.273 0.000 0.998 382 V CB -0.654 31.108 31.823 -0.101 0.000 0.639 382 V HN 0.482 nan 8.190 nan 0.000 0.451 383 K N 0.439 120.709 120.400 -0.216 0.000 2.611 383 K HA -0.009 4.312 4.320 0.001 0.000 0.193 383 K C 1.557 178.119 176.600 -0.064 0.000 1.026 383 K CA 1.023 57.241 56.287 -0.115 0.000 1.063 383 K CB -0.218 32.315 32.500 0.055 0.000 0.839 383 K HN 0.647 nan 8.250 nan 0.000 0.505 384 T N -1.686 112.812 114.554 -0.094 0.000 3.037 384 T HA 0.009 4.360 4.350 0.001 0.000 0.252 384 T C 1.940 176.706 174.700 0.110 0.000 1.073 384 T CA 0.058 62.207 62.100 0.081 0.000 1.091 384 T CB 0.106 68.999 68.868 0.042 0.000 0.935 384 T HN -0.093 nan 8.240 nan 0.000 0.488 385 V N 1.292 121.123 119.914 -0.139 0.000 2.239 385 V HA -0.035 4.085 4.120 0.001 0.000 0.242 385 V C 2.189 178.294 176.094 0.018 0.000 1.038 385 V CA 1.358 63.591 62.300 -0.113 0.000 1.002 385 V CB -1.047 30.577 31.823 -0.332 0.000 0.641 385 V HN 0.252 nan 8.190 nan 0.000 0.449 386 F N -0.195 119.785 119.950 0.051 0.000 2.043 386 F HA -0.109 4.418 4.527 0.001 0.000 0.297 386 F C 1.590 177.385 175.800 -0.007 0.000 1.121 386 F CA 0.283 58.296 58.000 0.021 0.000 1.199 386 F CB -1.400 37.610 39.000 0.016 0.000 0.968 386 F HN 0.099 nan 8.300 nan 0.000 0.478 387 Q N 1.836 121.740 119.800 0.173 0.000 2.368 387 Q HA -0.169 4.171 4.340 0.001 0.000 0.331 387 Q C 1.079 176.988 176.000 -0.153 0.000 1.086 387 Q CA 0.654 56.473 55.803 0.028 0.000 1.031 387 Q CB 0.169 28.925 28.738 0.030 0.000 1.125 387 Q HN 0.537 nan 8.270 nan 0.000 0.389 388 Q N 1.292 120.984 119.800 -0.181 0.000 2.118 388 Q HA -0.350 3.990 4.340 0.001 0.000 0.194 388 Q C -0.696 175.145 176.000 -0.266 0.000 0.710 388 Q CA 1.253 56.888 55.803 -0.281 0.000 1.487 388 Q CB -0.840 27.603 28.738 -0.492 0.000 1.927 388 Q HN 0.785 nan 8.270 nan 0.000 0.642 389 D N -1.428 118.866 120.400 -0.175 0.000 3.508 389 D HA -0.187 4.454 4.640 0.001 0.000 0.232 389 D C -0.225 176.012 176.300 -0.104 0.000 1.131 389 D CA 0.690 54.654 54.000 -0.059 0.000 1.040 389 D CB -1.125 39.664 40.800 -0.018 0.000 0.879 389 D HN 0.333 nan 8.370 nan 0.000 0.407 390 F N 0.387 120.335 119.950 -0.003 0.000 2.706 390 F HA -0.161 4.366 4.527 0.001 0.000 0.295 390 F C 2.364 178.152 175.800 -0.021 0.000 1.228 390 F CA 1.040 59.031 58.000 -0.016 0.000 1.474 390 F CB -0.782 38.198 39.000 -0.033 0.000 1.120 390 F HN 0.537 nan 8.300 nan 0.000 0.605 391 T N -2.300 112.308 114.554 0.089 0.000 11.149 391 T HA -0.505 3.846 4.350 0.001 0.000 0.394 391 T C 1.480 176.211 174.700 0.051 0.000 1.464 391 T CA 1.928 64.062 62.100 0.056 0.000 2.297 391 T CB -1.317 67.568 68.868 0.029 0.000 2.749 391 T HN 0.506 nan 8.240 nan 0.000 0.908 392 D N 2.888 123.316 120.400 0.047 0.000 2.088 392 D HA -0.030 4.611 4.640 0.001 0.000 0.196 392 D C 2.343 178.624 176.300 -0.032 0.000 0.983 392 D CA 1.666 55.670 54.000 0.007 0.000 0.846 392 D CB -0.669 40.135 40.800 0.007 0.000 0.992 392 D HN 0.615 nan 8.370 nan 0.000 0.448 393 I N 1.244 121.808 120.570 -0.010 0.000 2.044 393 I HA -0.248 3.923 4.170 0.001 0.000 0.234 393 I C 1.177 177.241 176.117 -0.088 0.000 1.031 393 I CA 1.495 62.751 61.300 -0.073 0.000 1.305 393 I CB -0.571 37.377 38.000 -0.087 0.000 1.026 393 I HN 0.029 nan 8.210 nan 0.000 0.392 394 E N 1.257 121.449 120.200 -0.014 0.000 2.277 394 E HA 0.371 4.722 4.350 0.001 0.000 0.274 394 E C -0.564 176.040 176.600 0.006 0.000 1.022 394 E CA -0.323 56.063 56.400 -0.024 0.000 0.853 394 E CB 1.219 30.919 29.700 0.001 0.000 1.086 394 E HN 0.221 nan 8.360 nan 0.000 0.397 395 K N 2.692 123.071 120.400 -0.034 0.000 2.984 395 K HA 0.208 4.528 4.320 0.001 0.000 0.211 395 K C -0.915 175.636 176.600 -0.082 0.000 1.174 395 K CA -0.303 55.971 56.287 -0.023 0.000 0.978 395 K CB 1.093 33.593 32.500 -0.000 0.000 1.212 395 K HN 0.202 nan 8.250 nan 0.000 0.589 396 R N 1.886 122.362 120.500 -0.040 0.000 2.316 396 R HA 0.326 4.666 4.340 0.001 0.000 0.314 396 R C -0.467 175.844 176.300 0.018 0.000 1.069 396 R CA -0.174 55.897 56.100 -0.048 0.000 0.959 396 R CB 0.432 30.728 30.300 -0.007 0.000 0.987 396 R HN 0.219 nan 8.270 nan 0.000 0.446 397 L N 4.347 125.582 121.223 0.021 0.000 2.365 397 L HA 0.377 4.718 4.340 0.001 0.000 0.273 397 L C -0.035 176.974 176.870 0.231 0.000 1.000 397 L CA -0.829 54.119 54.840 0.180 0.000 0.819 397 L CB 1.910 44.189 42.059 0.367 0.000 1.284 397 L HN 0.466 nan 8.230 nan 0.000 0.418 398 L N 0.921 122.252 121.223 0.180 0.000 2.530 398 L HA 0.325 4.666 4.340 0.001 0.000 0.273 398 L C -0.221 176.750 176.870 0.169 0.000 1.141 398 L CA 0.041 54.973 54.840 0.155 0.000 0.905 398 L CB -0.001 42.127 42.059 0.116 0.000 1.202 398 L HN 0.719 nan 8.230 nan 0.000 0.473 399 Q N 3.776 123.687 119.800 0.186 0.000 2.400 399 Q HA 0.489 4.830 4.340 0.001 0.000 0.255 399 Q C -1.041 175.067 176.000 0.179 0.000 1.008 399 Q CA -0.258 55.660 55.803 0.191 0.000 0.841 399 Q CB 1.293 30.179 28.738 0.247 0.000 1.220 399 Q HN 0.867 nan 8.270 nan 0.000 0.474 400 S N 2.507 118.301 115.700 0.156 0.000 2.596 400 S HA 0.572 5.042 4.470 0.001 0.000 0.305 400 S C -0.122 174.541 174.600 0.105 0.000 1.086 400 S CA 0.429 58.710 58.200 0.135 0.000 0.909 400 S CB 0.649 63.913 63.200 0.106 0.000 1.106 400 S HN 1.089 nan 8.310 nan 0.000 0.450 401 G N 4.759 113.613 108.800 0.089 0.000 2.972 401 G HA2 -0.215 3.746 3.960 0.001 0.000 0.265 401 G HA3 -0.215 3.746 3.960 0.001 0.000 0.265 401 G C 0.274 175.217 174.900 0.071 0.000 1.506 401 G CA 0.516 45.654 45.100 0.063 0.000 1.016 401 G HN 0.765 nan 8.290 nan 0.000 0.563 402 E N 1.061 121.306 120.200 0.075 0.000 2.498 402 E HA 0.181 4.532 4.350 0.001 0.000 0.203 402 E C 0.664 177.317 176.600 0.087 0.000 1.013 402 E CA 0.234 56.684 56.400 0.082 0.000 0.927 402 E CB 0.400 30.137 29.700 0.062 0.000 1.012 402 E HN 0.466 nan 8.360 nan 0.000 0.482 403 D N 0.489 120.941 