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 3p4p_1_M DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.333 176.300 0.055 0.000 1.140 0 M CA 0.000 55.322 55.300 0.037 0.000 0.988 0 M CB 0.000 32.620 32.600 0.034 0.000 1.302 1 Q N 0.510 120.330 119.800 0.033 0.000 2.102 1 Q HA -0.046 4.291 4.340 -0.004 0.000 0.149 1 Q C -1.717 174.296 176.000 0.020 0.000 1.085 1 Q CA 0.368 56.176 55.803 0.008 0.000 0.720 1 Q CB -0.229 28.540 28.738 0.051 0.000 4.376 1 Q HN 0.343 nan 8.270 nan 0.000 0.432 2 T N 2.060 116.568 114.554 -0.077 0.000 2.956 2 T HA 0.799 5.146 4.350 -0.004 0.000 0.312 2 T C -1.535 173.062 174.700 -0.171 0.000 1.151 2 T CA -0.396 61.690 62.100 -0.023 0.000 1.024 2 T CB 0.655 69.504 68.868 -0.031 0.000 1.140 2 T HN 0.322 nan 8.240 nan 0.000 0.473 3 F N 1.388 121.335 119.950 -0.006 0.000 2.593 3 F HA 0.672 5.198 4.527 -0.002 0.000 0.320 3 F C 0.127 175.930 175.800 0.004 0.000 1.060 3 F CA -0.802 57.210 58.000 0.020 0.000 0.940 3 F CB 2.073 41.100 39.000 0.044 0.000 1.268 3 F HN 0.217 nan 8.300 nan 0.000 0.475 4 Q N 1.732 121.664 119.800 0.220 0.000 2.271 4 Q HA 0.771 5.108 4.340 -0.004 0.000 0.268 4 Q C -1.947 174.127 176.000 0.125 0.000 1.021 4 Q CA -0.659 55.215 55.803 0.118 0.000 0.802 4 Q CB 2.332 31.106 28.738 0.060 0.000 1.282 4 Q HN 0.870 nan 8.270 nan 0.000 0.431 5 A N 3.127 125.999 122.820 0.087 0.000 2.572 5 A HA 0.446 4.763 4.320 -0.004 0.000 0.295 5 A C -0.204 177.406 177.584 0.044 0.000 1.072 5 A CA -0.510 51.573 52.037 0.076 0.000 0.691 5 A CB 1.312 20.365 19.000 0.088 0.000 1.291 5 A HN 0.758 nan 8.150 nan 0.000 0.404 6 D N 0.143 120.564 120.400 0.035 0.000 2.097 6 D HA 0.007 4.645 4.640 -0.004 0.000 0.195 6 D C 0.334 176.641 176.300 0.011 0.000 0.989 6 D CA 1.750 55.762 54.000 0.020 0.000 0.827 6 D CB 0.050 40.857 40.800 0.012 0.000 0.966 6 D HN 0.461 nan 8.370 nan 0.000 0.456 7 L N -0.259 120.964 121.223 -0.000 0.000 2.401 7 L HA 0.623 4.960 4.340 -0.004 0.000 0.266 7 L C -0.735 176.124 176.870 -0.017 0.000 0.991 7 L CA -1.025 53.803 54.840 -0.020 0.000 0.818 7 L CB 2.376 44.401 42.059 -0.056 0.000 1.321 7 L HN -0.220 nan 8.230 nan 0.000 0.413 8 A N 4.026 126.829 122.820 -0.027 0.000 2.318 8 A HA 0.799 5.117 4.320 -0.004 0.000 0.317 8 A C -0.769 176.792 177.584 -0.039 0.000 1.159 8 A CA -0.391 51.621 52.037 -0.041 0.000 0.799 8 A CB 0.781 19.742 19.000 -0.066 0.000 1.194 8 A HN 0.640 nan 8.150 nan 0.000 0.479 9 I N 3.093 123.645 120.570 -0.030 0.000 2.362 9 I HA 0.324 4.491 4.170 -0.004 0.000 0.289 9 I C -0.743 175.369 176.117 -0.009 0.000 0.994 9 I CA -0.813 60.478 61.300 -0.015 0.000 1.158 9 I CB 1.934 39.932 38.000 -0.003 0.000 1.315 9 I HN 0.290 nan 8.210 nan 0.000 0.451 10 V N 5.368 125.279 119.914 -0.005 0.000 2.370 10 V HA 0.783 4.900 4.120 -0.004 0.000 0.279 10 V C 0.354 176.469 176.094 0.033 0.000 1.029 10 V CA -0.269 62.032 62.300 0.001 0.000 0.870 10 V CB 1.062 32.872 31.823 -0.021 0.000 0.984 10 V HN 1.054 nan 8.190 nan 0.000 0.451 11 G N 4.214 113.045 108.800 0.052 0.000 3.355 11 G HA2 0.276 4.234 3.960 -0.004 0.000 0.686 11 G HA3 0.276 4.234 3.960 -0.004 0.000 0.686 11 G C -0.080 174.863 174.900 0.071 0.000 1.097 11 G CA -0.195 44.945 