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 3oh4_1_A DATA FIRST_RESID 3 DATA SEQUENCE NPSNSNLQAL REELCTPGLD QGHLFEGWPE TVDECNERQI ALLTDLYMFS DATA SEQUENCE NMYPGGVAQY IRNGHELLAR ESEEVDFAAL EMPPLIFEAP SLHRRTAERT DATA SEQUENCE ALENAGTAML CKTVFVLVAG GLGERLGYSS IKVSLPVETA TNTTYLAYYL DATA SEQUENCE RWAQRVGGKE VPFVIMTSDD THDRTLQLLR ELQLEVPNLH VLKQGQVFCF DATA SEQUENCE ADSAAHLALD ETGKLLRKPH GHGDVHSLIY NATVXXXXXX XXXXXXXXAQ DATA SEQUENCE PLVNDWLAAG YESIVFIQDT NAGATITIPI SLALSAEHSL DMNFTCIPRV DATA SEQUENCE PKEPIGLLCR TKKNSGDPWL VANVEYNVFA EVSRALNKDX XXXXXXXXGF DATA SEQUENCE SPFPGSVNTL VFKLSSYVDR LRESHGIVPE FINPKYSDET RRSFKKPARI DATA SEQUENCE ESLMQDIALL FSEDDYRVGG TVFERFSYQP VKNSLEEAAG LVAQGNGAYC DATA SEQUENCE AATGEAAFYE LQRRRLKAIG LPLFYSSQPE VTVAKDAFGV RLFPIIVLDT DATA SEQUENCE VCASSGSLDD LARVFPTPEK VHIDQHSTLI VEGRVIIESL ELYGALTIRG DATA SEQUENCE PTDSMALPHV VRNAVVRNAG WSVHAILSLC AGRDSRLSEV DRIRGFVLKK DATA SEQUENCE TAMAVMDC 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.505 175.510 -0.008 0.000 1.280 3 N CA 0.000 53.068 53.050 0.030 0.000 0.885 3 N CB 0.000 38.533 38.487 0.077 0.000 1.341 4 P HA 0.314 nan 4.420 nan 0.000 0.282 4 P C -0.504 176.646 177.300 -0.249 0.000 1.274 4 P CA -0.075 62.821 63.100 -0.340 0.000 0.770 4 P CB 1.068 32.429 31.700 -0.566 0.000 0.867 5 S N 1.969 117.541 115.700 -0.212 0.000 2.585 5 S HA 0.097 4.597 4.470 0.049 0.000 0.273 5 S C 1.107 175.623 174.600 -0.140 0.000 1.339 5 S CA -0.524 57.600 58.200 -0.127 0.000 1.028 5 S CB 0.623 63.778 63.200 -0.075 0.000 0.906 5 S HN 0.238 nan 8.310 nan 0.000 0.528 6 N N 1.477 120.126 118.700 -0.086 0.000 2.272 6 N HA -0.099 4.671 4.740 0.049 0.000 0.185 6 N C 1.790 177.266 175.510 -0.057 0.000 1.014 6 N CA 1.358 54.368 53.050 -0.066 0.000 0.870 6 N CB -0.594 37.868 38.487 -0.042 0.000 0.975 6 N HN 0.694 nan 8.380 nan 0.000 0.433 7 S N 0.423 116.092 115.700 -0.052 0.000 2.345 7 S HA -0.014 4.485 4.470 0.049 0.000 0.219 7 S C 1.668 176.250 174.600 -0.030 0.000 1.031 7 S CA 0.806 58.986 58.200 -0.032 0.000 0.984 7 S CB -0.172 63.016 63.200 -0.020 0.000 0.874 7 S HN 0.267 nan 8.310 nan 0.000 0.451 8 N N 1.577 120.245 118.700 -0.054 0.000 2.149 8 N HA -0.025 4.745 4.740 0.049 0.000 0.188 8 N C 1.752 177.251 175.510 -0.018 0.000 1.019 8 N CA 1.069 54.105 53.050 -0.023 0.000 0.857 8 N CB -0.600 37.838 38.487 -0.081 0.000 0.997 8 N HN 0.423 nan 8.380 nan 0.000 0.426 9 L N 0.577 121.735 121.223 -0.109 0.000 2.046 9 L HA -0.192 4.178 4.340 0.049 0.000 0.208 9 L C 2.531 179.406 176.870 0.009 0.000 1.077 9 L CA 1.118 55.934 54.840 -0.039 0.000 0.747 9 L CB -0.425 41.601 42.059 -0.055 0.000 0.896 9 L HN 0.141 nan 8.230 nan 0.000 0.432 10 Q N 0.372 120.162 119.800 -0.015 0.000 2.084 10 Q HA -0.182 4.188 4.340 0.049 0.000 0.202 10 Q C 2.155 178.132 176.000 -0.038 0.000 0.978 10 Q CA 2.072 57.853 55.803 -0.035 0.000 0.844 10 Q CB -0.245 28.476 28.738 -0.029 0.000 0.898 10 Q HN 0.430 nan 8.270 nan 0.000 0.426 11 A N 0.041 122.862 122.820 0.002 0.000 1.902 11 A HA -0.147 4.202 4.320 0.049 0.000 0.217 11 A C 2.001 179.605 177.584 0.033 0.000 1.181 11 A CA 1.542 53.591 52.037 0.020 0.000 0.623 11 A CB -0.832 18.198 19.000 0.049 0.000 0.818 11 A HN 0.477 nan 8.150 nan 0.000 0.443 12 L N -0.129 121.142 121.223 0.080 0.000 2.093 12 L HA -0.064 4.306 4.340 0.049 0.000 0.208 12 L C 2.438 179.325 176.870 0.028 0.000 1.085 12 L CA 2.249 57.153 54.840 0.106 0.000 0.755 12 L CB -0.632 41.564 42.059 0.228 0.000 0.904 12 L HN 0.495 nan 8.230 nan 0.000 0.435 13 R N -0.259 120.196 120.500 -0.075 0.000 2.083 13 R HA -0.214 4.156 4.340 0.049 0.000 0.237 13 R C 2.098 178.194 176.300 -0.339 0.000 1.137 13 R CA 2.148 58.023 56.100 -0.375 0.000 0.951 13 R CB -0.292 29.657 30.300 -0.585 0.000 0.851 13 R HN 0.523 nan 8.270 nan 0.000 0.434 14 E N 0.029 120.111 120.200 -0.196 0.000 2.106 14 E HA -0.218 4.161 4.350 0.049 0.000 0.192 14 E C 1.961 178.530 176.600 -0.052 0.000 0.984 14 E CA 1.291 57.616 56.400 -0.125 0.000 0.806 14 E CB -0.073 29.580 29.700 -0.078 0.000 0.750 14 E HN 0.484 nan 8.360 nan 0.000 0.458 15 E N 1.002 121.192 120.200 -0.016 0.000 2.085 15 E HA -0.194 4.185 4.350 0.049 0.000 0.194 15 E C 1.914 178.540 176.600 0.044 0.000 0.994 15 E CA 0.806 57.220 56.400 0.023 0.000 0.801 15 E CB -0.009 29.718 29.700 0.044 0.000 0.743 15 E HN 0.236 nan 8.360 nan 0.000 0.453 16 L N 0.197 121.455 121.223 0.059 0.000 2.551 16 L HA -0.098 4.272 4.340 0.049 0.000 0.228 16 L C 1.975 178.919 176.870 0.123 0.000 1.153 16 L CA 0.040 54.945 54.840 0.109 0.000 0.851 16 L CB 0.042 42.203 42.059 0.171 0.000 0.959 16 L HN 0.342 nan 8.230 nan 0.000 0.451 17 C N -1.010 118.334 119.300 0.074 0.000 2.780 17 C HA 0.058 4.547 4.460 0.049 0.000 0.267 17 C C 1.762 176.784 174.990 0.053 0.000 1.266 17 C CA -0.081 58.979 59.018 0.070 0.000 1.709 17 C CB -0.742 27.006 27.740 0.014 0.000 1.975 17 C HN 0.528 nan 8.230 nan 0.000 0.582 18 T N 0.155 114.736 114.554 0.045 0.000 2.860 18 T HA 0.249 4.629 4.350 0.049 0.000 0.299 18 T C -2.825 171.902 174.700 0.044 0.000 1.045 18 T CA -1.130 60.991 62.100 0.036 0.000 1.071 18 T CB 0.198 69.083 68.868 0.029 0.000 0.985 18 T HN -0.007 nan 8.240 nan 0.000 0.537 19 P HA 0.266 nan 4.420 nan 0.000 0.264 19 P C 1.145 178.452 177.300 0.011 0.000 1.193 19 P CA 1.167 64.277 63.100 0.018 0.000 0.763 19 P CB 0.192 31.893 31.700 0.003 0.000 0.810 20 G N 2.048 110.847 108.800 -0.002 0.000 2.254 20 G HA2 -0.252 3.737 3.960 0.049 0.000 0.225 20 G HA3 -0.252 3.737 3.960 0.049 0.000 0.225 20 G C 0.605 175.566 174.900 0.102 0.000 1.003 20 G CA 0.173 45.257 45.100 -0.027 0.000 0.622 20 G HN 0.475 nan 8.290 nan 0.000 0.507 21 L N -0.508 120.785 121.223 0.116 0.000 2.519 21 L HA 0.308 4.678 4.340 0.049 0.000 0.194 21 L C 0.773 177.737 176.870 0.157 0.000 1.072 21 L CA 0.549 55.482 54.840 0.154 0.000 0.845 21 L CB -0.065 42.065 42.059 0.119 0.000 1.138 21 L HN 0.132 nan 8.230 nan 0.000 0.487 22 D N 1.530 122.016 120.400 0.142 0.000 2.697 22 D HA -0.173 4.496 4.640 0.049 0.000 0.235 22 D C 0.132 176.592 176.300 0.267 0.000 1.167 22 D CA 0.498 54.611 54.000 0.188 0.000 0.656 22 D CB -0.492 40.437 40.800 0.216 0.000 1.025 22 D HN 0.390 nan 8.370 nan 0.000 0.419 23 Q N -0.809 119.088 119.800 0.161 0.000 2.268 23 Q HA 0.233 4.603 4.340 0.049 0.000 0.289 23 Q C 1.811 177.707 176.000 -0.175 0.000 0.893 23 Q CA 0.183 55.987 55.803 0.002 0.000 1.057 23 Q CB 0.735 29.423 28.738 -0.084 0.000 1.173 23 Q HN 0.460 nan 8.270 nan 0.000 0.449 24 G N 1.024 109.835 108.800 0.020 0.000 2.448 24 G HA2 -0.256 3.733 3.960 0.049 0.000 0.219 24 G HA3 -0.256 3.733 3.960 0.049 0.000 0.219 24 G C 1.244 176.053 174.900 -0.150 0.000 1.127 24 G CA 0.746 45.868 45.100 0.037 0.000 0.766 24 G HN 0.573 nan 8.290 nan 0.000 0.552 25 H N 0.271 119.227 119.070 -0.191 0.000 2.521 25 H HA 0.113 4.699 4.556 0.049 0.000 0.286 25 H C 2.076 177.188 175.328 -0.361 0.000 1.034 25 H CA 0.550 56.457 56.048 -0.234 0.000 1.278 25 H CB -0.425 29.199 29.762 -0.230 0.000 1.386 25 H HN 0.349 nan 8.280 nan 0.000 0.567 26 L N -0.255 120.308 121.223 -1.100 0.000 2.313 26 L HA -0.000 4.369 4.340 0.049 0.000 0.214 26 L C 1.004 177.041 176.870 -1.388 0.000 1.119 26 L CA 0.779 54.887 54.840 -1.220 0.000 0.809 26 L CB -0.234 40.857 42.059 -1.614 0.000 0.933 26 L HN 0.120 nan 8.230 nan 0.000 0.449 27 F N -0.796 118.636 119.950 -0.863 0.000 2.708 27 F HA 0.240 4.796 4.527 0.050 0.000 0.300 27 F C 0.750 176.126 175.800 -0.707 0.000 1.118 27 F CA -0.672 56.469 58.000 -1.431 0.000 1.307 27 F CB -0.074 38.313 39.000 -1.022 0.000 0.986 27 F HN -0.096 nan 8.300 nan 0.000 0.522 28 E N 0.924 120.980 120.200 -0.241 0.000 2.417 28 E HA 0.256 4.636 4.350 0.049 0.000 0.261 28 E C 1.179 177.916 176.600 0.229 0.000 1.000 28 E CA 0.769 57.179 56.400 0.016 0.000 0.919 28 E CB 0.425 30.135 29.700 0.018 0.000 0.955 28 E HN 0.568 nan 8.360 nan 0.000 0.455 29 G N 3.199 112.132 108.800 0.222 0.000 2.143 29 G HA2 -0.246 3.744 3.960 0.049 0.000 0.248 29 G HA3 -0.246 3.744 3.960 0.049 0.000 0.248 29 G C -0.528 174.597 174.900 0.374 0.000 0.991 29 G CA -0.165 45.084 45.100 0.249 0.000 0.689 29 G HN 0.417 nan 8.290 nan 0.000 0.522 30 W N 1.205 122.540 121.300 0.058 0.000 2.303 30 W HA 0.598 5.288 4.660 0.049 0.000 0.334 30 W C -1.062 175.474 176.519 0.028 0.000 1.197 30 W CA -2.308 55.070 57.345 0.056 0.000 1.262 30 W CB -0.025 29.497 29.460 0.102 0.000 1.153 30 W HN 0.051 nan 8.180 nan 0.000 0.596 31 P HA 0.004 nan 4.420 nan 0.000 0.272 31 P C 0.510 177.878 177.300 0.112 0.000 1.240 31 P CA -0.048 63.113 63.100 0.102 0.000 0.791 31 P CB 1.018 32.737 31.700 0.032 0.000 0.978 32 E N -0.240 119.997 120.200 0.063 0.000 2.085 32 E HA -0.119 4.261 4.350 0.049 0.000 0.194 32 E C 0.249 176.866 176.600 0.029 0.000 0.994 32 E CA 1.097 57.521 56.400 0.040 0.000 0.801 32 E CB 0.201 29.913 29.700 0.021 0.000 0.743 32 E HN 0.447 nan 8.360 nan 0.000 0.453 33 T N -1.488 113.082 114.554 0.027 0.000 2.926 33 T HA 0.272 4.652 4.350 0.049 0.000 0.289 33 T C 1.000 175.710 174.700 0.018 0.000 1.054 33 T CA -0.623 61.485 62.100 0.014 0.000 1.015 33 T CB 1.850 70.718 68.868 0.001 0.000 1.167 33 T HN -0.123 nan 8.240 nan 0.000 0.526 34 V N 1.837 121.756 119.914 0.008 0.000 2.261 34 V HA -0.135 4.014 4.120 0.049 0.000 0.246 34 V C 2.092 178.175 176.094 -0.018 0.000 1.047 34 V CA 2.259 64.560 62.300 0.002 0.000 1.015 34 V CB -0.695 31.124 31.823 -0.006 0.000 0.642 34 V HN 0.846 nan 8.190 nan 0.000 0.446 35 D N 0.238 120.627 120.400 -0.019 0.000 2.172 35 D HA -0.217 4.453 4.640 0.049 0.000 0.196 35 D C 2.084 178.364 176.300 -0.032 0.000 0.999 35 D CA 1.650 55.635 54.000 -0.025 0.000 0.856 35 D CB -0.295 40.494 40.800 -0.019 0.000 0.934 35 D HN 0.634 nan 8.370 nan 0.000 0.453 36 E N -0.273 119.910 120.200 -0.028 0.000 2.208 36 E HA -0.023 4.357 4.350 0.049 0.000 0.193 36 E C 0.480 177.041 176.600 -0.065 0.000 0.988 36 E CA 0.200 56.580 56.400 -0.034 0.000 0.828 36 E CB -0.020 29.670 29.700 -0.017 0.000 0.763 36 E HN 0.237 nan 8.360 nan 0.000 0.478 37 C N 2.775 122.028 119.300 -0.080 0.000 2.689 37 C HA 0.083 4.573 4.460 0.049 0.000 0.409 37 C C 0.964 175.856 174.990 -0.162 0.000 1.293 37 C CA -1.059 57.860 59.018 -0.164 0.000 2.136 37 C CB -0.487 27.149 27.740 -0.174 0.000 2.719 37 C HN 0.476 nan 8.230 nan 0.000 0.644 38 N N 0.975 119.541 118.700 -0.223 0.000 2.514 38 N HA 0.224 4.994 4.740 0.049 0.000 0.299 38 N C 0.831 176.249 175.510 -0.153 0.000 1.292 38 N CA -0.378 52.573 53.050 -0.165 0.000 0.963 38 N CB 0.035 38.425 38.487 -0.162 0.000 1.124 38 N HN 0.756 nan 8.380 nan 0.000 0.580 39 E N -0.656 119.478 120.200 -0.111 0.000 2.028 39 E HA -0.146 4.233 4.350 0.049 0.000 0.191 39 E C 1.429 177.977 176.600 -0.087 0.000 0.988 39 E CA 0.589 56.941 56.400 -0.080 0.000 0.799 39 E CB -0.199 29.469 29.700 -0.054 0.000 0.755 39 E HN 0.320 nan 8.360 nan 0.000 0.447 40 R N 1.188 121.627 120.500 -0.102 0.000 2.096 40 R HA -0.167 4.203 4.340 0.049 0.000 0.240 40 R C 2.325 178.555 176.300 -0.116 0.000 1.139 40 R CA 1.967 58.015 56.100 -0.086 0.000 0.952 40 R CB -0.873 29.375 30.300 -0.087 0.000 0.854 40 R HN 0.499 nan 8.270 nan 0.000 0.436 41 Q N 0.049 119.672 119.800 -0.296 0.000 1.990 41 Q HA -0.022 4.347 4.340 0.049 0.000 0.200 41 Q C 2.145 178.037 176.000 -0.181 0.000 0.980 41 Q CA 0.860 56.324 55.803 -0.565 0.000 0.832 41 Q CB -0.119 27.851 28.738 -1.280 0.000 0.897 41 Q HN 0.169 nan 8.270 nan 0.000 0.427 42 I N 1.011 121.494 120.570 -0.145 0.000 2.399 42 I HA -0.244 3.955 4.170 0.049 0.000 0.254 42 I C 2.183 178.325 176.117 0.042 0.000 1.146 42 I CA 1.274 62.564 61.300 -0.017 0.000 1.412 42 I CB -1.386 36.589 38.000 -0.042 0.000 1.076 42 I HN 0.170 nan 8.210 nan 0.000 0.432 43 A N 0.078 122.915 122.820 0.027 0.000 1.970 43 A HA -0.118 4.231 4.320 0.049 0.000 0.216 43 A C 2.268 179.914 177.584 0.104 0.000 1.170 43 A CA 0.777 52.846 52.037 0.055 0.000 0.645 43 A CB -0.552 18.466 19.000 0.030 0.000 0.816 43 A HN 0.337 nan 8.150 nan 0.000 0.447 44 L N -0.484 120.826 121.223 0.145 0.000 2.072 44 L HA 0.040 4.410 4.340 0.049 0.000 0.205 44 L C 2.175 179.173 176.870 0.212 0.000 1.079 44 L CA 1.410 56.360 54.840 0.184 0.000 0.752 44 L CB -0.446 41.775 42.059 0.270 0.000 0.906 44 L HN 0.384 nan 8.230 nan 0.000 0.436 45 L N -1.266 120.141 121.223 0.307 0.000 2.265 45 L HA -0.205 4.165 4.340 0.049 0.000 0.215 45 L C 2.119 179.123 176.870 0.223 0.000 1.117 45 L CA 1.309 56.326 54.840 0.295 0.000 0.782 45 L CB -0.405 41.851 42.059 0.327 0.000 0.914 45 L HN 0.344 nan 8.230 nan 0.000 0.441 46 T N -0.724 113.939 114.554 0.180 0.000 2.698 46 T HA -0.150 4.230 4.350 0.049 0.000 0.260 46 T C 1.455 176.295 174.700 0.234 0.000 1.044 46 T CA 1.438 63.642 62.100 0.173 0.000 1.149 46 T CB -0.243 68.692 68.868 0.111 0.000 0.864 46 T HN 0.537 nan 8.240 nan 0.000 0.419 47 D N 1.473 121.994 120.400 0.201 0.000 2.310 47 D HA -0.047 4.622 4.640 0.049 0.000 0.212 47 D C 2.067 178.567 176.300 0.332 0.000 0.965 47 D CA 0.511 54.656 54.000 0.241 0.000 0.879 47 D CB -0.583 40.339 40.800 0.203 0.000 0.921 47 D HN 0.340 nan 8.370 nan 0.000 0.510 48 L N -0.743 120.621 121.223 0.235 0.000 2.056 48 L HA -0.168 4.202 4.340 0.049 0.000 0.207 48 L C 2.593 179.639 176.870 0.293 0.000 1.078 48 L CA 1.146 56.089 54.840 0.172 0.000 0.749 48 L CB -0.478 41.619 42.059 0.063 0.000 0.901 48 L HN 0.005 nan 8.230 nan 0.000 0.433 49 Y N -0.228 120.177 120.300 0.175 0.000 2.184 49 Y HA -0.215 4.365 4.550 0.049 0.000 0.290 49 Y C 2.601 178.607 175.900 0.176 0.000 1.129 49 Y CA 1.363 59.559 58.100 0.159 0.000 1.144 49 Y CB 0.097 38.626 38.460 0.115 0.000 0.995 49 Y HN 0.038 nan 8.280 nan 0.000 0.513 50 M N -0.799 119.005 119.600 0.339 0.000 2.460 50 M HA -0.185 4.324 4.480 0.049 0.000 0.263 50 M C 2.042 178.446 176.300 0.174 0.000 1.071 50 M CA 1.100 56.538 55.300 0.231 0.000 1.096 50 M CB -1.605 31.128 32.600 0.222 0.000 1.408 50 M HN 0.434 nan 8.290 nan 0.000 0.463 51 F N 1.208 121.196 119.950 0.064 0.000 2.192 51 F HA -0.263 4.294 4.527 0.049 0.000 0.301 51 F C 2.288 178.094 175.800 0.010 0.000 1.079 51 F CA 1.077 59.088 58.000 0.019 0.000 1.303 51 F CB 0.112 39.190 39.000 0.130 0.000 1.024 51 F HN 0.118 nan 8.300 nan 0.000 0.494 52 S N 0.547 116.239 115.700 -0.014 0.000 2.380 52 S HA -0.306 4.194 4.470 0.049 0.000 0.229 52 S C 1.277 175.792 174.600 -0.141 0.000 1.043 52 S CA 1.831 59.963 58.200 -0.114 0.000 1.038 52 S CB -0.829 62.263 63.200 -0.181 0.000 0.872 52 S HN 0.706 nan 8.310 nan 0.000 0.456 53 N N 0.188 118.826 118.700 -0.103 0.000 2.434 53 N HA 0.137 4.906 4.740 0.049 0.000 0.196 53 N C 0.969 176.411 175.510 -0.113 0.000 1.183 53 N CA 0.221 53.222 53.050 -0.081 0.000 0.849 53 N CB 0.008 38.479 38.487 -0.026 0.000 0.992 53 N HN 0.401 nan 8.380 nan 0.000 0.460 54 M N -1.552 117.917 119.600 -0.218 0.000 2.296 54 M HA 0.289 4.799 4.480 0.049 0.000 0.291 54 M C -1.076 175.012 176.300 -0.354 0.000 1.013 54 M CA -0.149 54.991 55.300 -0.266 0.000 1.089 54 M CB 0.763 33.198 32.600 -0.276 0.000 1.677 54 M HN 0.131 nan 8.290 nan 0.000 0.584 55 Y N 1.329 121.244 120.300 -0.641 0.000 2.479 55 Y HA 0.488 5.067 4.550 0.049 0.000 0.338 55 Y C -2.726 172.979 175.900 -0.324 0.000 1.055 55 Y CA -2.008 55.738 58.100 -0.590 0.000 1.023 55 Y CB 1.608 39.422 38.460 -1.077 0.000 1.287 55 Y HN -0.036 nan 8.280 nan 0.000 0.447 56 P HA 0.203 nan 4.420 nan 0.000 0.261 56 P C 0.399 177.616 177.300 -0.139 0.000 1.203 56 P CA 1.865 64.750 63.100 -0.358 0.000 0.767 56 P CB 0.446 31.891 31.700 -0.424 0.000 0.785 57 G N 2.739 111.516 108.800 -0.039 0.000 2.143 57 G HA2 -0.004 3.985 3.960 0.049 0.000 0.249 57 G HA3 -0.004 3.985 3.960 0.049 0.000 0.249 57 G C 0.641 175.628 174.900 0.145 0.000 0.981 57 G CA 0.252 45.383 45.100 0.051 0.000 0.665 57 G HN 0.943 nan 8.290 nan 0.000 0.528 58 G N -1.622 107.269 108.800 0.151 0.000 2.633 58 G HA2 -0.044 3.946 3.960 0.049 0.000 0.263 58 G HA3 -0.044 3.946 3.960 0.049 0.000 0.263 58 G C 1.272 176.464 174.900 0.487 0.000 1.310 58 G CA 1.610 46.849 45.100 0.232 0.000 0.914 58 G HN 1.681 nan 8.290 nan 0.000 0.569 59 V N 0.610 120.842 119.914 0.531 0.000 2.515 59 V HA 0.119 4.269 4.120 0.049 0.000 0.250 59 V C 3.161 179.449 176.094 0.323 0.000 1.058 59 V CA 3.206 65.782 62.300 0.459 0.000 1.064 59 V CB -1.031 30.913 31.823 0.200 0.000 0.675 59 V HN 1.911 nan 8.190 nan 0.000 0.461 60 A N -0.594 122.371 122.820 0.243 0.000 1.877 60 A HA -0.280 4.070 4.320 0.049 0.000 0.216 60 A C 2.137 179.852 177.584 0.219 0.000 1.186 60 A CA 2.154 54.305 52.037 0.191 0.000 0.620 60 A CB -0.698 18.385 19.000 0.137 0.000 0.822 60 A HN 0.605 nan 8.150 nan 0.000 0.443 61 Q N -1.699 118.255 119.800 0.256 0.000 2.167 61 Q HA -0.151 4.218 4.340 0.049 0.000 0.202 61 Q C 1.750 177.963 176.000 0.354 0.000 0.970 61 Q CA 1.884 57.845 55.803 0.263 0.000 0.855 61 Q CB -0.621 28.261 28.738 0.239 0.000 0.911 61 Q HN 0.731 nan 8.270 nan 0.000 0.438 62 Y N -0.009 120.479 120.300 0.314 0.000 2.181 62 Y HA -0.190 4.390 4.550 0.049 0.000 0.288 62 Y C 1.710 177.744 175.900 0.223 0.000 1.146 62 Y CA 1.869 60.090 58.100 0.202 0.000 1.164 62 Y CB -0.114 38.370 38.460 0.039 0.000 0.982 62 Y HN 0.143 nan 8.280 nan 0.000 0.515 63 I N -0.088 120.665 120.570 0.305 0.000 2.226 63 I HA -0.331 3.869 4.170 0.049 0.000 0.245 63 I C 2.407 178.433 176.117 -0.152 0.000 1.100 63 I CA 1.492 62.852 61.300 0.100 0.000 1.374 63 I CB -0.397 37.668 38.000 0.108 0.000 1.057 63 I HN 0.178 nan 8.210 nan 0.000 0.413 64 R N 0.532 121.057 120.500 0.041 0.000 2.115 64 R HA -0.101 4.269 4.340 0.049 0.000 0.230 64 R C 1.989 178.307 176.300 0.031 0.000 1.111 64 R CA 1.135 57.291 56.100 0.094 0.000 0.976 64 R CB -0.433 29.943 30.300 0.128 0.000 0.870 64 R HN 0.418 nan 8.270 nan 0.000 0.445 65 N N 0.384 119.093 118.700 0.015 0.000 2.188 65 N HA -0.095 4.675 4.740 0.049 0.000 0.184 65 N C 1.836 177.292 175.510 -0.090 0.000 1.018 65 N CA 1.427 54.475 53.050 -0.002 0.000 0.858 65 N CB -0.624 37.896 38.487 0.054 0.000 0.989 65 N HN 0.302 nan 8.380 nan 0.000 0.426 66 G N 1.310 109.977 108.800 -0.221 0.000 2.446 66 G HA2 -0.264 3.725 3.960 0.049 0.000 0.217 66 G HA3 -0.264 3.725 3.960 0.049 0.000 0.217 66 G C 1.304 175.970 174.900 -0.390 0.000 1.168 66 G CA 0.827 45.672 45.100 -0.425 0.000 0.771 66 G HN 0.369 nan 8.290 nan 0.000 0.551 67 H N 0.292 119.209 119.070 -0.256 0.000 2.290 67 H HA -0.090 4.495 4.556 0.050 0.000 0.298 67 H C 2.393 177.656 175.328 -0.108 0.000 1.087 67 H CA 1.634 57.572 56.048 -0.184 0.000 1.291 67 H CB -0.480 29.201 29.762 -0.135 0.000 1.369 67 H HN 0.571 nan 8.280 nan 0.000 0.492 68 E N 0.661 120.894 120.200 0.054 0.000 2.110 68 E HA -0.128 4.252 4.350 0.049 0.000 0.193 68 E C 2.287 178.897 176.600 0.016 0.000 0.988 68 E CA 0.717 57.135 56.400 0.029 0.000 0.804 68 E CB 0.000 29.717 29.700 0.028 0.000 0.745 68 E HN 0.334 nan 8.360 nan 0.000 0.458 69 L N 0.281 121.505 121.223 0.001 0.000 2.044 69 L HA -0.129 4.241 4.340 0.049 0.000 0.205 69 L C 2.586 179.472 176.870 0.027 0.000 1.075 69 L CA 0.665 55.517 54.840 0.019 0.000 0.747 69 L CB -0.331 41.739 42.059 0.018 0.000 0.903 69 L HN 0.213 nan 8.230 nan 0.000 0.435 70 L N -0.242 120.982 121.223 0.001 0.000 2.187 70 L HA -0.204 4.166 4.340 0.049 0.000 0.213 70 L C 2.787 179.689 176.870 0.054 0.000 1.100 70 L CA 1.010 55.875 54.840 0.042 0.000 0.765 70 L CB -0.680 41.385 42.059 0.009 0.000 0.904 70 L HN 0.259 nan 8.230 nan 0.000 0.437 71 A N 0.175 123.013 122.820 0.031 0.000 1.872 71 A HA -0.202 4.148 4.320 0.049 0.000 0.214 71 A C 2.443 180.038 177.584 0.019 0.000 1.187 71 A CA 1.426 53.475 52.037 0.021 0.000 0.614 71 A CB -0.490 18.515 19.000 0.007 0.000 0.826 71 A HN 0.361 nan 8.150 nan 0.000 0.442 72 R N -0.346 120.165 120.500 0.019 0.000 2.189 72 R HA -0.091 4.279 4.340 0.049 0.000 0.223 72 R C 1.772 178.086 176.300 0.023 0.000 1.092 72 R CA 1.431 57.537 56.100 0.011 0.000 0.989 72 R CB -0.131 30.175 30.300 0.011 0.000 0.876 72 R HN 0.526 nan 8.270 nan 0.000 0.457 73 E N 0.045 120.276 120.200 0.052 0.000 2.481 73 E HA -0.068 4.311 4.350 0.049 0.000 0.195 73 E C 1.141 177.787 176.600 0.077 0.000 1.047 73 E CA 0.455 56.903 56.400 0.079 0.000 0.867 73 E CB 0.248 30.018 29.700 0.117 0.000 0.858 73 E HN 0.282 nan 8.360 nan 0.000 0.513 74 S N 0.070 115.801 115.700 0.052 0.000 2.458 74 S HA -0.009 4.491 4.470 0.049 0.000 0.223 74 S C 0.555 175.157 174.600 0.003 