120.400 0.087 0.000 2.363 403 D HA -0.119 4.522 4.640 0.001 0.000 0.226 403 D C 1.206 177.526 176.300 0.033 0.000 1.020 403 D CA 0.471 54.505 54.000 0.058 0.000 0.892 403 D CB 0.034 40.877 40.800 0.072 0.000 0.900 403 D HN 0.256 nan 8.370 nan 0.000 0.531 404 Y N 1.357 121.627 120.300 -0.051 0.000 2.242 404 Y HA -0.133 4.417 4.550 0.001 0.000 0.291 404 Y C 1.802 177.598 175.900 -0.174 0.000 1.137 404 Y CA 1.087 59.129 58.100 -0.096 0.000 1.181 404 Y CB -0.075 38.346 38.460 -0.065 0.000 0.989 404 Y HN -0.161 nan 8.280 nan 0.000 0.527 405 I N 0.430 120.947 120.570 -0.087 0.000 3.111 405 I HA -0.064 4.107 4.170 0.001 0.000 0.272 405 I C 2.411 178.358 176.117 -0.283 0.000 1.268 405 I CA 1.058 62.225 61.300 -0.221 0.000 1.467 405 I CB -0.830 37.185 38.000 0.025 0.000 1.087 405 I HN 0.276 nan 8.210 nan 0.000 0.467 406 A N 0.623 123.328 122.820 -0.192 0.000 1.898 406 A HA -0.106 4.215 4.320 0.001 0.000 0.214 406 A C 2.312 179.731 177.584 -0.276 0.000 1.183 406 A CA 1.135 53.083 52.037 -0.148 0.000 0.622 406 A CB -0.482 18.484 19.000 -0.058 0.000 0.824 406 A HN 0.350 nan 8.150 nan 0.000 0.444 407 M N 0.331 119.666 119.600 -0.441 0.000 2.067 407 M HA -0.107 4.374 4.480 0.001 0.000 0.260 407 M C 1.990 177.932 176.300 -0.596 0.000 1.069 407 M CA 1.824 56.698 55.300 -0.710 0.000 1.117 407 M CB -1.028 30.993 32.600 -0.966 0.000 1.334 407 M HN 0.407 nan 8.290 nan 0.000 0.407 408 L N 0.156 120.937 121.223 -0.735 0.000 2.211 408 L HA -0.283 4.057 4.340 0.001 0.000 0.216 408 L C 2.271 178.688 176.870 -0.755 0.000 1.092 408 L CA 1.604 55.929 54.840 -0.858 0.000 0.767 408 L CB -0.748 40.511 42.059 -1.335 0.000 0.894 408 L HN 0.446 nan 8.230 nan 0.000 0.437 409 E N 0.159 120.036 120.200 -0.539 0.000 2.014 409 E HA -0.179 4.172 4.350 0.001 0.000 0.190 409 E C 1.756 178.319 176.600 -0.061 0.000 0.980 409 E CA 1.098 57.435 56.400 -0.105 0.000 0.807 409 E CB -0.135 29.585 29.700 0.033 0.000 0.770 409 E HN 0.612 nan 8.360 nan 0.000 0.451 410 E N 0.940 121.089 120.200 -0.085 0.000 2.510 410 E HA -0.059 4.292 4.350 0.001 0.000 0.202 410 E C 1.463 177.997 176.600 -0.111 0.000 1.072 410 E CA 0.563 56.934 56.400 -0.048 0.000 0.883 410 E CB 0.044 29.772 29.700 0.046 0.000 0.818 410 E HN 0.155 nan 8.360 nan 0.000 0.548 411 A N 1.510 124.250 122.820 -0.134 0.000 1.901 411 A HA 0.114 4.435 4.320 0.001 0.000 0.210 411 A C 2.167 179.675 177.584 -0.127 0.000 1.208 411 A CA 0.068 52.037 52.037 -0.114 0.000 0.644 411 A CB -0.247 18.726 19.000 -0.045 0.000 0.863 411 A HN 0.200 nan 8.150 nan 0.000 0.454 412 L N -0.337 120.883 121.223 -0.005 0.000 2.275 412 L HA -0.100 4.241 4.340 0.001 0.000 0.215 412 L C 2.900 179.760 176.870 -0.017 0.000 1.119 412 L CA 0.886 55.778 54.840 0.087 0.000 0.790 412 L CB -0.659 41.520 42.059 0.199 0.000 0.919 412 L HN 0.449 nan 8.230 nan 0.000 0.443 413 A N 0.823 123.583 122.820 -0.100 0.000 1.873 413 A HA -0.051 4.269 4.320 0.001 0.000 0.215 413 A C 2.432 179.840 177.584 -0.293 0.000 1.186 413 A CA 1.539 53.498 52.037 -0.129 0.000 0.616 413 A CB -1.086 17.857 19.000 -0.094 0.000 0.823 413 A HN 0.391 nan 8.150 nan 0.000 0.442 414 G N -1.179 107.226 108.800 -0.658 0.000 2.511 414 G HA2 -0.264 3.697 3.960 0.001 0.000 0.216 414 G HA3 -0.264 3.697 3.960 0.001 0.000 0.216 414 G C 1.298 175.698 174.900 -0.834 0.000 1.218 414 G CA 1.155 45.511 45.100 -1.242 0.000 0.788 414 G HN 0.572 nan 8.290 nan 0.000 0.560 415 Y N 2.319 122.223 120.300 -0.660 0.000 2.751 415 Y HA 0.040 4.591 4.550 0.001 0.000 0.310 415 Y C 2.692 178.565 175.900 -0.046 0.000 1.176 415 Y CA -0.122 57.849 58.100 -0.215 0.000 1.360 415 Y CB -0.378 37.994 38.460 -0.147 0.000 0.999 415 Y HN 0.234 nan 8.280 nan 0.000 0.532 416 G N 0.990 109.786 108.800 -0.006 0.000 2.649 416 G HA2 -0.390 3.571 3.960 0.001 0.000 0.220 416 G HA3 -0.390 3.571 3.960 0.001 0.000 0.220 416 G C 1.715 176.657 174.900 0.070 0.000 1.189 416 G CA 1.559 46.675 45.100 0.027 0.000 0.777 416 G HN 0.375 nan 8.290 nan 0.000 0.602 417 R N -0.814 119.731 120.500 0.076 0.000 2.094 417 R HA -0.170 4.170 4.340 0.001 0.000 0.239 417 R C 2.399 178.791 176.300 0.154 0.000 1.137 417 R CA 1.735 57.894 56.100 0.100 0.000 0.943 417 R CB -0.988 29.374 30.300 0.103 0.000 0.850 417 R HN 0.504 nan 8.270 nan 0.000 0.433 418 Y N 1.849 122.214 120.300 0.108 0.000 2.053 418 Y HA -0.227 4.324 4.550 0.001 0.000 0.277 418 Y C 1.964 177.935 175.900 0.119 0.000 1.159 418 Y CA 1.637 59.829 58.100 0.154 0.000 1.125 418 Y CB -0.538 38.083 38.460 0.268 0.000 0.969 418 Y HN -0.052 nan 8.280 nan 0.000 0.492 419 L N 0.042 121.251 121.223 -0.024 0.000 2.129 419 L HA -0.273 4.067 4.340 0.001 0.000 0.212 419 L C 2.084 178.890 176.870 -0.106 0.000 1.087 419 L CA 1.644 56.410 54.840 -0.123 0.000 0.757 419 L CB -0.639 41.445 42.059 0.042 0.000 0.896 419 L HN 0.308 nan 8.230 nan 0.000 0.434 420 D N -0.114 120.261 120.400 -0.042 0.000 2.194 420 D HA -0.075 4.565 4.640 0.001 0.000 0.204 420 D C 2.432 178.708 176.300 -0.040 0.000 0.964 420 D CA 0.891 54.875 54.000 -0.027 0.000 0.846 420 D CB 0.086 40.888 40.800 0.003 0.000 0.962 420 D HN 0.319 nan 8.370 nan 0.000 0.490 421 L N 0.552 121.746 121.223 -0.048 0.000 2.083 421 L HA -0.137 4.203 4.340 0.001 0.000 0.209 421 L C 2.505 179.335 176.870 -0.067 0.000 1.083 421 L CA 0.623 55.442 54.840 -0.035 0.000 0.752 421 L CB -0.305 41.755 42.059 0.002 0.000 0.899 421 L HN 0.037 nan 8.230 nan 0.000 0.433 422 L N -0.910 120.228 121.223 -0.141 0.000 2.005 422 L HA -0.242 4.098 4.340 0.001 0.000 0.207 422 L C 2.661 179.489 176.870 -0.069 0.000 1.072 422 L CA 1.343 56.108 54.840 -0.126 0.000 0.744 422 L CB -0.624 41.315 42.059 -0.200 0.000 0.895 422 L HN 0.298 nan 8.230 nan 0.000 0.433 423 Q N 0.214 119.975 119.800 -0.065 0.000 2.050 423 Q HA -0.182 4.159 4.340 0.001 0.000 0.202 423 Q C 2.067 178.052 176.000 -0.025 0.000 0.980 423 Q CA 1.683 57.464 55.803 -0.038 0.000 0.840 423 Q CB -0.136 28.583 28.738 -0.032 0.000 0.898 423 Q HN 0.525 nan 8.270 nan 0.000 0.424 424 A N 0.309 123.115 122.820 -0.023 0.000 2.264 424 A HA -0.044 4.277 4.320 0.001 0.000 0.207 424 A C 1.106 178.684 177.584 -0.010 0.000 1.196 424 A CA 0.895 52.925 52.037 -0.012 0.000 0.778 424 A CB -0.353 18.644 19.000 -0.006 0.000 0.779 424 A HN 0.511 nan 8.150 nan 0.000 0.483 425 R N -2.450 118.040 120.500 -0.017 0.000 4.024 425 R HA -0.269 4.072 4.340 0.001 0.000 0.372 425 R C 0.441 176.738 176.300 -0.005 0.000 1.192 425 R CA 1.107 57.199 56.100 -0.012 0.000 1.183 425 R CB -2.727 27.569 30.300 -0.008 0.000 1.672 425 R HN 1.001 nan 8.270 nan 0.000 0.571 426 A N 1.229 124.048 122.820 -0.002 0.000 2.729 426 A HA 0.010 4.331 4.320 0.001 0.000 0.291 426 A C 1.007 178.598 177.584 0.012 0.000 1.574 426 A CA 0.818 52.860 52.037 0.008 0.000 1.194 426 A CB -0.456 18.553 19.000 0.014 0.000 1.047 426 A HN 0.539 nan 8.150 nan 0.000 0.578 427 E N 2.461 122.668 120.200 0.012 0.000 2.494 427 E HA 0.016 4.367 4.350 0.001 0.000 0.193 427 E C -0.923 175.692 176.600 0.025 0.000 1.074 427 E CA -0.526 55.883 56.400 0.016 0.000 0.867 427 E CB -0.080 29.626 29.700 0.010 0.000 0.924 427 E HN 0.763 nan 8.360 nan 0.000 0.502 428 P HA 0.017 nan 4.420 nan 0.000 0.339 428 P C -0.100 177.227 177.300 0.046 0.000 1.376 428 P CA 0.107 63.227 63.100 0.033 0.000 0.797 428 P CB 0.348 32.067 31.700 0.032 0.000 1.872 429 D N -0.932 119.497 120.400 0.049 0.000 2.328 429 D HA 0.092 4.733 4.640 0.001 0.000 0.221 429 D C 1.645 177.994 176.300 0.081 0.000 1.072 429 D CA 0.221 54.258 54.000 0.062 0.000 0.850 429 D CB 0.071 40.902 40.800 0.052 0.000 0.922 429 D HN 0.194 nan 8.370 nan 0.000 0.516 430 L N 0.291 121.562 121.223 0.081 0.000 2.478 430 L HA 0.065 4.406 4.340 0.001 0.000 0.223 430 L C 2.203 179.158 176.870 0.141 0.000 1.140 430 L CA 0.349 55.246 54.840 0.096 0.000 0.842 430 L CB -0.171 41.933 42.059 0.076 0.000 0.953 430 L HN 0.002 nan 8.230 nan 0.000 0.452 431 I N -0.396 120.267 120.570 0.156 0.000 2.439 431 I HA -0.222 3.949 4.170 0.001 0.000 0.251 431 I C 2.386 178.689 176.117 0.310 0.000 1.139 431 I CA 0.729 62.182 61.300 0.255 0.000 1.438 431 I CB -0.062 38.062 38.000 0.206 0.000 1.085 431 I HN 0.166 nan 8.210 nan 0.000 0.427 432 I N 0.847 121.538 120.570 0.202 0.000 2.133 432 I HA -0.264 3.907 4.170 0.001 0.000 0.238 432 I C 2.520 178.759 176.117 0.204 0.000 1.074 432 I CA 1.736 63.146 61.300 0.183 0.000 1.342 432 I CB -1.278 36.794 38.000 0.120 0.000 1.053 432 I HN 0.362 nan 8.210 nan 0.000 0.404 433 Q N 0.289 120.186 119.800 0.161 0.000 2.291 433 Q HA -0.093 4.248 4.340 0.001 0.000 0.206 433 Q C 2.221 178.317 176.000 0.160 0.000 0.976 433 Q CA 1.368 57.255 55.803 0.140 0.000 0.875 433 Q CB -0.101 28.699 28.738 0.103 0.000 0.927 433 Q HN 0.532 nan 8.270 nan 0.000 0.450 434 A N 0.135 123.084 122.820 0.215 0.000 1.970 434 A HA -0.112 4.209 4.320 0.001 0.000 0.216 434 A C 1.695 179.439 177.584 0.266 0.000 1.170 434 A CA 0.506 52.694 52.037 0.252 0.000 0.645 434 A CB -0.400 18.800 19.000 0.333 0.000 0.816 434 A HN 0.380 nan 8.150 nan 0.000 0.447 435 F N 2.047 122.034 119.950 0.061 0.000 2.259 435 F HA -0.061 4.467 4.527 0.001 0.000 0.298 435 F C 1.877 177.655 175.800 -0.036 0.000 1.088 435 F CA 1.378 59.304 58.000 -0.123 0.000 1.358 435 F CB -0.098 38.741 39.000 -0.269 0.000 1.040 435 F HN 0.448 nan 8.300 nan 0.000 0.505 436 N N 0.431 119.143 118.700 0.020 0.000 2.515 436 N HA -0.114 4.627 4.740 0.001 0.000 0.191 436 N C 1.030 176.568 175.510 0.047 0.000 1.182 436 N CA 0.601 53.675 53.050 0.040 0.000 0.879 436 N CB -0.327 38.275 38.487 0.191 0.000 0.984 436 N HN 0.499 nan 8.380 nan 0.000 0.453 437 E N -0.946 119.240 120.200 -0.025 0.000 2.190 437 E HA -0.014 4.337 4.350 0.001 0.000 0.191 437 E C -0.621 175.961 176.600 -0.029 0.000 0.978 437 E CA 0.458 56.871 56.400 0.020 0.000 0.839 437 E CB 0.315 30.048 29.700 0.055 0.000 0.787 437 E HN 0.336 nan 8.360 nan 0.000 0.473 438 Y N 0.294 120.327 120.300 -0.445 0.000 2.492 438 Y HA 0.384 4.934 4.550 0.001 0.000 0.346 438 Y C -1.378 173.895 175.900 -1.045 0.000 0.997 438 Y CA -0.898 56.770 58.100 -0.721 0.000 1.025 438 Y CB 1.942 39.787 38.460 -1.024 0.000 1.263 438 Y HN -0.265 nan 8.280 nan 0.000 0.454 439 Q N 4.149 123.115 119.800 -1.391 0.000 2.327 439 Q HA 0.473 4.814 4.340 0.001 0.000 0.265 439 Q C -2.202 173.293 176.000 -0.842 0.000 0.993 439 Q CA -0.409 54.721 55.803 -1.122 0.000 0.885 439 Q CB 1.769 29.530 28.738 -1.628 0.000 1.379 439 Q HN 0.846 nan 8.270 nan 0.000 0.408 440 L N 3.659 124.635 121.223 -0.411 0.000 2.399 440 L HA 0.591 4.932 4.340 0.001 0.000 0.266 440 L C -0.497 176.310 176.870 -0.105 0.000 1.114 440 L CA -0.651 54.083 54.840 -0.177 0.000 0.804 440 L CB 0.715 42.806 42.059 0.053 0.000 1.146 440 L HN 0.573 nan 8.230 nan 0.000 0.451 441 L N 2.686 123.892 121.223 -0.028 0.000 2.438 441 L HA 0.524 4.865 4.340 0.001 0.000 0.270 441 L C -0.927 175.986 176.870 0.071 0.000 0.972 441 L CA -0.616 54.238 54.840 0.023 0.000 0.831 441 L CB 1.996 44.063 42.059 0.014 0.000 1.273 441 L HN 0.737 nan 8.230 nan 0.000 0.405 442 C N -0.145 119.211 119.300 0.093 0.000 2.898 442 C HA 0.821 5.281 4.460 0.001 0.000 0.304 442 C C 1.235 176.283 174.990 0.097 0.000 1.237 442 C CA -0.443 58.643 59.018 0.113 0.000 1.529 442 C CB 1.261 29.096 27.740 0.159 0.000 2.021 442 C HN 0.943 nan 8.230 nan 0.000 0.474 443 A N 1.276 124.145 122.820 0.082 0.000 1.970 443 A HA 0.294 4.615 4.320 0.001 0.000 0.216 443 A C 0.800 178.431 177.584 0.078 0.000 1.170 443 A CA 0.857 52.935 52.037 0.069 0.000 0.645 443 A CB -0.339 18.683 19.000 0.037 0.000 0.816 443 A HN 0.826 nan 8.150 nan 0.000 0.447 444 L N -2.124 119.158 121.223 0.097 0.000 2.431 444 L HA 0.456 4.797 4.340 