45.100 0.067 0.000 0.881 11 G HN 1.465 nan 8.290 nan 0.000 0.550 12 A N 1.805 124.670 122.820 0.074 0.000 2.545 12 A HA 0.754 5.071 4.320 -0.004 0.000 0.277 12 A C 1.563 179.191 177.584 0.074 0.000 1.301 12 A CA 1.192 53.276 52.037 0.078 0.000 0.935 12 A CB -0.123 18.926 19.000 0.081 0.000 1.093 12 A HN 2.262 nan 8.150 nan 0.000 0.519 13 G N -1.179 107.670 108.800 0.082 0.000 2.699 13 G HA2 0.345 4.303 3.960 -0.004 0.000 0.246 13 G HA3 0.345 4.303 3.960 -0.004 0.000 0.246 13 G C 1.207 176.168 174.900 0.102 0.000 1.219 13 G CA 0.026 45.181 45.100 0.093 0.000 0.866 13 G HN 0.572 nan 8.290 nan 0.000 0.572 14 G N 0.204 109.071 108.800 0.112 0.000 2.545 14 G HA2 -0.100 3.857 3.960 -0.004 0.000 0.222 14 G HA3 -0.100 3.857 3.960 -0.004 0.000 0.222 14 G C 1.949 176.935 174.900 0.144 0.000 1.126 14 G CA 1.949 47.127 45.100 0.130 0.000 0.754 14 G HN 1.003 nan 8.290 nan 0.000 0.583 15 A N 0.847 123.755 122.820 0.148 0.000 1.845 15 A HA 0.186 4.504 4.320 -0.004 0.000 0.215 15 A C 2.814 180.469 177.584 0.118 0.000 1.195 15 A CA 2.223 54.350 52.037 0.150 0.000 0.616 15 A CB -1.328 17.767 19.000 0.159 0.000 0.832 15 A HN 0.663 nan 8.150 nan 0.000 0.443 16 G N -0.303 108.558 108.800 0.101 0.000 2.469 16 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.219 16 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.219 16 G C 1.603 176.545 174.900 0.071 0.000 1.150 16 G CA 1.177 46.324 45.100 0.078 0.000 0.763 16 G HN 0.408 nan 8.290 nan 0.000 0.561 17 L N -0.316 120.958 121.223 0.084 0.000 2.046 17 L HA -0.048 4.290 4.340 -0.004 0.000 0.208 17 L C 2.947 179.850 176.870 0.055 0.000 1.077 17 L CA 1.313 56.200 54.840 0.077 0.000 0.747 17 L CB -0.194 41.925 42.059 0.100 0.000 0.896 17 L HN 0.162 nan 8.230 nan 0.000 0.432 18 R N 0.291 120.845 120.500 0.091 0.000 2.092 18 R HA -0.085 4.252 4.340 -0.004 0.000 0.231 18 R C 2.088 178.434 176.300 0.077 0.000 1.119 18 R CA 1.575 57.746 56.100 0.118 0.000 0.970 18 R CB -0.590 29.811 30.300 0.169 0.000 0.864 18 R HN 0.322 nan 8.270 nan 0.000 0.440 19 A N 0.224 123.077 122.820 0.055 0.000 1.898 19 A HA 0.025 4.342 4.320 -0.004 0.000 0.216 19 A C 2.358 179.921 177.584 -0.035 0.000 1.181 19 A CA 1.600 53.645 52.037 0.013 0.000 0.620 19 A CB -1.015 17.989 19.000 0.007 0.000 0.819 19 A HN 0.446 nan 8.150 nan 0.000 0.442 20 A N 0.018 122.820 122.820 -0.031 0.000 1.933 20 A HA -0.092 4.226 4.320 -0.004 0.000 0.218 20 A C 2.111 179.608 177.584 -0.144 0.000 1.175 20 A CA 1.535 53.533 52.037 -0.064 0.000 0.628 20 A CB -0.611 18.374 19.000 -0.025 0.000 0.814 20 A HN 0.511 nan 8.150 nan 0.000 0.444 21 I N -0.348 120.127 120.570 -0.160 0.000 2.179 21 I HA -0.278 3.889 4.170 -0.004 0.000 0.242 21 I C 2.993 178.916 176.117 -0.323 0.000 1.088 21 I CA 1.137 62.239 61.300 -0.330 0.000 1.357 21 I CB -0.408 37.455 38.000 -0.229 0.000 1.051 21 I HN 0.355 nan 8.210 nan 0.000 0.409 22 A N 0.751 123.499 122.820 -0.119 0.000 1.902 22 A HA -0.152 4.166 4.320 -0.004 0.000 0.217 22 A C 2.547 180.061 177.584 -0.117 0.000 1.181 22 A CA 1.826 53.821 52.037 -0.070 0.000 0.623 22 A CB -0.836 18.164 19.000 -0.000 0.000 0.818 22 A HN 0.439 nan 8.150 nan 0.000 0.443 23 A N -0.072 122.670 122.820 -0.130 0.000 1.883 23 A HA 0.117 4.435 4.320 -0.004 0.000 0.217 23 A C 2.511 180.009 177.584 -0.144 0.000 1.186 23 A CA 2.252 54.214 52.037 -0.124 0.000 0.624 23 A CB -1.038 17.892 19.000 -0.116 0.000 0.822 23 A HN 1.082 nan 8.150 nan 0.000 0.444 24 A N -1.263 121.421 122.820 -0.226 0.000 1.930 24 A HA -0.170 4.147 4.320 -0.004 0.000 0.217 24 A C 2.156 179.577 177.584 -0.271 0.000 1.175 24 A CA 1.735 53.614 52.037 -0.264 0.000 0.627 24 A CB -0.475 18.269 19.000 -0.426 0.000 0.815 24 A HN 0.639 nan 8.150 nan 0.000 0.443 25 Q N -0.908 118.686 119.800 -0.343 0.000 2.172 25 Q HA 0.005 4.342 4.340 -0.004 0.000 0.200 25 Q C 2.184 178.146 176.000 -0.062 0.000 0.964 25 Q CA 1.096 56.786 55.803 -0.188 0.000 0.855 25 Q CB -0.251 28.399 28.738 -0.148 0.000 0.918 25 Q HN 0.646 nan 8.270 nan 0.000 0.444 26 A N 0.931 123.710 122.820 -0.067 0.000 1.897 26 A HA -0.113 4.204 4.320 -0.004 0.000 0.215 26 A C 0.981 178.551 177.584 -0.022 0.000 1.181 26 A CA 1.181 53.199 52.037 -0.032 0.000 0.620 26 A CB -0.212 18.767 19.000 -0.036 0.000 0.821 26 A HN 0.492 nan 8.150 nan 0.000 0.443 27 N N -0.774 117.906 118.700 -0.033 0.000 2.623 27 N HA 0.295 5.032 4.740 -0.004 0.000 0.256 27 N C -2.509 172.993 175.510 -0.013 0.000 1.045 27 N CA -1.716 51.324 53.050 -0.017 0.000 0.863 27 N CB 1.553 40.030 38.487 -0.017 0.000 1.182 27 N HN -0.157 nan 8.380 nan 0.000 0.523 28 P HA -0.135 nan 4.420 nan 0.000 0.216 28 P C 0.584 177.898 177.300 0.023 0.000 1.153 28 P CA 1.243 64.358 63.100 0.026 0.000 0.858 28 P CB 0.221 31.944 31.700 0.038 0.000 0.789 29 N N -0.607 118.103 118.700 0.017 0.000 2.550 29 N HA 0.003 4.741 4.740 -0.004 0.000 0.186 29 N C 0.732 176.250 175.510 0.014 0.000 1.110 29 N CA 0.329 53.389 53.050 0.017 0.000 0.912 29 N CB -0.593 37.902 38.487 0.014 0.000 0.968 29 N HN 0.099 nan 8.380 nan 0.000 0.448 30 A N 1.172 123.995 122.820 0.006 0.000 2.520 30 A HA 0.027 4.344 4.320 -0.004 0.000 0.235 30 A C 0.837 178.428 177.584 0.010 0.000 1.065 30 A CA 0.237 52.275 52.037 0.001 0.000 0.764 30 A CB 0.333 19.321 19.000 -0.019 0.000 1.002 30 A HN -0.034 nan 8.150 nan 0.000 0.502 31 K N 3.773 124.184 120.400 0.019 0.000 2.606 31 K HA 0.263 4.580 4.320 -0.004 0.000 0.196 31 K C -0.414 176.209 176.600 0.038 0.000 1.048 31 K CA -0.266 56.042 56.287 0.036 0.000 1.017 31 K CB -0.186 32.345 32.500 0.052 0.000 1.413 31 K HN 0.703 nan 8.250 nan 0.000 0.568 32 I N 0.512 121.093 120.570 0.019 0.000 2.556 32 I HA 0.270 4.437 4.170 -0.004 0.000 0.284 32 I C 0.178 176.330 176.117 0.058 0.000 1.114 32 I CA -0.520 60.789 61.300 0.015 0.000 1.418 32 I CB 1.006 38.992 38.000 -0.023 0.000 1.394 32 I HN 0.235 nan 8.210 nan 0.000 0.552 33 A N 7.557 130.425 122.820 0.080 0.000 2.258 33 A HA 0.594 4.912 4.320 -0.004 0.000 0.316 33 A C -0.686 176.982 177.584 0.139 0.000 1.279 33 A CA -0.562 51.584 52.037 0.183 0.000 0.876 33 A CB 1.020 20.147 19.000 0.212 0.000 1.170 33 A HN 0.701 nan 8.150 nan 0.000 0.520 34 L N 4.562 125.898 121.223 0.187 0.000 2.260 34 L HA 0.635 4.972 4.340 -0.004 0.000 0.289 34 L C -0.659 176.340 176.870 0.214 0.000 1.057 34 L CA -0.096 54.831 54.840 0.145 0.000 0.811 34 L CB 0.110 42.239 42.059 0.116 0.000 1.184 