0.000 1.019 74 S CA -0.019 58.199 58.200 0.029 0.000 0.937 74 S CB 0.167 63.380 63.200 0.022 0.000 0.788 74 S HN 0.165 nan 8.310 nan 0.000 0.511 75 E N 2.024 122.223 120.200 -0.003 0.000 2.319 75 E HA 0.193 4.573 4.350 0.049 0.000 0.268 75 E C -0.565 176.020 176.600 -0.024 0.000 1.050 75 E CA -0.290 56.099 56.400 -0.020 0.000 0.878 75 E CB 0.474 30.156 29.700 -0.030 0.000 1.066 75 E HN 0.530 nan 8.360 nan 0.000 0.406 76 E N 0.902 121.083 120.200 -0.032 0.000 2.324 76 E HA 0.162 4.541 4.350 0.049 0.000 0.271 76 E C -0.203 176.361 176.600 -0.060 0.000 1.028 76 E CA -0.338 56.041 56.400 -0.035 0.000 0.890 76 E CB 0.615 30.296 29.700 -0.032 0.000 1.004 76 E HN 0.148 nan 8.360 nan 0.000 0.431 77 V N 3.265 123.142 119.914 -0.061 0.000 2.763 77 V HA 0.053 4.203 4.120 0.049 0.000 0.306 77 V C 0.282 176.296 176.094 -0.133 0.000 1.059 77 V CA 0.444 62.671 62.300 -0.122 0.000 1.138 77 V CB 0.632 32.409 31.823 -0.077 0.000 0.940 77 V HN 0.785 nan 8.190 nan 0.000 0.489 78 D N 2.050 122.280 120.400 -0.284 0.000 2.769 78 D HA 0.401 5.071 4.640 0.049 0.000 0.219 78 D C -1.676 174.389 176.300 -0.392 0.000 1.245 78 D CA -0.422 53.467 54.000 -0.185 0.000 0.801 78 D CB 1.694 42.435 40.800 -0.099 0.000 1.598 78 D HN 0.239 nan 8.370 nan 0.000 0.485 79 F N 1.280 121.208 119.950 -0.036 0.000 2.482 79 F HA 0.536 5.093 4.527 0.049 0.000 0.331 79 F C 1.510 177.280 175.800 -0.050 0.000 1.115 79 F CA -0.792 57.181 58.000 -0.043 0.000 0.955 79 F CB 2.094 41.075 39.000 -0.032 0.000 1.136 79 F HN 0.474 nan 8.300 nan 0.000 0.452 80 A N 2.686 125.546 122.820 0.067 0.000 1.948 80 A HA 0.249 4.599 4.320 0.049 0.000 0.220 80 A C 0.955 178.547 177.584 0.012 0.000 1.177 80 A CA 1.782 53.819 52.037 -0.001 0.000 0.636 80 A CB -0.430 18.525 19.000 -0.074 0.000 0.815 80 A HN 0.842 nan 8.150 nan 0.000 0.449 81 A N -1.846 120.986 122.820 0.020 0.000 2.520 81 A HA 0.707 5.057 4.320 0.049 0.000 0.298 81 A C -1.169 176.526 177.584 0.184 0.000 1.051 81 A CA -0.322 51.754 52.037 0.064 0.000 0.690 81 A CB 1.146 20.061 19.000 -0.141 0.000 1.281 81 A HN 0.636 nan 8.150 nan 0.000 0.402 82 L N 2.016 123.382 121.223 0.240 0.000 2.580 82 L HA 0.574 4.944 4.340 0.049 0.000 0.266 82 L C -0.453 176.521 176.870 0.173 0.000 0.955 82 L CA -0.032 54.871 54.840 0.105 0.000 0.886 82 L CB 1.540 43.578 42.059 -0.036 0.000 1.263 82 L HN 1.070 nan 8.230 nan 0.000 0.406 83 E N 3.522 123.772 120.200 0.085 0.000 2.421 83 E HA 0.395 4.775 4.350 0.049 0.000 0.265 83 E C -1.174 175.494 176.600 0.113 0.000 0.990 83 E CA -1.190 55.325 56.400 0.191 0.000 0.874 83 E CB 1.660 31.385 29.700 0.042 0.000 1.646 83 E HN 0.365 nan 8.360 nan 0.000 0.451 84 M N 1.597 121.290 119.600 0.156 0.000 2.238 84 M HA 0.246 4.756 4.480 0.049 0.000 0.350 84 M C -2.374 173.843 176.300 -0.139 0.000 1.321 84 M CA -1.602 53.740 55.300 0.071 0.000 1.097 84 M CB 0.563 33.162 32.600 -0.002 0.000 1.713 84 M HN 0.243 nan 8.290 nan 0.000 0.455 85 P HA 0.096 nan 4.420 nan 0.000 0.264 85 P C -2.283 174.872 177.300 -0.241 0.000 1.193 85 P CA -0.826 62.140 63.100 -0.224 0.000 0.763 85 P CB 0.127 31.698 31.700 -0.215 0.000 0.810 86 P HA -0.106 nan 4.420 nan 0.000 0.216 86 P C 0.140 177.268 177.300 -0.286 0.000 1.153 86 P CA 1.406 64.362 63.100 -0.241 0.000 0.858 86 P CB 0.037 31.615 31.700 -0.203 0.000 0.789 87 L N 0.148 121.200 121.223 -0.286 0.000 2.389 87 L HA 0.228 4.598 4.340 0.049 0.000 0.265 87 L C -0.171 176.256 176.870 -0.739 0.000 1.167 87 L CA -0.345 54.222 54.840 -0.455 0.000 1.045 87 L CB -0.171 41.828 42.059 -0.100 0.000 1.351 87 L HN -0.069 nan 8.230 nan 0.000 0.419 88 I N 2.258 122.227 120.570 -1.003 0.000 2.509 88 I HA 0.493 4.692 4.170 0.049 0.000 0.293 88 I C -0.402 175.047 176.117 -1.114 0.000 1.020 88 I CA -0.487 60.329 61.300 -0.806 0.000 1.088 88 I CB 1.829 39.580 38.000 -0.416 0.000 1.267 88 I HN 0.154 nan 8.210 nan 0.000 0.430 89 F N 3.267 123.100 119.950 -0.196 0.000 2.556 89 F HA 0.401 4.958 4.527 0.049 0.000 0.314 89 F C 0.521 176.194 175.800 -0.213 0.000 1.106 89 F CA -0.870 56.994 58.000 -0.228 0.000 0.911 89 F CB 1.558 40.373 39.000 -0.308 0.000 1.190 89 F HN 0.257 nan 8.300 nan 0.000 0.448 90 E N 2.089 122.275 120.200 -0.025 0.000 2.152 90 E HA 0.468 4.847 4.350 0.049 0.000 0.285 90 E C -0.269 176.238 176.600 -0.155 0.000 1.043 90 E CA -0.380 55.953 56.400 -0.113 0.000 0.839 90 E CB 1.687 31.338 29.700 -0.082 0.000 1.069 90 E HN 0.692 nan 8.360 nan 0.000 0.399 91 A N 5.995 128.614 122.820 -0.336 0.000 2.425 91 A HA 0.336 4.686 4.320 0.049 0.000 0.249 91 A C -1.867 175.604 177.584 -0.189 0.000 1.084 91 A CA -1.041 50.769 52.037 -0.378 0.000 0.781 91 A CB -0.213 18.229 19.000 -0.930 0.000 1.019 91 A HN 0.347 nan 8.150 nan 0.000 0.490 92 P HA 0.099 nan 4.420 nan 0.000 0.272 92 P C 0.174 177.443 177.300 -0.051 0.000 1.230 92 P CA -0.195 62.866 63.100 -0.065 0.000 0.788 92 P CB 0.638 32.314 31.700 -0.040 0.000 0.949 93 S N 0.772 116.417 115.700 -0.093 0.000 2.558 93 S HA -0.022 4.478 4.470 0.049 0.000 0.291 93 S C 1.468 176.014 174.600 -0.091 0.000 1.306 93 S CA -0.548 57.564 58.200 -0.147 0.000 1.056 93 S CB -0.408 62.548 63.200 -0.406 0.000 0.836 93 S HN 0.401 nan 8.310 nan 0.000 0.504 94 L N 4.156 125.388 121.223 0.015 0.000 2.465 94 L HA 0.176 4.546 4.340 0.049 0.000 0.224 94 L C 1.509 178.431 176.870 0.086 0.000 1.145 94 L CA 1.394 56.291 54.840 0.096 0.000 0.834 94 L CB -0.813 41.359 42.059 0.188 0.000 0.944 94 L HN 0.898 nan 8.230 nan 0.000 0.451 95 H N -1.232 117.867 119.070 0.050 0.000 2.512 95 H HA 0.473 5.060 4.556 0.051 0.000 0.276 95 H C -0.481 174.848 175.328 0.002 0.000 1.126 95 H CA -0.597 55.460 56.048 0.015 0.000 1.060 95 H CB 0.221 29.974 29.762 -0.015 0.000 1.646 95 H HN 0.371 nan 8.280 nan 0.000 0.571 96 R N 1.447 121.871 120.500 -0.126 0.000 2.483 96 R HA 0.290 4.660 4.340 0.049 0.000 0.303 96 R C -0.456 175.826 176.300 -0.029 0.000 0.987 96 R CA -0.689 55.370 56.100 -0.069 0.000 0.881 96 R CB 2.274 32.493 30.300 -0.135 0.000 1.177 96 R HN 0.106 nan 8.270 nan 0.000 0.451 97 R N 2.596 123.095 120.500 -0.001 0.000 4.138 97 R HA 0.049 4.419 4.340 0.049 0.000 0.206 97 R C -0.026 176.275 176.300 0.001 0.000 1.667 97 R CA 0.034 56.138 56.100 0.007 0.000 1.481 97 R CB -0.179 30.130 30.300 0.015 0.000 1.388 97 R HN 0.646 nan 8.270 nan 0.000 0.776 98 T N -2.384 112.166 114.554 -0.007 0.000 2.816 98 T HA 0.311 4.691 4.350 0.049 0.000 0.282 98 T C 1.523 176.222 174.700 -0.001 0.000 0.993 98 T CA -0.308 61.788 62.100 -0.007 0.000 0.994 98 T CB 1.671 70.529 68.868 -0.016 0.000 1.025 98 T HN 0.283 nan 8.240 nan 0.000 0.529 99 A N -0.131 122.688 122.820 -0.002 0.000 1.902 99 A HA -0.082 4.267 4.320 0.049 0.000 0.217 99 A C 2.309 179.892 177.584 -0.001 0.000 1.181 99 A CA 1.868 53.904 52.037 -0.001 0.000 0.623 99 A CB -1.149 17.850 19.000 -0.002 0.000 0.818 99 A HN 1.033 nan 8.150 nan 0.000 0.443 100 E N -0.559 119.638 120.200 -0.004 0.000 2.051 100 E HA -0.272 4.108 4.350 0.049 0.000 0.192 100 E C 2.277 178.877 176.600 0.001 0.000 0.991 100 E CA 1.442 57.839 56.400 -0.005 0.000 0.799 100 E CB -0.118 29.577 29.700 -0.008 0.000 0.748 100 E HN 0.431 nan 8.360 nan 0.000 0.449 101 R N 0.254 120.755 120.500 0.003 0.000 2.091 101 R HA -0.101 4.269 4.340 0.049 0.000 0.238 101 R C 2.223 178.539 176.300 0.026 0.000 1.136 101 R CA 2.316 58.425 56.100 0.015 0.000 0.959 101 R CB -0.896 29.409 30.300 0.009 0.000 0.856 101 R HN 0.146 nan 8.270 nan 0.000 0.437 102 T N 0.160 114.725 114.554 0.019 0.000 2.708 102 T HA -0.101 4.278 4.350 0.049 0.000 0.266 102 T C 1.763 176.475 174.700 0.021 0.000 1.037 102 T CA 1.528 63.642 62.100 0.023 0.000 1.146 102 T CB -0.520 68.358 68.868 0.017 0.000 0.865 102 T HN 0.448 nan 8.240 nan 0.000 0.435 103 A N 1.155 123.982 122.820 0.011 0.000 1.902 103 A HA 0.003 4.353 4.320 0.049 0.000 0.217 103 A C 2.308 179.898 177.584 0.009 0.000 1.181 103 A CA 1.241 53.281 52.037 0.005 0.000 0.623 103 A CB -0.817 18.180 19.000 -0.006 0.000 0.818 103 A HN 0.479 nan 8.150 nan 0.000 0.443 104 L N -0.907 120.326 121.223 0.015 0.000 2.056 104 L HA -0.164 4.206 4.340 0.049 0.000 0.207 104 L C 2.591 179.491 176.870 0.050 0.000 1.078 104 L CA 1.460 56.316 54.840 0.026 0.000 0.749 104 L CB -0.641 41.436 42.059 0.030 0.000 0.901 104 L HN 0.468 nan 8.230 nan 0.000 0.433 105 E N -0.011 120.224 120.200 0.059 0.000 2.110 105 E HA -0.188 4.191 4.350 0.049 0.000 0.193 105 E C 1.898 178.536 176.600 0.064 0.000 0.988 105 E CA 0.836 57.282 56.400 0.077 0.000 0.804 105 E CB -0.070 29.678 29.700 0.080 0.000 0.745 105 E HN 0.423 nan 8.360 nan 0.000 0.458 106 N N 0.850 119.576 118.700 0.043 0.000 2.058 106 N HA -0.136 4.634 4.740 0.049 0.000 0.191 106 N C 1.788 177.313 175.510 0.025 0.000 1.037 106 N CA 1.433 54.502 53.050 0.030 0.000 0.848 106 N CB -0.357 38.141 38.487 0.019 0.000 1.021 106 N HN 0.123 nan 8.380 nan 0.000 0.422 107 A N 0.414 123.245 122.820 0.019 0.000 1.877 107 A HA -0.032 4.318 4.320 0.049 0.000 0.216 107 A C 2.354 179.952 177.584 0.024 0.000 1.186 107 A CA 2.066 54.110 52.037 0.010 0.000 0.620 107 A CB -1.233 17.765 19.000 -0.003 0.000 0.822 107 A HN 0.392 nan 8.150 nan 0.000 0.443 108 G N -1.254 107.573 108.800 0.045 0.000 2.418 108 G HA2 -0.136 3.854 3.960 0.049 0.000 0.217 108 G HA3 -0.136 3.854 3.960 0.049 0.000 0.217 108 G C 1.563 176.509 174.900 0.077 0.000 1.158 108 G CA 1.619 46.761 45.100 0.070 0.000 0.771 108 G HN 0.432 nan 8.290 nan 0.000 0.545 109 T N 1.648 116.247 114.554 0.074 0.000 2.788 109 T HA 0.021 4.401 4.350 0.049 0.000 0.268 109 T C 2.790 177.504 174.700 0.024 0.000 1.044 109 T CA 1.428 63.565 62.100 0.062 0.000 1.139 109 T CB -0.307 68.596 68.868 0.058 0.000 0.867 109 T HN 0.371 nan 8.240 nan 0.000 0.454 110 A N 1.525 124.354 122.820 0.016 0.000 1.902 110 A HA -0.026 4.324 4.320 0.049 0.000 0.217 110 A C 2.290 179.870 177.584 -0.007 0.000 1.181 110 A CA 1.411 53.447 52.037 -0.002 0.000 0.623 110 A CB -0.672 18.325 19.000 -0.006 0.000 0.818 110 A HN 0.480 nan 8.150 nan 0.000 0.443 111 M N -0.484 119.119 119.600 0.004 0.000 2.358 111 M HA -0.051 4.459 4.480 0.049 0.000 0.264 111 M C 1.801 178.100 176.300 -0.002 0.000 1.064 111 M CA 0.927 56.226 55.300 -0.003 0.000 1.093 111 M CB -0.496 32.107 32.600 0.005 0.000 1.401 111 M HN 0.337 nan 8.290 nan 0.000 0.440 112 L N -0.757 120.480 121.223 0.023 0.000 2.187 112 L HA -0.236 4.134 4.340 0.049 0.000 0.213 112 L C 2.361 179.254 176.870 0.039 0.000 1.100 112 L CA 0.719 55.587 54.840 0.046 0.000 0.765 112 L CB -0.717 41.366 42.059 0.039 0.000 0.904 112 L HN 0.441 nan 8.230 nan 0.000 0.437 113 C N -0.293 119.009 119.300 0.003 0.000 2.432 113 C HA -0.110 4.380 4.460 0.049 0.000 0.282 113 C C 1.985 176.966 174.990 -0.016 0.000 1.388 113 C CA 0.701 59.716 59.018 -0.004 0.000 1.777 113 C CB -0.857 26.858 27.740 -0.042 0.000 1.882 113 C HN 0.375 nan 8.230 nan 0.000 0.520 114 K N -0.166 120.217 120.400 -0.028 0.000 2.646 114 K HA 0.124 4.473 4.320 0.049 0.000 0.206 114 K C -0.311 176.375 176.600 0.144 0.000 1.069 114 K CA 0.076 56.324 56.287 -0.066 0.000 1.067 114 K CB 0.711 33.129 32.500 -0.137 0.000 0.807 114 K HN 0.259 nan 8.250 nan 0.000 0.482 115 T N 1.027 115.608 114.554 0.044 0.000 2.794 115 T HA 0.278 4.658 4.350 0.049 0.000 0.280 115 T C -0.132 174.177 174.700 -0.651 0.000 0.987 115 T CA -0.493 61.410 62.100 -0.330 0.000 0.993 115 T CB 2.087 70.620 68.868 -0.558 0.000 0.939 115 T HN -0.191 nan 8.240 nan 0.000 0.449 116 V N 4.372 123.797 119.914 -0.815 0.000 2.546 116 V HA 0.447 4.597 4.120 0.049 0.000 0.284 116 V C -0.535 174.894 176.094 -1.108 0.000 1.050 116 V CA -0.477 61.179 62.300 -1.073 0.000 0.981 116 V CB 0.322 31.314 31.823 -1.385 0.000 0.990 116 V HN 0.729 nan 8.190 nan 0.000 0.474 117 F N 3.263 122.785 119.950 -0.714 0.000 2.480 117 F HA 0.709 5.266 4.527 0.050 0.000 0.329 117 F C -0.012 175.156 175.800 -1.053 0.000 1.091 117 F CA -0.787 56.729 58.000 -0.807 0.000 0.972 117 F CB 1.976 40.497 39.000 -0.799 0.000 1.150 117 F HN 0.138 nan 8.300 nan 0.000 0.467 118 V N 4.242 123.709 119.914 -0.745 0.000 2.525 118 V HA 0.401 4.551 4.120 0.049 0.000 0.299 118 V C -1.222 174.634 176.094 -0.395 0.000 1.034 118 V CA -0.686 61.215 62.300 -0.664 0.000 0.863 118 V CB 1.941 33.190 31.823 -0.958 0.000 0.999 118 V HN 0.536 nan 8.190 nan 0.000 0.423 119 L N 7.386 128.481 121.223 -0.213 0.000 2.298 119 L HA 0.716 5.085 4.340 0.049 0.000 0.284 119 L C -0.152 176.749 176.870 0.051 0.000 1.013 119 L CA -0.313 54.500 54.840 -0.044 0.000 0.824 119 L CB 1.792 43.931 42.059 0.133 0.000 1.221 119 L HN 0.591 nan 8.230 nan 0.000 0.418 120 V N 3.333 123.278 119.914 0.053 0.000 2.368 120 V HA 0.840 4.990 4.120 0.049 0.000 0.266 120 V C 0.528 176.675 176.094 0.089 0.000 1.045 120 V CA 0.280 62.635 62.300 0.091 0.000 0.899 120 V CB 0.452 32.336 31.823 0.101 0.000 1.006 120 V HN 1.011 nan 8.190 nan 0.000 0.470 121 A N 3.565 126.454 122.820 0.115 0.000 2.992 121 A HA 0.711 5.060 4.320 0.049 0.000 0.263 121 A C 1.176 178.831 177.584 0.118 0.000 0.928 121 A CA 0.238 52.345 52.037 0.116 0.000 1.061 121 A CB 0.234 19.318 19.000 0.139 0.000 1.173 121 A HN 1.151 nan 8.150 nan 0.000 0.482 122 G N -0.360 108.510 108.800 0.117 0.000 2.887 122 G HA2 0.394 4.383 3.960 0.049 0.000 0.211 122 G HA3 0.394 4.383 3.960 0.049 0.000 0.211 122 G C 0.782 175.741 174.900 0.099 0.000 1.152 122 G CA 0.613 45.780 45.100 0.112 0.000 0.769 122 G HN 0.806 nan 8.290 nan 0.000 0.541 123 G N -0.245 108.616 108.800 0.101 0.000 2.503 123 G HA2 0.415 4.405 3.960 0.049 0.000 0.257 123 G HA3 0.415 4.405 3.960 0.049 0.000 0.257 123 G C 0.641 175.587 174.900 0.077 0.000 1.214 123 G CA -0.604 44.552 45.100 0.093 0.000 0.839 123 G HN 0.128 nan 8.290 nan 0.000 0.559 124 L N 1.397 122.661 121.223 0.068 0.000 2.307 124 L HA 0.178 4.548 4.340 0.049 0.000 0.211 124 L C 1.879 178.787 176.870 0.063 0.000 1.099 124 L CA 0.739 55.614 54.840 0.059 0.000 0.816 124 L CB -0.222 41.864 42.059 0.046 0.000 0.952 124 L HN 0.891 nan 8.230 nan 0.000 0.455 125 G N 1.440 110.278 108.800 0.064 0.000 2.374 125 G HA2 -0.321 3.668 3.960 0.049 0.000 0.289 125 G HA3 -0.321 3.668 3.960 0.049 0.000 0.289 125 G C 0.632 175.568 174.900 0.060 0.000 1.004 125 G CA 0.732 45.868 45.100 0.060 0.000 1.292 125 G HN 0.419 nan 8.290 nan 0.000 0.502 126 E N 0.306 120.540 120.200 0.058 0.000 2.147 126 E HA -0.206 4.173 4.350 0.049 0.000 0.199 126 E C 2.551 179.183 176.600 0.052 0.000 1.005 126 E CA 2.083 58.514 56.400 0.051 0.000 0.810 126 E CB -0.089 29.641 29.700 0.050 0.000 0.736 126 E HN 0.769 nan 8.360 nan 0.000 0.460 127 R N -0.558 119.974 120.500 0.054 0.000 2.115 127 R HA -0.075 4.294 4.340 0.049 0.000 0.226 127 R C 2.216 178.547 176.300 0.052 0.000 1.100 127 R CA 0.898 57.029 56.100 0.052 0.000 0.980 127 R CB -0.370 29.961 30.300 0.051 0.000 0.875 127 R HN 0.206 nan 8.270 nan 0.000 0.445 128 L N 0.280 121.538 121.223 0.058 0.000 2.017 128 L HA -0.020 4.350 4.340 0.049 0.000 0.208 128 L C 1.210 178.124 176.870 0.073 0.000 1.073 128 L CA 2.312 57.189 54.840 0.061 0.000 0.745 128 L CB -0.796 41.307 42.059 0.073 0.000 0.894 128 L HN 0.539 nan 8.230 nan 0.000 0.432 129 G N -2.285 106.566 108.800 0.085 0.000 2.171 129 G HA2 -0.336 3.654 3.960 0.049 0.000 0.238 129 G HA3 -0.336 3.654 3.960 0.049 0.000 0.238 129 G C -0.024 174.958 174.900 0.136 0.000 1.039 129 G CA 0.153 45.300 45.100 0.079 0.000 0.759 129 G HN 0.398 nan 8.290 nan 0.000 0.501 130 Y N 0.881 121.176 120.300 -0.009 0.000 2.328 130 Y HA 0.491 5.071 4.550 0.051 0.000 0.336 130 Y C 1.265 177.160 175.900 -0.007 0.000 0.960 130 Y CA -0.212 57.880 58.100 -0.014 0.000 1.134 130 Y CB 1.682 40.131 38.460 -0.018 0.000 1.166 130 Y HN 0.396 nan 8.280 nan 0.000 0.464 131 S N 1.909 117.399 115.700 -0.350 0.000 2.603 131 S HA 0.089 4.589 4.470 0.049 0.000 0.220 131 S C 0.570 174.929 174.600 -0.403 0.000 0.967 131 S CA 0.152 58.183 58.200 -0.281 0.000 0.920 131 S CB 0.105 63.196 63.200 -0.181 0.000 0.773 131 S HN 0.435 nan 8.310 nan 0.000 0.529 132 S N 0.827 116.028 115.700 -0.832 0.000 2.786 132 S HA 0.707 5.207 4.470 0.049 0.000 0.307 132 S C 0.027 174.481 174.600 -0.244 0.000 1.121 132 S CA -1.148 56.719 58.200 -0.556 0.000 0.975 132 S CB 0.632 63.492 63.200 -0.567 0.000 1.220 132 S HN 0.521 nan 8.310 nan 0.000 0.550 133 I N 0.828 121.392 120.570 -0.009 0.000 2.638 133 I HA 0.394 4.594 4.170 0.049 0.000 0.286 133 I C 1.141 177.407 176.117 0.249 0.000 1.088 133 I CA -0.618 60.748 61.300 0.111 0.000 1.397 133 I CB 0.606 38.654 38.000 0.080 0.000 1.414 133 I HN 0.525 nan 8.210 nan 0.000 0.566 134 K N 3.587 124.094 120.400 0.178 0.000 2.063 134 K HA -0.122 4.228 4.320 0.049 0.000 0.208 134 K C 1.878 178.529 176.600 0.085 0.000 1.048 134 K CA 1.853 58.209 56.287 0.116 0.000 0.928 134 K CB -0.375 32.142 32.500 0.028 0.000 0.713 134 K HN 0.858 nan 8.250 nan 0.000 0.442 135 V N -0.336 119.649 119.914 0.119 0.000 3.305 135 V HA -0.069 4.081 4.120 0.049 0.000 0.269 135 V C 1.967 178.156 176.094 0.157 0.000 1.157 135 V CA 1.751 64.146 62.300 0.159 0.000 1.157 135 V CB -0.565 31.369 31.823 0.186 0.000 0.772 135 V HN 0.227 nan 8.190 nan 0.000 0.498 136 S N -0.203 115.594 115.700 0.162 0.000 2.558 136 S HA 0.266 4.766 4.470 0.049 0.000 0.217 136 S C 0.685 175.357 174.600 0.120 0.000 0.975 136 S CA -0.222 58.067 58.200 0.148 0.000 0.912 136 S CB -0.756 62.550 63.200 0.177 0.000 0.776 136 S HN 0.582 nan 8.310 nan 0.000 0.526 137 L N 3.103 124.371 121.223 0.076 0.000 2.485 137 L HA 0.295 4.664 4.340 0.049 0.000 0.275 137 L C -2.112 174.717 176.870 -0.067 0.000 1.207 137 L CA -1.846 52.930 54.840 -0.107 0.000 0.855 137 L CB 0.199 42.170 42.059 -0.147 0.000 1.114 137 L HN 0.119 nan 8.230 nan 0.000 0.485 138 P HA 0.050 nan 4.420 nan 0.000 0.279 138 P C 0.665 177.660 177.300 -0.509 0.000 1.239 138 P CA -0.370 62.546 63.100 -0.306 0.000 0.789 138 P CB 1.375 32.934 31.700 -0.236 0.000 0.933 139 V N 1.245 120.623 119.914 -0.893 0.000 2.515 139 V HA -0.158 3.992 4.120 0.049 0.000 0.250 139 V C 0.899 176.466 176.094 -0.878 0.000 1.058 139 V CA 1.970 63.523 62.300 -1.245 0.000 1.064 139 V CB -1.253 29.535 31.823 -1.725 0.000 0.675 139 V HN 0.730 nan 8.190 nan 0.000 0.461 140 E N -2.272 117.531 120.200 -0.662 0.000 2.407 140 E HA 0.319 4.699 4.350 0.049 0.000 0.279 140 E C 0.018 176.517 176.600 -0.169 0.000 1.012 140 E CA 0.016 56.166 56.400 -0.416 0.000 0.800 140 E CB 0.806 30.195 29.700 -0.517 0.000 1.276 140 E HN 0.031 nan 8.360 nan 0.000 0.452 141 T N -2.214 112.341 114.554 0.002 0.000 3.081 141 T HA 0.326 4.706 4.350 0.049 0.000 0.250 141 T C 1.511 176.268 174.700 0.095 0.000 1.100 141 T CA 0.391 62.503 62.100 0.021 0.000 1.038 141 T CB -0.024 68.853 68.868 0.015 0.000 0.962 141 T HN 0.553 nan 8.240 nan 0.000 0.516 142 A N 2.634 125.609 122.820 0.258 0.000 1.883 142 A HA -0.075 4.275 4.320 0.049 0.000 0.217 142 A C 2.618 180.370 177.584 0.279 0.000 1.186 142 A CA 2.329 54.600 52.037 0.390 0.000 0.624 142 A CB -1.214 18.068 19.000 0.470 0.000 0.822 142 A HN 0.702 nan 8.150 nan 0.000 0.444 143 T N -5.557 109.092 114.554 0.158 0.000 2.985 143 T HA 0.179 4.559 4.350 0.049 0.000 0.254 143 T C 0.558 175.263 174.700 0.008 0.000 1.021 143 T CA 0.752 62.906 62.100 0.091 0.000 0.957 143 T CB -0.459 68.452 68.868 0.073 0.000 1.047 143 T HN 0.595 nan 8.240 nan 0.000 0.511 144 N N 0.858 119.533 118.700 -0.041 0.000 2.753 144 N HA -0.139 4.631 4.740 0.049 0.000 0.251 144 N C -0.893 174.544 175.510 -0.123 0.000 1.097 144 N CA 0.748 53.744 53.050 -0.089 0.000 0.786 144 N CB -1.897 36.557 38.487 -0.055 0.000 1.137 144 N HN 0.439 nan 8.380 nan 0.000 0.566 145 T N 1.310 115.775 114.554 -0.149 0.000 2.831 145 T HA 0.146 4.525 4.350 0.049 0.000 0.291 145 T C 1.105 175.644 174.700 -0.269 0.000 0.981 145 T CA 0.467 62.467 62.100 -0.166 0.000 1.174 145 T CB 0.397 69.180 68.868 -0.143 0.000 0.929 145 T HN 0.278 nan 8.240 nan 0.000 0.532 146 T N 1.847 116.291 114.554 -0.185 0.000 2.860 146 T HA 0.147 4.526 4.350 0.049 0.000 0.299 146 T C 1.035 175.576 174.700 -0.264 0.000 1.045 146 T CA -0.559 61.433 62.100 -0.181 0.000 1.071 146 T CB 0.374 69.209 68.868 -0.054 0.000 0.985 146 T HN 0.493 nan 8.240 nan 0.000 0.537 147 Y N 0.613 120.759 120.300 -0.255 0.000 2.165 147 Y HA -0.079 4.500 4.550 0.048 0.000 0.286 147 Y C 2.335 178.050 175.900 -0.308 0.000 1.155 147 Y CA 1.518 59.379 58.100 -0.399 0.000 1.164 147 Y CB -0.582 37.696 