0.001 0.000 0.260 444 L C 1.499 178.423 176.870 0.090 0.000 1.098 444 L CA -0.562 54.337 54.840 0.097 0.000 0.800 444 L CB 0.875 43.012 42.059 0.130 0.000 1.210 444 L HN 0.191 nan 8.230 nan 0.000 0.465 445 R N -0.326 120.215 120.500 0.068 0.000 2.206 445 R HA 0.155 4.495 4.340 0.001 0.000 0.198 445 R C -0.023 176.311 176.300 0.056 0.000 0.986 445 R CA 0.359 56.490 56.100 0.051 0.000 1.029 445 R CB 0.596 30.910 30.300 0.023 0.000 0.966 445 R HN 0.663 nan 8.270 nan 0.000 0.487 446 E N -0.786 119.453 120.200 0.064 0.000 2.321 446 E HA 0.475 4.826 4.350 0.001 0.000 0.278 446 E C -1.237 175.402 176.600 0.066 0.000 0.902 446 E CA -0.410 56.022 56.400 0.054 0.000 0.758 446 E CB 1.838 31.561 29.700 0.037 0.000 1.213 446 E HN 0.237 nan 8.360 nan 0.000 0.426 447 G N 3.095 111.919 108.800 0.040 0.000 2.359 447 G HA2 -0.041 3.919 3.960 0.001 0.000 0.303 447 G HA3 -0.041 3.919 3.960 0.001 0.000 0.303 447 G C -2.630 172.222 174.900 -0.081 0.000 1.293 447 G CA -0.488 44.620 45.100 0.014 0.000 0.964 447 G HN 0.404 nan 8.290 nan 0.000 0.531 448 P HA 0.123 nan 4.420 nan 0.000 0.220 448 P C 0.769 177.737 177.300 -0.553 0.000 1.148 448 P CA 1.133 63.903 63.100 -0.551 0.000 0.803 448 P CB -0.002 31.149 31.700 -0.914 0.000 0.782 449 F N -1.064 118.909 119.950 0.037 0.000 2.725 449 F HA 0.551 5.079 4.527 0.001 0.000 0.215 449 F C 1.719 177.570 175.800 0.085 0.000 1.181 449 F CA -0.055 58.002 58.000 0.096 0.000 0.982 449 F CB -1.015 38.032 39.000 0.079 0.000 2.121 449 F HN -0.143 nan 8.300 nan 0.000 0.589 450 G N 0.174 109.160 108.800 0.309 0.000 2.977 450 G HA2 -0.174 3.787 3.960 0.001 0.000 0.308 450 G HA3 -0.174 3.787 3.960 0.001 0.000 0.308 450 G C 0.380 175.366 174.900 0.144 0.000 1.491 450 G CA -0.275 44.935 45.100 0.183 0.000 0.971 450 G HN 0.512 nan 8.290 nan 0.000 0.557 451 V N 1.734 121.716 119.914 0.113 0.000 2.245 451 V HA -0.036 4.085 4.120 0.001 0.000 0.233 451 V C 3.509 179.652 176.094 0.082 0.000 1.028 451 V CA 3.618 65.980 62.300 0.104 0.000 0.991 451 V CB -1.628 30.247 31.823 0.086 0.000 0.640 451 V HN 2.083 nan 8.190 nan 0.000 0.461 452 A N 0.522 123.376 122.820 0.056 0.000 1.984 452 A HA -0.322 3.999 4.320 0.001 0.000 0.224 452 A C 2.272 179.872 177.584 0.026 0.000 1.256 452 A CA 2.924 54.980 52.037 0.032 0.000 0.679 452 A CB -1.540 17.473 19.000 0.022 0.000 0.829 452 A HN 0.750 nan 8.150 nan 0.000 0.483 453 G N -1.289 107.532 108.800 0.034 0.000 2.395 453 G HA2 -0.003 3.958 3.960 0.001 0.000 0.214 453 G HA3 -0.003 3.958 3.960 0.001 0.000 0.214 453 G C 1.537 176.467 174.900 0.050 0.000 1.177 453 G CA 0.722 45.832 45.100 0.017 0.000 0.794 453 G HN 0.431 nan 8.290 nan 0.000 0.532 454 L N 0.367 121.648 121.223 0.097 0.000 2.131 454 L HA -0.082 4.259 4.340 0.001 0.000 0.210 454 L C 2.699 179.646 176.870 0.129 0.000 1.092 454 L CA 0.893 55.821 54.840 0.146 0.000 0.759 454 L CB -0.341 41.825 42.059 0.179 0.000 0.903 454 L HN 0.212 nan 8.230 nan 0.000 0.435 455 N N -0.318 118.436 118.700 0.091 0.000 2.084 455 N HA -0.232 4.509 4.740 0.001 0.000 0.190 455 N C 1.730 177.218 175.510 -0.036 0.000 1.030 455 N CA 1.314 54.379 53.050 0.025 0.000 0.849 455 N CB -0.064 38.409 38.487 -0.023 0.000 1.012 455 N HN 0.295 nan 8.380 nan 0.000 0.423 456 E N 0.743 120.933 120.200 -0.017 0.000 2.001 456 E HA -0.184 4.167 4.350 0.001 0.000 0.195 456 E C 1.731 178.344 176.600 0.021 0.000 1.002 456 E CA 0.872 57.258 56.400 -0.023 0.000 0.819 456 E CB 0.053 29.744 29.700 -0.014 0.000 0.769 456 E HN 0.081 nan 8.360 nan 0.000 0.454 457 R N 0.445 120.985 120.500 0.067 0.000 2.226 457 R HA -0.142 4.199 4.340 0.001 0.000 0.246 457 R C 2.157 178.531 176.300 0.123 0.000 1.161 457 R CA 0.948 57.123 56.100 0.125 0.000 0.997 457 R CB -0.568 29.872 30.300 0.233 0.000 0.870 457 R HN 0.439 nan 8.270 nan 0.000 0.465 458 I N -0.529 120.104 120.570 0.105 0.000 2.556 458 I HA -0.120 4.051 4.170 0.001 0.000 0.251 458 I C 1.761 177.971 176.117 0.155 0.000 1.105 458 I CA 0.458 61.848 61.300 0.150 0.000 1.436 458 I CB -0.179 37.968 38.000 0.246 0.000 1.139 458 I HN 0.102 nan 8.210 nan 0.000 0.438 459 E N 0.640 120.839 120.200 -0.001 0.000 2.209 459 E HA -0.316 4.035 4.350 0.001 0.000 0.196 459 E C 1.987 178.585 176.600 -0.003 0.000 0.993 459 E CA 1.032 57.371 56.400 -0.101 0.000 0.819 459 E CB -0.092 29.454 29.700 -0.256 0.000 0.745 459 E HN 0.484 nan 8.360 nan 0.000 0.477 460 Q N -0.234 119.596 119.800 0.050 0.000 2.230 460 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 460 Q C 1.614 177.682 176.000 0.115 0.000 0.963 460 Q CA 0.727 56.569 55.803 0.065 0.000 0.866 460 Q CB 0.017 28.802 28.738 0.078 0.000 0.931 460 Q HN 0.230 nan 8.270 nan 0.000 0.452 461 F N 0.186 120.144 119.950 0.013 0.000 2.456 461 F HA 0.103 4.630 4.527 0.001 0.000 0.298 461 F C 1.280 177.095 175.800 0.025 0.000 1.104 461 F CA 0.800 58.810 58.000 0.017 0.000 1.435 461 F CB 0.334 39.344 39.000 0.016 0.000 1.078 461 F HN 0.047 nan 8.300 nan 0.000 0.546 462 M N -0.441 119.245 119.600 0.143 0.000 2.571 462 M HA 0.084 4.565 4.480 0.001 0.000 0.235 462 M C 0.839 177.142 176.300 0.005 0.000 1.216 462 M CA 0.415 55.767 55.300 0.086 0.000 0.979 462 M CB 0.109 32.810 32.600 0.168 0.000 1.616 462 M HN 0.192 nan 8.290 nan 0.000 0.469 463 Q N -0.641 119.135 119.800 -0.040 0.000 2.620 463 Q HA 0.088 4.429 4.340 0.001 0.000 0.232 463 Q C 1.244 177.190 176.000 -0.091 0.000 0.836 463 Q CA 0.154 55.924 55.803 -0.054 0.000 0.938 463 Q CB 0.274 28.984 28.738 -0.046 0.000 1.242 463 Q HN 0.470 nan 8.270 nan 0.000 0.624 464 Q N 0.582 120.299 119.800 -0.138 0.000 2.541 464 Q HA 0.006 4.346 4.340 0.001 0.000 0.215 464 Q C 0.828 176.681 176.000 -0.245 0.000 0.977 464 Q CA 0.823 56.513 55.803 -0.188 0.000 0.934 464 Q CB 0.313 28.910 28.738 -0.236 0.000 0.988 464 Q HN 0.162 nan 8.270 nan 0.000 0.521 465 K N -1.248 119.027 