34 L HN 0.573 nan 8.230 nan 0.000 0.429 35 I N 3.720 124.356 120.570 0.110 0.000 2.562 35 I HA 0.683 4.850 4.170 -0.004 0.000 0.301 35 I C 0.034 176.205 176.117 0.090 0.000 1.003 35 I CA -0.488 60.867 61.300 0.093 0.000 1.127 35 I CB 1.972 39.925 38.000 -0.079 0.000 1.304 35 I HN 0.608 nan 8.210 nan 0.000 0.446 36 S N 1.977 117.743 115.700 0.110 0.000 2.543 36 S HA 0.274 4.741 4.470 -0.004 0.000 0.274 36 S C 0.129 174.778 174.600 0.081 0.000 1.149 36 S CA -0.846 57.407 58.200 0.088 0.000 0.866 36 S CB 1.429 64.666 63.200 0.062 0.000 1.111 36 S HN 0.776 nan 8.310 nan 0.000 0.457 37 K N 1.221 121.677 120.400 0.093 0.000 2.243 37 K HA 0.180 4.497 4.320 -0.004 0.000 0.201 37 K C 0.807 177.366 176.600 -0.067 0.000 1.051 37 K CA 0.789 57.099 56.287 0.039 0.000 0.970 37 K CB -0.337 32.174 32.500 0.017 0.000 0.755 37 K HN 0.418 nan 8.250 nan 0.000 0.465 38 V N -1.068 118.817 119.914 -0.048 0.000 2.769 38 V HA 0.390 4.507 4.120 -0.004 0.000 0.312 38 V C -0.461 175.574 176.094 -0.098 0.000 1.058 38 V CA -1.486 60.779 62.300 -0.059 0.000 0.952 38 V CB 0.597 32.431 31.823 0.019 0.000 1.019 38 V HN 0.044 nan 8.190 nan 0.000 0.445 39 Y N 3.257 123.538 120.300 -0.031 0.000 2.683 39 Y HA 0.196 4.743 4.550 -0.004 0.000 0.340 39 Y C -1.249 174.535 175.900 -0.192 0.000 1.245 39 Y CA -0.539 57.496 58.100 -0.109 0.000 1.485 39 Y CB -0.014 38.359 38.460 -0.146 0.000 1.328 39 Y HN 0.495 nan 8.280 nan 0.000 0.603 40 P HA -0.305 nan 4.420 nan 0.000 0.216 40 P C 1.786 178.867 177.300 -0.365 0.000 1.157 40 P CA 2.377 65.324 63.100 -0.254 0.000 0.880 40 P CB -0.033 31.453 31.700 -0.357 0.000 0.791 41 M N -1.472 117.759 119.600 -0.615 0.000 2.159 41 M HA -0.107 4.371 4.480 -0.004 0.000 0.263 41 M C 1.364 177.563 176.300 -0.168 0.000 1.063 41 M CA 1.991 56.954 55.300 -0.561 0.000 1.110 41 M CB -1.637 30.550 32.600 -0.688 0.000 1.374 41 M HN -0.107 nan 8.290 nan 0.000 0.411 42 R N 2.308 122.765 120.500 -0.073 0.000 2.357 42 R HA 0.089 4.427 4.340 -0.004 0.000 0.202 42 R C 0.737 177.069 176.300 0.054 0.000 1.047 42 R CA 0.654 56.776 56.100 0.037 0.000 1.034 42 R CB -1.169 29.185 30.300 0.091 0.000 0.875 42 R HN 0.684 nan 8.270 nan 0.000 0.473 43 S N -0.181 115.532 115.700 0.023 0.000 2.565 43 S HA 0.039 4.507 4.470 -0.004 0.000 0.274 43 S C 0.200 174.868 174.600 0.114 0.000 1.309 43 S CA -0.661 57.581 58.200 0.070 0.000 1.043 43 S CB 1.175 64.405 63.200 0.050 0.000 0.939 43 S HN 0.398 nan 8.310 nan 0.000 0.504 44 H N 2.142 121.249 119.070 0.062 0.000 3.792 44 H HA 0.229 4.783 4.556 -0.004 0.000 0.216 44 H C 0.426 175.809 175.328 0.091 0.000 1.525 44 H CA 0.336 56.432 56.048 0.079 0.000 1.309 44 H CB -0.732 29.069 29.762 0.064 0.000 1.540 44 H HN 0.727 nan 8.280 nan 0.000 0.711 45 T N -0.128 114.469 114.554 0.073 0.000 2.971 45 T HA -0.039 4.308 4.350 -0.004 0.000 0.252 45 T C 1.930 176.652 174.700 0.036 0.000 1.022 45 T CA 0.421 62.567 62.100 0.076 0.000 0.980 45 T CB 0.226 69.158 68.868 0.107 0.000 1.044 45 T HN 0.377 nan 8.240 nan 0.000 0.501 46 V N 2.180 122.106 119.914 0.019 0.000 2.358 46 V HA -0.001 4.116 4.120 -0.004 0.000 0.246 46 V C 2.471 178.607 176.094 0.069 0.000 1.047 46 V CA 2.019 64.368 62.300 0.081 