38.460 -0.303 0.000 0.978 147 Y HN 0.549 nan 8.280 nan 0.000 0.513 148 L N 0.092 121.358 121.223 0.072 0.000 1.989 148 L HA -0.236 4.134 4.340 0.049 0.000 0.211 148 L C 2.426 179.313 176.870 0.027 0.000 1.071 148 L CA 2.207 57.115 54.840 0.114 0.000 0.749 148 L CB -1.249 40.861 42.059 0.085 0.000 0.890 148 L HN 0.162 nan 8.230 nan 0.000 0.431 149 A N -1.702 121.103 122.820 -0.025 0.000 1.902 149 A HA -0.298 4.052 4.320 0.049 0.000 0.217 149 A C 2.312 179.877 177.584 -0.031 0.000 1.181 149 A CA 1.847 53.859 52.037 -0.042 0.000 0.623 149 A CB -1.262 17.712 19.000 -0.044 0.000 0.818 149 A HN 0.655 nan 8.150 nan 0.000 0.443 150 Y N -0.532 119.637 120.300 -0.218 0.000 2.081 150 Y HA -0.317 4.265 4.550 0.052 0.000 0.280 150 Y C 2.225 178.079 175.900 -0.076 0.000 1.163 150 Y CA 2.232 60.188 58.100 -0.239 0.000 1.135 150 Y CB -0.568 37.592 38.460 -0.500 0.000 0.970 150 Y HN 0.390 nan 8.280 nan 0.000 0.498 151 Y N -0.199 120.157 120.300 0.093 0.000 2.145 151 Y HA -0.227 4.353 4.550 0.050 0.000 0.286 151 Y C 2.458 178.349 175.900 -0.015 0.000 1.145 151 Y CA 1.490 59.635 58.100 0.076 0.000 1.148 151 Y CB -1.086 37.516 38.460 0.237 0.000 0.981 151 Y HN 0.148 nan 8.280 nan 0.000 0.507 152 L N -0.684 120.525 121.223 -0.022 0.000 2.056 152 L HA -0.169 4.201 4.340 0.049 0.000 0.207 152 L C 2.560 179.330 176.870 -0.168 0.000 1.078 152 L CA 1.234 55.899 54.840 -0.292 0.000 0.749 152 L CB -0.452 41.394 42.059 -0.355 0.000 0.901 152 L HN 0.090 nan 8.230 nan 0.000 0.433 153 R N -1.044 119.398 120.500 -0.097 0.000 2.092 153 R HA -0.206 4.164 4.340 0.049 0.000 0.231 153 R C 2.084 178.345 176.300 -0.064 0.000 1.119 153 R CA 1.702 57.755 56.100 -0.079 0.000 0.970 153 R CB -0.488 29.780 30.300 -0.053 0.000 0.864 153 R HN 0.417 nan 8.270 nan 0.000 0.440 154 W N 1.518 122.673 121.300 -0.242 0.000 2.358 154 W HA -0.149 4.542 4.660 0.051 0.000 0.303 154 W C 2.225 178.607 176.519 -0.229 0.000 1.208 154 W CA 1.823 59.018 57.345 -0.249 0.000 1.274 154 W CB -0.256 28.995 29.460 -0.350 0.000 1.138 154 W HN 0.071 nan 8.180 nan 0.000 0.515 155 A N -0.096 122.569 122.820 -0.257 0.000 1.930 155 A HA -0.235 4.114 4.320 0.049 0.000 0.217 155 A C 1.892 179.279 177.584 -0.329 0.000 1.175 155 A CA 1.796 53.502 52.037 -0.551 0.000 0.627 155 A CB -0.823 17.946 19.000 -0.385 0.000 0.815 155 A HN 0.528 nan 8.150 nan 0.000 0.443 156 Q N -1.323 118.352 119.800 -0.208 0.000 2.224 156 Q HA -0.154 4.216 4.340 0.049 0.000 0.203 156 Q C 2.278 178.182 176.000 -0.161 0.000 0.970 156 Q CA 1.267 56.987 55.803 -0.137 0.000 0.865 156 Q CB -0.074 28.600 28.738 -0.107 0.000 0.922 156 Q HN 0.521 nan 8.270 nan 0.000 0.445 157 R N 0.602 120.960 120.500 -0.237 0.000 2.062 157 R HA -0.105 4.264 4.340 0.049 0.000 0.229 157 R C 2.063 178.199 176.300 -0.272 0.000 1.128 157 R CA 1.645 57.608 56.100 -0.229 0.000 0.960 157 R CB -0.543 29.616 30.300 -0.235 0.000 0.855 157 R HN 0.256 nan 8.270 nan 0.000 0.432 158 V N -2.815 116.822 119.914 -0.462 0.000 2.951 158 V HA 0.304 4.454 4.120 0.049 0.000 0.255 158 V C 1.494 177.475 176.094 -0.188 0.000 1.088 158 V CA 1.558 63.622 62.300 -0.393 0.000 1.109 158 V CB 0.080 31.490 31.823 -0.688 0.000 0.724 158 V HN 0.306 nan 8.190 nan 0.000 0.471 159 G N -0.905 107.815 108.800 -0.134 0.000 3.228 159 G HA2 0.533 4.523 3.960 0.049 0.000 0.245 159 G HA3 0.533 4.523 3.960 0.049 0.000 0.245 159 G C 0.778 175.693 174.900 0.025 0.000 1.051 159 G CA 0.383 45.496 45.100 0.020 0.000 0.809 159 G HN 1.452 nan 8.290 nan 0.000 0.531 160 G N 0.351 109.133 108.800 -0.031 0.000 2.758 160 G HA2 -0.226 3.763 3.960 0.049 0.000 0.686 160 G HA3 -0.226 3.763 3.960 0.049 0.000 0.686 160 G C 0.559 175.455 174.900 -0.007 0.000 1.389 160 G CA 0.200 45.291 45.100 -0.015 0.000 0.845 160 G HN 0.404 nan 8.290 nan 0.000 0.572 161 K N 0.038 120.432 120.400 -0.011 0.000 2.113 161 K HA -0.156 4.194 4.320 0.049 0.000 0.208 161 K C 1.701 178.308 176.600 0.011 0.000 1.047 161 K CA 2.270 58.550 56.287 -0.012 0.000 0.928 161 K CB -0.078 32.415 32.500 -0.011 0.000 0.716 161 K HN 0.463 nan 8.250 nan 0.000 0.446 162 E N 0.589 120.812 120.200 0.039 0.000 2.359 162 E HA 0.030 4.410 4.350 0.049 0.000 0.187 162 E C -0.664 175.995 176.600 0.099 0.000 1.081 162 E CA -0.131 56.310 56.400 0.067 0.000 0.929 162 E CB 0.655 30.405 29.700 0.083 0.000 1.086 162 E HN 0.073 nan 8.360 nan 0.000 0.462 163 V N 2.292 122.261 119.914 0.091 0.000 2.617 163 V HA 0.041 4.190 4.120 0.049 0.000 0.304 163 V C -2.314 173.832 176.094 0.088 0.000 1.040 163 V CA -1.636 60.734 62.300 0.118 0.000 1.149 163 V CB 0.788 32.701 31.823 0.150 0.000 0.914 163 V HN 0.106 nan 8.190 nan 0.000 0.487 164 P HA 0.288 nan 4.420 nan 0.000 0.276 164 P C -1.250 176.038 177.300 -0.019 0.000 1.243 164 P CA 0.223 63.243 63.100 -0.134 0.000 0.768 164 P CB 0.238 31.491 31.700 -0.745 0.000 0.856 165 F N 3.709 123.668 119.950 0.015 0.000 2.573 165 F HA 0.410 4.966 4.527 0.049 0.000 0.316 165 F C -1.213 174.657 175.800 0.117 0.000 1.148 165 F CA -0.799 57.225 58.000 0.040 0.000 0.940 165 F CB 1.602 40.624 39.000 0.037 0.000 1.214 165 F HN -0.038 nan 8.300 nan 0.000 0.448 166 V N 6.861 126.805 119.914 0.050 0.000 2.459 166 V HA 0.504 4.654 4.120 0.049 0.000 0.295 166 V C -0.219 175.994 176.094 0.198 0.000 1.029 166 V CA -0.660 61.752 62.300 0.187 0.000 0.874 166 V CB 1.792 33.675 31.823 0.100 0.000 0.985 166 V HN 0.541 nan 8.190 nan 0.000 0.438 167 I N 5.087 125.827 120.570 0.284 0.000 2.389 167 I HA 0.458 4.657 4.170 0.049 0.000 0.288 167 I C -0.151 176.083 176.117 0.194 0.000 0.999 167 I CA -0.359 61.090 61.300 0.248 0.000 1.129 167 I CB 1.767 39.928 38.000 0.269 0.000 1.288 167 I HN 0.571 nan 8.210 nan 0.000 0.444 168 M N 7.247 126.943 119.600 0.161 0.000 2.108 168 M HA 0.337 4.847 4.480 0.049 0.000 0.354 168 M C 0.033 176.426 176.300 0.156 0.000 1.229 168 M CA -0.023 55.367 55.300 0.151 0.000 1.081 168 M CB 0.793 33.473 32.600 0.133 0.000 1.606 168 M HN 0.778 nan 8.290 nan 0.000 0.467 169 T N 1.427 116.084 114.554 0.172 0.000 2.870 169 T HA 0.874 5.254 4.350 0.049 0.000 0.277 169 T C -0.152 174.628 174.700 0.133 0.000 1.000 169 T CA -0.484 61.725 62.100 0.182 0.000 0.982 169 T CB 1.575 70.625 68.868 0.304 0.000 1.249 169 T HN 0.755 nan 8.240 nan 0.000 0.589 170 S N -1.216 114.560 115.700 0.127 0.000 2.685 170 S HA 0.418 4.918 4.470 0.049 0.000 0.282 170 S C 0.076 174.725 174.600 0.082 0.000 1.159 170 S CA -0.780 57.467 58.200 0.079 0.000 0.833 170 S CB 1.290 64.533 63.200 0.072 0.000 1.151 170 S HN 0.602 nan 8.310 nan 0.000 0.485 171 D N 0.953 121.378 120.400 0.041 0.000 2.228 171 D HA -0.107 4.563 4.640 0.049 0.000 0.203 171 D C 0.886 177.223 176.300 0.061 0.000 0.988 171 D CA 1.343 55.369 54.000 0.042 0.000 0.864 171 D CB -0.252 40.556 40.800 0.013 0.000 0.928 171 D HN 0.554 nan 8.370 nan 0.000 0.469 172 D N -0.474 119.960 120.400 0.057 0.000 2.149 172 D HA -0.078 4.592 4.640 0.049 0.000 0.201 172 D C 2.078 178.415 176.300 0.063 0.000 0.972 172 D CA 1.482 55.513 54.000 0.051 0.000 0.835 172 D CB 0.028 40.855 40.800 0.044 0.000 0.966 172 D HN 0.364 nan 8.370 nan 0.000 0.476 173 T N -3.358 111.251 114.554 0.091 0.000 3.003 173 T HA 0.001 4.380 4.350 0.049 0.000 0.261 173 T C 1.590 176.355 174.700 0.107 0.000 1.003 173 T CA -0.197 61.957 62.100 0.090 0.000 0.917 173 T CB 0.140 69.064 68.868 0.094 0.000 1.084 173 T HN 0.152 nan 8.240 nan 0.000 0.522 174 H N 1.780 120.874 119.070 0.039 0.000 2.270 174 H HA -0.088 4.498 4.556 0.049 0.000 0.299 174 H C 1.400 176.749 175.328 0.035 0.000 1.077 174 H CA 1.992 58.065 56.048 0.042 0.000 1.294 174 H CB -0.099 29.687 29.762 0.039 0.000 1.371 174 H HN 0.261 nan 8.280 nan 0.000 0.491 175 D N 0.262 120.654 120.400 -0.013 0.000 2.144 175 D HA -0.109 4.560 4.640 0.049 0.000 0.199 175 D C 2.506 178.759 176.300 -0.078 0.000 0.984 175 D CA 0.834 54.788 54.000 -0.075 0.000 0.834 175 D CB -0.117 40.694 40.800 0.019 0.000 0.955 175 D HN 0.314 nan 8.370 nan 0.000 0.465 176 R N -0.105 120.375 120.500 -0.035 0.000 2.115 176 R HA -0.011 4.358 4.340 0.049 0.000 0.230 176 R C 2.329 178.611 176.300 -0.030 0.000 1.111 176 R CA 1.067 57.152 56.100 -0.025 0.000 0.976 176 R CB -0.266 30.029 30.300 -0.008 0.000 0.870 176 R HN 0.079 nan 8.270 nan 0.000 0.445 177 T N 1.079 115.608 114.554 -0.041 0.000 2.708 177 T HA -0.074 4.305 4.350 0.049 0.000 0.266 177 T C 1.727 176.384 174.700 -0.072 0.000 1.037 177 T CA 1.058 63.138 62.100 -0.033 0.000 1.146 177 T CB -0.128 68.733 68.868 -0.012 0.000 0.865 177 T HN 0.116 nan 8.240 nan 0.000 0.435 178 L N 0.921 122.053 121.223 -0.152 0.000 2.046 178 L HA -0.140 4.230 4.340 0.049 0.000 0.208 178 L C 2.939 179.763 176.870 -0.076 0.000 1.077 178 L CA 1.427 56.186 54.840 -0.135 0.000 0.747 178 L CB -0.689 41.247 42.059 -0.204 0.000 0.896 178 L HN 0.352 nan 8.230 nan 0.000 0.432 179 Q N 0.397 120.158 119.800 -0.065 0.000 2.084 179 Q HA -0.262 4.108 4.340 0.049 0.000 0.202 179 Q C 2.319 178.303 176.000 -0.028 0.000 0.978 179 Q CA 1.672 57.452 55.803 -0.039 0.000 0.844 179 Q CB -0.076 28.643 28.738 -0.031 0.000 0.898 179 Q HN 0.370 nan 8.270 nan 0.000 0.426 180 L N 0.633 121.842 121.223 -0.022 0.000 2.046 180 L HA -0.143 4.227 4.340 0.049 0.000 0.208 180 L C 2.122 178.981 176.870 -0.019 0.000 1.077 180 L CA 1.495 56.328 54.840 -0.012 0.000 0.747 180 L CB -0.535 41.527 42.059 0.005 0.000 0.896 180 L HN 0.311 nan 8.230 nan 0.000 0.432 181 L N -0.631 120.576 121.223 -0.027 0.000 2.013 181 L HA -0.275 4.095 4.340 0.049 0.000 0.212 181 L C 2.824 179.674 176.870 -0.033 0.000 1.073 181 L CA 1.920 56.739 54.840 -0.035 0.000 0.753 181 L CB -0.617 41.417 42.059 -0.041 0.000 0.890 181 L HN 0.315 nan 8.230 nan 0.000 0.432 182 R N 0.293 120.774 120.500 -0.031 0.000 2.081 182 R HA -0.188 4.182 4.340 0.049 0.000 0.235 182 R C 2.126 178.414 176.300 -0.021 0.000 1.131 182 R CA 1.735 57.820 56.100 -0.026 0.000 0.960 182 R CB -0.096 30.189 30.300 -0.024 0.000 0.856 182 R HN 0.425 nan 8.270 nan 0.000 0.436 183 E N 0.254 120.443 120.200 -0.019 0.000 2.106 183 E HA -0.127 4.253 4.350 0.049 0.000 0.192 183 E C 1.842 178.433 176.600 -0.016 0.000 0.984 183 E CA 0.963 57.353 56.400 -0.015 0.000 0.806 183 E CB 0.044 29.737 29.700 -0.012 0.000 0.750 183 E HN 0.378 nan 8.360 nan 0.000 0.458 184 L N 0.192 121.403 121.223 -0.020 0.000 2.552 184 L HA -0.020 4.349 4.340 0.049 0.000 0.227 184 L C 0.394 177.249 176.870 -0.025 0.000 1.146 184 L CA 0.278 55.104 54.840 -0.022 0.000 0.858 184 L CB -0.192 41.851 42.059 -0.027 0.000 0.969 184 L HN 0.150 nan 8.230 nan 0.000 0.451 185 Q N 0.077 119.862 119.800 -0.025 0.000 2.475 185 Q HA -0.190 4.180 4.340 0.049 0.000 0.280 185 Q C -0.344 175.637 176.000 -0.032 0.000 1.234 185 Q CA 0.370 56.158 55.803 -0.025 0.000 0.873 185 Q CB -1.562 27.165 28.738 -0.019 0.000 1.256 185 Q HN 0.427 nan 8.270 nan 0.000 0.475 186 L N 1.444 122.642 121.223 -0.041 0.000 2.433 186 L HA 0.085 4.454 4.340 0.049 0.000 0.275 186 L C 0.588 177.424 176.870 -0.055 0.000 1.128 186 L CA 0.247 55.053 54.840 -0.056 0.000 0.875 186 L CB 0.462 42.477 42.059 -0.073 0.000 1.171 186 L HN 0.039 nan 8.230 nan 0.000 0.463 187 E N 4.527 124.696 120.200 -0.052 0.000 2.028 187 E HA 0.261 4.641 4.350 0.049 0.000 0.266 187 E C -0.914 175.653 176.600 -0.055 0.000 0.962 187 E CA -0.265 56.108 56.400 -0.046 0.000 0.784 187 E CB 1.641 31.322 29.700 -0.033 0.000 1.114 187 E HN 0.194 nan 8.360 nan 0.000 0.414 188 V N 5.025 124.901 119.914 -0.063 0.000 2.289 188 V HA 0.157 4.307 4.120 0.049 0.000 0.272 188 V C -1.688 174.375 176.094 -0.052 0.000 1.026 188 V CA -1.450 60.809 62.300 -0.069 0.000 0.807 188 V CB 1.310 33.066 31.823 -0.112 0.000 1.044 188 V HN 0.321 nan 8.190 nan 0.000 0.443 189 P HA -0.086 nan 4.420 nan 0.000 0.216 189 P C 0.811 178.086 177.300 -0.042 0.000 1.150 189 P CA 1.263 64.348 63.100 -0.025 0.000 0.843 189 P CB 0.194 31.895 31.700 0.002 0.000 0.787 190 N N -0.606 118.083 118.700 -0.018 0.000 2.380 190 N HA 0.108 4.878 4.740 0.049 0.000 0.255 190 N C -0.113 175.352 175.510 -0.075 0.000 1.158 190 N CA -0.284 52.755 53.050 -0.018 0.000 0.878 190 N CB 0.013 38.571 38.487 0.118 0.000 1.138 190 N HN 0.114 nan 8.380 nan 0.000 0.509 191 L N 1.892 123.035 121.223 -0.133 0.000 2.380 191 L HA 0.172 4.542 4.340 0.049 0.000 0.273 191 L C -0.306 176.391 176.870 -0.288 0.000 1.138 191 L CA 0.015 54.819 54.840 -0.060 0.000 0.832 191 L CB 0.268 42.307 42.059 -0.033 0.000 1.124 191 L HN 0.181 nan 8.230 nan 0.000 0.454 192 H N 4.861 124.047 119.070 0.193 0.000 2.727 192 H HA 0.380 4.966 4.556 0.049 0.000 0.330 192 H C -1.016 174.412 175.328 0.165 0.000 0.986 192 H CA -0.708 55.435 56.048 0.159 0.000 1.251 192 H CB 1.697 31.554 29.762 0.159 0.000 1.493 192 H HN 0.368 nan 8.280 nan 0.000 0.515 193 V N 5.974 126.027 119.914 0.232 0.000 2.383 193 V HA 0.223 4.373 4.120 0.049 0.000 0.275 193 V C 0.267 176.491 176.094 0.216 0.000 1.036 193 V CA -0.423 62.010 62.300 0.220 0.000 0.889 193 V CB 0.993 32.933 31.823 0.195 0.000 0.985 193 V HN 0.487 nan 8.190 nan 0.000 0.459 194 L N 5.407 126.744 121.223 0.190 0.000 2.349 194 L HA 0.570 4.940 4.340 0.049 0.000 0.278 194 L C -0.110 176.821 176.870 0.101 0.000 0.996 194 L CA -0.530 54.388 54.840 0.130 0.000 0.825 194 L CB 1.798 43.928 42.059 0.119 0.000 1.243 194 L HN 0.519 nan 8.230 nan 0.000 0.412 195 K N 4.520 124.933 120.400 0.022 0.000 2.253 195 K HA 0.277 4.627 4.320 0.049 0.000 0.277 195 K C -0.232 176.360 176.600 -0.014 0.000 1.053 195 K CA -0.574 55.691 56.287 -0.037 0.000 0.892 195 K CB 1.048 33.380 32.500 -0.279 0.000 1.102 195 K HN 0.634 nan 8.250 nan 0.000 0.469 196 Q N 2.432 122.248 119.800 0.027 0.000 2.373 196 Q HA 0.258 4.628 4.340 0.049 0.000 0.255 196 Q C 0.117 176.122 176.000 0.008 0.000 0.980 196 Q CA -0.676 55.149 55.803 0.036 0.000 0.882 196 Q CB 0.920 29.702 28.738 0.073 0.000 1.249 196 Q HN 0.607 nan 8.270 nan 0.000 0.438 197 G N 1.623 110.424 108.800 0.001 0.000 2.477 197 G HA2 0.269 4.259 3.960 0.049 0.000 0.304 197 G HA3 0.269 4.259 3.960 0.049 0.000 0.304 197 G C -0.793 174.097 174.900 -0.018 0.000 1.175 197 G CA -0.696 44.391 45.100 -0.022 0.000 0.907 197 G HN 0.677 nan 8.290 nan 0.000 0.509 198 Q N -1.043 118.724 119.800 -0.055 0.000 2.230 198 Q HA 0.468 4.838 4.340 0.049 0.000 0.248 198 Q C 0.151 176.033 176.000 -0.197 0.000 0.915 198 Q CA -0.706 55.041 55.803 -0.093 0.000 0.900 198 Q CB 2.189 30.864 28.738 -0.105 0.000 1.229 198 Q HN 0.515 nan 8.270 nan 0.000 0.439 199 V N -1.370 118.402 119.914 -0.236 0.000 2.975 199 V HA 0.549 4.699 4.120 0.049 0.000 0.318 199 V C -0.344 175.336 176.094 -0.690 0.000 1.077 199 V CA -0.955 61.040 62.300 -0.509 0.000 1.000 199 V CB 0.669 32.317 31.823 -0.291 0.000 1.066 199 V HN 0.520 nan 8.190 nan 0.000 0.452 200 F N 0.416 119.813 119.950 -0.922 0.000 2.435 200 F HA 0.559 5.115 4.527 0.049 0.000 0.316 200 F C 0.846 176.328 175.800 -0.530 0.000 1.220 200 F CA -0.303 57.261 58.000 -0.727 0.000 1.241 200 F CB 0.197 38.669 39.000 -0.880 0.000 1.234 200 F HN 0.626 nan 8.300 nan 0.000 0.569 201 C N 1.147 120.334 119.300 -0.188 0.000 2.529 201 C HA 0.614 5.104 4.460 0.049 0.000 0.329 201 C C -0.737 174.120 174.990 -0.223 0.000 1.194 201 C CA -1.024 57.850 59.018 -0.240 0.000 1.779 201 C CB 0.960 28.652 27.740 -0.079 0.000 2.322 201 C HN 0.409 nan 8.230 nan 0.000 0.500 202 F N 0.968 121.010 119.950 0.153 0.000 2.404 202 F HA 0.494 5.051 4.527 0.049 0.000 0.354 202 F C 1.039 176.993 175.800 0.257 0.000 1.122 202 F CA -0.814 57.295 58.000 0.182 0.000 1.080 202 F CB 0.981 40.104 39.000 0.205 0.000 1.131 202 F HN 0.768 nan 8.300 nan 0.000 0.471 203 A N 1.615 124.632 122.820 0.329 0.000 2.119 203 A HA 0.111 4.461 4.320 0.049 0.000 0.216 203 A C 0.177 177.766 177.584 0.008 0.000 1.152 203 A CA 1.181 53.336 52.037 0.198 0.000 0.708 203 A CB -0.691 18.352 19.000 0.071 0.000 0.805 203 A HN 0.768 nan 8.150 nan 0.000 0.460 204 D N -3.895 116.422 120.400 -0.138 0.000 2.677 204 D HA 0.249 4.918 4.640 0.049 0.000 0.298 204 D C 0.493 176.403 176.300 -0.649 0.000 1.250 204 D CA 0.205 53.762 54.000 -0.738 0.000 0.888 204 D CB 0.087 40.691 40.800 -0.328 0.000 1.397 204 D HN -0.057 nan 8.370 nan 0.000 0.461 205 S N -1.397 113.917 115.700 -0.643 0.000 2.547 205 S HA 0.107 4.607 4.470 0.049 0.000 0.235 205 S C 1.568 176.092 174.600 -0.128 0.000 0.980 205 S CA 0.513 58.603 58.200 -0.184 0.000 0.941 205 S CB -0.467 62.698 63.200 -0.059 0.000 0.763 205 S HN 0.710 nan 8.310 nan 0.000 0.532 206 A N 0.551 123.256 122.820 -0.192 0.000 2.308 206 A HA 0.757 5.107 4.320 0.049 0.000 0.217 206 A C 1.327 178.689 177.584 -0.370 0.000 1.216 206 A CA 0.334 52.241 52.037 -0.216 0.000 0.864 206 A CB -0.740 18.109 19.000 -0.252 0.000 0.902 206 A HN 1.532 nan 8.150 nan 0.000 0.499 207 A N -0.059 122.501 122.820 -0.433 0.000 2.930 207 A HA -0.152 4.198 4.320 0.049 0.000 0.273 207 A C 0.011 177.478 177.584 -0.196 0.000 1.435 207 A CA 0.605 52.246 52.037 -0.659 0.000 0.780 207 A CB -2.890 15.346 19.000 -1.273 0.000 1.034 207 A HN 0.646 nan 8.150 nan 0.000 0.562 208 H N -0.432 118.683 119.070 0.076 0.000 2.683 208 H HA 0.394 4.980 4.556 0.049 0.000 0.339 208 H C 0.854 176.339 175.328 0.261 0.000 1.081 208 H CA 0.173 56.318 56.048 0.161 0.000 1.432 208 H CB 0.596 30.297 29.762 -0.102 0.000 1.462 208 H HN 0.520 nan 8.280 nan 0.000 0.557 209 L N 2.290 123.746 121.223 0.389 0.000 2.455 209 L HA 0.158 4.527 4.340 0.049 0.000 0.272 209 L C 0.985 177.959 176.870 0.174 0.000 1.174 209 L CA -0.402 54.547 54.840 0.182 0.000 0.869 209 L CB 0.389 42.393 42.059 -0.093 0.000 1.130 209 L HN 0.588 nan 8.230 nan 0.000 0.474 210 A N 5.453 128.327 122.820 0.090 0.000 2.340 210 A HA 0.696 5.045 4.320 0.049 0.000 0.268 210 A C -0.332 177.264 177.584 0.020 0.000 1.100 210 A CA -0.435 51.642 52.037 0.066 0.000 0.803 210 A CB 0.512 19.553 19.000 0.069 0.000 1.043 210 A HN 0.662 nan 8.150 nan 0.000 0.488 211 L N 1.136 122.372 121.223 0.022 0.000 2.313 211 L HA 0.444 4.814 4.340 0.049 0.000 0.268 211 L C 0.054 176.932 176.870 0.013 0.000 1.010 211 L CA -1.081 53.762 54.840 0.005 0.000 0.814 211 L CB 1.754 43.815 42.059 0.003 0.000 1.304 211 L HN 0.937 nan 8.230 nan 0.000 0.441 212 D N -0.788 119.619 120.400 0.012 0.000 2.496 212 D HA 0.102 4.771 4.640 0.049 0.000 0.283 212 D C 0.628 176.937 176.300 0.015 0.000 1.214 212 D CA -0.351 53.657 54.000 0.014 0.000 1.089 212 D CB 0.427 41.235 40.800 0.013 0.000 1.141 212 D HN 0.316 nan 8.370 nan 0.000 0.580 213 E N -0.724 119.484 120.200 0.014 0.000 2.072 213 E HA -0.100 4.280 4.350 0.049 0.000 0.191 213 E C 2.061 178.670 176.600 0.015 0.000 0.985 213 E CA 2.008 58.416 56.400 0.014 0.000 0.801 213 E CB -1.091 28.616 29.700 0.012 0.000 0.750 213 E HN 0.749 nan 8.360 nan 0.000 0.452 214 T N -2.423 112.140 114.554 0.015 0.000 3.085 214 T HA 0.208 4.587 4.350 0.049 0.000 0.263 214 T C 1.417 176.130 174.700 0.022 0.000 1.127 214 T CA 0.769 62.879 62.100 0.016 0.000 1.103 214 T CB 0.038 68.914 68.868 0.014 0.000 0.921 214 T HN 0.287 nan 8.240 nan 0.000 0.510 215 G N 1.364 110.178 108.800 0.024 0.000 2.130 215 G HA2 -0.158 3.831 3.960 0.049 0.000 0.216 215 G HA3 -0.158 3.831 3.960 0.049 0.000 0.216 215 G C -0.200 174.719 174.900 0.032 0.000 0.999 215 G CA -0.340 44.779 45.100 0.032 0.000 0.686 215 G HN 0.575 nan 8.290 nan 0.000 0.515 216 K N 0.115 120.529 120.400 0.023 0.000 2.118 216 K HA 0.626 4.975 4.320 0.049 0.000 0.254 216 K C 0.790 177.395 176.600 0.008 0.000 0.961 216 K CA -1.154 55.147 56.287 0.023 0.000 0.876 216 K CB 1.360 33.877 32.500 0.028 0.000 1.077 216 K HN 0.196 nan 8.250 nan 0.000 0.440 217 L N 2.300 123.524 121.223 0.001 0.000 2.534 217 L HA -0.015 4.354 4.340 0.049 0.000 0.271 217 L C 0.432 177.330 176.870 0.045 0.000 1.178 217 L CA -0.473 54.360 54.840 -0.012 0.000 0.907 217 L CB -0.181 41.846 42.059 -0.053 0.000 1.164 217 L HN 0.328 nan 8.230 nan 0.000 0.482 218 L N 6.046 127.283 121.223 0.024 0.000 2.410 218 L HA 0.291 4.661 4.340 0.049 0.000 0.273 218 L C -0.026 176.848 176.870 0.007 0.000 1.152 218 L CA 0.539 55.388 54.840 0.015 0.000 0.855 218 L CB 0.261 42.324 42.059 0.006 0.000 1.129 218 L HN 0.505 nan 8.230 nan 0.000 0.463 219 R N 4.592 125.074 120.500 -0.030 0.000 2.807 219 R HA 0.666 5.036 4.340 0.049 0.000 0.276 219 R C -1.023 175.230 176.300 -0.080 0.000 0.979 219 R CA -1.069 54.973 56.100 -0.097 0.000 0.928 219 R CB 2.226 32.442 30.300 -0.140 0.000 