120.400 -0.208 0.000 3.003 465 K HA 0.235 4.556 4.320 0.001 0.000 0.213 465 K C -0.089 176.462 176.600 -0.082 0.000 1.785 465 K CA -0.257 55.925 56.287 -0.174 0.000 1.275 465 K CB 1.267 33.622 32.500 -0.241 0.000 2.112 465 K HN -0.093 nan 8.250 nan 0.000 0.542 525 S N -1.797 113.918 115.700 0.024 0.000 2.587 525 S HA 0.562 5.033 4.470 0.001 0.000 0.269 525 S C -0.157 174.474 174.600 0.052 0.000 1.154 525 S CA 0.774 58.995 58.200 0.035 0.000 0.824 525 S CB 1.734 64.954 63.200 0.033 0.000 1.118 525 S HN 0.625 nan 8.310 nan 0.000 0.462 526 R N 0.780 121.320 120.500 0.067 0.000 4.012 526 R HA -0.187 4.154 4.340 0.001 0.000 0.355 526 R C -0.694 175.663 176.300 0.095 0.000 1.225 526 R CA 1.634 57.790 56.100 0.093 0.000 1.149 526 R CB -2.430 27.934 30.300 0.106 0.000 1.603 526 R HN 0.591 nan 8.270 nan 0.000 0.574 527 L N 2.149 123.413 121.223 0.069 0.000 2.500 527 L HA 0.178 4.519 4.340 0.001 0.000 0.272 527 L C -1.147 175.756 176.870 0.054 0.000 1.149 527 L CA -1.443 53.434 54.840 0.062 0.000 0.897 527 L CB 0.136 42.220 42.059 0.042 0.000 1.178 527 L HN 0.117 nan 8.230 nan 0.000 0.473 528 P HA 0.061 nan 4.420 nan 0.000 0.278 528 P C -0.777 176.484 177.300 -0.066 0.000 1.270 528 P CA -0.239 62.874 63.100 0.022 0.000 0.800 528 P CB 0.382 32.116 31.700 0.057 0.000 1.142 529 E N -0.307 119.779 120.200 -0.189 0.000 7.455 529 E HA -0.080 4.271 4.350 0.001 0.000 0.193 529 E C -0.913 175.529 176.600 -0.265 0.000 0.902 529 E CA -0.127 56.067 56.400 -0.343 0.000 1.685 529 E CB -1.592 27.993 29.700 -0.192 0.000 0.894 529 E HN 0.661 nan 8.360 nan 0.000 0.268 530 H N 1.160 120.177 119.070 -0.089 0.000 2.029 530 H HA -0.168 4.389 4.556 0.001 0.000 0.274 530 H C 0.936 176.249 175.328 -0.026 0.000 0.671 530 H CA 1.351 57.372 56.048 -0.046 0.000 1.279 530 H CB -0.300 29.403 29.762 -0.098 0.000 1.366 530 H HN 0.393 nan 8.280 nan 0.000 0.309 531 E N 2.080 122.344 120.200 0.107 0.000 2.349 531 E HA 0.054 4.404 4.350 0.001 0.000 0.201 531 E C -0.080 176.562 176.600 0.071 0.000 1.087 531 E CA -0.059 56.381 56.400 0.068 0.000 1.128 531 E CB -0.216 29.522 29.700 0.064 0.000 1.188 531 E HN 0.607 nan 8.360 nan 0.000 0.445 532 T N -1.590 113.008 114.554 0.074 0.000 4.221 532 T HA -0.259 4.092 4.350 0.001 0.000 0.343 532 T C 0.803 175.573 174.700 0.116 0.000 0.755 532 T CA 1.039 63.153 62.100 0.022 0.000 1.949 532 T CB -2.876 65.984 68.868 -0.013 0.000 1.874 532 T HN 0.551 nan 8.240 nan 0.000 0.890 533 T N -2.311 112.378 114.554 0.224 0.000 2.995 533 T HA 0.047 4.398 4.350 0.001 0.000 0.216 533 T C 1.324 176.304 174.700 0.466 0.000 1.000 533 T CA 1.297 63.585 62.100 0.313 0.000 2.118 533 T CB -0.198 68.894 68.868 0.374 0.000 1.401 533 T HN 0.685 nan 8.240 nan 0.000 0.389 534 W N 1.687 123.134 121.300 0.245 0.000 0.780 534 W HA -0.339 4.322 4.660 0.001 0.000 0.218 534 W C 0.283 176.909 176.519 0.178 0.000 0.920 534 W CA 1.030 58.484 57.345 0.182 0.000 0.350 534 W CB -1.617 27.857 29.460 0.025 0.000 1.913 534 W HN 0.883 nan 8.180 nan 0.000 1.375 535 A N 0.731 123.761 122.820 0.351 0.000 2.353 535 A HA 0.660 4.981 4.320 0.001 0.000 0.299 535 A C -0.860 176.820 177.584 0.159 0.000 1.089 535 A CA -0.318 51.842 52.037 0.205 0.000 0.736 535 A CB 1.430 20.557 19.000 0.211 0.000 1.195 535 A HN 0.046 nan 8.150 nan 0.000 0.447 536 M N 2.195 121.854 119.600 0.097 0.000 2.508 536 M HA 0.542 5.023 4.480 0.001 0.000 0.327 536 M C 0.587 176.948 176.300 0.101 0.000 1.160 536 M CA -0.613 54.749 55.300 0.103 0.000 0.980 536 M CB 1.753 34.408 32.600 0.093 0.000 1.693 536 M HN 0.814 nan 8.290 nan 0.000 0.452 537 T N 0.698 115.319 114.554 0.111 0.000 2.901 537 T HA 0.304 4.654 4.350 0.001 0.000 0.301 537 T C 1.156 175.939 174.700 0.137 0.000 1.012 537 T CA -0.748 61.421 62.100 0.114 0.000 1.135 537 T CB 0.260 69.187 68.868 0.098 0.000 0.936 537 T HN 0.474 nan 8.240 nan 0.000 0.539 538 V N 2.452 122.438 119.914 0.121 0.000 2.439 538 V HA -0.251 3.870 4.120 0.001 0.000 0.253 538 V C 2.581 178.757 176.094 0.136 0.000 1.074 538 V CA 2.313 64.678 62.300 0.109 0.000 1.076 538 V CB -1.351 30.519 31.823 0.077 0.000 0.664 538 V HN 1.040 nan 8.190 nan 0.000 0.461 539 H N 1.518 120.617 119.070 0.048 0.000 2.253 539 H HA -0.173 4.384 4.556 0.001 0.000 0.296 539 H C 2.323 177.680 175.328 0.048 0.000 1.074 539 H CA 2.382 58.455 56.048 0.041 0.000 1.263 539 H CB -0.210 29.572 29.762 0.034 0.000 1.363 539 H HN 0.403 nan 8.280 nan 0.000 0.489 540 K N 0.418 121.079 120.400 0.435 0.000 2.152 540 K HA -0.111 4.210 4.320 0.001 0.000 0.206 540 K C 2.374 179.092 176.600 0.197 0.000 1.048 540 K CA 1.520 57.992 56.287 0.309 0.000 0.933 540 K CB -0.135 32.478 32.500 0.188 0.000 0.721 540 K HN 0.384 nan 8.250 nan 0.000 0.447 541 S N 0.961 116.771 115.700 0.183 0.000 2.500 541 S HA -0.141 4.330 4.470 0.001 0.000 0.239 541 S C 0.701 175.343 174.600 0.071 0.000 0.989 541 S CA 0.238 58.552 58.200 0.190 0.000 0.951 541 S CB -0.286 63.057 63.200 0.238 0.000 0.759 541 S HN 0.241 nan 8.310 nan 0.000 0.523 542 Q N 0.656 120.474 119.800 0.030 0.000 2.326 542 Q HA 0.320 4.661 4.340 0.001 0.000 0.314 542 Q C 1.332 177.308 176.000 -0.040 0.000 1.091 542 Q CA 0.825 56.607 55.803 -0.035 0.000 0.974 542 Q CB -0.135 28.553 28.738 -0.083 0.000 1.220 542 Q HN 0.633 nan 8.270 nan 0.000 0.398 543 G N 1.657 110.417 108.800 -0.067 0.000 2.175 543 G HA2 -0.297 3.664 3.960 0.001 0.000 0.265 543 G HA3 -0.297 3.664 3.960 0.001 0.000 0.265 543 G C -0.117 174.720 174.900 -0.105 0.000 0.979 543 G CA 0.406 45.465 45.100 -0.068 0.000 0.663 543 G HN 0.498 nan 8.290 nan 0.000 0.533 544 S N 0.259 115.860 115.700 -0.165 0.000 2.503 544 S HA 0.657 5.128 4.470 0.001 0.000 0.301 544 S C -0.343 173.867 174.600 -0.650 0.000 1.087 544 S CA -0.336 57.682 58.200 -0.303 0.000 1.042 544 S CB 1.922 65.021 63.200 -0.168 0.000 1.043 544 S HN 0.670 