0.000 1.035 46 V CB -0.710 31.191 31.823 0.130 0.000 0.658 46 V HN 0.494 nan 8.190 nan 0.000 0.452 47 A N -0.153 122.608 122.820 -0.099 0.000 2.239 47 A HA 0.447 4.764 4.320 -0.004 0.000 0.209 47 A C 1.343 178.934 177.584 0.011 0.000 1.171 47 A CA 0.724 52.712 52.037 -0.081 0.000 0.768 47 A CB -0.747 18.078 19.000 -0.291 0.000 0.790 47 A HN 0.843 nan 8.150 nan 0.000 0.478 48 A N 0.526 123.366 122.820 0.033 0.000 2.544 48 A HA 0.404 4.722 4.320 -0.004 0.000 0.301 48 A C 0.773 178.455 177.584 0.163 0.000 1.368 48 A CA -0.213 51.893 52.037 0.115 0.000 1.045 48 A CB -0.246 18.825 19.000 0.118 0.000 1.129 48 A HN 0.580 nan 8.150 nan 0.000 0.540 49 E N 2.405 122.722 120.200 0.194 0.000 2.107 49 E HA -0.088 4.259 4.350 -0.004 0.000 0.191 49 E C 2.043 178.763 176.600 0.199 0.000 0.982 49 E CA 0.958 57.492 56.400 0.224 0.000 0.809 49 E CB 0.053 29.923 29.700 0.283 0.000 0.756 49 E HN 0.767 nan 8.360 nan 0.000 0.459 50 G N 0.911 109.809 108.800 0.163 0.000 2.414 50 G HA2 0.155 4.113 3.960 -0.004 0.000 0.215 50 G HA3 0.155 4.113 3.960 -0.004 0.000 0.215 50 G C 0.730 175.433 174.900 -0.328 0.000 1.188 50 G CA 0.693 45.799 45.100 0.010 0.000 0.783 50 G HN 0.527 nan 8.290 nan 0.000 0.537 51 G N -2.101 106.608 108.800 -0.151 0.000 2.357 51 G HA2 0.402 4.359 3.960 -0.004 0.000 0.289 51 G HA3 0.402 4.359 3.960 -0.004 0.000 0.289 51 G C -1.188 173.721 174.900 0.015 0.000 1.302 51 G CA 0.351 45.421 45.100 -0.049 0.000 0.936 51 G HN 0.875 nan 8.290 nan 0.000 0.513 52 S N -1.222 114.532 115.700 0.090 0.000 2.541 52 S HA 0.847 5.314 4.470 -0.004 0.000 0.280 52 S C -0.084 174.532 174.600 0.028 0.000 1.112 52 S CA 0.550 58.796 58.200 0.077 0.000 0.925 52 S CB 1.347 64.625 63.200 0.130 0.000 1.067 52 S HN 2.094 nan 8.310 nan 0.000 0.479 53 A N 2.350 125.189 122.820 0.030 0.000 2.317 53 A HA 0.958 5.275 4.320 -0.004 0.000 0.327 53 A C -0.254 177.285 177.584 -0.075 0.000 1.178 53 A CA -0.291 51.775 52.037 0.048 0.000 0.817 53 A CB 0.931 19.986 19.000 0.091 0.000 1.189 53 A HN 1.514 nan 8.150 nan 0.000 0.489 54 A N 1.609 124.364 122.820 -0.107 0.000 2.577 54 A HA 0.569 4.886 4.320 -0.004 0.000 0.297 54 A C -0.732 176.914 177.584 0.103 0.000 1.060 54 A CA -0.496 51.413 52.037 -0.214 0.000 0.697 54 A CB 0.586 19.098 19.000 -0.813 0.000 1.281 54 A HN 1.352 nan 8.150 nan 0.000 0.402 55 V N 1.715 121.671 119.914 0.071 0.000 2.557 55 V HA 0.320 4.437 4.120 -0.004 0.000 0.301 55 V C 1.201 177.360 176.094 0.109 0.000 1.026 55 V CA 1.445 63.754 62.300 0.015 0.000 1.137 55 V CB 0.373 32.035 31.823 -0.268 0.000 0.917 55 V HN 1.404 nan 8.190 nan 0.000 0.484 56 A N 4.157 127.027 122.820 0.085 0.000 1.989 56 A HA 0.229 4.546 4.320 -0.004 0.000 0.201 56 A C 0.892 178.455 177.584 -0.034 0.000 1.720 56 A CA -0.214 51.867 52.037 0.073 0.000 0.956 56 A CB 0.070 19.059 19.000 -0.018 0.000 1.094 56 A HN 0.730 nan 8.150 nan 0.000 0.561 57 Q N 1.455 121.203 119.800 -0.086 0.000 2.332 57 Q HA 0.142 4.480 4.340 -0.004 0.000 0.263 57 Q C -0.984 174.965 176.000 -0.085 0.000 0.979 57 Q CA 0.038 55.802 55.803 -0.064 0.000 0.885 57 Q CB 0.596 29.286 28.738 -0.080 0.000 1.218 57 Q HN 0.375 nan 8.270 nan 0.000 0.405 58 D N 1.191 121.593 