1.191 219 R HN 0.618 nan 8.270 nan 0.000 0.471 220 K N 1.115 121.455 120.400 -0.099 0.000 2.533 220 K HA 0.441 4.791 4.320 0.049 0.000 0.272 220 K C -2.803 173.772 176.600 -0.041 0.000 0.985 220 K CA -2.012 54.241 56.287 -0.057 0.000 0.876 220 K CB 2.473 34.943 32.500 -0.049 0.000 1.452 220 K HN 0.246 nan 8.250 nan 0.000 0.439 221 P HA 0.013 nan 4.420 nan 0.000 0.272 221 P C -0.439 176.896 177.300 0.059 0.000 1.223 221 P CA -0.004 63.112 63.100 0.027 0.000 0.784 221 P CB 0.399 32.116 31.700 0.029 0.000 0.923 222 H N 1.241 120.302 119.070 -0.015 0.000 2.529 222 H HA 0.210 4.796 4.556 0.050 0.000 0.277 222 H C 0.632 175.940 175.328 -0.033 0.000 1.004 222 H CA 0.504 56.549 56.048 -0.005 0.000 1.167 222 H CB -0.082 29.718 29.762 0.064 0.000 1.445 222 H HN 0.660 nan 8.280 nan 0.000 0.554 223 G N 0.790 109.540 108.800 -0.083 0.000 2.603 223 G HA2 -0.259 3.731 3.960 0.049 0.000 0.686 223 G HA3 -0.259 3.731 3.960 0.049 0.000 0.686 223 G C 0.135 174.982 174.900 -0.089 0.000 1.286 223 G CA -0.147 44.847 45.100 -0.176 0.000 0.871 223 G HN 0.623 nan 8.290 nan 0.000 0.568 224 H N -0.751 118.348 119.070 0.047 0.000 2.563 224 H HA 0.299 4.885 4.556 0.049 0.000 0.272 224 H C 2.355 177.698 175.328 0.024 0.000 1.005 224 H CA 1.556 57.633 56.048 0.048 0.000 1.171 224 H CB -0.312 29.484 29.762 0.057 0.000 1.351 224 H HN 0.930 nan 8.280 nan 0.000 0.602 225 G N 0.920 109.718 108.800 -0.003 0.000 2.432 225 G HA2 -0.265 3.725 3.960 0.049 0.000 0.219 225 G HA3 -0.265 3.725 3.960 0.049 0.000 0.219 225 G C 1.126 176.089 174.900 0.106 0.000 1.135 225 G CA 0.847 45.994 45.100 0.078 0.000 0.767 225 G HN 0.382 nan 8.290 nan 0.000 0.550 226 D N 0.027 120.502 120.400 0.124 0.000 2.354 226 D HA -0.097 4.573 4.640 0.049 0.000 0.216 226 D C 2.401 178.758 176.300 0.095 0.000 0.970 226 D CA 0.375 54.467 54.000 0.153 0.000 0.905 226 D CB -0.047 40.852 40.800 0.165 0.000 0.903 226 D HN 0.219 nan 8.370 nan 0.000 0.508 227 V N 0.971 120.893 119.914 0.013 0.000 2.515 227 V HA -0.224 3.926 4.120 0.049 0.000 0.250 227 V C 2.037 178.160 176.094 0.048 0.000 1.058 227 V CA 1.639 63.946 62.300 0.012 0.000 1.064 227 V CB -0.265 31.565 31.823 0.012 0.000 0.675 227 V HN 0.286 nan 8.190 nan 0.000 0.461 228 H N 0.422 119.618 119.070 0.209 0.000 2.357 228 H HA -0.067 4.519 4.556 0.050 0.000 0.301 228 H C 2.653 178.077 175.328 0.160 0.000 1.082 228 H CA 1.787 57.956 56.048 0.202 0.000 1.342 228 H CB -0.699 29.117 29.762 0.090 0.000 1.389 228 H HN 0.685 nan 8.280 nan 0.000 0.511 229 S N 0.930 116.765 115.700 0.225 0.000 2.368 229 S HA -0.094 4.405 4.470 0.049 0.000 0.224 229 S C 2.258 176.961 174.600 0.173 0.000 1.029 229 S CA 0.610 58.916 58.200 0.176 0.000 0.988 229 S CB -0.588 62.676 63.200 0.107 0.000 0.838 229 S HN 0.037 nan 8.310 nan 0.000 0.462 230 L N 1.770 123.075 121.223 0.136 0.000 2.012 230 L HA 0.032 4.402 4.340 0.049 0.000 0.210 230 L C 2.476 179.401 176.870 0.092 0.000 1.073 230 L CA 1.420 56.320 54.840 0.099 0.000 0.748 230 L CB -0.909 41.208 42.059 0.097 0.000 0.891 230 L HN 0.383 nan 8.230 nan 0.000 0.431 231 I N -2.370 118.289 120.570 0.148 0.000 2.252 231 I HA -0.356 3.844 4.170 0.049 0.000 0.245 231 I C 2.441 178.595 176.117 0.061 0.000 1.102 231 I CA 1.234 62.609 61.300 0.125 0.000 1.385 231 I CB -0.430 37.742 38.000 0.286 0.000 1.064 231 I HN 0.254 nan 8.210 nan 0.000 0.414 232 Y N 2.215 122.520 120.300 0.008 0.000 2.165 232 Y HA -0.290 4.290 4.550 0.049 0.000 0.286 232 Y C 1.919 177.755 175.900 -0.106 0.000 1.155 232 Y CA 2.074 60.133 58.100 -0.069 0.000 1.164 232 Y CB -0.506 37.908 38.460 -0.076 0.000 0.978 232 Y HN 0.201 nan 8.280 nan 0.000 0.513 233 N N 0.165 118.806 118.700 -0.099 0.000 2.412 233 N HA 0.193 4.962 4.740 0.049 0.000 0.184 233 N C -0.111 175.288 175.510 -0.186 0.000 1.101 233 N CA 0.319 53.258 53.050 -0.185 0.000 0.881 233 N CB 0.082 38.556 38.487 -0.021 0.000 0.969 233 N HN 0.305 nan 8.380 nan 0.000 0.459 234 A N 0.609 123.320 122.820 -0.182 0.000 2.354 234 A HA 0.490 4.840 4.320 0.049 0.000 0.269 234 A C 0.654 178.076 177.584 -0.270 0.000 1.109 234 A CA -0.276 51.645 52.037 -0.193 0.000 0.800 234 A CB 0.230 19.117 19.000 -0.188 0.000 1.045 234 A HN 0.231 nan 8.150 nan 0.000 0.489 235 T N -1.362 113.057 114.554 -0.224 0.000 2.858 235 T HA 0.739 5.118 4.350 0.049 0.000 0.285 235 T C -0.242 174.340 174.700 -0.197 0.000 1.052 235 T CA -0.369 61.598 62.100 -0.221 0.000 1.009 235 T CB 1.105 69.880 68.868 -0.154 0.000 1.241 235 T HN 1.409 nan 8.240 nan 0.000 0.542 252 Q N 1.153 120.899 119.800 -0.091 0.000 2.230 252 Q HA 0.528 4.897 4.340 0.049 0.000 0.253 252 Q C -2.730 173.164 176.000 -0.176 0.000 0.919 252 Q CA -2.388 53.346 55.803 -0.115 0.000 0.908 252 Q CB 1.663 30.345 28.738 -0.092 0.000 1.245 252 Q HN 0.224 nan 8.270 nan 0.000 0.437 253 P HA -0.097 nan 4.420 nan 0.000 0.266 253 P C 0.349 177.427 177.300 -0.369 0.000 1.195 253 P CA -0.072 62.853 63.100 -0.290 0.000 0.768 253 P CB 0.568 32.096 31.700 -0.286 0.000 0.838 254 L N 5.908 126.828 121.223 -0.504 0.000 1.990 254 L HA -0.204 4.165 4.340 0.049 0.000 0.213 254 L C 2.052 178.273 176.870 -1.081 0.000 1.072 254 L CA 2.148 56.489 54.840 -0.832 0.000 0.755 254 L CB -1.320 40.153 42.059 -0.977 0.000 0.889 254 L HN 0.312 nan 8.230 nan 0.000 0.432 255 V N -2.908 116.543 119.914 -0.772 0.000 2.594 255 V HA -0.229 3.920 4.120 0.049 0.000 0.253 255 V C 2.064 178.071 176.094 -0.145 0.000 1.069 255 V CA 2.072 64.129 62.300 -0.405 0.000 1.082 255 V CB -1.301 30.489 31.823 -0.053 0.000 0.680 255 V HN 0.594 nan 8.190 nan 0.000 0.469 256 N N 0.880 119.468 118.700 -0.187 0.000 2.106 256 N HA -0.208 4.562 4.740 0.049 0.000 0.188 256 N C 1.687 177.173 175.510 -0.040 0.000 1.029 256 N CA 1.597 54.599 53.050 -0.079 0.000 0.848 256 N CB -0.297 38.131 38.487 -0.098 0.000 1.007 256 N HN 0.598 nan 8.380 nan 0.000 0.423 257 D N 0.419 120.740 120.400 -0.131 0.000 2.123 257 D HA -0.172 4.498 4.640 0.049 0.000 0.196 257 D C 1.542 177.935 176.300 0.155 0.000 0.992 257 D CA 1.096 55.072 54.000 -0.038 0.000 0.833 257 D CB 0.030 40.754 40.800 -0.126 0.000 0.954 257 D HN 0.280 nan 8.370 nan 0.000 0.455 258 W N 0.511 121.838 121.300 0.044 0.000 2.381 258 W HA 0.032 4.722 4.660 0.050 0.000 0.301 258 W C 2.331 178.958 176.519 0.181 0.000 1.205 258 W CA 0.225 57.624 57.345 0.091 0.000 1.285 258 W CB -1.220 28.228 29.460 -0.019 0.000 1.133 258 W HN 0.118 nan 8.180 nan 0.000 0.521 259 L N 0.192 121.616 121.223 0.336 0.000 2.017 259 L HA -0.167 4.203 4.340 0.049 0.000 0.208 259 L C 2.611 179.583 176.870 0.170 0.000 1.073 259 L CA 1.596 56.572 54.840 0.227 0.000 0.745 259 L CB -1.245 40.910 42.059 0.159 0.000 0.894 259 L HN -0.122 nan 8.230 nan 0.000 0.432 260 A N -0.288 122.616 122.820 0.141 0.000 2.070 260 A HA -0.067 4.283 4.320 0.049 0.000 0.220 260 A C 2.274 179.924 177.584 0.111 0.000 1.159 260 A CA 1.496 53.592 52.037 0.099 0.000 0.656 260 A CB -0.505 18.537 19.000 0.070 0.000 0.800 260 A HN 0.414 nan 8.150 nan 0.000 0.453 261 A N -2.116 120.814 122.820 0.184 0.000 2.251 261 A HA 0.432 4.781 4.320 0.049 0.000 0.209 261 A C 1.709 179.309 177.584 0.026 0.000 1.187 261 A CA 1.161 53.301 52.037 0.172 0.000 0.823 261 A CB -0.606 18.608 19.000 0.357 0.000 0.846 261 A HN 1.771 nan 8.150 nan 0.000 0.486 262 G N -2.377 106.443 108.800 0.033 0.000 2.176 262 G HA2 -0.252 3.738 3.960 0.049 0.000 0.232 262 G HA3 -0.252 3.738 3.960 0.049 0.000 0.232 262 G C -0.018 174.790 174.900 -0.154 0.000 0.986 262 G CA 0.013 45.064 45.100 -0.082 0.000 0.643 262 G HN 0.372 nan 8.290 nan 0.000 0.522 263 Y N 0.910 121.230 120.300 0.034 0.000 2.497 263 Y HA 0.436 5.015 4.550 0.049 0.000 0.334 263 Y C 1.633 177.533 175.900 -0.001 0.000 1.199 263 Y CA 1.010 59.100 58.100 -0.017 0.000 1.425 263 Y CB 0.649 39.067 38.460 -0.070 0.000 1.291 263 Y HN 0.266 nan 8.280 nan 0.000 0.562 264 E N 0.075 120.337 120.200 0.102 0.000 2.536 264 E HA 0.175 4.554 4.350 0.049 0.000 0.220 264 E C -0.378 176.255 176.600 0.056 0.000 0.876 264 E CA 0.112 56.553 56.400 0.068 0.000 1.190 264 E CB 0.806 30.521 29.700 0.026 0.000 1.191 264 E HN 0.402 nan 8.360 nan 0.000 0.557 265 S N 0.589 116.291 115.700 0.004 0.000 2.570 265 S HA 0.574 5.073 4.470 0.049 0.000 0.286 265 S C -1.071 173.421 174.600 -0.180 0.000 1.099 265 S CA -0.622 57.551 58.200 -0.045 0.000 0.913 265 S CB 2.302 65.463 63.200 -0.066 0.000 1.085 265 S HN 0.167 nan 8.310 nan 0.000 0.480 266 I N 2.216 122.689 120.570 -0.163 0.000 2.533 266 I HA 0.661 4.861 4.170 0.049 0.000 0.290 266 I C -1.667 174.319 176.117 -0.218 0.000 1.056 266 I CA -0.657 60.427 61.300 -0.360 0.000 1.057 266 I CB 1.262 38.983 38.000 -0.465 0.000 1.240 266 I HN 0.382 nan 8.210 nan 0.000 0.423 267 V N 7.540 127.201 119.914 -0.422 0.000 2.540 267 V HA 0.484 4.634 4.120 0.049 0.000 0.302 267 V C -0.884 175.027 176.094 -0.305 0.000 1.035 267 V CA -0.470 61.712 62.300 -0.196 0.000 0.873 267 V CB 1.743 33.468 31.823 -0.163 0.000 0.992 267 V HN 0.460 nan 8.190 nan 0.000 0.428 268 F N 5.376 125.286 119.950 -0.068 0.000 2.444 268 F HA 0.746 5.303 4.527 0.049 0.000 0.342 268 F C 0.239 175.985 175.800 -0.091 0.000 1.121 268 F CA -0.655 57.300 58.000 -0.076 0.000 0.997 268 F CB 1.556 40.553 39.000 -0.005 0.000 1.130 268 F HN 0.416 nan 8.300 nan 0.000 0.454 269 I N -0.367 120.200 120.570 -0.005 0.000 2.892 269 I HA 0.625 4.825 4.170 0.049 0.000 0.306 269 I C -1.006 175.050 176.117 -0.102 0.000 1.078 269 I CA -1.044 60.203 61.300 -0.089 0.000 1.032 269 I CB 2.100 39.957 38.000 -0.239 0.000 1.229 269 I HN 0.468 nan 8.210 nan 0.000 0.435 270 Q N 1.353 121.092 119.800 -0.102 0.000 2.194 270 Q HA 0.219 4.589 4.340 0.049 0.000 0.245 270 Q C -0.177 175.788 176.000 -0.059 0.000 0.993 270 Q CA -0.573 55.185 55.803 -0.075 0.000 0.930 270 Q CB 1.504 30.202 28.738 -0.067 0.000 1.238 270 Q HN 0.818 nan 8.270 nan 0.000 0.486 271 D N -1.027 119.359 120.400 -0.023 0.000 2.277 271 D HA -0.104 4.566 4.640 0.049 0.000 0.208 271 D C 0.905 177.128 176.300 -0.130 0.000 0.962 271 D CA 1.028 55.047 54.000 0.031 0.000 0.865 271 D CB -0.051 40.760 40.800 0.018 0.000 0.939 271 D HN 0.542 nan 8.370 nan 0.000 0.510 272 T N -2.996 111.365 114.554 -0.322 0.000 3.697 272 T HA 0.213 4.593 4.350 0.049 0.000 0.260 272 T C -0.499 173.912 174.700 -0.481 0.000 0.998 272 T CA -0.888 60.655 62.100 -0.928 0.000 1.128 272 T CB -1.370 67.004 68.868 -0.823 0.000 1.082 272 T HN 0.173 nan 8.240 nan 0.000 0.541 273 N N 0.574 119.237 118.700 -0.062 0.000 2.682 273 N HA 0.500 5.269 4.740 0.049 0.000 0.252 273 N C 1.243 176.889 175.510 0.225 0.000 1.081 273 N CA -0.288 52.779 53.050 0.028 0.000 0.844 273 N CB 1.050 39.524 38.487 -0.021 0.000 1.167 273 N HN 0.318 nan 8.380 nan 0.000 0.523 274 A N 2.375 125.325 122.820 0.218 0.000 2.125 274 A HA -0.023 4.326 4.320 0.049 0.000 0.219 274 A C 1.980 179.651 177.584 0.145 0.000 1.156 274 A CA 1.521 53.648 52.037 0.150 0.000 0.671 274 A CB -0.538 18.344 19.000 -0.197 0.000 0.794 274 A HN 0.721 nan 8.150 nan 0.000 0.459 275 G N -0.280 108.539 108.800 0.032 0.000 2.485 275 G HA2 -0.055 3.935 3.960 0.049 0.000 0.221 275 G HA3 -0.055 3.935 3.960 0.049 0.000 0.221 275 G C 1.611 176.465 174.900 -0.077 0.000 1.115 275 G CA 1.248 46.322 45.100 -0.043 0.000 0.751 275 G HN 0.788 nan 8.290 nan 0.000 0.567 276 A N 0.950 123.749 122.820 -0.035 0.000 1.978 276 A HA -0.081 4.268 4.320 0.049 0.000 0.220 276 A C 2.637 180.068 177.584 -0.256 0.000 1.170 276 A CA 2.589 54.559 52.037 -0.112 0.000 0.636 276 A CB -1.039 17.929 19.000 -0.054 0.000 0.810 276 A HN 0.575 nan 8.150 nan 0.000 0.448 277 T N -2.236 112.081 114.554 -0.395 0.000 2.962 277 T HA -0.031 4.349 4.350 0.049 0.000 0.270 277 T C 1.588 176.045 174.700 -0.405 0.000 1.088 277 T CA 1.267 62.809 62.100 -0.931 0.000 1.127 277 T CB -0.270 67.833 68.868 -1.274 0.000 0.883 277 T HN 0.275 nan 8.240 nan 0.000 0.493 278 I N 2.450 122.903 120.570 -0.195 0.000 2.628 278 I HA 0.015 4.215 4.170 0.049 0.000 0.255 278 I C 2.931 179.014 176.117 -0.056 0.000 1.119 278 I CA 1.587 62.849 61.300 -0.062 0.000 1.448 278 I CB -1.564 36.419 38.000 -0.028 0.000 1.133 278 I HN 0.492 nan 8.210 nan 0.000 0.438 279 T N -0.588 113.835 114.554 -0.219 0.000 2.896 279 T HA 0.017 4.396 4.350 0.049 0.000 0.263 279 T C 2.039 176.669 174.700 -0.117 0.000 1.050 279 T CA 0.709 62.529 62.100 -0.467 0.000 1.140 279 T CB -0.576 67.679 68.868 -1.021 0.000 0.877 279 T HN 0.157 nan 8.240 nan 0.000 0.457 280 I N 2.304 122.855 120.570 -0.031 0.000 2.127 280 I HA -0.094 4.106 4.170 0.049 0.000 0.241 280 I C -0.499 175.732 176.117 0.189 0.000 1.075 280 I CA 1.421 62.788 61.300 0.111 0.000 1.334 280 I CB -1.156 36.974 38.000 0.217 0.000 1.040 280 I HN 0.238 nan 8.210 nan 0.000 0.405 281 P HA -0.175 nan 4.420 nan 0.000 0.215 281 P C 1.812 179.216 177.300 0.173 0.000 1.153 281 P CA 1.456 64.681 63.100 0.210 0.000 0.853 281 P CB -0.085 31.748 31.700 0.222 0.000 0.788 282 I N -0.634 120.064 120.570 0.215 0.000 2.179 282 I HA -0.182 4.018 4.170 0.049 0.000 0.242 282 I C 2.172 178.417 176.117 0.213 0.000 1.088 282 I CA 1.749 63.188 61.300 0.231 0.000 1.357 282 I CB -1.797 36.435 38.000 0.387 0.000 1.051 282 I HN -0.031 nan 8.210 nan 0.000 0.409 283 S N 1.153 117.024 115.700 0.285 0.000 2.359 283 S HA -0.132 4.367 4.470 0.049 0.000 0.224 283 S C 2.156 176.820 174.600 0.107 0.000 1.035 283 S CA 1.156 59.486 58.200 0.218 0.000 1.018 283 S CB -0.471 62.855 63.200 0.210 0.000 0.876 283 S HN 0.344 nan 8.310 nan 0.000 0.448 284 L N 1.170 122.450 121.223 0.094 0.000 2.013 284 L HA -0.225 4.145 4.340 0.049 0.000 0.212 284 L C 2.811 179.700 176.870 0.033 0.000 1.073 284 L CA 1.409 56.280 54.840 0.052 0.000 0.753 284 L CB -0.729 41.364 42.059 0.057 0.000 0.890 284 L HN 0.346 nan 8.230 nan 0.000 0.432 285 A N -0.205 122.640 122.820 0.043 0.000 1.908 285 A HA -0.181 4.168 4.320 0.049 0.000 0.218 285 A C 2.223 179.791 177.584 -0.026 0.000 1.181 285 A CA 1.626 53.668 52.037 0.009 0.000 0.627 285 A CB -0.680 18.333 19.000 0.022 0.000 0.818 285 A HN 0.391 nan 8.150 nan 0.000 0.445 286 L N -1.066 120.156 121.223 -0.002 0.000 2.179 286 L HA -0.077 4.292 4.340 0.049 0.000 0.208 286 L C 2.810 179.660 176.870 -0.033 0.000 1.096 286 L CA 1.030 55.859 54.840 -0.017 0.000 0.779 286 L CB -0.328 41.734 42.059 0.005 0.000 0.922 286 L HN 0.303 nan 8.230 nan 0.000 0.443 287 S N -0.038 115.657 115.700 -0.008 0.000 2.370 287 S HA -0.208 4.292 4.470 0.049 0.000 0.226 287 S C 2.140 176.729 174.600 -0.018 0.000 1.033 287 S CA 1.465 59.663 58.200 -0.003 0.000 1.011 287 S CB -0.184 63.020 63.200 0.006 0.000 0.852 287 S HN 0.511 nan 8.310 nan 0.000 0.457 288 A N 0.943 123.742 122.820 -0.035 0.000 1.897 288 A HA -0.054 4.296 4.320 0.049 0.000 0.215 288 A C 1.980 179.500 177.584 -0.106 0.000 1.181 288 A CA 1.507 53.516 52.037 -0.046 0.000 0.620 288 A CB -0.553 18.425 19.000 -0.036 0.000 0.821 288 A HN 0.612 nan 8.150 nan 0.000 0.443 289 E N -0.881 119.206 120.200 -0.188 0.000 2.110 289 E HA -0.210 4.170 4.350 0.049 0.000 0.193 289 E C 0.979 177.282 176.600 -0.494 0.000 0.988 289 E CA 1.144 57.329 56.400 -0.359 0.000 0.804 289 E CB -0.128 29.280 29.700 -0.488 0.000 0.745 289 E HN 0.754 nan 8.360 nan 0.000 0.458 290 H N -0.504 118.428 119.070 -0.230 0.000 2.542 290 H HA 0.229 4.815 4.556 0.049 0.000 0.283 290 H C -0.177 175.095 175.328 -0.094 0.000 1.059 290 H CA 0.422 56.321 56.048 -0.248 0.000 1.162 290 H CB 0.780 30.151 29.762 -0.651 0.000 1.539 290 H HN -0.015 nan 8.280 nan 0.000 0.543 291 S N 1.222 116.928 115.700 0.010 0.000 3.484 291 S HA -0.170 4.330 4.470 0.049 0.000 0.384 291 S C 0.262 174.917 174.600 0.091 0.000 0.932 291 S CA 0.114 58.343 58.200 0.047 0.000 1.293 291 S CB -1.734 61.496 63.200 0.050 0.000 0.919 291 S HN 0.348 nan 8.310 nan 0.000 0.540 292 L N 1.576 122.848 121.223 0.081 0.000 2.289 292 L HA 0.372 4.741 4.340 0.049 0.000 0.285 292 L C 1.292 178.213 176.870 0.085 0.000 1.049 292 L CA -0.736 54.160 54.840 0.095 0.000 0.804 292 L CB 0.849 42.956 42.059 0.081 0.000 1.195 292 L HN 0.208 nan 8.230 nan 0.000 0.428 293 D N 2.499 122.971 120.400 0.120 0.000 2.162 293 D HA 0.001 4.670 4.640 0.049 0.000 0.203 293 D C 0.416 176.694 176.300 -0.037 0.000 0.967 293 D CA 1.345 55.439 54.000 0.158 0.000 0.840 293 D CB 0.664 41.691 40.800 0.378 0.000 0.972 293 D HN 0.387 nan 8.370 nan 0.000 0.482 294 M N 0.779 120.236 119.600 -0.238 0.000 2.393 294 M HA 0.275 4.785 4.480 0.049 0.000 0.299 294 M C -1.837 174.235 176.300 -0.380 0.000 1.103 294 M CA -0.626 54.322 55.300 -0.586 0.000 0.910 294 M CB 2.438 34.502 32.600 -0.895 0.000 1.659 294 M HN -0.340 nan 8.290 nan 0.000 0.445 295 N N 4.488 122.910 118.700 -0.463 0.000 2.576 295 N HA 0.353 5.123 4.740 0.049 0.000 0.269 295 N C -2.111 173.274 175.510 -0.209 0.000 1.058 295 N CA -0.277 52.663 53.050 -0.183 0.000 0.860 295 N CB 0.682 39.123 38.487 -0.077 0.000 1.249 295 N HN 0.526 nan 8.380 nan 0.000 0.525 296 F N 1.255 121.116 119.950 -0.149 0.000 2.467 296 F HA 0.192 4.748 4.527 0.049 0.000 0.362 296 F C 1.294 177.080 175.800 -0.024 0.000 1.090 296 F CA 0.144 58.076 58.000 -0.112 0.000 1.202 296 F CB 0.828 39.763 39.000 -0.109 0.000 1.113 296 F HN 0.189 nan 8.300 nan 0.000 0.541 297 T N 3.946 118.587 114.554 0.145 0.000 2.761 297 T HA 0.368 4.748 4.350 0.049 0.000 0.296 297 T C -0.274 174.508 174.700 0.136 0.000 0.934 297 T CA -0.366 61.837 62.100 0.172 0.000 1.091 297 T CB -0.023 68.864 68.868 0.031 0.000 0.896 297 T HN 0.560 nan 8.240 nan 0.000 0.515 298 C N 3.731 123.145 119.300 0.191 0.000 2.913 298 C HA 0.889 5.378 4.460 0.049 0.000 0.322 298 C C -0.012 175.017 174.990 0.065 0.000 1.292 298 C CA -1.111 57.941 59.018 0.056 0.000 1.649 298 C CB 0.841 28.581 27.740 0.000 0.000 2.139 298 C HN 0.986 nan 8.230 nan 0.000 0.475 299 I N -1.855 118.676 120.570 -0.065 0.000 2.994 299 I HA 0.587 4.787 4.170 0.049 0.000 0.306 299 I C -3.157 172.843 176.117 -0.195 0.000 1.195 299 I CA -2.489 58.760 61.300 -0.086 0.000 1.001 299 I CB 1.692 39.642 38.000 -0.083 0.000 1.244 299 I HN 0.283 nan 8.210 nan 0.000 0.437 300 P HA 0.127 nan 4.420 nan 0.000 0.264 300 P C -1.208 175.801 177.300 -0.485 0.000 1.193 300 P CA 0.030 62.779 63.100 -0.585 0.000 0.763 300 P CB 0.410 31.392 31.700 -1.196 0.000 0.810 301 R N 3.022 123.384 120.500 -0.229 0.000 2.407 301 R HA 0.446 4.815 4.340 0.049 0.000 0.303 301 R C -0.596 175.869 176.300 0.276 0.000 0.981 301 R CA -0.944 55.152 56.100 -0.006 0.000 0.905 301 R CB 0.866 31.140 30.300 -0.043 0.000 1.099 301 R HN 0.348 nan 8.270 nan 0.000 0.459 302 V N 3.173 123.264 119.914 0.296 0.000 2.498 302 V HA 0.366 4.516 4.120 0.049 0.000 0.279 302 V C -2.000 174.181 176.094 0.146 0.000 1.048 302 V CA -1.895 60.572 62.300 0.278 0.000 0.967 302 V CB 1.339 33.295 31.823 0.221 0.000 0.988 302 V HN 0.768 nan 8.190 nan 0.000 0.473 303 P HA -0.198 nan 4.420 nan 0.000 0.219 303 P C 1.049 178.417 177.300 0.114 0.000 1.147 303 P CA 1.890 65.052 63.100 0.105 0.000 0.821 303 P CB 0.029 31.777 31.700 0.080 0.000 0.771 304 K N -1.455 119.002 120.400 0.094 0.000 2.348 304 K HA 0.113 4.463 4.320 0.049 0.000 0.194 304 K C 0.698 177.341 176.600 0.071 0.000 1.052 304 K CA -0.055 56.284 56.287 0.087 0.000 1.004 304 K CB 0.025 32.564 32.500 0.065 0.000 0.873 304 K HN 0.208 nan 8.250 nan 0.000 0.523 305 E N 2.930 123.173 120.200 0.070 0.000 2.481 305 E HA -0.047 4.333 4.350 0.049 0.000 0.263 305 E C -2.202 174.346 176.600 -0.087 0.000 0.992 305 E CA -1.293 55.132 56.400 0.040 0.000 0.938 305 E CB 0.459 30.212 29.700 0.088 0.000 0.933 305 E HN -0.029 nan 8.360 nan 0.000 0.453 306 P HA 0.084 nan 4.420 nan 0.000 0.226 306 P C -0.840 176.046 177.300 -0.689 0.000 1.758 306 P CA 0.344 62.898 63.100 -0.910 0.000 0.896 306 P CB -0.682 30.597 31.700 -0.702 0.000 1.784 307 I N -4.022 116.426 120.570 -0.204 0.000 2.689 307 I HA 0.804 5.004 4.170 0.049 0.000 0.299 307 I C 0.252 176.463 176.117 0.157 0.000 1.059 307 I CA -1.381 59.922 61.300 0.006 0.000 1.055 307 I CB 2.232 40.152 38.000 -0.134 0.000 1.243 307 I HN -0.095 nan 8.210 nan 0.000 0.425 308 G N 4.278 113.176 108.800 0.163 0.000 2.651 308 G HA2 0.512 4.502 3.960 0.049 0.000 0.260 308 G HA3 0.512 4.502 3.960 0.049 0.000 0.260 308 G C -0.801 174.050 174.900 -0.082 0.000 1.216 308 G CA -0.584 44.552 45.100 0.060 0.000 0.913 308 G HN 0.509 nan 8.290 nan 0.000 0.535 309 L N -0.336 120.786 121.223 -0.168 0.000 2.346 309 L HA 