nan 8.310 nan 0.000 0.489 545 E N 1.406 121.134 120.200 -0.787 0.000 2.293 545 E HA 0.689 5.039 4.350 0.001 0.000 0.270 545 E C -1.618 174.417 176.600 -0.941 0.000 0.879 545 E CA -0.813 55.056 56.400 -0.884 0.000 0.756 545 E CB 1.276 30.732 29.700 -0.406 0.000 1.208 545 E HN 0.396 nan 8.360 nan 0.000 0.428 546 F N 0.835 120.720 119.950 -0.109 0.000 2.577 546 F HA 0.318 4.845 4.527 0.001 0.000 0.318 546 F C 0.779 176.515 175.800 -0.106 0.000 1.065 546 F CA -1.112 56.815 58.000 -0.122 0.000 0.929 546 F CB 1.160 40.047 39.000 -0.189 0.000 1.237 546 F HN 0.332 nan 8.300 nan 0.000 0.468 547 D N -1.218 119.242 120.400 0.101 0.000 2.087 547 D HA -0.153 4.488 4.640 0.001 0.000 0.192 547 D C 0.481 176.807 176.300 0.044 0.000 0.993 547 D CA 1.915 55.940 54.000 0.042 0.000 0.828 547 D CB -0.196 40.636 40.800 0.053 0.000 0.968 547 D HN 0.317 nan 8.370 nan 0.000 0.448 548 H N -0.311 118.743 119.070 -0.027 0.000 2.492 548 H HA 0.684 5.241 4.556 0.001 0.000 0.345 548 H C -1.247 173.923 175.328 -0.263 0.000 1.136 548 H CA -1.001 55.002 56.048 -0.076 0.000 1.202 548 H CB 1.431 31.234 29.762 0.068 0.000 1.524 548 H HN 0.012 nan 8.280 nan 0.000 0.506 549 A N 2.860 125.799 122.820 0.198 0.000 2.488 549 A HA 0.695 5.016 4.320 0.001 0.000 0.295 549 A C -1.424 176.103 177.584 -0.095 0.000 1.045 549 A CA -0.089 51.873 52.037 -0.125 0.000 0.703 549 A CB 1.076 20.067 19.000 -0.015 0.000 1.271 549 A HN 0.800 nan 8.150 nan 0.000 0.400 550 A N 1.468 124.130 122.820 -0.264 0.000 2.355 550 A HA 0.756 5.077 4.320 0.001 0.000 0.317 550 A C -1.129 176.419 177.584 -0.061 0.000 1.094 550 A CA -0.474 51.490 52.037 -0.121 0.000 0.764 550 A CB 1.084 20.098 19.000 0.023 0.000 1.230 550 A HN 1.665 nan 8.150 nan 0.000 0.448 551 L N 2.679 123.871 121.223 -0.051 0.000 2.307 551 L HA 0.749 5.090 4.340 0.001 0.000 0.284 551 L C -1.303 175.629 176.870 0.103 0.000 1.023 551 L CA -0.331 54.514 54.840 0.009 0.000 0.810 551 L CB 1.156 43.198 42.059 -0.029 0.000 1.231 551 L HN 0.537 nan 8.230 nan 0.000 0.423 552 I N 5.978 126.634 120.570 0.144 0.000 2.411 552 I HA 0.407 4.578 4.170 0.001 0.000 0.284 552 I C -0.525 175.654 176.117 0.103 0.000 1.012 552 I CA -0.028 61.394 61.300 0.203 0.000 1.119 552 I CB 1.394 39.559 38.000 0.274 0.000 1.261 552 I HN 0.450 nan 8.210 nan 0.000 0.448 553 L N 7.486 128.723 121.223 0.023 0.000 2.352 553 L HA 0.628 4.969 4.340 0.001 0.000 0.269 553 L C -2.026 174.602 176.870 -0.402 0.000 1.034 553 L CA -1.912 52.862 54.840 -0.109 0.000 0.806 553 L CB 1.188 43.199 42.059 -0.080 0.000 1.244 553 L HN 0.337 nan 8.230 nan 0.000 0.447 554 P HA -0.030 nan 4.420 nan 0.000 0.269 554 P C 0.423 177.201 177.300 -0.869 0.000 1.215 554 P CA -0.030 62.363 63.100 -1.179 0.000 0.780 554 P CB 1.097 32.492 31.700 -0.509 0.000 0.898 555 S N 1.786 116.916 115.700 -0.950 0.000 2.359 555 S HA -0.182 4.289 4.470 0.001 0.000 0.222 555 S C 0.462 174.996 174.600 -0.109 0.000 1.038 555 S CA 1.394 59.480 58.200 -0.191 0.000 1.051 555 S CB -0.315 62.998 63.200 0.188 0.000 0.944 555 S HN 0.662 nan 8.310 nan 0.000 0.433 556 Q N -0.433 119.319 119.800 -0.081 0.000 2.418 556 Q HA 0.595 4.936 4.340 0.001 0.000 0.240 556 Q C -0.578 175.405 176.000 -0.029 0.000 0.859 556 Q CA -0.495 55.283 55.803 -0.042 0.000 0.916 556 Q CB 2.012 30.748 28.738 -0.004 0.000 1.448 556 Q HN 0.330 nan 8.270 nan 0.000 0.439 557 R N -0.533 119.944 120.500 -0.038 0.000 4.667 557 R HA 0.005 4.345 4.340 0.001 0.000 0.243 557 R C -1.262 175.025 176.300 -0.022 0.000 0.883 557 R CA 0.215 56.303 56.100 -0.020 0.000 0.629 557 R CB -0.653 29.646 30.300 -0.002 0.000 2.033 557 R HN 0.907 nan 8.270 nan 0.000 0.376 558 T N 0.363 114.913 114.554 -0.006 0.000 0.591 558 T HA -0.132 4.219 4.350 0.001 0.000 0.770 558 T C -1.386 173.319 174.700 0.008 0.000 0.992 558 T CA 0.587 62.691 62.100 0.007 0.000 4.050 558 T CB -0.226 68.648 68.868 0.010 0.000 2.288 558 T HN 0.472 nan 8.240 nan 0.000 0.397 559 P HA 0.139 nan 4.420 nan 0.000 0.245 559 P C 1.540 178.861 177.300 0.036 0.000 1.206 559 P CA -0.007 63.111 63.100 0.030 0.000 0.781 559 P CB 0.054 31.785 31.700 0.051 0.000 0.994 560 V N 0.190 120.128 119.914 0.039 0.000 2.490 560 V HA -0.126 3.995 4.120 0.001 0.000 0.250 560 V C 1.583 177.698 176.094 0.034 0.000 1.061 560 V CA 1.273 63.600 62.300 0.045 0.000 1.064 560 V CB -0.715 31.137 31.823 0.048 0.000 0.670 560 V HN -0.062 nan 8.190 nan 0.000 0.461 561 V N 2.660 122.583 119.914 0.016 0.000 2.287 561 V HA 0.199 4.320 4.120 0.001 0.000 0.246 561 V C 0.693 176.791 176.094 0.007 0.000 1.165 561 V CA 0.358 62.662 62.300 0.006 0.000 1.088 561 V CB -0.320 31.492 31.823 -0.017 0.000 1.242 561 V HN 0.686 nan 8.190 nan 0.000 0.497 562 T N 1.296 115.858 114.554 0.014 0.000 2.889 562 T HA 0.406 4.756 4.350 0.001 0.000 0.278 562 T C 1.154 175.860 174.700 0.009 0.000 0.995 562 T CA -0.572 61.533 62.100 0.008 0.000 0.966 562 T CB 1.704 70.577 68.868 0.009 0.000 1.237 562 T HN 0.341 nan 8.240 nan 0.000 0.591 563 R N 0.304 120.804 120.500 -0.000 0.000 2.075 563 R HA -0.131 4.210 4.340 0.001 0.000 0.230 563 R C 2.156 178.475 176.300 0.032 0.000 1.140 563 R CA 2.130 58.232 56.100 0.003 0.000 0.928 563 R CB -0.698 29.586 30.300 -0.027 0.000 0.834 563 R HN 0.794 nan 8.270 nan 0.000 0.429 564 E N 0.894 121.099 120.200 0.009 0.000 2.233 564 E HA -0.238 4.113 4.350 0.001 0.000 0.199 564 E C 1.815 178.469 176.600 0.091 0.000 1.004 564 E CA 1.370 57.794 56.400 0.039 0.000 0.819 564 E CB -0.282 29.413 29.700 -0.008 0.000 0.738 564 E HN 0.395 nan 8.360 nan 0.000 0.478 565 L N -0.236 121.022 121.223 0.058 0.000 2.044 565 L HA -0.141 4.200 4.340 0.001 0.000 0.205 565 L C 2.013 178.913 176.870 0.050 0.000 1.075 565 L CA 0.919 55.790 54.840 0.053 0.000 0.747 565 L CB -0.050 42.035 42.059 0.044 0.000 0.903 565 L HN 0.045 nan 8.230 nan 0.000 0.435 566 