120.400 0.003 0.000 2.269 58 D HA -0.135 4.502 4.640 -0.004 0.000 0.208 58 D C 0.952 177.267 176.300 0.024 0.000 0.963 58 D CA 1.170 55.169 54.000 -0.003 0.000 0.864 58 D CB -0.438 40.376 40.800 0.023 0.000 0.936 58 D HN 0.839 nan 8.370 nan 0.000 0.505 59 H N -0.585 118.461 119.070 -0.040 0.000 4.154 59 H HA 0.304 4.857 4.556 -0.004 0.000 0.224 59 H C -0.662 174.610 175.328 -0.094 0.000 1.227 59 H CA -0.128 55.888 56.048 -0.054 0.000 1.274 59 H CB -0.324 29.391 29.762 -0.077 0.000 1.426 59 H HN -0.230 nan 8.280 nan 0.000 0.788 60 D N -0.178 120.130 120.400 -0.154 0.000 2.655 60 D HA 0.369 5.007 4.640 -0.004 0.000 0.229 60 D C -1.255 175.078 176.300 0.054 0.000 1.229 60 D CA -0.655 53.267 54.000 -0.130 0.000 0.807 60 D CB 2.490 43.132 40.800 -0.264 0.000 1.514 60 D HN 0.252 nan 8.370 nan 0.000 0.444 61 S N 1.272 117.151 115.700 0.297 0.000 2.570 61 S HA 0.426 4.893 4.470 -0.004 0.000 0.286 61 S C 0.530 175.066 174.600 -0.106 0.000 1.099 61 S CA -0.593 57.595 58.200 -0.020 0.000 0.913 61 S CB 0.566 63.681 63.200 -0.141 0.000 1.085 61 S HN 0.320 nan 8.310 nan 0.000 0.480 62 F N 1.736 121.663 119.950 -0.038 0.000 2.216 62 F HA -0.013 4.512 4.527 -0.004 0.000 0.300 62 F C 2.656 178.465 175.800 0.015 0.000 1.085 62 F CA 1.376 59.290 58.000 -0.143 0.000 1.326 62 F CB -0.222 38.413 39.000 -0.608 0.000 1.027 62 F HN 0.735 nan 8.300 nan 0.000 0.497 63 E N 0.564 120.858 120.200 0.157 0.000 2.085 63 E HA -0.262 4.086 4.350 -0.004 0.000 0.194 63 E C 2.096 178.827 176.600 0.218 0.000 0.994 63 E CA 1.688 58.183 56.400 0.158 0.000 0.801 63 E CB -0.875 28.808 29.700 -0.028 0.000 0.743 63 E HN 0.530 nan 8.360 nan 0.000 0.453 64 Y N 0.075 120.478 120.300 0.171 0.000 2.165 64 Y HA -0.216 4.332 4.550 -0.004 0.000 0.286 64 Y C 2.759 178.776 175.900 0.195 0.000 1.155 64 Y CA 1.815 59.989 58.100 0.123 0.000 1.164 64 Y CB -0.533 37.936 38.460 0.016 0.000 0.978 64 Y HN 0.350 nan 8.280 nan 0.000 0.513 65 H N -1.048 118.166 119.070 0.240 0.000 2.326 65 H HA -0.216 4.338 4.556 -0.004 0.000 0.301 65 H C 2.148 177.609 175.328 0.222 0.000 1.081 65 H CA 1.371 57.529 56.048 0.182 0.000 1.334 65 H CB -0.295 29.534 29.762 0.112 0.000 1.385 65 H HN 0.324 nan 8.280 nan 0.000 0.504 66 F N 0.999 121.110 119.950 0.269 0.000 2.095 66 F HA -0.306 4.219 4.527 -0.004 0.000 0.298 66 F C 2.760 178.643 175.800 0.140 0.000 1.104 66 F CA 2.131 60.231 58.000 0.167 0.000 1.232 66 F CB -0.818 38.257 39.000 0.125 0.000 0.987 66 F HN 0.297 nan 8.300 nan 0.000 0.475 67 H N 0.203 119.294 119.070 0.036 0.000 2.352 67 H HA -0.172 4.382 4.556 -0.004 0.000 0.299 67 H C 1.655 176.885 175.328 -0.163 0.000 1.097 67 H CA 2.216 58.191 56.048 -0.122 0.000 1.311 67 H CB -0.431 29.386 29.762 0.093 0.000 1.377 67 H HN 0.298 nan 8.280 nan 0.000 0.504 68 D N -0.480 119.994 120.400 0.122 0.000 2.117 68 D HA -0.105 4.533 4.640 -0.004 0.000 0.197 68 D C 2.134 178.401 176.300 -0.056 0.000 0.987 68 D CA 1.628 55.665 54.000 0.062 0.000 0.829 68 D CB -0.534 40.332 40.800 0.111 0.000 0.961 68 D HN 0.393 nan 8.370 nan 0.000 0.460 69 T N 0.340 114.879 114.554 -0.024 0.000 2.708 69 T HA -0.089 4.259 4.350 -0.004 0.000 0.266 69 T C 2.244 176.772 174.700 -0.288 0.000 