0.378 4.748 4.340 0.049 0.000 0.276 309 L C -0.171 176.513 176.870 -0.310 0.000 1.006 309 L CA -0.733 53.958 54.840 -0.249 0.000 0.817 309 L CB 1.852 43.684 42.059 -0.378 0.000 1.272 309 L HN 0.365 nan 8.230 nan 0.000 0.421 310 L N 3.366 124.396 121.223 -0.322 0.000 2.325 310 L HA 0.472 4.842 4.340 0.049 0.000 0.284 310 L C -0.705 175.922 176.870 -0.405 0.000 1.089 310 L CA 0.529 55.094 54.840 -0.458 0.000 0.836 310 L CB 0.084 41.855 42.059 -0.481 0.000 1.184 310 L HN 0.717 nan 8.230 nan 0.000 0.444 311 C N 4.138 123.152 119.300 -0.476 0.000 2.889 311 C HA 0.561 5.051 4.460 0.049 0.000 0.307 311 C C 0.067 174.845 174.990 -0.353 0.000 1.251 311 C CA -1.133 57.564 59.018 -0.534 0.000 1.593 311 C CB 2.075 29.349 27.740 -0.778 0.000 2.104 311 C HN 0.762 nan 8.230 nan 0.000 0.476 312 R N 1.365 121.695 120.500 -0.283 0.000 2.221 312 R HA 0.567 4.937 4.340 0.049 0.000 0.327 312 R C -0.359 176.008 176.300 0.113 0.000 1.033 312 R CA 0.345 56.375 56.100 -0.117 0.000 0.887 312 R CB 0.853 30.964 30.300 -0.315 0.000 1.057 312 R HN 1.005 nan 8.270 nan 0.000 0.455 313 T N 1.032 115.724 114.554 0.230 0.000 2.893 313 T HA 0.504 4.883 4.350 0.049 0.000 0.291 313 T C -0.920 173.889 174.700 0.181 0.000 1.028 313 T CA -1.109 61.072 62.100 0.135 0.000 0.995 313 T CB 1.978 70.747 68.868 -0.164 0.000 1.051 313 T HN 0.499 nan 8.240 nan 0.000 0.470 314 K N 2.087 122.516 120.400 0.048 0.000 2.640 314 K HA 0.348 4.697 4.320 0.049 0.000 0.245 314 K C 0.669 177.341 176.600 0.120 0.000 0.962 314 K CA -0.893 55.354 56.287 -0.067 0.000 0.896 314 K CB 2.392 34.623 32.500 -0.448 0.000 1.147 314 K HN 0.631 nan 8.250 nan 0.000 0.445 315 K N 1.667 122.170 120.400 0.172 0.000 2.026 315 K HA -0.077 4.273 4.320 0.049 0.000 0.208 315 K C 0.160 176.706 176.600 -0.089 0.000 1.048 315 K CA 1.452 57.739 56.287 0.000 0.000 0.929 315 K CB 0.248 32.673 32.500 -0.126 0.000 0.713 315 K HN 0.495 nan 8.250 nan 0.000 0.439 316 N N -0.918 117.737 118.700 -0.075 0.000 2.432 316 N HA 0.001 4.771 4.740 0.049 0.000 0.292 316 N C -0.020 175.434 175.510 -0.094 0.000 1.193 316 N CA -0.210 52.791 53.050 -0.083 0.000 0.878 316 N CB 1.640 40.082 38.487 -0.076 0.000 1.252 316 N HN -0.094 nan 8.380 nan 0.000 0.520 317 S N -0.090 115.560 115.700 -0.085 0.000 2.442 317 S HA -0.058 4.442 4.470 0.049 0.000 0.236 317 S C 1.439 175.975 174.600 -0.106 0.000 1.007 317 S CA 1.614 59.757 58.200 -0.095 0.000 0.965 317 S CB -0.358 62.802 63.200 -0.066 0.000 0.773 317 S HN 0.725 nan 8.310 nan 0.000 0.504 318 G N 0.150 108.897 108.800 -0.088 0.000 2.986 318 G HA2 0.142 4.132 3.960 0.049 0.000 0.213 318 G HA3 0.142 4.132 3.960 0.049 0.000 0.213 318 G C 0.125 174.973 174.900 -0.086 0.000 1.156 318 G CA -0.305 44.748 45.100 -0.078 0.000 0.763 318 G HN 0.395 nan 8.290 nan 0.000 0.547 319 D N 1.202 121.540 120.400 -0.102 0.000 2.358 319 D HA 0.266 4.935 4.640 0.049 0.000 0.244 319 D C -2.186 174.034 176.300 -0.132 0.000 1.163 319 D CA -0.806 53.140 54.000 -0.089 0.000 0.945 319 D CB 1.318 42.079 40.800 -0.066 0.000 1.152 319 D HN 0.018 nan 8.370 nan 0.000 0.451 320 P HA 0.086 nan 4.420 nan 0.000 0.274 320 P C -0.492 176.782 177.300 -0.044 0.000 1.246 320 P CA -0.447 62.626 63.100 -0.045 0.000 0.795 320 P CB 0.428 32.157 31.700 0.047 0.000 1.006 321 W N 0.898 122.220 121.300 0.036 0.000 2.223 321 W HA 0.272 4.962 4.660 0.049 0.000 0.334 321 W C 0.078 176.619 176.519 0.038 0.000 1.334 321 W CA 0.154 57.516 57.345 0.028 0.000 1.246 321 W CB 0.155 29.625 29.460 0.017 0.000 1.184 321 W HN 0.094 nan 8.180 nan 0.000 0.563 322 L N 3.994 125.414 121.223 0.327 0.000 2.406 322 L HA 0.340 4.710 4.340 0.049 0.000 0.272 322 L C -0.693 176.262 176.870 0.141 0.000 0.980 322 L CA -1.062 53.902 54.840 0.207 0.000 0.831 322 L CB 1.630 43.785 42.059 0.161 0.000 1.253 322 L HN 0.009 nan 8.230 nan 0.000 0.406 323 V N 3.795 123.768 119.914 0.100 0.000 2.405 323 V HA 0.643 4.793 4.120 0.049 0.000 0.264 323 V C 0.401 176.489 176.094 -0.010 0.000 1.048 323 V CA 0.027 62.325 62.300 -0.004 0.000 0.966 323 V CB 0.711 32.529 31.823 -0.008 0.000 1.015 323 V HN 0.832 nan 8.190 nan 0.000 0.477 324 A N 4.780 127.521 122.820 -0.132 0.000 2.609 324 A HA 0.530 4.879 4.320 0.049 0.000 0.291 324 A C -0.507 176.893 177.584 -0.307 0.000 1.096 324 A CA -0.814 51.149 52.037 -0.122 0.000 0.684 324 A CB 1.271 20.286 19.000 0.024 0.000 1.282 324 A HN 0.644 nan 8.150 nan 0.000 0.412 325 N N 0.678 119.227 118.700 -0.252 0.000 2.513 325 N HA 0.345 5.114 4.740 0.049 0.000 0.268 325 N C -1.054 174.367 175.510 -0.148 0.000 1.180 325 N CA 0.207 53.112 53.050 -0.243 0.000 0.948 325 N CB 0.823 39.276 38.487 -0.057 0.000 1.083 325 N HN 0.348 nan 8.380 nan 0.000 0.455 326 V N 3.517 123.323 119.914 -0.181 0.000 2.357 326 V HA 0.185 4.335 4.120 0.049 0.000 0.284 326 V C 0.312 176.360 176.094 -0.076 0.000 1.018 326 V CA -0.918 61.315 62.300 -0.112 0.000 0.841 326 V CB 1.233 32.979 31.823 -0.128 0.000 0.991 326 V HN 0.653 nan 8.190 nan 0.000 0.437 327 E N 2.627 122.762 120.200 -0.110 0.000 2.422 327 E HA 0.008 4.388 4.350 0.049 0.000 0.260 327 E C 0.841 177.374 176.600 -0.111 0.000 1.108 327 E CA 0.209 56.495 56.400 -0.189 0.000 0.943 327 E CB 0.629 30.085 29.700 -0.407 0.000 0.961 327 E HN 0.748 nan 8.360 nan 0.000 0.443 328 Y N 1.884 122.206 120.300 0.037 0.000 2.128 328 Y HA -0.270 4.311 4.550 0.051 0.000 0.284 328 Y C 1.525 177.500 175.900 0.125 0.000 1.154 328 Y CA 1.575 59.727 58.100 0.087 0.000 1.149 328 Y CB -0.855 37.645 38.460 0.066 0.000 0.976 328 Y HN 0.430 nan 8.280 nan 0.000 0.505 329 N N 0.820 119.422 118.700 -0.164 0.000 2.443 329 N HA -0.126 4.644 4.740 0.049 0.000 0.184 329 N C 1.303 176.819 175.510 0.011 0.000 1.037 329 N CA 1.498 54.542 53.050 -0.010 0.000 0.896 329 N CB -0.964 37.456 38.487 -0.113 0.000 0.959 329 N HN 0.448 nan 8.380 nan 0.000 0.442 330 V N -0.534 119.371 119.914 -0.014 0.000 2.795 330 V HA 0.080 4.229 4.120 0.049 0.000 0.243 330 V C 1.522 177.687 176.094 0.118 0.000 1.069 330 V CA 0.320 62.640 62.300 0.033 0.000 1.089 330 V CB -0.714 31.108 31.823 -0.002 0.000 0.756 330 V HN 0.140 nan 8.190 nan 0.000 0.471 331 F N 1.679 121.645 119.950 0.027 0.000 2.494 331 F HA -0.040 4.517 4.527 0.049 0.000 0.298 331 F C 1.996 177.844 175.800 0.080 0.000 1.106 331 F CA 0.821 58.856 58.000 0.058 0.000 1.452 331 F CB -0.215 38.825 39.000 0.067 0.000 1.085 331 F HN 0.097 nan 8.300 nan 0.000 0.569 332 A N 0.225 123.092 122.820 0.077 0.000 1.840 332 A HA -0.125 4.225 4.320 0.049 0.000 0.214 332 A C 2.144 179.696 177.584 -0.055 0.000 1.198 332 A CA 1.505 53.552 52.037 0.017 0.000 0.608 332 A CB -0.714 18.337 19.000 0.086 0.000 0.839 332 A HN 0.469 nan 8.150 nan 0.000 0.443 333 E N 0.031 120.219 120.200 -0.020 0.000 2.058 333 E HA -0.149 4.231 4.350 0.049 0.000 0.194 333 E C 1.929 178.495 176.600 -0.057 0.000 0.997 333 E CA 1.553 57.938 56.400 -0.025 0.000 0.801 333 E CB -0.421 29.278 29.700 -0.001 0.000 0.746 333 E HN 0.396 nan 8.360 nan 0.000 0.450 334 V N 1.114 120.987 119.914 -0.067 0.000 2.490 334 V HA -0.252 3.897 4.120 0.049 0.000 0.250 334 V C 2.307 178.284 176.094 -0.195 0.000 1.061 334 V CA 1.477 63.737 62.300 -0.066 0.000 1.064 334 V CB -0.586 31.253 31.823 0.027 0.000 0.670 334 V HN 0.170 nan 8.190 nan 0.000 0.461 335 S N 0.142 115.618 115.700 -0.373 0.000 2.456 335 S HA -0.319 4.180 4.470 0.049 0.000 0.232 335 S C 2.219 176.720 174.600 -0.165 0.000 1.046 335 S CA 2.457 60.417 58.200 -0.400 0.000 1.175 335 S CB -0.362 62.631 63.200 -0.344 0.000 1.129 335 S HN 0.501 nan 8.310 nan 0.000 0.420 336 R N 1.328 121.768 120.500 -0.101 0.000 2.115 336 R HA 0.216 4.585 4.340 0.049 0.000 0.226 336 R C 2.017 178.296 176.300 -0.035 0.000 1.100 336 R CA 1.485 57.555 56.100 -0.050 0.000 0.980 336 R CB -1.004 29.277 30.300 -0.031 0.000 0.875 336 R HN 0.356 nan 8.270 nan 0.000 0.445 337 A N -0.242 122.554 122.820 -0.039 0.000 2.015 337 A HA 0.052 4.401 4.320 0.049 0.000 0.219 337 A C 0.534 178.112 177.584 -0.009 0.000 1.163 337 A CA 0.663 52.687 52.037 -0.022 0.000 0.646 337 A CB -0.157 18.830 19.000 -0.023 0.000 0.806 337 A HN 0.232 nan 8.150 nan 0.000 0.448 338 L N -0.935 120.284 121.223 -0.006 0.000 2.372 338 L HA 0.671 5.040 4.340 0.049 0.000 0.273 338 L C -0.374 176.514 176.870 0.031 0.000 0.989 338 L CA -0.167 54.687 54.840 0.023 0.000 0.841 338 L CB 1.525 43.618 42.059 0.057 0.000 1.225 338 L HN 0.097 nan 8.230 nan 0.000 0.414 339 N N 1.350 120.071 118.700 0.035 0.000 2.223 339 N HA 0.035 4.805 4.740 0.049 0.000 0.309 339 N C -0.609 174.926 175.510 0.042 0.000 0.844 339 N CA 0.454 53.531 53.050 0.044 0.000 0.672 339 N CB 0.393 38.898 38.487 0.031 0.000 2.157 339 N HN 0.642 nan 8.380 nan 0.000 0.984 340 K N 1.494 121.911 120.400 0.029 0.000 2.118 340 K HA 0.192 4.541 4.320 0.049 0.000 0.240 340 K C -0.460 176.157 176.600 0.027 0.000 1.035 340 K CA -0.205 56.097 56.287 0.025 0.000 0.899 340 K CB 0.567 33.076 32.500 0.015 0.000 1.085 340 K HN 0.119 nan 8.250 nan 0.000 0.498 352 F N 1.802 121.733 119.950 -0.032 0.000 2.572 352 F HA 0.697 5.253 4.527 0.048 0.000 0.342 352 F C 0.858 176.618 175.800 -0.067 0.000 1.064 352 F CA -1.024 56.952 58.000 -0.039 0.000 1.008 352 F CB 1.634 40.609 39.000 -0.041 0.000 1.303 352 F HN -0.112 nan 8.300 nan 0.000 0.492 353 S N 1.607 117.396 115.700 0.148 0.000 2.568 353 S HA 0.038 4.537 4.470 0.049 0.000 0.282 353 S C -1.685 172.832 174.600 -0.138 0.000 1.338 353 S CA -0.723 57.468 58.200 -0.014 0.000 1.045 353 S CB 0.617 63.773 63.200 -0.075 0.000 0.873 353 S HN 0.375 nan 8.310 nan 0.000 0.516 354 P HA -0.021 nan 4.420 nan 0.000 0.218 354 P C -0.324 176.541 177.300 -0.726 0.000 1.148 354 P CA 1.177 63.896 63.100 -0.636 0.000 0.822 354 P CB 0.080 31.140 31.700 -1.066 0.000 0.784 355 F N -1.755 118.122 119.950 -0.122 0.000 2.538 355 F HA 0.485 5.041 4.527 0.049 0.000 0.325 355 F C -2.181 173.502 175.800 -0.195 0.000 1.066 355 F CA -3.415 54.480 58.000 -0.174 0.000 0.946 355 F CB 0.100 38.968 39.000 -0.222 0.000 1.199 355 F HN -0.405 nan 8.300 nan 0.000 0.473 356 P HA 0.155 nan 4.420 nan 0.000 0.269 356 P C -0.207 177.019 177.300 -0.123 0.000 1.209 356 P CA -0.242 62.799 63.100 -0.099 0.000 0.776 356 P CB 0.532 32.164 31.700 -0.112 0.000 0.876 357 G N 1.023 109.739 108.800 -0.141 0.000 2.372 357 G HA2 0.373 4.363 3.960 0.049 0.000 0.283 357 G HA3 0.373 4.363 3.960 0.049 0.000 0.283 357 G C -0.438 174.365 174.900 -0.162 0.000 1.177 357 G CA -0.184 44.822 45.100 -0.156 0.000 0.842 357 G HN 0.449 nan 8.290 nan 0.000 0.503 358 S N 0.540 116.154 115.700 -0.143 0.000 2.457 358 S HA 0.273 4.772 4.470 0.049 0.000 0.289 358 S C 1.080 175.600 174.600 -0.134 0.000 1.163 358 S CA -0.395 57.759 58.200 -0.078 0.000 1.078 358 S CB 1.357 64.555 63.200 -0.003 0.000 0.987 358 S HN 1.158 nan 8.310 nan 0.000 0.482 359 V N 2.076 121.891 119.914 -0.166 0.000 3.647 359 V HA 0.446 4.595 4.120 0.049 0.000 0.279 359 V C 0.530 176.581 176.094 -0.070 0.000 1.314 359 V CA 0.603 62.742 62.300 -0.268 0.000 1.125 359 V CB -1.717 29.864 31.823 -0.404 0.000 0.907 359 V HN 1.108 nan 8.190 nan 0.000 0.434 360 N N 0.184 118.878 118.700 -0.010 0.000 2.780 360 N HA -0.147 4.622 4.740 0.049 0.000 0.248 360 N C -0.357 175.139 175.510 -0.022 0.000 1.102 360 N CA 0.761 53.807 53.050 -0.008 0.000 0.697 360 N CB -0.963 37.499 38.487 -0.041 0.000 1.028 360 N HN 0.664 nan 8.380 nan 0.000 0.554 361 T N 1.724 116.263 114.554 -0.025 0.000 2.832 361 T HA 0.421 4.800 4.350 0.049 0.000 0.313 361 T C 0.205 174.873 174.700 -0.053 0.000 1.035 361 T CA -0.241 61.844 62.100 -0.024 0.000 0.950 361 T CB 0.743 69.583 68.868 -0.047 0.000 0.984 361 T HN 0.133 nan 8.240 nan 0.000 0.486 362 L N 3.737 124.942 121.223 -0.029 0.000 2.272 362 L HA 0.619 4.989 4.340 0.049 0.000 0.289 362 L C -0.340 176.456 176.870 -0.124 0.000 1.032 362 L CA -1.074 53.650 54.840 -0.194 0.000 0.810 362 L CB 1.410 43.366 42.059 -0.172 0.000 1.205 362 L HN 0.267 nan 8.230 nan 0.000 0.422 363 V N 4.036 123.738 119.914 -0.353 0.000 2.357 363 V HA 0.451 4.600 4.120 0.049 0.000 0.284 363 V C -0.392 175.470 176.094 -0.388 0.000 1.018 363 V CA -0.303 61.869 62.300 -0.213 0.000 0.841 363 V CB 1.198 32.959 31.823 -0.104 0.000 0.991 363 V HN 0.400 nan 8.190 nan 0.000 0.437 364 F N 2.594 122.512 119.950 -0.054 0.000 2.538 364 F HA 0.523 5.080 4.527 0.049 0.000 0.325 364 F C 0.379 176.184 175.800 0.007 0.000 1.066 364 F CA -0.944 57.041 58.000 -0.026 0.000 0.946 364 F CB 1.813 40.835 39.000 0.037 0.000 1.199 364 F HN 0.269 nan 8.300 nan 0.000 0.473 365 K N 2.872 123.427 120.400 0.259 0.000 2.349 365 K HA 0.177 4.527 4.320 0.049 0.000 0.288 365 K C 1.009 177.776 176.600 0.279 0.000 1.058 365 K CA -0.199 56.217 56.287 0.215 0.000 0.953 365 K CB 0.569 33.193 32.500 0.207 0.000 0.997 365 K HN 0.805 nan 8.250 nan 0.000 0.477 366 L N 3.134 124.480 121.223 0.205 0.000 2.013 366 L HA -0.269 4.101 4.340 0.049 0.000 0.212 366 L C 2.203 179.247 176.870 0.289 0.000 1.073 366 L CA 2.356 57.335 54.840 0.232 0.000 0.753 366 L CB -0.486 41.678 42.059 0.174 0.000 0.890 366 L HN 0.921 nan 8.230 nan 0.000 0.432 367 S N -1.619 114.221 115.700 0.234 0.000 2.368 367 S HA -0.181 4.319 4.470 0.049 0.000 0.225 367 S C 1.996 176.745 174.600 0.248 0.000 1.030 367 S CA 1.475 59.803 58.200 0.213 0.000 0.999 367 S CB -0.516 62.785 63.200 0.170 0.000 0.844 367 S HN 0.428 nan 8.310 nan 0.000 0.459 368 S N 0.883 116.774 115.700 0.318 0.000 2.368 368 S HA -0.056 4.443 4.470 0.049 0.000 0.225 368 S C 1.543 176.327 174.600 0.308 0.000 1.030 368 S CA 1.281 59.722 58.200 0.402 0.000 0.999 368 S CB -0.739 62.783 63.200 0.536 0.000 0.844 368 S HN 0.677 nan 8.310 nan 0.000 0.459 369 Y N 2.677 123.123 120.300 0.244 0.000 2.097 369 Y HA -0.219 4.360 4.550 0.050 0.000 0.282 369 Y C 2.237 178.155 175.900 0.031 0.000 1.152 369 Y CA 1.447 59.619 58.100 0.120 0.000 1.136 369 Y CB -0.719 37.739 38.460 -0.004 0.000 0.975 369 Y HN 0.020 nan 8.280 nan 0.000 0.498 370 V N 0.747 120.745 119.914 0.139 0.000 2.332 370 V HA -0.333 3.816 4.120 0.049 0.000 0.248 370 V C 2.077 178.132 176.094 -0.065 0.000 1.055 370 V CA 2.197 64.519 62.300 0.038 0.000 1.038 370 V CB -0.782 31.135 31.823 0.157 0.000 0.651 370 V HN 0.409 nan 8.190 nan 0.000 0.450 371 D N -0.115 120.276 120.400 -0.014 0.000 2.092 371 D HA -0.148 4.522 4.640 0.049 0.000 0.193 371 D C 2.440 178.648 176.300 -0.154 0.000 0.994 371 D CA 1.181 55.165 54.000 -0.026 0.000 0.828 371 D CB -0.295 40.557 40.800 0.086 0.000 0.963 371 D HN 0.274 nan 8.370 nan 0.000 0.450 372 R N 0.026 120.331 120.500 -0.326 0.000 2.115 372 R HA -0.052 4.318 4.340 0.049 0.000 0.230 372 R C 2.326 178.367 176.300 -0.432 0.000 1.111 372 R CA 0.181 55.982 56.100 -0.498 0.000 0.976 372 R CB -0.923 28.790 30.300 -0.980 0.000 0.870 372 R HN 0.241 nan 8.270 nan 0.000 0.445 373 L N 1.398 122.340 121.223 -0.469 0.000 1.994 373 L HA -0.158 4.211 4.340 0.049 0.000 0.208 373 L C 2.402 179.097 176.870 -0.292 0.000 1.071 373 L CA 1.787 56.378 54.840 -0.416 0.000 0.745 373 L CB -0.291 41.515 42.059 -0.421 0.000 0.892 373 L HN -0.019 nan 8.230 nan 0.000 0.431 374 R N -0.663 119.744 120.500 -0.155 0.000 2.096 374 R HA -0.222 4.148 4.340 0.049 0.000 0.235 374 R C 2.180 178.396 176.300 -0.139 0.000 1.127 374 R CA 1.464 57.515 56.100 -0.082 0.000 0.968 374 R CB -0.402 29.901 30.300 0.005 0.000 0.861 374 R HN 0.487 nan 8.270 nan 0.000 0.440 375 E N 0.749 120.871 120.200 -0.130 0.000 2.110 375 E HA -0.157 4.222 4.350 0.049 0.000 0.193 375 E C 1.524 178.075 176.600 -0.081 0.000 0.988 375 E CA 1.970 58.317 56.400 -0.089 0.000 0.804 375 E CB 0.054 29.684 29.700 -0.117 0.000 0.745 375 E HN 0.304 nan 8.360 nan 0.000 0.458 376 S N -1.962 113.637 115.700 -0.169 0.000 2.524 376 S HA 0.101 4.601 4.470 0.049 0.000 0.215 376 S C -0.109 174.381 174.600 -0.183 0.000 0.986 376 S CA 0.236 58.334 58.200 -0.169 0.000 0.911 376 S CB -0.181 62.897 63.200 -0.203 0.000 0.805 376 S HN 0.425 nan 8.310 nan 0.000 0.501 377 H N 1.012 119.658 119.070 -0.707 0.000 2.899 377 H HA -0.102 4.484 4.556 0.049 0.000 0.282 377 H C 1.358 176.251 175.328 -0.725 0.000 1.198 377 H CA 0.599 55.883 56.048 -1.272 0.000 1.140 377 H CB -1.817 27.495 29.762 -0.750 0.000 1.317 377 H HN 0.897 nan 8.280 nan 0.000 0.375 378 G N -1.280 107.300 108.800 -0.366 0.000 2.184 378 G HA2 -0.341 3.649 3.960 0.049 0.000 0.264 378 G HA3 -0.341 3.649 3.960 0.049 0.000 0.264 378 G C 0.350 175.231 174.900 -0.030 0.000 0.975 378 G CA 0.180 45.219 45.100 -0.103 0.000 0.642 378 G HN 0.452 nan 8.290 nan 0.000 0.536 379 I N 1.730 122.246 120.570 -0.091 0.000 2.533 379 I HA 0.389 4.589 4.170 0.049 0.000 0.284 379 I C 1.154 177.253 176.117 -0.029 0.000 1.109 379 I CA -0.584 60.685 61.300 -0.052 0.000 1.412 379 I CB 0.463 38.397 38.000 -0.110 0.000 1.396 379 I HN 0.401 nan 8.210 nan 0.000 0.543 380 V N 5.679 125.618 119.914 0.042 0.000 2.960 380 V HA 0.701 4.851 4.120 0.049 0.000 0.315 380 V C -2.563 173.579 176.094 0.081 0.000 1.087 380 V CA -2.371 59.962 62.300 0.054 0.000 0.982 380 V CB 1.331 33.216 31.823 0.104 0.000 1.039 380 V HN 0.523 nan 8.190 nan 0.000 0.437 381 P HA 0.262 nan 4.420 nan 0.000 0.266 381 P C -0.536 176.850 177.300 0.143 0.000 1.193 381 P CA 0.268 63.425 63.100 0.096 0.000 0.770 381 P CB 0.313 32.068 31.700 0.091 0.000 0.836 382 E N 0.765 121.057 120.200 0.153 0.000 2.299 382 E HA 0.700 5.079 4.350 0.049 0.000 0.260 382 E C -0.646 176.104 176.600 0.250 0.000 0.944 382 E CA -0.615 55.889 56.400 0.173 0.000 0.815 382 E CB 1.180 30.977 29.700 0.162 0.000 1.252 382 E HN 0.450 nan 8.360 nan 0.000 0.418 383 F N -0.941 119.013 119.950 0.007 0.000 2.789 383 F HA 0.718 5.274 4.527 0.049 0.000 0.319 383 F C -1.744 174.058 175.800 0.003 0.000 1.168 383 F CA -1.129 56.872 58.000 0.002 0.000 0.934 383 F CB 1.140 40.133 39.000 -0.011 0.000 1.375 383 F HN 0.395 nan 8.300 nan 0.000 0.480 384 I N 1.580 122.163 120.570 0.022 0.000 2.656 384 I HA 0.442 4.642 4.170 0.049 0.000 0.292 384 I C -1.770 174.400 176.117 0.089 0.000 1.144 384 I CA -0.552 60.681 61.300 -0.112 0.000 1.038 384 I CB 2.072 40.054 38.000 -0.031 0.000 1.244 384 I HN 0.817 nan 8.210 nan 0.000 0.420 385 N N 7.652 126.356 118.700 0.007 0.000 2.791 385 N HA 0.475 5.245 4.740 0.049 0.000 0.265 385 N C -2.796 172.659 175.510 -0.092 0.000 1.580 385 N CA -1.627 51.470 53.050 0.077 0.000 0.809 385 N CB 0.840 39.463 38.487 0.227 0.000 1.178 385 N HN 0.181 nan 8.380 nan 0.000 0.499 386 P HA 0.159 nan 4.420 nan 0.000 0.269 386 P C -0.733 176.239 177.300 -0.546 0.000 1.209 386 P CA 0.069 62.789 63.100 -0.634 0.000 0.776 386 P CB 0.574 31.620 31.700 -1.089 0.000 0.876 387 K N 2.908 122.996 120.400 -0.520 0.000 2.263 387 K HA 0.314 4.663 4.320 0.049 0.000 0.272 387 K C -0.460 175.975 176.600 -0.276 0.000 1.033 387 K CA -0.411 55.724 56.287 -0.255 0.000 0.884 387 K CB 0.513 32.950 32.500 -0.106 0.000 1.107 387 K HN 0.434 nan 8.250 nan 0.000 0.460 388 Y N 0.171 120.498 120.300 0.046 0.000 2.320 388 Y HA -0.012 4.567 4.550 0.049 0.000 0.324 388 Y C 1.881 177.838 175.900 0.095 0.000 1.190 388 Y CA -0.165 58.006 58.100 0.118 0.000 1.215 388 Y CB 1.287 39.823 38.460 0.125 0.000 1.221 388 Y HN 0.621 nan 8.280 nan 0.000 0.486 389 S N -0.919 114.933 115.700 0.254 0.000 2.436 389 S HA 0.019 4.519 4.470 0.049 0.000 0.228 389 S C -0.037 174.647 174.600 0.140 0.000 1.014 389 S CA 0.592 58.887 58.200 0.160 0.000 0.950 389 S CB 0.053 63.332 63.200 0.131 0.000 0.784 389 S HN 0.605 nan 8.310 nan 0.000 0.504 390 D N 0.352 120.849 120.400 0.160 0.000 2.493 390 D HA 0.324 4.994 4.640 0.049 0.000 0.239 390 D C 0.791 177.139 176.300 0.081 0.000 1.049 390 D CA -0.667 53.394 54.000 0.102 0.000 1.008 390 D CB 1.364 42.209 40.800 0.076 0.000 1.398 390 D HN -0.017 nan 8.370 nan 0.000 0.513 391 E N 0.202 120.428 120.200 0.042 0.000 2.035 391 E HA -0.129 4.251 4.350 0.049 0.000 0.204 391 E C 0.284 176.860 176.600 -0.039 0.000 1.025 391 E CA 1.468 57.874 56.400 0.011 0.000 0.835 391 E CB -0.261 29.443 29.700 0.007 0.000 0.764 391 E HN 0.321 nan 8.360 nan 0.000 0.457 392 T N 0.947 115.477 114.554 -0.039 0.000 3.741 392 T HA 0.309 4.689 4.350 0.049 0.000 0.242 392 T C -0.191 174.480 174.700 -0.049 0.000 1.042 392 T CA -0.319 61.732 62.100 -0.081 0.000 1.278 392 T CB 0.650 69.477 68.868 -0.067 0.000 0.994 392 T HN -0.064 nan 8.240 nan 0.000 0.594 393 R N 1.163 121.655 120.500 -0.013 0.000 2.445 393 R HA 0.424 