V N -0.596 119.348 119.914 0.049 0.000 2.343 566 V HA -0.333 3.788 4.120 0.001 0.000 0.247 566 V C 2.210 178.323 176.094 0.032 0.000 1.051 566 V CA 2.105 64.422 62.300 0.029 0.000 1.036 566 V CB -0.872 30.965 31.823 0.024 0.000 0.654 566 V HN 0.583 nan 8.190 nan 0.000 0.451 567 Y N 2.219 122.492 120.300 -0.045 0.000 2.114 567 Y HA -0.304 4.247 4.550 0.001 0.000 0.284 567 Y C 2.869 178.736 175.900 -0.055 0.000 1.143 567 Y CA 2.400 60.467 58.100 -0.055 0.000 1.135 567 Y CB -0.676 37.749 38.460 -0.057 0.000 0.980 567 Y HN 0.431 nan 8.280 nan 0.000 0.499 568 T N -1.505 113.054 114.554 0.008 0.000 2.929 568 T HA -0.088 4.263 4.350 0.001 0.000 0.271 568 T C 1.965 176.594 174.700 -0.119 0.000 1.085 568 T CA 0.934 62.987 62.100 -0.079 0.000 1.125 568 T CB -0.821 68.056 68.868 0.016 0.000 0.874 568 T HN 0.397 nan 8.240 nan 0.000 0.494 569 A N 1.313 124.084 122.820 -0.082 0.000 1.854 569 A HA 0.156 4.477 4.320 0.001 0.000 0.214 569 A C 2.603 180.118 177.584 -0.115 0.000 1.192 569 A CA 1.221 53.221 52.037 -0.061 0.000 0.611 569 A CB -1.019 17.963 19.000 -0.029 0.000 0.832 569 A HN 0.368 nan 8.150 nan 0.000 0.442 570 V N 0.997 120.809 119.914 -0.170 0.000 2.287 570 V HA -0.240 3.881 4.120 0.001 0.000 0.248 570 V C 2.785 178.727 176.094 -0.252 0.000 1.053 570 V CA 2.387 64.564 62.300 -0.205 0.000 1.027 570 V CB -1.477 30.207 31.823 -0.233 0.000 0.646 570 V HN 0.821 nan 8.190 nan 0.000 0.447 571 T N -1.988 112.349 114.554 -0.362 0.000 3.228 571 T HA -0.084 4.267 4.350 0.001 0.000 0.261 571 T C 1.658 176.212 174.700 -0.243 0.000 1.171 571 T CA 0.495 62.387 62.100 -0.347 0.000 1.056 571 T CB -0.279 68.302 68.868 -0.477 0.000 0.938 571 T HN 0.277 nan 8.240 nan 0.000 0.539 572 R N 1.171 121.552 120.500 -0.198 0.000 2.156 572 R HA 0.454 4.795 4.340 0.001 0.000 0.207 572 R C 1.321 177.516 176.300 -0.176 0.000 1.040 572 R CA 0.552 56.534 56.100 -0.197 0.000 1.013 572 R CB -0.847 29.407 30.300 -0.077 0.000 0.931 572 R HN 0.556 nan 8.270 nan 0.000 0.465 573 A N 1.221 123.967 122.820 -0.124 0.000 2.388 573 A HA 0.280 4.600 4.320 0.001 0.000 0.257 573 A C 0.814 178.321 177.584 -0.128 0.000 1.095 573 A CA -0.192 51.783 52.037 -0.103 0.000 0.791 573 A CB 0.563 19.494 19.000 -0.115 0.000 1.029 573 A HN 0.183 nan 8.150 nan 0.000 0.489 574 R N 0.679 121.115 120.500 -0.106 0.000 2.146 574 R HA 0.109 4.450 4.340 0.001 0.000 0.206 574 R C 1.557 177.795 176.300 -0.103 0.000 1.049 574 R CA 0.940 56.979 56.100 -0.101 0.000 1.029 574 R CB 0.174 30.428 30.300 -0.077 0.000 0.949 574 R HN 0.815 nan 8.270 nan 0.000 0.471 575 R N -0.434 119.998 120.500 -0.113 0.000 2.242 575 R HA 0.295 4.636 4.340 0.001 0.000 0.138 575 R C 0.298 176.479 176.300 -0.198 0.000 2.004 575 R CA -0.493 55.530 56.100 -0.128 0.000 1.618 575 R CB 0.114 30.355 30.300 -0.098 0.000 1.371 575 R HN -0.151 nan 8.270 nan 0.000 0.480 576 R N 1.420 121.722 120.500 -0.331 0.000 2.441 576 R HA 0.291 4.632 4.340 0.001 0.000 0.284 576 R C -1.075 174.917 176.300 -0.513 0.000 1.070 576 R CA -0.297 55.472 56.100 -0.551 0.000 1.047 576 R CB 0.946 30.603 30.300 -1.073 0.000 1.016 576 R HN 0.042 nan 8.270 nan 0.000 0.477 577 L N 1.602 122.642 121.223 -0.305 0.000 2.471 577 L HA 0.317 4.658 4.340 0.001 0.000 0.263 577 L C -1.208 175.598 176.870 -0.106 0.000 0.985 577 L CA 0.032 54.776 54.840 -0.159 0.000 0.868 577 L CB 1.908 43.875 42.059 -0.155 0.000 1.203 577 L HN 0.425 nan 8.230 nan 0.000 0.429 578 S N 5.449 121.128 115.700 -0.035 0.000 2.513 578 S HA 0.617 5.088 4.470 0.001 0.000 0.276 578 S C -0.440 173.946 174.600 -0.356 0.000 1.254 578 S CA -0.401 57.678 58.200 -0.203 0.000 1.053 578 S CB 1.116 64.209 63.200 -0.178 0.000 0.958 578 S HN 0.648 nan 8.310 nan 0.000 0.491 579 L N 4.474 125.438 121.223 -0.431 0.000 2.401 579 L HA 0.407 4.748 4.340 0.001 0.000 0.263 579 L C -1.637 175.042 176.870 -0.320 0.000 1.004 579 L CA -0.664 53.994 54.840 -0.303 0.000 0.881 579 L CB 0.405 42.370 42.059 -0.156 0.000 1.219 579 L HN 0.745 nan 8.230 nan 0.000 0.441 580 Y N 4.014 124.336 120.300 0.037 0.000 2.627 580 Y HA 0.532 5.083 4.550 0.001 0.000 0.347 580 Y C 0.679 176.605 175.900 0.044 0.000 1.099 580 Y CA -0.253 57.877 58.100 0.052 0.000 1.408 580 Y CB 0.542 39.042 38.460 0.067 0.000 1.247 580 Y HN 0.628 nan 8.280 nan 0.000 0.506 581 A N 1.663 124.561 122.820 0.131 0.000 2.533 581 A HA 0.679 5.000 4.320 0.001 0.000 0.293 581 A C -1.573 176.053 177.584 0.070 0.000 1.228 581 A CA -1.059 51.022 52.037 0.073 0.000 0.689 581 A CB 1.443 20.454 19.000 0.020 0.000 1.303 581 A HN 0.420 nan 8.150 nan 0.000 0.444 582 D N 0.470 120.894 120.400 0.040 0.000 2.362 582 D HA 0.311 4.952 4.640 0.001 0.000 0.247 582 D C -0.370 175.952 176.300 0.036 0.000 1.050 582 D CA -0.353 53.675 54.000 0.047 0.000 0.839 582 D CB 1.639 42.461 40.800 0.037 0.000 1.283 582 D HN 0.605 nan 8.370 nan 0.000 0.477 583 E N 0.438 120.670 120.200 0.053 0.000 2.445 583 E HA -0.141 4.210 4.350 0.001 0.000 0.204 583 E C 1.276 177.897 176.600 0.035 0.000 1.194 583 E CA 0.402 56.831 56.400 0.049 0.000 0.950 583 E CB 0.345 30.099 29.700 0.089 0.000 0.976 583 E HN 0.330 nan 8.360 nan 0.000 0.519 584 R N -0.040 120.475 120.500 0.024 0.000 2.197 584 R HA 0.024 4.365 4.340 0.001 0.000 0.188 584 R C 1.817 178.117 176.300 0.001 0.000 1.015 584 R CA 0.009 56.118 56.100 0.014 0.000 1.132 584 R CB 0.287 30.596 30.300 0.016 0.000 1.134 584 R HN 0.029 nan 8.270 nan 0.000 0.560 585 I N 2.145 122.711 120.570 -0.007 0.000 2.286 585 I HA -0.187 3.983 4.170 0.001 0.000 0.245 585 I C 2.457 178.562 176.117 -0.020 0.000 1.104 585 I CA 0.997 62.283 61.300 -0.024 0.000 1.397 585 I CB -1.232 36.739 38.000 -0.048 0.000 1.072 585 I HN 0.326 nan 8.210 nan 0.000 0.417 586 L N 0.563 121.778 121.223 -0.013 0.000 2.005 586 L HA -0.195 4.146 4.340 0.001 0.000 0.207 586 L C 2.559 179.421 