1.037 69 T CA 0.853 62.919 62.100 -0.057 0.000 1.146 69 T CB -0.344 68.553 68.868 0.048 0.000 0.865 69 T HN -0.020 nan 8.240 nan 0.000 0.435 70 V N 1.727 121.297 119.914 -0.573 0.000 2.307 70 V HA -0.130 3.987 4.120 -0.004 0.000 0.245 70 V C 2.921 178.449 176.094 -0.944 0.000 1.045 70 V CA 1.569 63.365 62.300 -0.841 0.000 1.024 70 V CB -1.299 29.807 31.823 -1.194 0.000 0.651 70 V HN 0.521 nan 8.190 nan 0.000 0.449 71 A N 0.824 123.123 122.820 -0.868 0.000 1.892 71 A HA -0.184 4.134 4.320 -0.004 0.000 0.218 71 A C 2.445 179.875 177.584 -0.256 0.000 1.188 71 A CA 2.236 53.916 52.037 -0.594 0.000 0.631 71 A CB -1.421 17.386 19.000 -0.321 0.000 0.822 71 A HN 0.545 nan 8.150 nan 0.000 0.447 72 G N -0.989 107.700 108.800 -0.185 0.000 2.450 72 G HA2 0.026 3.983 3.960 -0.004 0.000 0.220 72 G HA3 0.026 3.983 3.960 -0.004 0.000 0.220 72 G C 1.364 176.210 174.900 -0.090 0.000 1.130 72 G CA 1.228 46.278 45.100 -0.083 0.000 0.760 72 G HN 0.823 nan 8.290 nan 0.000 0.557 73 G N -0.706 107.994 108.800 -0.168 0.000 2.813 73 G HA2 0.199 4.157 3.960 -0.004 0.000 0.209 73 G HA3 0.199 4.157 3.960 -0.004 0.000 0.209 73 G C 0.610 175.451 174.900 -0.097 0.000 1.150 73 G CA 0.754 45.763 45.100 -0.152 0.000 0.785 73 G HN 0.266 nan 8.290 nan 0.000 0.535 74 D N -1.786 118.611 120.400 -0.006 0.000 3.059 74 D HA -0.161 4.477 4.640 -0.004 0.000 0.220 74 D C 0.702 177.332 176.300 0.551 0.000 1.169 74 D CA 1.158 55.348 54.000 0.317 0.000 0.902 74 D CB -1.335 39.563 40.800 0.165 0.000 1.116 74 D HN 0.642 nan 8.370 nan 0.000 0.417 75 W N -1.907 119.339 121.300 -0.090 0.000 1.814 75 W HA -0.289 4.368 4.660 -0.004 0.000 0.259 75 W C 1.230 177.706 176.519 -0.070 0.000 1.042 75 W CA 0.239 57.541 57.345 -0.072 0.000 0.450 75 W CB -1.910 27.523 29.460 -0.044 0.000 2.061 75 W HN 0.208 nan 8.180 nan 0.000 1.213 76 L N 0.169 121.423 121.223 0.052 0.000 2.610 76 L HA -0.030 4.307 4.340 -0.004 0.000 0.232 76 L C 1.303 178.195 176.870 0.036 0.000 1.149 76 L CA 0.854 55.667 54.840 -0.045 0.000 0.872 76 L CB -0.483 41.489 42.059 -0.143 0.000 0.992 76 L HN -0.069 nan 8.230 nan 0.000 0.447 77 C N 0.879 120.181 119.300 0.003 0.000 2.601 77 C HA 0.141 4.599 4.460 -0.004 0.000 0.409 77 C C 0.874 175.913 174.990 0.082 0.000 1.293 77 C CA -1.232 57.795 59.018 0.015 0.000 2.101 77 C CB 0.216 27.894 27.740 -0.103 0.000 2.639 77 C HN 0.244 nan 8.230 nan 0.000 0.592 78 E N 2.191 122.457 120.200 0.111 0.000 2.104 78 E HA 0.014 4.361 4.350 -0.004 0.000 0.278 78 E C 0.766 177.443 176.600 0.129 0.000 1.127 78 E CA 0.321 56.795 56.400 0.123 0.000 0.897 78 E CB 0.481 30.230 29.700 0.081 0.000 1.043 78 E HN 0.699 nan 8.360 nan 0.000 0.410 79 Q N 1.544 121.446 119.800 0.171 0.000 2.291 79 Q HA -0.167 4.171 4.340 -0.004 0.000 0.205 79 Q C 1.408 177.590 176.000 0.304 0.000 0.970 79 Q CA 1.243 57.224 55.803 0.296 0.000 0.876 79 Q CB 0.203 29.157 28.738 0.360 0.000 0.935 79 Q HN 0.520 nan 8.270 nan 0.000 0.455 80 D N -0.117 120.395 120.400 0.187 0.000 2.149 80 D HA -0.122 4.515 4.640 -0.004 0.000 0.201 80 D C 1.788 178.198 176.300 0.183 0.000 0.972 80 D CA 0.895 54.980 54.000 0.142 0.000 0.835 80 D CB -0.380 40.472 40.800 0.086 0.000 0.966 80 D HN 0.094 nan 