4.794 4.340 0.049 0.000 0.308 393 R C 0.801 177.153 176.300 0.086 0.000 0.961 393 R CA -0.940 55.177 56.100 0.029 0.000 0.862 393 R CB 0.805 31.138 30.300 0.055 0.000 1.144 393 R HN -0.014 nan 8.270 nan 0.000 0.447 394 R N 0.729 121.278 120.500 0.082 0.000 2.369 394 R HA -0.019 4.351 4.340 0.049 0.000 0.200 394 R C 0.387 176.853 176.300 0.275 0.000 1.046 394 R CA 0.287 56.508 56.100 0.203 0.000 1.057 394 R CB -0.323 30.034 30.300 0.095 0.000 0.888 394 R HN 0.309 nan 8.270 nan 0.000 0.474 395 S N 1.170 117.001 115.700 0.219 0.000 2.528 395 S HA 0.188 4.688 4.470 0.049 0.000 0.277 395 S C -0.324 174.480 174.600 0.340 0.000 1.297 395 S CA -0.545 57.737 58.200 0.137 0.000 1.052 395 S CB 0.168 63.423 63.200 0.091 0.000 0.917 395 S HN -0.004 nan 8.310 nan 0.000 0.492 396 F N 4.267 124.243 119.950 0.044 0.000 2.427 396 F HA 0.344 4.901 4.527 0.050 0.000 0.352 396 F C 1.439 177.234 175.800 -0.010 0.000 1.100 396 F CA -1.129 56.839 58.000 -0.053 0.000 1.191 396 F CB 0.875 39.830 39.000 -0.075 0.000 1.128 396 F HN 0.700 nan 8.300 nan 0.000 0.533 397 K N 2.189 122.686 120.400 0.161 0.000 2.155 397 K HA -0.097 4.253 4.320 0.049 0.000 0.203 397 K C -0.128 176.520 176.600 0.080 0.000 1.052 397 K CA 1.157 57.505 56.287 0.102 0.000 0.948 397 K CB 0.284 32.827 32.500 0.072 0.000 0.728 397 K HN 0.752 nan 8.250 nan 0.000 0.448 398 K N -0.025 120.409 120.400 0.057 0.000 2.527 398 K HA 0.397 4.747 4.320 0.049 0.000 0.260 398 K C -2.996 173.629 176.600 0.041 0.000 0.937 398 K CA -2.171 54.142 56.287 0.044 0.000 0.826 398 K CB 1.659 34.162 32.500 0.005 0.000 1.359 398 K HN -0.297 nan 8.250 nan 0.000 0.434 399 P HA -0.031 nan 4.420 nan 0.000 0.264 399 P C -1.070 176.220 177.300 -0.018 0.000 1.179 399 P CA 0.073 63.248 63.100 0.125 0.000 0.763 399 P CB 0.602 32.352 31.700 0.084 0.000 0.806 400 A N 2.917 125.714 122.820 -0.038 0.000 2.337 400 A HA 0.799 5.149 4.320 0.049 0.000 0.331 400 A C -0.177 177.377 177.584 -0.049 0.000 1.137 400 A CA -0.464 51.481 52.037 -0.152 0.000 0.807 400 A CB 1.246 19.998 19.000 -0.412 0.000 1.250 400 A HN 0.591 nan 8.150 nan 0.000 0.468 401 R N 1.528 121.977 120.500 -0.086 0.000 2.912 401 R HA 0.625 4.994 4.340 0.049 0.000 0.262 401 R C -1.412 174.857 176.300 -0.051 0.000 1.057 401 R CA -0.754 55.299 56.100 -0.079 0.000 0.981 401 R CB 0.241 30.504 30.300 -0.062 0.000 1.201 401 R HN 0.567 nan 8.270 nan 0.000 0.484 402 I N 1.504 122.094 120.570 0.033 0.000 2.575 402 I HA 0.157 4.356 4.170 0.049 0.000 0.285 402 I C 0.608 176.628 176.117 -0.161 0.000 1.085 402 I CA 0.176 61.454 61.300 -0.035 0.000 1.403 402 I CB 0.731 38.763 38.000 0.055 0.000 1.409 402 I HN 0.487 nan 8.210 nan 0.000 0.557 403 E N 3.564 123.406 120.200 -0.597 0.000 2.355 403 E HA 0.676 5.056 4.350 0.049 0.000 0.261 403 E C -1.150 175.008 176.600 -0.737 0.000 0.943 403 E CA -0.819 55.087 56.400 -0.824 0.000 0.806 403 E CB 2.273 31.379 29.700 -0.991 0.000 1.286 403 E HN 0.671 nan 8.360 nan 0.000 0.424 404 S N 0.088 115.503 115.700 -0.476 0.000 2.550 404 S HA 0.578 5.077 4.470 0.049 0.000 0.270 404 S C -1.305 173.252 174.600 -0.072 0.000 1.145 404 S CA -0.947 57.187 58.200 -0.111 0.000 0.852 404 S CB 0.676 63.781 63.200 -0.159 0.000 1.119 404 S HN 0.354 nan 8.310 nan 0.000 0.465 405 L N 2.700 123.967 121.223 0.074 0.000 2.346 405 L HA 0.480 4.850 4.340 0.049 0.000 0.276 405 L C 1.632 178.653 176.870 0.252 0.000 1.006 405 L CA -1.035 53.848 54.840 0.072 0.000 0.817 405 L CB 1.806 43.980 42.059 0.191 0.000 1.272 405 L HN 1.029 nan 8.230 nan 0.000 0.421 406 M N 1.120 120.987 119.600 0.446 0.000 2.279 406 M HA -0.148 4.361 4.480 0.049 0.000 0.264 406 M C 1.667 178.165 176.300 0.330 0.000 1.062 406 M CA 1.440 56.937 55.300 0.328 0.000 1.099 406 M CB -0.342 32.324 32.600 0.110 0.000 1.394 406 M HN 0.739 nan 8.290 nan 0.000 0.426 407 Q N 0.254 120.206 119.800 0.252 0.000 2.378 407 Q HA -0.111 4.258 4.340 0.049 0.000 0.205 407 Q C 0.393 176.537 176.000 0.239 0.000 0.954 407 Q CA 1.265 57.188 55.803 0.200 0.000 0.901 407 Q CB -0.682 28.215 28.738 0.265 0.000 0.981 407 Q HN 0.528 nan 8.270 nan 0.000 0.483 408 D N 1.452 121.984 120.400 0.220 0.000 2.371 408 D HA -0.007 4.662 4.640 0.049 0.000 0.221 408 D C 1.676 178.070 176.300 0.156 0.000 0.986 408 D CA 0.155 54.264 54.000 0.182 0.000 0.899 408 D CB -0.168 40.723 40.800 0.153 0.000 0.902 408 D HN 0.349 nan 8.370 nan 0.000 0.530 409 I N 0.478 121.122 120.570 0.123 0.000 2.567 409 I HA -0.262 3.938 4.170 0.049 0.000 0.257 409 I C 1.877 178.162 176.117 0.281 0.000 1.184 409 I CA 0.545 61.872 61.300 0.044 0.000 1.451 409 I CB 0.171 38.005 38.000 -0.278 0.000 1.089 409 I HN -0.090 nan 8.210 nan 0.000 0.441 410 A N 0.605 123.596 122.820 0.287 0.000 2.131 410 A HA -0.146 4.204 4.320 0.049 0.000 0.220 410 A C 2.109 179.905 177.584 0.354 0.000 1.158 410 A CA 1.104 53.341 52.037 0.333 0.000 0.665 410 A CB -0.700 18.507 19.000 0.346 0.000 0.795 410 A HN 0.557 nan 8.150 nan 0.000 0.460 411 L N -0.915 120.455 121.223 0.245 0.000 2.465 411 L HA -0.012 4.358 4.340 0.049 0.000 0.224 411 L C 1.625 178.576 176.870 0.135 0.000 1.145 411 L CA 0.421 55.365 54.840 0.173 0.000 0.834 411 L CB -0.231 41.902 42.059 0.123 0.000 0.944 411 L HN 0.387 nan 8.230 nan 0.000 0.451 412 L N -1.525 119.766 121.223 0.113 0.000 2.592 412 L HA 0.087 4.457 4.340 0.049 0.000 0.227 412 L C -0.110 176.639 176.870 -0.202 0.000 1.127 412 L CA -0.018 54.769 54.840 -0.090 0.000 0.884 412 L CB -0.004 41.899 42.059 -0.259 0.000 1.065 412 L HN 0.052 nan 8.230 nan 0.000 0.457 413 F N 0.791 120.736 119.950 -0.009 0.000 2.293 413 F HA 0.207 4.764 4.527 0.050 0.000 0.370 413 F C 1.097 177.001 175.800 0.174 0.000 1.090 413 F CA -0.885 57.125 58.000 0.017 0.000 1.133 413 F CB 0.878 39.846 39.000 -0.054 0.000 1.360 413 F HN -0.092 nan 8.300 nan 0.000 0.489 414 S N 1.119 117.029 115.700 0.351 0.000 2.585 414 S HA 0.110 4.610 4.470 0.049 0.000 0.273 414 S C 1.037 175.809 174.600 0.287 0.000 1.339 414 S CA -0.647 57.712 58.200 0.265 0.000 1.028 414 S CB 1.068 64.378 63.200 0.184 0.000 0.906 414 S HN 0.725 nan 8.310 nan 0.000 0.528 415 E N 0.698 121.030 120.200 0.220 0.000 2.268 415 E HA -0.143 4.237 4.350 0.049 0.000 0.195 415 E C 0.802 177.489 176.600 0.144 0.000 0.995 415 E CA 0.945 57.458 56.400 0.188 0.000 0.836 415 E CB -0.057 29.748 29.700 0.177 0.000 0.763 415 E HN 0.660 nan 8.360 nan 0.000 0.491 416 D N 0.737 121.212 120.400 0.124 0.000 2.123 416 D HA -0.109 4.560 4.640 0.049 0.000 0.200 416 D C 1.293 177.606 176.300 0.023 0.000 0.976 416 D CA 1.021 55.063 54.000 0.071 0.000 0.831 416 D CB 0.015 40.849 40.800 0.058 0.000 0.974 416 D HN 0.129 nan 8.370 nan 0.000 0.469 417 D N -1.588 118.818 120.400 0.010 0.000 2.355 417 D HA 0.022 4.692 4.640 0.049 0.000 0.206 417 D C 0.007 176.055 176.300 -0.419 0.000 1.010 417 D CA 0.343 54.208 54.000 -0.224 0.000 0.875 417 D CB 0.728 41.353 40.800 -0.291 0.000 0.966 417 D HN 0.233 nan 8.370 nan 0.000 0.512 418 Y N -0.280 120.115 120.300 0.158 0.000 2.581 418 Y HA 0.445 5.025 4.550 0.050 0.000 0.345 418 Y C 0.113 176.113 175.900 0.167 0.000 1.036 418 Y CA -1.038 57.188 58.100 0.210 0.000 1.042 418 Y CB 1.610 40.304 38.460 0.389 0.000 1.289 418 Y HN -0.500 nan 8.280 nan 0.000 0.471 419 R N 1.594 122.290 120.500 0.326 0.000 2.272 419 R HA 0.570 4.940 4.340 0.049 0.000 0.323 419 R C -1.563 174.832 176.300 0.158 0.000 1.002 419 R CA -0.502 55.721 56.100 0.205 0.000 0.900 419 R CB 0.936 31.337 30.300 0.168 0.000 1.151 419 R HN 0.341 nan 8.270 nan 0.000 0.507 420 V N 2.242 122.232 119.914 0.127 0.000 2.472 420 V HA 0.754 4.904 4.120 0.049 0.000 0.290 420 V C 0.722 176.865 176.094 0.082 0.000 1.037 420 V CA -0.474 61.863 62.300 0.063 0.000 0.908 420 V CB 1.620 33.487 31.823 0.074 0.000 0.985 420 V HN 0.931 nan 8.190 nan 0.000 0.454 421 G N 2.207 111.070 108.800 0.104 0.000 2.749 421 G HA2 0.772 4.761 3.960 0.049 0.000 0.300 421 G HA3 0.772 4.761 3.960 0.049 0.000 0.300 421 G C -0.751 174.232 174.900 0.138 0.000 1.352 421 G CA -0.218 44.936 45.100 0.090 0.000 0.789 421 G HN 1.045 nan 8.290 nan 0.000 0.509 422 G N -1.091 107.744 108.800 0.059 0.000 2.638 422 G HA2 0.581 4.571 3.960 0.049 0.000 0.302 422 G HA3 0.581 4.571 3.960 0.049 0.000 0.302 422 G C -1.096 173.851 174.900 0.079 0.000 1.365 422 G CA -0.317 44.833 45.100 0.083 0.000 0.987 422 G HN 0.604 nan 8.290 nan 0.000 0.495 423 T N 0.934 115.559 114.554 0.119 0.000 2.779 423 T HA 0.476 4.855 4.350 0.049 0.000 0.280 423 T C -0.156 174.518 174.700 -0.044 0.000 0.987 423 T CA -0.352 61.767 62.100 0.033 0.000 0.966 423 T CB 1.710 70.612 68.868 0.055 0.000 0.933 423 T HN 0.357 nan 8.240 nan 0.000 0.442 424 V N 4.961 124.760 119.914 -0.192 0.000 2.364 424 V HA 0.471 4.621 4.120 0.049 0.000 0.272 424 V C -0.475 175.459 176.094 -0.267 0.000 1.036 424 V CA -0.607 61.611 62.300 -0.138 0.000 0.880 424 V CB -0.242 31.504 31.823 -0.129 0.000 0.991 424 V HN 0.746 nan 8.190 nan 0.000 0.460 425 F N 1.491 121.428 119.950 -0.022 0.000 2.461 425 F HA 0.488 5.045 4.527 0.049 0.000 0.337 425 F C 0.965 176.764 175.800 -0.002 0.000 1.079 425 F CA -1.062 56.940 58.000 0.003 0.000 1.032 425 F CB 0.796 39.812 39.000 0.027 0.000 1.327 425 F HN 0.386 nan 8.300 nan 0.000 0.491 426 E N 0.294 120.650 120.200 0.259 0.000 2.392 426 E HA 0.093 4.473 4.350 0.049 0.000 0.264 426 E C 0.724 177.449 176.600 0.208 0.000 1.024 426 E CA -0.077 56.440 56.400 0.194 0.000 0.903 426 E CB 0.665 30.509 29.700 0.240 0.000 0.963 426 E HN 0.463 nan 8.360 nan 0.000 0.432 427 R N 1.618 122.213 120.500 0.158 0.000 2.105 427 R HA -0.189 4.181 4.340 0.049 0.000 0.239 427 R C 1.968 178.428 176.300 0.267 0.000 1.135 427 R CA 1.201 57.413 56.100 0.185 0.000 0.967 427 R CB -0.314 30.079 30.300 0.154 0.000 0.861 427 R HN 0.586 nan 8.270 nan 0.000 0.442 428 F N 1.848 121.881 119.950 0.138 0.000 2.250 428 F HA -0.222 4.332 4.527 0.045 0.000 0.301 428 F C 2.188 178.058 175.800 0.117 0.000 1.077 428 F CA 1.639 59.712 58.000 0.121 0.000 1.348 428 F CB -0.150 38.910 39.000 0.099 0.000 1.040 428 F HN -0.022 nan 8.300 nan 0.000 0.509 429 S N -1.444 114.312 115.700 0.093 0.000 2.561 429 S HA -0.129 4.371 4.470 0.049 0.000 0.225 429 S C 0.439 175.020 174.600 -0.031 0.000 0.977 429 S CA -0.131 58.055 58.200 -0.023 0.000 0.926 429 S CB -1.001 62.233 63.200 0.058 0.000 0.769 429 S HN 0.398 nan 8.310 nan 0.000 0.533 430 Y N 3.017 123.251 120.300 -0.110 0.000 2.454 430 Y HA 0.474 5.055 4.550 0.052 0.000 0.345 430 Y C -0.002 175.839 175.900 -0.098 0.000 0.970 430 Y CA -1.104 56.931 58.100 -0.109 0.000 1.204 430 Y CB 0.505 38.919 38.460 -0.076 0.000 1.122 430 Y HN 0.215 nan 8.280 nan 0.000 0.514 431 Q N 8.199 127.743 119.800 -0.427 0.000 2.470 431 Q HA 0.263 4.633 4.340 0.049 0.000 0.389 431 Q C -2.642 173.131 176.000 -0.379 0.000 0.888 431 Q CA -1.945 53.645 55.803 -0.355 0.000 1.106 431 Q CB 0.903 29.494 28.738 -0.246 0.000 1.368 431 Q HN 0.507 nan 8.270 nan 0.000 0.403 432 P HA 0.056 nan 4.420 nan 0.000 0.274 432 P C -0.200 176.942 177.300 -0.264 0.000 1.231 432 P CA -0.154 62.654 63.100 -0.487 0.000 0.790 432 P CB 1.541 32.835 31.700 -0.677 0.000 0.951 433 V N 4.184 123.964 119.914 -0.224 0.000 2.277 433 V HA 0.210 4.360 4.120 0.049 0.000 0.269 433 V C 1.196 177.217 176.094 -0.122 0.000 1.036 433 V CA 0.241 62.458 62.300 -0.138 0.000 0.821 433 V CB 0.390 32.130 31.823 -0.138 0.000 1.052 433 V HN 0.620 nan 8.190 nan 0.000 0.462 434 K N 1.945 122.309 120.400 -0.059 0.000 2.504 434 K HA 0.286 4.636 4.320 0.049 0.000 0.203 434 K C 0.236 176.844 176.600 0.014 0.000 1.350 434 K CA -0.098 56.170 56.287 -0.032 0.000 0.953 434 K CB 0.654 33.128 32.500 -0.043 0.000 1.243 434 K HN 0.486 nan 8.250 nan 0.000 0.534 435 N N 1.474 120.197 118.700 0.039 0.000 2.417 435 N HA 0.112 4.881 4.740 0.049 0.000 0.300 435 N C -0.404 175.134 175.510 0.048 0.000 1.102 435 N CA -0.162 52.919 53.050 0.051 0.000 0.886 435 N CB 1.830 40.358 38.487 0.068 0.000 1.203 435 N HN 0.044 nan 8.380 nan 0.000 0.496 436 S N 0.493 116.223 115.700 0.050 0.000 2.608 436 S HA 0.179 4.678 4.470 0.049 0.000 0.261 436 S C 1.663 176.304 174.600 0.069 0.000 1.314 436 S CA -0.583 57.647 58.200 0.049 0.000 0.992 436 S CB 0.431 63.659 63.200 0.047 0.000 0.935 436 S HN 0.500 nan 8.310 nan 0.000 0.564 437 L N 0.429 121.689 121.223 0.062 0.000 2.079 437 L HA -0.143 4.227 4.340 0.049 0.000 0.210 437 L C 2.984 179.914 176.870 0.099 0.000 1.081 437 L CA 2.061 56.953 54.840 0.087 0.000 0.752 437 L CB -0.627 41.449 42.059 0.029 0.000 0.896 437 L HN 0.923 nan 8.230 nan 0.000 0.433 438 E N 0.330 120.570 120.200 0.067 0.000 2.051 438 E HA -0.246 4.134 4.350 0.049 0.000 0.192 438 E C 1.964 178.610 176.600 0.076 0.000 0.991 438 E CA 1.428 57.866 56.400 0.064 0.000 0.799 438 E CB 0.081 29.809 29.700 0.047 0.000 0.748 438 E HN 0.516 nan 8.360 nan 0.000 0.449 439 E N 0.229 120.472 120.200 0.071 0.000 2.077 439 E HA -0.201 4.179 4.350 0.049 0.000 0.193 439 E C 2.068 178.712 176.600 0.074 0.000 0.989 439 E CA 0.920 57.359 56.400 0.066 0.000 0.800 439 E CB -0.172 29.563 29.700 0.059 0.000 0.746 439 E HN 0.329 nan 8.360 nan 0.000 0.452 440 A N 1.607 124.487 122.820 0.100 0.000 1.902 440 A HA -0.140 4.210 4.320 0.049 0.000 0.217 440 A C 2.417 180.089 177.584 0.147 0.000 1.181 440 A CA 1.737 53.834 52.037 0.099 0.000 0.623 440 A CB -0.661 18.449 19.000 0.183 0.000 0.818 440 A HN 0.297 nan 8.150 nan 0.000 0.443 441 A N -0.537 122.425 122.820 0.237 0.000 1.933 441 A HA 0.135 4.485 4.320 0.049 0.000 0.218 441 A C 2.385 180.042 177.584 0.122 0.000 1.175 441 A CA 1.908 54.084 52.037 0.232 0.000 0.628 441 A CB -1.310 17.792 19.000 0.169 0.000 0.814 441 A HN 0.699 nan 8.150 nan 0.000 0.444 442 G N -0.088 108.763 108.800 0.086 0.000 2.421 442 G HA2 -0.149 3.841 3.960 0.049 0.000 0.216 442 G HA3 -0.149 3.841 3.960 0.049 0.000 0.216 442 G C 1.564 176.487 174.900 0.038 0.000 1.171 442 G CA 1.014 46.148 45.100 0.057 0.000 0.775 442 G HN 0.423 nan 8.290 nan 0.000 0.543 443 L N 0.189 121.425 121.223 0.023 0.000 2.012 443 L HA -0.107 4.263 4.340 0.049 0.000 0.210 443 L C 2.995 179.844 176.870 -0.034 0.000 1.073 443 L CA 0.624 55.458 54.840 -0.009 0.000 0.748 443 L CB -0.580 41.460 42.059 -0.032 0.000 0.891 443 L HN 0.085 nan 8.230 nan 0.000 0.431 444 V N 0.047 119.929 119.914 -0.053 0.000 2.490 444 V HA -0.261 3.888 4.120 0.049 0.000 0.250 444 V C 2.678 178.767 176.094 -0.008 0.000 1.061 444 V CA 1.658 63.912 62.300 -0.076 0.000 1.064 444 V CB -0.756 30.994 31.823 -0.122 0.000 0.670 444 V HN 0.487 nan 8.190 nan 0.000 0.461 445 A N -0.543 122.294 122.820 0.028 0.000 2.067 445 A HA -0.228 4.121 4.320 0.049 0.000 0.219 445 A C 2.021 179.616 177.584 0.019 0.000 1.158 445 A CA 1.466 53.523 52.037 0.034 0.000 0.661 445 A CB -0.325 18.703 19.000 0.045 0.000 0.801 445 A HN 0.675 nan 8.150 nan 0.000 0.452 446 Q N -1.557 118.249 119.800 0.010 0.000 2.360 446 Q HA 0.336 4.706 4.340 0.049 0.000 0.202 446 Q C 1.019 177.017 176.000 -0.003 0.000 0.915 446 Q CA 0.342 56.150 55.803 0.008 0.000 0.943 446 Q CB 0.274 29.020 28.738 0.013 0.000 1.064 446 Q HN 0.792 nan 8.270 nan 0.000 0.511 447 G N 0.998 109.789 108.800 -0.015 0.000 2.143 447 G HA2 -0.274 3.715 3.960 0.049 0.000 0.249 447 G HA3 -0.274 3.715 3.960 0.049 0.000 0.249 447 G C -0.256 174.618 174.900 -0.043 0.000 0.981 447 G CA 0.101 45.184 45.100 -0.027 0.000 0.665 447 G HN 0.408 nan 8.290 nan 0.000 0.528 448 N N -0.218 118.450 118.700 -0.053 0.000 2.476 448 N HA 0.564 5.334 4.740 0.049 0.000 0.276 448 N C 0.770 176.184 175.510 -0.160 0.000 1.204 448 N CA -0.038 52.972 53.050 -0.066 0.000 0.974 448 N CB 0.699 39.169 38.487 -0.028 0.000 1.204 448 N HN 0.359 nan 8.380 nan 0.000 0.543 449 G N -0.897 107.770 108.800 -0.222 0.000 2.398 449 G HA2 0.316 4.305 3.960 0.049 0.000 0.246 449 G HA3 0.316 4.305 3.960 0.049 0.000 0.246 449 G C 0.688 175.267 174.900 -0.536 0.000 1.289 449 G CA -0.283 44.502 45.100 -0.525 0.000 0.869 449 G HN 0.642 nan 8.290 nan 0.000 0.543 450 A N 2.947 125.427 122.820 -0.567 0.000 1.872 450 A HA 0.159 4.509 4.320 0.049 0.000 0.214 450 A C 1.050 178.520 177.584 -0.189 0.000 1.187 450 A CA 0.860 52.668 52.037 -0.381 0.000 0.614 450 A CB -0.584 18.090 19.000 -0.545 0.000 0.826 450 A HN 1.063 nan 8.150 nan 0.000 0.442 451 Y N -1.496 118.733 120.300 -0.119 0.000 3.108 451 Y HA -0.249 4.332 4.550 0.052 0.000 0.208 451 Y C 0.938 176.785 175.900 -0.089 0.000 1.245 451 Y CA -0.311 57.714 58.100 -0.124 0.000 1.171 451 Y CB -2.891 35.491 38.460 -0.130 0.000 1.331 451 Y HN 0.716 nan 8.280 nan 0.000 0.534 452 C N -3.864 115.471 119.300 0.060 0.000 2.564 452 C HA 0.928 5.418 4.460 0.049 0.000 0.381 452 C C 1.930 176.940 174.990 0.034 0.000 1.297 452 C CA -0.420 58.633 59.018 0.057 0.000 1.846 452 C CB 1.312 29.118 27.740 0.110 0.000 2.198 452 C HN 0.619 nan 8.230 nan 0.000 0.507 453 A N 0.290 123.110 122.820 0.000 0.000 1.933 453 A HA 0.189 4.539 4.320 0.049 0.000 0.218 453 A C 2.270 179.853 177.584 -0.002 0.000 1.175 453 A CA 2.400 54.408 52.037 -0.048 0.000 0.628 453 A CB -1.291 17.633 19.000 -0.126 0.000 0.814 453 A HN 1.606 nan 8.150 nan 0.000 0.444 454 A N -0.222 122.647 122.820 0.083 0.000 1.902 454 A HA -0.097 4.253 4.320 0.049 0.000 0.217 454 A C 2.439 180.176 177.584 0.256 0.000 1.181 454 A CA 2.473 54.669 52.037 0.264 0.000 0.623 454 A CB -1.272 17.952 19.000 0.374 0.000 0.818 454 A HN 0.752 nan 8.150 nan 0.000 0.443 455 T N -3.139 111.522 114.554 0.179 0.000 2.985 455 T HA 0.133 4.512 4.350 0.049 0.000 0.266 455 T C 1.872 176.597 174.700 0.042 0.000 1.076 455 T CA 1.329 63.491 62.100 0.104 0.000 1.135 455 T CB -0.601 68.270 68.868 0.007 0.000 0.890 455 T HN 0.367 nan 8.240 nan 0.000 0.480 456 G N 1.392 110.202 108.800 0.017 0.000 2.433 456 G HA2 -0.210 3.779 3.960 0.049 0.000 0.216 456 G HA3 -0.210 3.779 3.960 0.049 0.000 0.216 456 G C 1.440 176.296 174.900 -0.073 0.000 1.186 456 G CA 0.920 46.000 45.100 -0.033 0.000 0.779 456 G HN 0.651 nan 8.290 nan 0.000 0.543 457 E N 0.464 120.617 120.200 -0.078 0.000 2.051 457 E HA -0.015 4.364 4.350 0.049 0.000 0.192 457 E C 2.755 179.212 176.600 -0.239 0.000 0.991 457 E CA 1.071 57.346 56.400 -0.209 0.000 0.799 457 E CB -0.291 29.363 29.700 -0.077 0.000 0.748 457 E HN 0.314 nan 8.360 nan 0.000 0.449 458 A N 1.170 123.990 122.820 -0.000 0.000 1.908 458 A HA -0.122 4.227 4.320 0.049 0.000 0.218 458 A C 2.405 180.041 177.584 0.086 0.000 1.181 458 A CA 1.873 53.958 52.037 0.081 0.000 0.627 458 A CB -0.831 18.249 19.000 0.133 0.000 0.818 458 A HN 0.435 nan 8.150 nan 0.000 0.445 459 A N -1.431 121.419 122.820 0.050 0.000 1.930 459 A HA -0.010 4.340 4.320 0.049 0.000 0.217 459 A C 2.018 179.603 177.584 0.003 0.000 1.175 459 A CA 1.494 53.555 52.037 0.040 0.000 0.627 459 A CB -0.660 18.247 19.000 -0.155 0.000 0.815 459 A HN 0.630 nan 8.150 nan 0.000 0.443 460 F N -0.420 119.396 119.950 -0.223 0.000 2.075 460 F HA -0.187 4.368 4.527 0.046 0.000 0.297 460 F C 2.147 177.884 175.800 -0.106 0.000 1.113 460 F CA 1.777 59.625 58.000 -0.253 0.000 1.218 460 F CB -0.405 38.332 39.000 -0.439 0.000 0.984 460 F HN 0.308 nan 8.300 nan 0.000 0.472 461 Y N 0.510 120.854 120.300 0.073 0.000 2.165 461 Y HA -0.223 4.353 4.550 0.043 0.000 0.286 461 Y C 2.525 178.359 175.900 -0.110 0.000 1.155 461 Y CA 1.608 59.675 58.100 -0.055 0.000 1.164 461 Y CB -1.381 37.043 38.460 -0.059 0.000 0.978 461 Y HN 0.210 nan 8.280 nan 0.000 0.513 462 E N 0.347 120.638 120.200 0.150 0.000 2.150 462 E HA -0.153 4.227 4.350 0.049 0.000 0.193 462 E C 2.060 178.754 176.600 0.155 0.000 0.985 462 E CA 0.741 57.224 56.400 0.139 0.000 0.814 462 E CB -0.551 29.295 29.700 0.243 0.000 0.752 462 E HN 0.326 nan 8.360 nan 0.000 0.466 463 L N 0.615 121.971 121.223 0.222 0.000 2.017 463 L HA -0.196 4.174 4.340 0.049 0.000 0.208 463 L C 1.968 178.823 176.870 -0.026 0.000 1.073 463 L CA 1.891 56.839 54.840 0.180 0.000 0.745 463 L CB -0.790 41.268 42.059 -0.002 0.000 0.894 463 L HN 0.122 nan 8.230 nan 0.000 0.432 464 Q N 0.111 119.802 119.800 -0.181 0.000 2.096 464 Q HA -0.216 4.154 4.340 0.049 0.000 0.204 464 Q C 2.344 178.294 176.000 -0.083 0.000 0.982 464 Q CA 1.878 57.588 55.803 -0.154 0.000 0.850 464 Q CB -0.597 28.032 28.738 -0.182 0.000 0.901 464 Q HN 0.598 nan 8.270 nan 0.000 0.422 465 R N 0.378 120.827 120.500 -0.084 0.000 2.075 465 R HA -0.005 4.365 4.340 0.049 0.000 0.232 465 R C 2.457 178.734 176.300 -0.038 0.000 1.126 465 R CA 0.930 56.977 56.100 -0.090 0.000 0.963 465 R CB -0.171 30.032 30.300 -0.163 0.000 0.858 465 R HN 0.234 nan 8.270 nan 0.000 0.435 466 R N 0.146 120.633 120.500 -0.022 0.000 2.075 466 R HA -0.021 4.348 4.340 0.049 0.000 0.232 466 R C 2.361 178.672 176.300 0.018 0.000 1.126 466 R CA 0.932 57.013 56.100 -0.032 0.000 0.963 466 R CB -0.117 30.144 30.300 -0.064 0.000 0.858 466 R HN 0.105 nan 8.270 nan 0.000 0.435 467 R N 0.867 121.384 120.500 0.028 0.000 2.073 467 R HA -0.069 4.301 4.340 0.049 0.000 0.234 467 R C 2.366 178.670 176.300 0.006 0.000 1.134 467 R CA 1.170 57.293 56.100 0.038 0.000 0.952 467 R CB -0.763 29.558 30.300 0.035 0.000 0.850 467 R HN 0.270 nan 8.270 nan 0.000 0.433 468 L N 0.890 122.091 121.223 -0.036 0.000 2.046 468 L HA -0.150 4.219 4.340 0.049 0.000 0.208 468 L C 2.388 179.187 176.870 -0.119 0.000 1.077 468 L CA 1.407 56.189 54.840 -0.096 0.000 0.747 468 L CB -0.339 41.611 42.059 -0.182 0.000 0.896 468 L HN 0.147 nan 8.230 nan 0.000 0.432 469 K N -0.039 120.301 120.400 -0.100 0.000 2.211 469 K HA -0.098 4.252 4.320 0.049 0.000 0.203 469 K C 2.146 178.710 176.600 -0.062 0.000 1.050 469 K CA 1.057 57.280 56.287 -0.107 0.000 0.945 469 K CB -0.168 32.264 32.500 -0.113 0.000 0.732 469 K HN 0.282 nan 8.250 nan 0.000 0.451 470 A N 1.895 124.704 122.820 -0.017 0.000 2.015 470 A HA -0.105 4.245 4.320 0.049 0.000 0.219 470 A C 1.977 179.563 177.584 0.003 0.000 1.163 470 A CA 1.086 53.133 52.037 0.017 0.000 0.646 470 A CB -0.614 18.418 19.000 0.053 0.000 0.806 470 A HN 0.479 nan 8.150 nan 0.000 0.448 471 I N -4.996 115.568 120.570 -0.010 0.000 3.812 471 I HA 0.496 4.696 4.170 0.049 0.000 0.320 471 I C 1.039 177.141 176.117 -0.026 0.000 1.276 471 I CA 0.609 61.907 61.300 -0.002 0.000 1.164 471 I CB -0.071 37.944 38.000 0.024 0.000 1.009 471 I HN 0.315 nan 8.210 nan 0.000 0.431 472 G N 1.793 110.561 108.800 -0.055 0.000 2.159 472 G HA2 -0.244 3.746 3.960 0.049 0.000 0.227 472 G HA3 -0.244 3.746 3.960 0.049 0.000 0.227 472 G C -0.156 174.674 174.900 -0.116 0.000 0.986 472 G CA -0.007 45.053 45.100 -0.068 0.000 0.651 472 G HN 0.364 nan 8.290 nan 0.000 0.523 473 L N 2.939 124.056 121.223 -0.176 0.000 2.477 473 L HA 0.471 4.841 4.340 0.049 0.000 0.272 473 L C -1.506 175.227 176.870 -0.228 0.000 1.157 473 L CA -1.624 53.058 54.840 -0.264 0.000 0.889 473 L CB 0.289 42.092 42.059 -0.427 0.000 1.158 473 L HN 0.022 nan 8.230 nan 0.000 0.473 474 P HA 0.142 nan 4.420 nan 0.000 0.247 474 P C -0.997 176.157 177.300 -0.245 0.000 1.756 474 P CA -0.069 62.903 63.100 -0.212 0.000 1.117 474 P CB -0.030 31.686 31.700 0.027 0.000 1.869 475 L N 4.023 125.053 121.223 -0.321 0.000 2.260 475 L HA 0.397 4.767 4.340 0.049 0.000 0.289 475 L C 0.173 176.864 176.870 -0.299 0.000 1.057 475 L CA -0.642 54.109 54.840 -0.149 0.000 0.811 475 L CB 0.113 42.176 42.059 0.007 0.000 1.184 475 L HN 0.150 nan 8.230 nan 0.000 0.429 476 F N 4.046 124.042 119.950 0.077 0.000 2.427 476 F HA 0.545 5.100 4.527 0.047 0.000 0.346 476 F C -0.109 175.749 175.800 0.097 0.000 1.120 476 F CA -0.662 57.338 58.000 0.000 0.000 1.033 476 F CB 1.080 40.067 39.000 -0.022 0.000 1.126 476 F HN 0.299 nan 8.300 nan 0.000 0.462 477 Y N -0.303 120.031 120.300 0.056 0.000 2.558 477 Y HA 0.526 5.103 4.550 0.045 0.000 0.333 477 Y C -0.559 175.336 175.900 -0.009 0.000 1.125 477 Y CA -1.620 56.474 58.100 -0.011 0.000 1.039 477 Y CB 0.657 39.084 38.460 -0.056 0.000 1.331 477 Y HN 0.432 nan 8.280 nan 0.000 0.456 478 S N 0.836 116.601 115.700 0.108 0.000 2.568 478 S HA 0.169 4.669 4.470 0.049 0.000 0.282 478 S C 0.986 175.636 174.600 0.084 0.000 1.338 478 S CA 0.235 58.467 58.200 0.053 0.000 1.045 478 S CB 0.293 63.531 63.200 0.064 0.000 0.873 478 S HN 1.131 nan 8.310 nan 0.000 0.516 479 S N 3.099 118.812 115.700 0.022 0.000 2.556 479 S HA 0.206 4.706 4.470 0.049 0.000 0.216 479 S C 0.303 174.941 174.600 0.062 0.000 0.970 479 S CA -0.455 57.770 58.200 0.040 0.000 0.912 479 S CB -0.003 63.186 63.200 -0.018 0.000 0.790 479 S HN 0.721 nan 8.310 nan 0.000 0.504 480 Q N 3.066 122.905 119.800 0.065 0.000 2.340 480 Q HA 0.366 4.735 4.340 0.049 0.000 0.249 480 Q C -2.496 173.552 176.000 0.081 0.000 0.957 480 Q CA -1.988 53.854 55.803 0.066 0.000 0.882 480 Q CB 0.343 29.116 28.738 0.059 0.000 1.235 480 Q HN 0.284 nan 8.270 nan 0.000 0.439 481 P HA 0.068 nan 4.420 nan 0.000 0.271 481 P C -0.467 176.877 177.300 0.074 0.000 1.218 481 P CA 0.098 63.246 63.100 0.080 0.000 0.780 481 P CB 0.811 32.562 31.700 0.084 0.000 0.901 482 E N -0.064 120.177 120.200 0.067 0.000 2.473 482 E HA 0.210 4.589 4.350 0.049 0.000 0.204 482 E C 0.098 176.730 176.600 0.053 0.000 0.994 482 E CA -0.041 56.407 56.400 0.079 0.000 0.945 482 E CB 0.890 30.667 29.700 0.128 0.000 0.990 482 E HN 0.146 nan 8.360 nan 0.000 0.493 483 V N 1.008 120.933 119.914 0.019 0.000 3.048 483 V HA 0.314 4.463 4.120 0.049 0.000 0.303 483 V C -1.275 174.825 176.094 0.010 0.000 1.214 483 V CA -0.623 61.684 62.300 0.013 0.000 0.984 483 V CB 2.260 34.061 31.823 -0.035 0.000 1.054 483 V HN 0.194 nan 8.190 nan 0.000 0.430 484 T N 3.088 117.646 114.554 0.007 0.000 2.859 484 T HA 0.841 5.221 4.350 0.049 0.000 0.281 484 T C -0.382 174.265 174.700 -0.088 0.000 1.005 484 T CA -0.170 61.903 62.100 -0.047 0.000 1.025 484 T CB 1.476 70.324 68.868 -0.032 0.000 0.977 484 T HN 1.603 nan 8.240 nan 0.000 0.458 485 V N -1.058 118.703 119.914 -0.255 0.000 3.126 485 V HA 0.912 5.061 4.120 0.049 0.000 0.314 485 V C 0.527 176.391 176.094 -0.383 0.000 1.138 485 V CA -0.944 61.190 62.300 -0.277 0.000 1.034 485 V CB 0.643 32.307 31.823 -0.265 0.000 1.075 485 V HN 2.233 nan 8.190 nan 0.000 0.442 486 A N 1.468 124.151 122.820 -0.229 0.000 2.519 486 A HA -0.123 4.227 4.320 0.049 0.000 0.297 486 A C 0.685 178.211 177.584 -0.096 0.000 1.472 486 A CA 1.049 52.999 52.037 -0.145 0.000 0.739 486 A CB -2.055 16.860 19.000 -0.142 0.000 1.096 486 A HN 1.587 nan 8.150 nan 0.000 0.414 487 K N -0.427 119.934 120.400 -0.065 0.000 3.419 487 K HA -0.211 4.139 4.320 0.049 0.000 0.272 487 K C 0.091 176.674 176.600 -0.029 0.000 0.973 487 K CA 1.190 57.459 56.287 -0.031 0.000 0.749 487 K CB -1.539 30.955 32.500 -0.009 0.000 1.403 487 K HN 1.190 nan 8.250 nan 0.000 0.456 488 D N -2.670 117.701 120.400 -0.048 0.000 2.911 488 D HA -0.261 4.408 4.640 0.049 0.000 0.227 488 D C 1.054 177.347 176.300 -0.011 0.000 1.164 488 D CA 1.349 55.332 54.000 -0.028 0.000 0.782 488 D CB -0.920 39.879 40.800 -0.000 0.000 1.094 488 D HN 0.623 nan 8.370 nan 0.000 0.425 489 A N -0.623 122.174 122.820 -0.038 0.000 1.843 489 A HA 0.295 4.644 4.320 0.049 0.000 0.213 489 A C 0.861 178.549 177.584 0.172 0.000 1.202 489 A CA 1.555 53.631 52.037 0.065 0.000 0.607 489 A CB 0.002 19.068 19.000 0.110 0.000 0.847 489 A HN 0.388 nan 8.150 nan 0.000 0.445 490 F N -3.952 116.017 119.950 0.033 0.000 2.664 490 F HA 0.758 5.333 4.527 0.079 0.000 0.317 490 F C -0.082 175.745 175.800 0.046 0.000 1.108 490 F CA -0.898 57.121 58.000 0.033 0.000 0.957 490 F CB 0.843 39.858 39.000 0.025 0.000 1.365 490 F HN 0.219 nan 8.300 nan 0.000 0.475 491 G N 0.059 108.995 108.800 0.227 0.000 2.537 491 G HA2 0.716 4.706 3.960 0.049 0.000 0.308 491 G HA3 0.716 4.706 3.960 0.049 0.000 0.308 491 G C -1.515 173.527 174.900 0.237 0.000 1.237 491 G CA -0.671 44.508 45.100 0.132 0.000 0.968 491 G HN 1.464 nan 8.290 nan 0.000 0.481 492 V N -1.603 118.400 119.914 0.149 0.000 3.102 492 V HA 0.942 5.091 4.120 0.049 0.000 0.312 492 V C -0.465 175.659 176.094 0.050 0.000 1.135 492 V CA -1.341 61.040 62.300 0.135 0.000 1.022 492 V CB 1.854 33.776 31.823 0.165 0.000 1.056 492 V HN 1.188 nan 8.190 nan 0.000 0.436 493 R N 1.795 122.332 120.500 0.061 0.000 2.832 493 R HA 0.786 5.155 4.340 0.049 0.000 0.271 493 R C -0.746 175.563 176.300 0.014 0.000 0.996 493 R CA -0.880 55.244 56.100 0.040 0.000 0.977 493 R CB 2.056 32.410 30.300 0.089 0.000 1.168 493 R HN 0.697 nan 8.270 nan 0.000 0.482 494 L N -0.133 121.059 121.223 -0.052 0.000 2.624 494 L HA 0.374 4.744 4.340 0.049 0.000 0.222 494 L C -0.043 176.598 176.870 -0.382 0.000 1.046 494 L CA -0.184 54.556 54.840 -0.166 0.000 0.872 494 L CB 0.210 42.009 42.059 -0.433 0.000 1.190 494 L HN 0.445 nan 8.230 nan 0.000 0.487 495 F N 1.833 121.691 119.950 -0.152 0.000 2.371 495 F HA 0.337 4.883 4.527 0.031 0.000 0.329 495 F C -1.909 173.704 175.800 -0.312 0.000 1.107 495 F CA -2.453 55.412 58.000 -0.225 0.000 1.137 495 F CB 0.055 38.977 39.000 -0.131 0.000 1.214 495 F HN -0.227 nan 8.300 nan 0.000 0.536 496 P HA 0.223 nan 4.420 nan 0.000 0.278 496 P C -0.620 176.513 177.300 -0.279 0.000 1.238 496 P CA 0.002 63.043 63.100 -0.098 0.000 0.794 496 P CB 1.049 32.646 31.700 -0.172 0.000 0.955 497 I N 3.966 124.351 120.570 -0.308 0.000 2.304 497 I HA 0.322 4.521 4.170 0.049 0.000 0.291 497 I C 0.367 176.322 176.117 -0.271 0.000 1.018 497 I CA -0.376 60.607 61.300 -0.529 0.000 1.260 497 I CB 0.337 37.878 38.000 -0.765 0.000 1.390 497 I HN 0.122 nan 8.210 nan 0.000 0.475 498 I N 7.408 127.884 120.570 -0.157 0.000 2.468 498 I HA 0.348 4.548 4.170 0.049 0.000 0.284 498 I C -0.865 175.284 176.117 0.053 0.000 1.038 498 I CA -0.626 60.641 61.300 -0.054 0.000 1.083 498 I CB 1.840 39.806 38.000 -0.058 0.000 1.223 498 I HN 0.150 nan 8.210 nan 0.000 0.443 499 V N 7.239 127.207 119.914 0.090 0.000 2.409 499 V HA 0.454 4.603 4.120 0.049 0.000 0.290 499 V C -0.167 176.008 176.094 0.134 0.000 1.017 499 V CA -0.492 61.916 62.300 0.181 0.000 0.841 499 V CB 1.759 33.743 31.823 0.268 0.000 1.003 499 V HN 0.477 nan 8.190 nan 0.000 0.426 500 L N 4.755 126.060 121.223 0.137 0.000 2.295 500 L HA 0.592 4.961 4.340 0.049 0.000 0.285 500 L C 0.245 177.183 176.870 0.113 0.000 1.035 500 L CA -0.707 54.193 54.840 0.100 0.000 0.806 500 L CB 1.445 43.558 42.059 0.090 0.000 1.214 500 L HN 0.707 nan 8.230 nan 0.000 0.426 501 D N 0.239 120.687 120.400 0.080 0.000 2.414 501 D HA 0.024 4.694 4.640 0.049 0.000 0.251 501 D C 1.152 177.491 176.300 0.065 0.000 1.252 501 D CA -0.052 53.995 54.000 0.078 0.000 0.999 501 D CB 0.710 41.542 40.800 0.053 0.000 1.093 501 D HN 0.660 nan 8.370 nan 0.000 0.515 502 T N -2.431 112.155 114.554 0.053 0.000 2.951 502 T HA -0.086 4.294 4.350 0.049 0.000 0.268 502 T C 1.912 176.621 174.700 0.015 0.000 1.073 502 T CA 1.052 63.178 62.100 0.044 0.000 1.134 502 T CB -0.670 68.212 68.868 0.024 0.000 0.884 502 T HN 0.230 nan 8.240 nan 0.000 0.479 503 V N 0.895 120.813 119.914 0.006 0.000 2.358 503 V HA -0.139 4.010 4.120 0.049 0.000 0.246 503 V C 3.080 179.170 176.094 -0.007 0.000 1.047 503 V CA 1.429 63.725 62.300 -0.006 0.000 1.035 503 V CB -1.005 30.814 31.823 -0.006 0.000 0.658 503 V HN 0.792 nan 8.190 nan 0.000 0.452 504 C N 0.571 119.869 119.300 -0.003 0.000 2.462 504 C HA -0.002 4.487 4.460 0.049 0.000 0.278 504 C C 2.731 177.712 174.990 -0.015 0.000 1.253 504 C CA 1.155 60.160 59.018 -0.021 0.000 1.713 504 C CB -0.950 26.776 27.740 -0.024 0.000 2.049 504 C HN 0.542 nan 8.230 nan 0.000 0.477 505 A N -1.183 121.650 122.820 0.020 0.000 2.348 505 A HA 0.410 4.760 4.320 0.049 0.000 0.224 505 A C 1.235 178.851 177.584 0.054 0.000 1.227 505 A CA 1.521 53.584 52.037 0.044 0.000 0.885 505 A CB -0.407 18.642 19.000 0.081 0.000 0.933 505 A HN 1.026 nan 8.150 nan 0.000 0.506 506 S N -0.505 115.215 115.700 0.034 0.000 4.059 506 S HA -0.342 4.158 4.470 0.049 0.000 0.624 506 S C 1.808 176.439 174.600 0.051 0.000 2.019 506 S CA 3.098 61.308 58.200 0.016 0.000 4.197 506 S CB -1.672 61.531 63.200 0.006 0.000 0.215 506 S HN 1.863 nan 8.310 nan 0.000 0.609 507 S N 1.166 116.897 115.700 0.052 0.000 2.481 507 S HA 0.335 4.835 4.470 0.049 0.000 0.231 507 S C 1.963 176.759 174.600 0.326 0.000 0.996 507 S CA 1.365 59.645 58.200 0.132 0.000 0.942 507 S CB -0.260 62.985 63.200 0.076 0.000 0.768 507 S HN 2.521 nan 8.310 nan 0.000 0.520 508 G N 1.181 110.101 108.800 0.200 0.000 2.157 508 G HA2 -0.273 3.716 3.960 0.049 0.000 0.248 508 G HA3 -0.273 3.716 3.960 0.049 0.000 0.248 508 G C 0.199 175.187 174.900 0.146 0.000 0.979 508 G CA 0.269 45.475 45.100 0.176 0.000 0.650 508 G HN 1.455 nan 8.290 nan 0.000 0.529 509 S N -0.280 115.504 115.700 0.140 0.000 2.576 509 S HA 0.515 5.014 4.470 0.049 0.000 0.272 509 S C 1.784 176.438 174.600 0.090 0.000 1.352 509 S CA 0.038 58.305 58.200 0.113 0.000 1.021 509 S CB 1.080 64.338 63.200 0.097 0.000 0.887 509 S HN 0.482 nan 8.310 nan 0.000 0.542 510 L N 0.510 121.781 121.223 0.079 0.000 2.042 510 L HA -0.159 4.211 4.340 0.049 0.000 0.210 510 L C 2.250 179.158 176.870 0.064 0.000 1.076 510 L CA 1.692 56.573 54.840 0.068 0.000 0.749 510 L CB -0.821 41.272 42.059 0.057 0.000 0.893 510 L HN 0.659 nan 8.230 nan 0.000 0.432 511 D N 0.007 120.441 120.400 0.056 0.000 2.123 511 D HA -0.186 4.484 4.640 0.049 0.000 0.196 511 D C 1.830 178.158 176.300 0.048 0.000 0.992 511 D CA 1.221 55.249 54.000 0.046 0.000 0.833 511 D CB -0.229 40.593 40.800 0.037 0.000 0.954 511 D HN 0.273 nan 8.370 nan 0.000 0.455 512 D N -0.156 120.277 120.400 0.054 0.000 2.144 512 D HA -0.065 4.605 4.640 0.049 0.000 0.199 512 D C 2.251 178.585 176.300 0.056 0.000 0.984 512 D CA 0.358 54.387 54.000 0.049 0.000 0.834 512 D CB -0.142 40.693 40.800 0.058 0.000 0.955 512 D HN 0.251 nan 8.370 nan 0.000 0.465 513 L N 0.284 121.557 121.223 0.084 0.000 2.156 513 L HA -0.009 4.361 4.340 0.049 0.000 0.208 513 L C 2.397 179.360 176.870 0.155 0.000 1.095 513 L CA 0.750 55.666 54.840 0.128 0.000 0.770 513 L CB -0.377 41.767 42.059 0.142 0.000 0.914 513 L HN -0.045 nan 8.230 nan 0.000 0.439 514 A N 0.216 123.101 122.820 0.108 0.000 2.070 514 A HA -0.175 4.175 4.320 0.049 0.000 0.220 514 A C 2.343 179.965 177.584 0.064 0.000 1.159 514 A CA 1.229 53.327 52.037 0.100 0.000 0.656 514 A CB -0.402 18.637 19.000 0.065 0.000 0.800 514 A HN 0.312 nan 8.150 nan 0.000 0.453 515 R N -0.999 119.519 120.500 0.029 0.000 2.153 515 R HA 0.010 4.380 4.340 0.049 0.000 0.218 515 R C 1.801 178.057 176.300 -0.074 0.000 1.072 515 R CA 1.129 57.222 56.100 -0.012 0.000 0.990 515 R CB -0.172 30.120 30.300 -0.013 0.000 0.889 515 R HN 0.395 nan 8.270 nan 0.000 0.452 516 V N -0.299 119.540 119.914 -0.125 0.000 2.488 516 V HA -0.075 4.075 4.120 0.049 0.000 0.246 516 V C 0.444 176.184 176.094 -0.590 0.000 1.046 516 V CA 1.266 63.335 62.300 -0.385 0.000 1.053 516 V CB -0.134 31.383 31.823 -0.509 0.000 0.679 516 V HN 0.106 nan 8.190 nan 0.000 0.458 517 F N 1.159 121.093 119.950 -0.027 0.000 2.371 517 F HA 0.398 4.955 4.527 0.050 0.000 0.343 517 F C -1.507 174.276 175.800 -0.028 0.000 1.150 517 F CA -1.986 55.992 58.000 -0.036 0.000 1.220 517 F CB 0.864 39.838 39.000 -0.044 0.000 1.475 517 F HN 0.054 nan 8.300 nan 0.000 0.521 518 P HA -0.066 nan 4.420 nan 0.000 0.223 518 P C 0.471 177.803 177.300 0.054 0.000 1.151 518 P CA 1.079 64.210 63.100 0.052 0.000 0.787 518 P CB 0.142 31.852 31.700 0.016 0.000 0.788 519 T N -4.008 110.586 114.554 0.066 0.000 3.504 519 T HA 0.305 4.685 4.350 0.049 0.000 0.286 519 T C -2.118 172.605 174.700 0.039 0.000 1.530 519 T CA -1.873 60.253 62.100 0.044 0.000 1.652 519 T CB 1.083 69.970 68.868 0.032 0.000 0.895 519 T HN -0.052 nan 8.240 nan 0.000 0.674 520 P HA -0.142 nan 4.420 nan 0.000 0.222 520 P C 1.419 178.658 177.300 -0.102 0.000 1.147 520 P CA 1.056 64.140 63.100 -0.025 0.000 0.790 520 P CB 0.274 31.941 31.700 -0.054 0.000 0.780 521 E N 1.214 121.378 120.200 -0.059 0.000 2.409 521 E HA -0.143 4.236 4.350 0.049 0.000 0.198 521 E C 0.946 177.471 176.600 -0.126 0.000 1.024 521 E CA 0.882 57.248 56.400 -0.056 0.000 0.861 521 E CB -0.603 29.106 29.700 0.015 0.000 0.788 521 E HN 0.371 nan 8.360 nan 0.000 0.521 522 K N 0.804 121.117 120.400 -0.145 0.000 2.399 522 K HA 0.258 4.608 4.320 0.049 0.000 0.204 522 K C -0.392 176.027 176.600 -0.302 0.000 1.023 522 K CA -0.101 56.102 56.287 -0.141 0.000 1.127 522 K CB 1.449 33.950 32.500 0.002 0.000 0.856 522 K HN -0.110 nan 8.250 nan 0.000 0.514 523 V N 2.752 122.387 119.914 -0.464 0.000 2.350 523 V HA 0.179 4.329 4.120 0.049 0.000 0.285 523 V C -0.603 175.200 176.094 -0.485 0.000 1.014 523 V CA -0.840 61.268 62.300 -0.320 0.000 0.831 523 V CB 0.959 32.721 31.823 -0.102 0.000 1.000 523 V HN 0.275 nan 8.190 nan 0.000 0.433 524 H N 5.771 124.836 119.070 -0.009 0.000 2.725 524 H HA 0.483 5.068 4.556 0.049 0.000 0.283 524 H C -0.564 174.700 175.328 -0.107 0.000 1.110 524 H CA -0.357 55.673 56.048 -0.029 0.000 1.289 524 H CB 1.590 31.358 29.762 0.010 0.000 1.400 524 H HN 0.489 nan 8.280 nan 0.000 0.493 525 I N 2.819 123.362 120.570 -0.046 0.000 2.307 525 I HA 0.005 4.205 4.170 0.049 0.000 0.289 525 I C 0.600 176.621 176.117 -0.161 0.000 1.021 525 I CA -0.541 60.684 61.300 -0.126 0.000 1.224 525 I CB 0.940 38.867 38.000 -0.122 0.000 1.376 525 I HN 0.456 nan 8.210 nan 0.000 0.470 526 D N 4.580 124.778 120.400 -0.337 0.000 2.423 526 D HA -0.062 4.607 4.640 0.049 0.000 0.238 526 D C 1.438 177.645 176.300 -0.155 0.000 1.142 526 D CA 0.003 53.812 54.000 -0.318 0.000 0.884 526 D CB 0.974 41.412 40.800 -0.602 0.000 1.199 526 D HN 0.622 nan 8.370 nan 0.000 0.438 527 Q N 1.606 121.335 119.800 -0.118 0.000 2.297 527 Q HA -0.244 4.125 4.340 0.049 0.000 0.208 527 Q C 0.568 176.405 176.000 -0.273 0.000 0.981 527 Q CA 1.556 57.259 55.803 -0.167 0.000 0.876 527 Q CB -0.302 28.336 28.738 -0.167 0.000 0.921 527 Q HN 0.671 nan 8.270 nan 0.000 0.446 528 H N -0.157 118.871 119.070 -0.070 0.000 2.551 528 H HA 0.313 4.894 4.556 0.042 0.000 0.271 528 H C 0.030 175.208 175.328 -0.249 0.000 0.984 528 H CA -0.063 55.853 56.048 -0.220 0.000 1.164 528 H CB 0.729 30.361 29.762 -0.216 0.000 1.437 528 H HN 0.105 nan 8.280 nan 0.000 0.550 529 S N 0.265 115.940 115.700 -0.041 0.000 2.632 529 S HA 0.317 4.817 4.470 0.049 0.000 0.267 529 S C 0.336 174.912 174.600 -0.039 0.000 1.276 529 S CA -0.454 57.704 58.200 -0.071 0.000 0.998 529 S CB 1.270 64.400 63.200 -0.118 0.000 0.953 529 S HN 0.197 nan 8.310 nan 0.000 0.547 530 T N 2.276 116.711 114.554 -0.198 0.000 2.840 530 T HA 0.468 4.848 4.350 0.049 0.000 0.287 530 T C -1.296 173.206 174.700 -0.330 0.000 0.991 530 T CA -0.404 61.474 62.100 -0.370 0.000 0.964 530 T CB 0.886 69.197 68.868 -0.928 0.000 0.954 530 T HN 0.323 nan 8.240 nan 0.000 0.438 531 L N 5.703 126.789 121.223 -0.229 0.000 2.343 531 L HA 0.635 5.005 4.340 0.049 0.000 0.278 531 L C -1.419 175.393 176.870 -0.096 0.000 0.996 531 L CA -0.701 54.058 54.840 -0.135 0.000 0.831 531 L CB 0.673 42.698 42.059 -0.057 0.000 1.232 531 L HN 0.488 nan 8.230 nan 0.000 0.413 532 I N 6.429 126.950 120.570 -0.082 0.000 2.378 532 I HA 0.493 4.692 4.170 0.049 0.000 0.291 532 I C -0.480 175.636 176.117 -0.001 0.000 0.992 532 I CA -0.658 60.631 61.300 -0.017 0.000 1.154 532 I CB 1.724 39.728 38.000 0.007 0.000 1.315 532 I HN 0.239 nan 8.210 nan 0.000 0.448 533 V N 6.344 126.267 119.914 0.015 0.000 2.531 533 V HA 0.475 4.625 4.120 0.049 0.000 0.301 533 V C -0.272 175.827 176.094 0.010 0.000 1.034 533 V CA -0.692 61.605 62.300 -0.006 0.000 0.865 533 V CB 2.224 34.026 31.823 -0.036 0.000 0.995 533 V HN 0.687 nan 8.190 nan 0.000 0.424 534 E N 2.617 122.820 120.200 0.006 0.000 2.234 534 E HA 0.715 5.095 4.350 0.049 0.000 0.266 534 E C 0.302 176.907 176.600 0.008 0.000 0.877 534 E CA -0.088 56.322 56.400 0.016 0.000 0.758 534 E CB 2.336 32.053 29.700 0.028 0.000 1.170 534 E HN 1.130 nan 8.360 nan 0.000 0.415 535 G N 2.156 110.959 108.800 0.006 0.000 2.660 535 G HA2 -0.237 3.752 3.960 0.049 0.000 0.215 535 G HA3 -0.237 3.752 3.960 0.049 0.000 0.215 535 G C -0.667 174.228 174.900 -0.009 0.000 1.345 535 G CA -0.948 44.155 45.100 0.004 0.000 0.877 535 G HN 0.419 nan 8.290 nan 0.000 0.549 536 R N 0.128 120.627 120.500 -0.001 0.000 2.441 536 R HA 0.391 4.760 4.340 0.049 0.000 0.300 536 R C -0.207 176.084 176.300 -0.016 0.000 1.284 536 R CA 0.097 56.190 56.100 -0.010 0.000 1.069 536 R CB -0.026 30.275 30.300 0.001 0.000 1.087 536 R HN 0.502 nan 8.270 nan 0.000 0.519 537 V N 5.339 125.213 119.914 -0.067 0.000 2.709 537 V HA 0.506 4.656 4.120 0.049 0.000 0.308 537 V C 0.152 176.139 176.094 -0.178 0.000 1.062 537 V CA -0.787 61.437 62.300 -0.127 0.000 0.901 537 V CB 2.711 34.430 31.823 -0.174 0.000 1.003 537 V HN 0.483 nan 8.190 nan 0.000 0.425 538 I N 5.063 125.524 120.570 -0.181 0.000 2.436 538 I HA 0.517 4.717 4.170 0.049 0.000 0.289 538 I C -0.819 175.160 176.117 -0.230 0.000 1.010 