176.870 -0.014 0.000 1.072 586 L CA 1.532 56.363 54.840 -0.015 0.000 0.744 586 L CB -0.112 41.938 42.059 -0.015 0.000 0.895 586 L HN 0.160 nan 8.230 nan 0.000 0.433 587 S N 0.051 115.746 115.700 -0.008 0.000 2.474 587 S HA -0.054 4.416 4.470 0.001 0.000 0.235 587 S C 1.857 176.452 174.600 -0.008 0.000 0.997 587 S CA 0.876 59.072 58.200 -0.007 0.000 0.949 587 S CB -0.151 63.051 63.200 0.002 0.000 0.766 587 S HN 0.637 nan 8.310 nan 0.000 0.517 588 A N 1.759 124.574 122.820 -0.008 0.000 1.861 588 A HA 0.394 4.715 4.320 0.001 0.000 0.212 588 A C 2.382 179.959 177.584 -0.011 0.000 1.199 588 A CA 1.143 53.174 52.037 -0.009 0.000 0.613 588 A CB -1.226 17.767 19.000 -0.011 0.000 0.846 588 A HN 0.470 nan 8.150 nan 0.000 0.446 589 A N 0.122 122.934 122.820 -0.013 0.000 1.892 589 A HA -0.161 4.159 4.320 0.001 0.000 0.218 589 A C 2.023 179.601 177.584 -0.010 0.000 1.188 589 A CA 1.713 53.744 52.037 -0.011 0.000 0.631 589 A CB -0.665 18.328 19.000 -0.011 0.000 0.822 589 A HN 0.407 nan 8.150 nan 0.000 0.447 590 I N -0.456 120.107 120.570 -0.012 0.000 2.381 590 I HA -0.299 3.872 4.170 0.001 0.000 0.255 590 I C 2.507 178.612 176.117 -0.019 0.000 1.140 590 I CA 1.736 63.028 61.300 -0.014 0.000 1.404 590 I CB -0.896 37.094 38.000 -0.016 0.000 1.075 590 I HN 0.408 nan 8.210 nan 0.000 0.433 591 A N -0.550 122.260 122.820 -0.017 0.000 2.115 591 A HA 0.039 4.360 4.320 0.001 0.000 0.211 591 A C 1.334 178.906 177.584 -0.019 0.000 1.169 591 A CA 0.630 52.656 52.037 -0.019 0.000 0.787 591 A CB -0.493 18.498 19.000 -0.014 0.000 0.858 591 A HN 0.476 nan 8.150 nan 0.000 0.474 592 T N -1.994 112.551 114.554 -0.016 0.000 2.849 592 T HA 0.599 4.950 4.350 0.001 0.000 0.284 592 T C -0.105 174.584 174.700 -0.019 0.000 1.004 592 T CA -0.500 61.592 62.100 -0.014 0.000 1.021 592 T CB 1.152 70.016 68.868 -0.007 0.000 1.013 592 T HN 0.226 nan 8.240 nan 0.000 0.527 593 R N 1.306 121.793 120.500 -0.020 0.000 2.985 593 R HA 0.249 4.590 4.340 0.001 0.000 0.259 593 R C -0.565 175.721 176.300 -0.024 0.000 1.815 593 R CA -0.419 55.664 56.100 -0.029 0.000 1.278 593 R CB 0.788 31.061 30.300 -0.045 0.000 1.403 593 R HN 1.087 nan 8.270 nan 0.000 0.534 594 T N 0.857 115.405 114.554 -0.010 0.000 2.270 594 T HA -0.247 4.104 4.350 0.001 0.000 0.316 594 T C 0.450 175.143 174.700 -0.012 0.000 1.081 594 T CA 0.686 62.786 62.100 0.001 0.000 3.303 594 T CB -0.690 68.183 68.868 0.008 0.000 0.833 594 T HN 0.585 nan 8.240 nan 0.000 0.294 595 E N 2.310 122.502 120.200 -0.013 0.000 2.537 595 E HA 0.033 4.384 4.350 0.001 0.000 0.269 595 E C 0.268 176.838 176.600 -0.050 0.000 1.038 595 E CA -0.318 56.058 56.400 -0.039 0.000 0.977 595 E CB 0.536 30.204 29.700 -0.053 0.000 0.973 595 E HN 0.689 nan 8.360 nan 0.000 0.456 596 R N 1.193 121.650 120.500 -0.070 0.000 2.500 596 R HA 0.145 4.486 4.340 0.001 0.000 0.299 596 R C -0.578 175.666 176.300 -0.093 0.000 1.038 596 R CA -0.883 55.176 56.100 -0.070 0.000 0.903 596 R CB 0.840 31.105 30.300 -0.058 0.000 1.177 596 R HN 0.601 nan 8.270 nan 0.000 0.455 597 R N 2.128 122.553 120.500 -0.125 0.000 2.954 597 R HA 0.496 4.837 4.340 0.001 0.000 0.276 597 R C -0.235 176.021 176.300 -0.073 0.000 1.218 597 R CA 0.074 56.086 56.100 -0.146 0.000 1.149 597 R CB -0.005 30.170 30.300 -0.207 0.000 1.112 597 R HN 0.617 nan 8.270 nan 0.000 0.577 598 S N -4.107 111.556 115.700 -0.062 0.000 3.618 598 S HA 0.078 4.549 4.470 0.001 0.000 0.741 598 S C 0.161 174.804 174.600 0.072 0.000 0.965 598 S CA -0.086 58.133 58.200 0.032 0.000 1.137 598 S CB -1.420 61.799 63.200 0.030 0.000 0.686 598 S HN 1.530 nan 8.310 nan 0.000 0.388 599 G N 0.737 109.631 108.800 0.156 0.000 3.441 599 G HA2 0.414 4.375 3.960 0.001 0.000 0.263 599 G HA3 0.414 4.375 3.960 0.001 0.000 0.263 599 G C 1.025 175.939 174.900 0.024 0.000 1.014 599 G CA 0.404 45.584 45.100 0.134 0.000 0.833 599 G HN 0.812 nan 8.290 nan 0.000 0.514 600 L N 0.513 121.722 121.223 -0.023 0.000 2.191 600 L HA -0.035 4.306 4.340 0.001 0.000 0.212 600 L C 3.074 179.893 176.870 -0.084 0.000 1.103 600 L CA 1.224 55.960 54.840 -0.173 0.000 0.769 600 L CB -0.005 41.992 42.059 -0.103 0.000 0.908 600 L HN 0.332 nan 8.230 nan 0.000 0.438 601 A N -0.413 122.427 122.820 0.033 0.000 1.898 601 A HA -0.132 4.189 4.320 0.001 0.000 0.216 601 A C 2.419 180.143 177.584 0.234 0.000 1.181 601 A CA 1.589 53.691 52.037 0.110 0.000 0.620 601 A CB -0.511 18.502 19.000 0.022 0.000 0.819 601 A HN 0.444 nan 8.150 nan 0.000 0.442 602 A N -0.299 122.595 122.820 0.124 0.000 1.874 602 A HA 0.120 4.441 4.320 0.001 0.000 0.214 602 A C 1.989 179.626 177.584 0.089 0.000 1.189 602 A CA 1.094 53.203 52.037 0.121 0.000 0.615 602 A CB -0.618 18.434 19.000 0.086 0.000 0.830 602 A HN 0.423 nan 8.150 nan 0.000 0.443 603 L N -1.377 119.835 121.223 -0.019 0.000 2.450 603 L HA -0.140 4.201 4.340 0.001 0.000 0.225 603 L C 1.602 178.438 176.870 -0.057 0.000 1.145 603 L CA 0.938 55.714 54.840 -0.106 0.000 0.801 603 L CB -0.463 41.434 42.059 -0.271 0.000 0.924 603 L HN 0.458 nan 8.230 nan 0.000 0.447 604 F N -2.104 117.922 119.950 0.126 0.000 2.695 604 F HA 0.060 4.588 4.527 0.001 0.000 0.303 604 F C 1.883 177.629 175.800 -0.091 0.000 1.091 604 F CA -0.276 57.777 58.000 0.088 0.000 1.300 604 F CB 0.497 39.705 39.000 0.347 0.000 1.071 604 F HN -0.057 nan 8.300 nan 0.000 0.578 605 S N -0.926 114.857 115.700 0.137 0.000 2.578 605 S HA 0.036 4.507 4.470 0.001 0.000 0.228 605 S C 0.708 175.323 174.600 0.026 0.000 1.022 605 S CA 0.217 58.428 58.200 0.019 0.000 0.967 605 S CB -0.039 63.201 63.200 0.067 0.000 0.914 605 S HN 0.400 nan 8.310 nan 0.000 0.515 606 S N 0.000 115.729 115.700 0.049 0.000 2.498 606 S HA 0.000 4.471 4.470 0.001 0.000 0.327 606 S CA 0.000 58.222 58.200 0.037 0.000 1.107 606 S CB 0.000 63.220 63.200 0.033 0.000 0.593 606 S HN 0.000 nan 8.310 nan 0.000 0.517