538 I CA -0.432 60.747 61.300 -0.203 0.000 1.098 538 I CB 2.018 39.950 38.000 -0.113 0.000 1.266 538 I HN 0.445 nan 8.210 nan 0.000 0.434 539 I N 6.215 126.596 120.570 -0.316 0.000 2.359 539 I HA 0.241 4.441 4.170 0.049 0.000 0.284 539 I C 0.904 176.980 176.117 -0.068 0.000 1.018 539 I CA -0.127 61.049 61.300 -0.206 0.000 1.173 539 I CB 1.154 39.018 38.000 -0.227 0.000 1.326 539 I HN 0.673 nan 8.210 nan 0.000 0.462 540 E N 3.245 123.428 120.200 -0.027 0.000 2.102 540 E HA 0.011 4.390 4.350 0.049 0.000 0.190 540 E C 0.194 176.816 176.600 0.036 0.000 0.971 540 E CA 0.616 57.024 56.400 0.014 0.000 0.821 540 E CB 0.362 30.066 29.700 0.007 0.000 0.777 540 E HN 0.678 nan 8.360 nan 0.000 0.460 541 S N 0.224 115.943 115.700 0.031 0.000 2.543 541 S HA 0.615 5.115 4.470 0.049 0.000 0.271 541 S C -1.148 173.478 174.600 0.044 0.000 1.148 541 S CA -1.051 57.171 58.200 0.037 0.000 0.914 541 S CB 2.175 65.401 63.200 0.044 0.000 1.096 541 S HN 0.096 nan 8.310 nan 0.000 0.471 542 L N 0.665 121.919 121.223 0.052 0.000 2.592 542 L HA 0.663 5.032 4.340 0.049 0.000 0.258 542 L C -1.570 175.357 176.870 0.096 0.000 0.926 542 L CA -0.186 54.691 54.840 0.062 0.000 0.885 542 L CB 2.057 44.147 42.059 0.052 0.000 1.380 542 L HN 0.993 nan 8.230 nan 0.000 0.415 543 E N 3.892 124.160 120.200 0.113 0.000 2.182 543 E HA 0.540 4.920 4.350 0.049 0.000 0.258 543 E C -1.952 174.715 176.600 0.112 0.000 0.879 543 E CA -0.747 55.744 56.400 0.151 0.000 0.754 543 E CB 1.560 31.377 29.700 0.196 0.000 1.162 543 E HN 0.616 nan 8.360 nan 0.000 0.419 544 L N 5.656 126.888 121.223 0.015 0.000 2.343 544 L HA 0.411 4.781 4.340 0.049 0.000 0.278 544 L C -2.029 174.745 176.870 -0.159 0.000 0.996 544 L CA -0.486 54.341 54.840 -0.023 0.000 0.831 544 L CB 0.899 42.928 42.059 -0.050 0.000 1.232 544 L HN 0.519 nan 8.230 nan 0.000 0.413 545 Y N 5.365 125.672 120.300 0.011 0.000 2.748 545 Y HA 0.734 5.312 4.550 0.047 0.000 0.359 545 Y C 0.687 176.579 175.900 -0.013 0.000 1.030 545 Y CA 0.208 58.313 58.100 0.008 0.000 1.169 545 Y CB 1.248 39.715 38.460 0.011 0.000 1.127 545 Y HN 0.852 nan 8.280 nan 0.000 0.644 546 G N 0.582 109.412 108.800 0.051 0.000 2.334 546 G HA2 0.442 4.432 3.960 0.049 0.000 0.249 546 G HA3 0.442 4.432 3.960 0.049 0.000 0.249 546 G C -1.781 173.062 174.900 -0.094 0.000 1.327 546 G CA -0.329 44.773 45.100 0.002 0.000 0.979 546 G HN 0.552 nan 8.290 nan 0.000 0.471 547 A N -0.778 121.967 122.820 -0.124 0.000 2.342 547 A HA 0.908 5.258 4.320 0.049 0.000 0.323 547 A C -1.083 176.413 177.584 -0.147 0.000 1.125 547 A CA -0.450 51.422 52.037 -0.274 0.000 0.785 547 A CB 1.699 20.392 19.000 -0.513 0.000 1.221 547 A HN 2.122 nan 8.150 nan 0.000 0.463 548 L N 1.521 122.646 121.223 -0.163 0.000 2.493 548 L HA 0.684 5.054 4.340 0.049 0.000 0.265 548 L C -0.720 176.108 176.870 -0.069 0.000 0.954 548 L CA 0.261 55.056 54.840 -0.074 0.000 0.844 548 L CB 2.384 44.413 42.059 -0.049 0.000 1.302 548 L HN 0.590 nan 8.230 nan 0.000 0.405 549 T N 6.262 120.805 114.554 -0.018 0.000 2.779 549 T HA 0.669 5.048 4.350 0.049 0.000 0.280 549 T C -0.277 174.428 174.700 0.009 0.000 0.987 549 T CA -0.076 62.025 62.100 0.002 0.000 0.966 549 T CB 0.771 69.663 68.868 0.041 0.000 0.933 549 T HN 0.441 nan 8.240 nan 0.000 0.442 550 I N 3.684 124.249 120.570 -0.009 0.000 2.389 550 I HA 0.463 4.662 4.170 0.049 0.000 0.288 550 I C 0.226 176.344 176.117 0.002 0.000 0.999 550 I CA -0.851 60.436 61.300 -0.021 0.000 1.129 550 I CB 1.449 39.383 38.000 -0.109 0.000 1.288 550 I HN 0.316 nan 8.210 nan 0.000 0.444 551 R N 4.254 124.793 120.500 0.064 0.000 2.514 551 R HA 0.731 5.100 4.340 0.049 0.000 0.301 551 R C -0.046 176.339 176.300 0.141 0.000 0.962 551 R CA -0.681 55.464 56.100 0.075 0.000 0.882 551 R CB 2.327 32.668 30.300 0.068 0.000 1.143 551 R HN 0.794 nan 8.270 nan 0.000 0.452 552 G N 2.126 110.979 108.800 0.088 0.000 3.013 552 G HA2 0.515 4.504 3.960 0.049 0.000 0.278 552 G HA3 0.515 4.504 3.960 0.049 0.000 0.278 552 G C -2.701 172.230 174.900 0.051 0.000 1.353 552 G CA -1.664 43.498 45.100 0.103 0.000 1.043 552 G HN 0.237 nan 8.290 nan 0.000 0.523 553 P HA 0.084 nan 4.420 nan 0.000 0.263 553 P C 1.272 178.579 177.300 0.011 0.000 1.195 553 P CA 0.258 63.368 63.100 0.017 0.000 0.762 553 P CB 0.842 32.549 31.700 0.011 0.000 0.799 554 T N -0.526 114.032 114.554 0.007 0.000 2.803 554 T HA -0.184 4.196 4.350 0.049 0.000 0.269 554 T C 0.721 175.419 174.700 -0.003 0.000 1.052 554 T CA 0.756 62.857 62.100 0.002 0.000 1.136 554 T CB -0.710 68.159 68.868 0.001 0.000 0.864 554 T HN 0.321 nan 8.240 nan 0.000 0.467 555 D N 2.199 122.597 120.400 -0.003 0.000 2.412 555 D HA 0.115 4.785 4.640 0.049 0.000 0.257 555 D C 1.355 177.650 176.300 -0.007 0.000 1.217 555 D CA 0.365 54.361 54.000 -0.006 0.000 0.897 555 D CB 0.958 41.755 40.800 -0.005 0.000 1.132 555 D HN 0.382 nan 8.370 nan 0.000 0.493 556 S N 2.997 118.690 115.700 -0.012 0.000 2.474 556 S HA -0.165 4.335 4.470 0.049 0.000 0.235 556 S C 1.308 175.900 174.600 -0.013 0.000 0.997 556 S CA 0.452 58.644 58.200 -0.014 0.000 0.949 556 S CB -0.170 63.018 63.200 -0.020 0.000 0.766 556 S HN 0.509 nan 8.310 nan 0.000 0.517 557 M N 1.362 120.956 119.600 -0.011 0.000 2.475 557 M HA 0.518 5.027 4.480 0.049 0.000 0.261 557 M C 0.521 176.817 176.300 -0.007 0.000 1.177 557 M CA -0.216 55.078 55.300 -0.009 0.000 0.979 557 M CB 0.264 32.858 32.600 -0.010 0.000 1.482 557 M HN 0.346 nan 8.290 nan 0.000 0.484 558 A N 0.326 123.143 122.820 -0.005 0.000 2.252 558 A HA 0.725 5.075 4.320 0.049 0.000 0.305 558 A C -0.189 177.395 177.584 -0.001 0.000 1.097 558 A CA -0.722 51.313 52.037 -0.003 0.000 0.849 558 A CB 0.476 19.475 19.000 -0.001 0.000 1.142 558 A HN 0.371 nan 8.150 nan 0.000 0.499 559 L N 2.348 123.571 121.223 0.000 0.000 2.534 559 L HA 0.194 4.564 4.340 0.049 0.000 0.271 559 L C -1.696 175.183 176.870 0.014 0.000 1.178 559 L CA -1.137 53.705 54.840 0.004 0.000 0.907 559 L CB 0.044 42.103 42.059 0.001 0.000 1.164 559 L HN 0.517 nan 8.230 nan 0.000 0.482 560 P HA -0.004 nan 4.420 nan 0.000 0.275 560 P C -0.699 176.649 177.300 0.081 0.000 1.227 560 P CA -0.187 62.931 63.100 0.031 0.000 0.781 560 P CB 0.475 32.176 31.700 0.002 0.000 0.906 561 H N 2.166 121.218 119.070 -0.030 0.000 2.899 561 H HA 0.249 4.835 4.556 0.050 0.000 0.303 561 H C -0.736 174.570 175.328 -0.037 0.000 1.042 561 H CA -0.610 55.422 56.048 -0.028 0.000 1.479 561 H CB 0.405 30.152 29.762 -0.024 0.000 1.493 561 H HN 0.075 nan 8.280 nan 0.000 0.534 562 V N 6.675 126.739 119.914 0.250 0.000 2.435 562 V HA 0.158 4.308 4.120 0.049 0.000 0.290 562 V C -0.152 175.968 176.094 0.043 0.000 1.030 562 V CA -0.804 61.529 62.300 0.056 0.000 0.881 562 V CB 1.535 33.387 31.823 0.048 0.000 0.983 562 V HN 0.516 nan 8.190 nan 0.000 0.445 563 V N 6.374 126.239 119.914 -0.081 0.000 2.357 563 V HA 0.561 4.711 4.120 0.049 0.000 0.284 563 V C 0.038 176.124 176.094 -0.013 0.000 1.018 563 V CA -0.586 61.678 62.300 -0.059 0.000 0.841 563 V CB 1.339 33.078 31.823 -0.141 0.000 0.991 563 V HN 0.881 nan 8.190 nan 0.000 0.437 564 R N 3.250 123.763 120.500 0.021 0.000 2.686 564 R HA 0.487 4.857 4.340 0.049 0.000 0.286 564 R C 0.192 176.514 176.300 0.036 0.000 0.969 564 R CA -0.973 55.143 56.100 0.027 0.000 0.898 564 R CB 1.253 31.571 30.300 0.029 0.000 1.183 564 R HN 0.783 nan 8.270 nan 0.000 0.456 565 N N -0.258 118.467 118.700 0.041 0.000 2.708 565 N HA -0.255 4.515 4.740 0.049 0.000 0.249 565 N C -0.769 174.771 175.510 0.050 0.000 1.097 565 N CA 0.774 53.853 53.050 0.048 0.000 0.710 565 N CB -0.678 37.834 38.487 0.042 0.000 1.032 565 N HN 0.711 nan 8.380 nan 0.000 0.551 566 A N 0.045 122.894 122.820 0.049 0.000 2.401 566 A HA 0.575 4.924 4.320 0.049 0.000 0.259 566 A C 0.300 177.921 177.584 0.063 0.000 1.103 566 A CA -0.115 51.952 52.037 0.050 0.000 0.789 566 A CB 0.852 19.874 19.000 0.037 0.000 1.035 566 A HN 0.115 nan 8.150 nan 0.000 0.491 567 V N 3.550 123.501 119.914 0.062 0.000 2.447 567 V HA 0.424 4.573 4.120 0.049 0.000 0.292 567 V C -0.689 175.448 176.094 0.071 0.000 1.021 567 V CA -0.421 61.925 62.300 0.077 0.000 0.850 567 V CB 1.466 33.331 31.823 0.070 0.000 1.005 567 V HN 0.650 nan 8.190 nan 0.000 0.426 568 V N 6.053 126.019 119.914 0.086 0.000 2.483 568 V HA 0.620 4.769 4.120 0.049 0.000 0.297 568 V C -0.271 175.885 176.094 0.103 0.000 1.027 568 V CA -0.684 61.660 62.300 0.073 0.000 0.855 568 V CB 2.043 33.895 31.823 0.048 0.000 0.995 568 V HN 0.868 nan 8.190 nan 0.000 0.424 569 R N 4.235 124.784 120.500 0.082 0.000 2.532 569 R HA 0.707 5.077 4.340 0.049 0.000 0.297 569 R C -0.952 175.381 176.300 0.055 0.000 0.984 569 R CA -0.688 55.465 56.100 0.088 0.000 0.884 569 R CB 2.219 32.548 30.300 0.048 0.000 1.182 569 R HN 0.949 nan 8.270 nan 0.000 0.442 570 N N 0.354 119.088 118.700 0.057 0.000 3.277 570 N HA 0.246 5.016 4.740 0.049 0.000 0.278 570 N C -0.131 175.404 175.510 0.041 0.000 1.544 570 N CA -0.653 52.423 53.050 0.043 0.000 0.869 570 N CB 0.421 38.936 38.487 0.047 0.000 1.584 570 N HN 0.304 nan 8.380 nan 0.000 0.564 571 A N -0.706 122.140 122.820 0.043 0.000 2.067 571 A HA 0.423 4.772 4.320 0.049 0.000 0.219 571 A C 1.431 179.047 177.584 0.054 0.000 1.158 571 A CA 1.694 53.754 52.037 0.038 0.000 0.661 571 A CB -1.754 17.271 19.000 0.042 0.000 0.801 571 A HN 1.657 nan 8.150 nan 0.000 0.452 572 G N -2.109 106.743 108.800 0.086 0.000 2.569 572 G HA2 -0.222 3.767 3.960 0.049 0.000 0.259 572 G HA3 -0.222 3.767 3.960 0.049 0.000 0.259 572 G C -0.329 174.775 174.900 0.340 0.000 1.263 572 G CA 0.212 45.371 45.100 0.098 0.000 0.928 572 G HN 0.654 nan 8.290 nan 0.000 0.572 573 W N 0.628 121.930 121.300 0.002 0.000 2.736 573 W HA 0.795 5.481 4.660 0.043 0.000 0.355 573 W C 0.700 177.189 176.519 -0.049 0.000 1.102 573 W CA -0.324 57.065 57.345 0.074 0.000 1.164 573 W CB 1.430 31.059 29.460 0.283 0.000 1.422 573 W HN 1.269 nan 8.180 nan 0.000 0.572 574 S N -0.214 115.670 115.700 0.307 0.000 2.697 574 S HA 0.833 5.332 4.470 0.049 0.000 0.289 574 S C -1.487 173.337 174.600 0.373 0.000 1.149 574 S CA -0.917 57.404 58.200 0.202 0.000 0.850 574 S CB 1.993 65.255 63.200 0.103 0.000 1.151 574 S HN 0.486 nan 8.310 nan 0.000 0.491 575 V N 2.338 122.460 119.914 0.348 0.000 2.789 575 V HA 0.773 4.923 4.120 0.049 0.000 0.311 575 V C -1.573 174.669 176.094 0.246 0.000 1.073 575 V CA -0.369 62.089 62.300 0.262 0.000 0.921 575 V CB 1.694 33.607 31.823 0.151 0.000 1.009 575 V HN 1.280 nan 8.190 nan 0.000 0.426 576 H N 4.110 123.254 119.070 0.123 0.000 2.980 576 H HA 0.810 5.379 4.556 0.022 0.000 0.367 576 H C -0.494 174.915 175.328 0.135 0.000 1.206 576 H CA -0.403 55.704 56.048 0.098 0.000 1.126 576 H CB 1.753 31.556 29.762 0.068 0.000 1.838 576 H HN 0.884 nan 8.280 nan 0.000 0.552 577 A N 1.882 124.786 122.820 0.140 0.000 2.351 577 A HA 0.418 4.767 4.320 0.049 0.000 0.257 577 A C 0.322 177.937 177.584 0.053 0.000 1.087 577 A CA -0.659 51.432 52.037 0.089 0.000 0.798 577 A CB -0.123 18.928 19.000 0.085 0.000 1.033 577 A HN 0.588 nan 8.150 nan 0.000 0.488 578 I N 2.169 122.746 120.570 0.012 0.000 2.396 578 I HA 0.122 4.322 4.170 0.049 0.000 0.289 578 I C -0.081 176.052 176.117 0.027 0.000 1.056 578 I CA 0.151 61.454 61.300 0.005 0.000 1.365 578 I CB 0.494 38.474 38.000 -0.034 0.000 1.407 578 I HN 0.470 nan 8.210 nan 0.000 0.509 579 L N 5.362 126.614 121.223 0.049 0.000 2.418 579 L HA 0.227 4.597 4.340 0.049 0.000 0.265 579 L C 1.532 178.416 176.870 0.022 0.000 1.143 579 L CA -0.168 54.696 54.840 0.040 0.000 0.809 579 L CB 1.377 43.467 42.059 0.052 0.000 1.124 579 L HN 0.663 nan 8.230 nan 0.000 0.456 580 S N 1.911 117.621 115.700 0.016 0.000 2.370 580 S HA -0.110 4.390 4.470 0.049 0.000 0.226 580 S C 0.916 175.523 174.600 0.012 0.000 1.033 580 S CA 1.146 59.353 58.200 0.011 0.000 1.011 580 S CB -0.229 62.977 63.200 0.009 0.000 0.852 580 S HN 0.342 nan 8.310 nan 0.000 0.457 581 L N 2.817 124.050 121.223 0.016 0.000 2.437 581 L HA 0.176 4.545 4.340 0.049 0.000 0.243 581 L C 0.086 176.966 176.870 0.017 0.000 1.346 581 L CA -0.139 54.709 54.840 0.015 0.000 1.233 581 L CB -0.884 41.184 42.059 0.014 0.000 1.436 581 L HN 0.418 nan 8.230 nan 0.000 0.416 582 C N -1.739 117.570 119.300 0.015 0.000 2.319 582 C HA 0.799 5.289 4.460 0.049 0.000 0.323 582 C C 1.661 176.657 174.990 0.011 0.000 1.277 582 C CA -0.727 58.301 59.018 0.016 0.000 1.517 582 C CB 0.687 28.437 27.740 0.017 0.000 2.206 582 C HN 0.672 nan 8.230 nan 0.000 0.486 583 A N 3.027 125.853 122.820 0.011 0.000 1.972 583 A HA 0.353 4.702 4.320 0.049 0.000 0.219 583 A C 2.323 179.911 177.584 0.006 0.000 1.169 583 A CA 2.047 54.089 52.037 0.008 0.000 0.635 583 A CB -1.211 17.793 19.000 0.007 0.000 0.810 583 A HN 2.733 nan 8.150 nan 0.000 0.446 584 G N -1.934 106.869 108.800 0.006 0.000 2.189 584 G HA2 -0.312 3.677 3.960 0.049 0.000 0.267 584 G HA3 -0.312 3.677 3.960 0.049 0.000 0.267 584 G C 0.497 175.399 174.900 0.002 0.000 0.975 584 G CA 0.608 45.710 45.100 0.003 0.000 0.644 584 G HN 0.699 nan 8.290 nan 0.000 0.537 585 R N 0.843 121.345 120.500 0.004 0.000 2.312 585 R HA 0.444 4.814 4.340 0.049 0.000 0.311 585 R C 0.446 176.748 176.300 0.003 0.000 1.004 585 R CA 0.322 56.424 56.100 0.003 0.000 0.902 585 R CB 0.263 30.564 30.300 0.003 0.000 1.073 585 R HN 0.123 nan 8.270 nan 0.000 0.457 586 D N 0.607 121.008 120.400 0.002 0.000 2.983 586 D HA -0.176 4.493 4.640 0.049 0.000 0.225 586 D C -0.678 175.624 176.300 0.003 0.000 1.174 586 D CA 1.733 55.734 54.000 0.002 0.000 0.831 586 D CB -0.930 39.872 40.800 0.003 0.000 1.104 586 D HN 0.568 nan 8.370 nan 0.000 0.421 587 S N -1.109 114.593 115.700 0.003 0.000 2.437 587 S HA 0.550 5.050 4.470 0.049 0.000 0.305 587 S C 0.621 175.220 174.600 -0.001 0.000 1.109 587 S CA -0.919 57.283 58.200 0.004 0.000 1.099 587 S CB 2.052 65.256 63.200 0.006 0.000 1.004 587 S HN 0.138 nan 8.310 nan 0.000 0.475 588 R N 1.906 122.405 120.500 -0.002 0.000 2.404 588 R HA 0.234 4.604 4.340 0.049 0.000 0.236 588 R C -0.331 175.961 176.300 -0.013 0.000 1.044 588 R CA -0.048 56.047 56.100 -0.007 0.000 1.133 588 R CB -0.482 29.812 30.300 -0.009 0.000 1.142 588 R HN 0.594 nan 8.270 nan 0.000 0.512 589 L N 1.964 123.180 121.223 -0.012 0.000 2.433 589 L HA 0.049 4.419 4.340 0.049 0.000 0.275 589 L C 0.689 177.548 176.870 -0.017 0.000 1.128 589 L CA -0.039 54.789 54.840 -0.021 0.000 0.875 589 L CB 0.633 42.681 42.059 -0.019 0.000 1.171 589 L HN 0.215 nan 8.230 nan 0.000 0.463 590 S N 1.194 116.882 115.700 -0.020 0.000 2.745 590 S HA 0.305 4.805 4.470 0.049 0.000 0.292 590 S C 0.792 175.395 174.600 0.004 0.000 1.133 590 S CA -0.926 57.273 58.200 -0.003 0.000 0.998 590 S CB 1.515 64.718 63.200 0.006 0.000 1.087 590 S HN 0.628 nan 8.310 nan 0.000 0.551 591 E N 0.001 120.226 120.200 0.042 0.000 2.118 591 E HA -0.134 4.246 4.350 0.049 0.000 0.195 591 E C 1.903 178.541 176.600 0.062 0.000 0.992 591 E CA 1.308 57.757 56.400 0.081 0.000 0.804 591 E CB -0.485 29.312 29.700 0.163 0.000 0.741 591 E HN 0.461 nan 8.360 nan 0.000 0.458 592 V N 2.070 122.020 119.914 0.060 0.000 2.332 592 V HA -0.284 3.865 4.120 0.049 0.000 0.248 592 V C 1.752 177.757 176.094 -0.149 0.000 1.055 592 V CA 2.021 64.279 62.300 -0.070 0.000 1.038 592 V CB -0.428 31.359 31.823 -0.059 0.000 0.651 592 V HN 0.258 nan 8.190 nan 0.000 0.450 593 D N -0.183 120.142 120.400 -0.125 0.000 2.084 593 D HA -0.125 4.544 4.640 0.049 0.000 0.196 593 D C 2.379 178.560 176.300 -0.199 0.000 0.985 593 D CA 1.176 55.065 54.000 -0.186 0.000 0.826 593 D CB -0.292 40.430 40.800 -0.129 0.000 0.978 593 D HN 0.392 nan 8.370 nan 0.000 0.456 594 R N 0.776 121.207 120.500 -0.115 0.000 2.120 594 R HA -0.063 4.306 4.340 0.049 0.000 0.234 594 R C 2.548 178.786 176.300 -0.103 0.000 1.123 594 R CA 0.805 56.849 56.100 -0.092 0.000 0.975 594 R CB -0.439 29.835 30.300 -0.042 0.000 0.866 594 R HN 0.384 nan 8.270 nan 0.000 0.446 595 I N -0.427 120.079 120.570 -0.108 0.000 3.111 595 I HA -0.094 4.105 4.170 0.049 0.000 0.272 595 I C 2.013 178.042 176.117 -0.147 0.000 1.268 595 I CA 1.000 62.242 61.300 -0.096 0.000 1.467 595 I CB -0.169 37.780 38.000 -0.084 0.000 1.087 595 I HN 0.058 nan 8.210 nan 0.000 0.467 596 R N 1.530 121.868 120.500 -0.269 0.000 2.307 596 R HA 0.343 4.712 4.340 0.049 0.000 0.200 596 R C 1.547 177.617 176.300 -0.383 0.000 0.893 596 R CA 0.775 56.642 56.100 -0.388 0.000 1.042 596 R CB 0.018 29.889 30.300 -0.715 0.000 1.059 596 R HN 0.336 nan 8.270 nan 0.000 0.530 597 G N 1.283 109.896 108.800 -0.310 0.000 2.159 597 G HA2 -0.292 3.698 3.960 0.049 0.000 0.256 597 G HA3 -0.292 3.698 3.960 0.049 0.000 0.256 597 G C -0.082 174.780 174.900 -0.062 0.000 0.977 597 G CA 0.702 45.711 45.100 -0.151 0.000 0.652 597 G HN 0.519 nan 8.290 nan 0.000 0.531 598 F N -1.510 118.388 119.950 -0.087 0.000 2.692 598 F HA 0.858 5.412 4.527 0.044 0.000 0.320 598 F C -0.429 175.280 175.800 -0.151 0.000 1.123 598 F CA -1.645 56.282 58.000 -0.121 0.000 0.961 598 F CB 1.441 40.398 39.000 -0.072 0.000 1.383 598 F HN 0.697 nan 8.300 nan 0.000 0.483 599 V N -0.112 119.866 119.914 0.107 0.000 2.733 599 V HA 0.596 4.745 4.120 0.049 0.000 0.306 599 V C -0.986 175.150 176.094 0.070 0.000 1.084 599 V CA -1.067 61.239 62.300 0.010 0.000 0.905 599 V CB 1.254 32.983 31.823 -0.155 0.000 1.010 599 V HN 1.003 nan 8.190 nan 0.000 0.424 600 L N 4.018 125.306 121.223 0.108 0.000 2.380 600 L HA 0.477 4.847 4.340 0.049 0.000 0.273 600 L C 0.404 177.246 176.870 -0.046 0.000 1.138 600 L CA -0.171 54.703 54.840 0.057 0.000 0.832 600 L CB 0.794 42.839 42.059 -0.024 0.000 1.124 600 L HN 0.591 nan 8.230 nan 0.000 0.454 601 K N 3.931 124.342 120.400 0.019 0.000 2.281 601 K HA 0.237 4.587 4.320 0.049 0.000 0.272 601 K C -0.438 176.025 176.600 -0.228 0.000 1.048 601 K CA -0.347 55.919 56.287 -0.036 0.000 0.898 601 K CB 1.274 33.838 32.500 0.105 0.000 1.128 601 K HN 0.385 nan 8.250 nan 0.000 0.460 602 K N 2.426 122.554 120.400 -0.454 0.000 2.518 602 K HA 0.094 4.444 4.320 0.049 0.000 0.244 602 K C 0.748 177.253 176.600 -0.159 0.000 1.232 602 K CA -0.088 55.701 56.287 -0.829 0.000 1.189 602 K CB 0.252 32.192 32.500 -0.933 0.000 1.737 602 K HN 0.404 nan 8.250 nan 0.000 0.333 603 T N 0.433 115.016 114.554 0.048 0.000 2.701 603 T HA -0.105 4.275 4.350 0.049 0.000 0.263 603 T C 0.877 175.669 174.700 0.154 0.000 1.040 603 T CA 1.100 63.261 62.100 0.102 0.000 1.147 603 T CB 0.143 69.075 68.868 0.106 0.000 0.865 603 T HN 0.514 nan 8.240 nan 0.000 0.426 604 A N 0.212 123.187 122.820 0.257 0.000 2.423 604 A HA 0.858 5.208 4.320 0.049 0.000 0.304 604 A C -1.088 176.657 177.584 0.269 0.000 1.104 604 A CA -0.796 51.364 52.037 0.205 0.000 0.757 604 A CB 1.723 20.802 19.000 0.132 0.000 1.313 604 A HN 0.276 nan 8.150 nan 0.000 0.423 605 M N 1.000 120.708 119.600 0.179 0.000 2.298 605 M HA 0.607 5.116 4.480 0.049 0.000 0.255 605 M C -0.877 175.476 176.300 0.089 0.000 1.021 605 M CA -0.109 55.280 55.300 0.150 0.000 0.968 605 M CB 1.340 34.084 32.600 0.241 0.000 2.037 605 M HN 1.476 nan 8.290 nan 0.000 0.478 606 A N 3.657 126.508 122.820 0.051 0.000 2.316 606 A HA 0.836 5.185 4.320 0.049 0.000 0.284 606 A C -1.029 176.581 177.584 0.043 0.000 1.115 606 A CA -0.550 51.514 52.037 0.044 0.000 0.812 606 A CB 0.792 19.812 19.000 0.034 0.000 1.064 606 A HN 0.846 nan 8.150 nan 0.000 0.489 607 V N 3.253 123.196 119.914 0.048 0.000 2.483 607 V HA 0.366 4.516 4.120 0.049 0.000 0.297 607 V C -0.305 175.824 176.094 0.058 0.000 1.027 607 V CA -0.100 62.231 62.300 0.052 0.000 0.855 607 V CB 1.380 33.237 31.823 0.056 0.000 0.995 607 V HN 0.925 nan 8.190 nan 0.000 0.424 608 M N 4.514 124.157 119.600 0.071 0.000 2.066 608 M HA 0.468 4.977 4.480 0.049 0.000 0.340 608 M C -0.649 175.753 176.300 0.171 0.000 1.053 608 M CA -0.318 55.054 55.300 0.120 0.000 0.983 608 M CB 1.139 33.819 32.600 0.133 0.000 1.520 608 M HN 0.583 nan 8.290 nan 0.000 0.428 609 D N 1.191 121.664 120.400 0.121 0.000 2.539 609 D HA 0.763 5.432 4.640 0.049 0.000 0.280 609 D C 0.616 176.900 176.300 -0.026 0.000 1.208 609 D CA 0.311 54.361 54.000 0.083 0.000 1.088 609 D CB 1.194 42.013 40.800 0.032 0.000 1.149 609 D HN 1.011 nan 8.370 nan 0.000 0.596 610 C N 0.000 119.254 119.300 -0.076 0.000 2.653 610 C HA 0.000 4.490 4.460 0.049 0.000 0.325 610 C CA 0.000 58.900 59.018 -0.197 0.000 1.963 610 C CB 0.000 27.557 27.740 -0.305 0.000 2.134 610 C HN 0.000 nan 8.230 nan 0.000 0.568