8.370 nan 0.000 0.476 81 V N 0.955 120.982 119.914 0.187 0.000 2.343 81 V HA -0.207 3.911 4.120 -0.004 0.000 0.247 81 V C 2.910 179.242 176.094 0.397 0.000 1.051 81 V CA 1.421 63.872 62.300 0.253 0.000 1.036 81 V CB -0.344 31.540 31.823 0.101 0.000 0.654 81 V HN 0.128 nan 8.190 nan 0.000 0.451 82 V N 0.162 120.282 119.914 0.344 0.000 2.515 82 V HA -0.220 3.897 4.120 -0.004 0.000 0.250 82 V C 2.217 178.607 176.094 0.493 0.000 1.058 82 V CA 2.087 64.652 62.300 0.442 0.000 1.064 82 V CB -0.661 31.405 31.823 0.405 0.000 0.675 82 V HN 0.562 nan 8.190 nan 0.000 0.461 83 D N -0.940 119.678 120.400 0.364 0.000 2.183 83 D HA -0.189 4.448 4.640 -0.004 0.000 0.203 83 D C 1.922 178.411 176.300 0.315 0.000 0.969 83 D CA 0.991 55.120 54.000 0.215 0.000 0.842 83 D CB -0.098 40.708 40.800 0.011 0.000 0.957 83 D HN 0.521 nan 8.370 nan 0.000 0.484 84 Y N -0.170 120.218 120.300 0.147 0.000 2.153 84 Y HA -0.129 4.418 4.550 -0.004 0.000 0.289 84 Y C 1.902 177.838 175.900 0.060 0.000 1.127 84 Y CA 1.417 59.546 58.100 0.048 0.000 1.131 84 Y CB -0.835 37.591 38.460 -0.057 0.000 0.995 84 Y HN 0.017 nan 8.280 nan 0.000 0.505 85 F N -0.085 119.828 119.950 -0.063 0.000 2.091 85 F HA -0.234 4.290 4.527 -0.004 0.000 0.299 85 F C 2.332 178.027 175.800 -0.175 0.000 1.103 85 F CA 1.868 59.761 58.000 -0.178 0.000 1.228 85 F CB -1.043 38.100 39.000 0.238 0.000 0.984 85 F HN -0.039 nan 8.300 nan 0.000 0.477 86 V N -0.140 119.669 119.914 -0.174 0.000 2.407 86 V HA -0.327 3.790 4.120 -0.004 0.000 0.248 86 V C 2.147 178.041 176.094 -0.334 0.000 1.055 86 V CA 2.567 64.641 62.300 -0.377 0.000 1.049 86 V CB -0.667 31.074 31.823 -0.136 0.000 0.662 86 V HN 0.457 nan 8.190 nan 0.000 0.455 87 H N -1.975 116.905 119.070 -0.316 0.000 2.512 87 H HA 0.072 4.625 4.556 -0.004 0.000 0.279 87 H C 1.917 176.986 175.328 -0.432 0.000 0.999 87 H CA 1.209 56.930 56.048 -0.545 0.000 1.283 87 H CB 0.068 29.497 29.762 -0.555 0.000 1.421 87 H HN 0.524 nan 8.280 nan 0.000 0.554 88 H N -1.669 117.104 119.070 -0.495 0.000 2.551 88 H HA 0.066 4.620 4.556 -0.004 0.000 0.271 88 H C 1.466 176.512 175.328 -0.470 0.000 0.984 88 H CA 0.025 55.766 56.048 -0.512 0.000 1.164 88 H CB 0.441 29.741 29.762 -0.771 0.000 1.437 88 H HN 0.388 nan 8.280 nan 0.000 0.550 89 C N 1.157 120.199 119.300 -0.430 0.000 2.436 89 C HA -0.075 4.382 4.460 -0.004 0.000 0.277 89 C C -0.009 174.734 174.990 -0.411 0.000 1.241 89 C CA 0.610 59.349 59.018 -0.467 0.000 1.721 89 C CB -1.086 26.318 27.740 -0.560 0.000 2.043 89 C HN 0.424 nan 8.230 nan 0.000 0.472 90 P HA -0.081 nan 4.420 nan 0.000 0.218 90 P C 1.551 178.693 177.300 -0.263 0.000 1.148 90 P CA 1.735 64.680 63.100 -0.258 0.000 0.822 90 P CB -0.227 31.455 31.700 -0.030 0.000 0.784 91 T N -0.461 113.945 114.554 -0.248 0.000 2.668 91 T HA -0.130 4.217 4.350 -0.004 0.000 0.262 91 T C 1.617 176.172 174.700 -0.241 0.000 1.045 91 T CA 1.239 63.202 62.100 -0.227 0.000 1.152 91 T CB -0.663 68.054 68.868 -0.251 0.000 0.864 91 T HN 0.120 nan 8.240 nan 0.000 0.419 92 E N 0.818 120.869 120.200 -0.249 0.000 2.085 92 E HA -0.075 4.272 4.350 -0.004 0.000 0.194 92 E C 2.094 178.566 176.600 -0.214 0.000 0.994 92 E CA 1.070 57.346 56.400 -0.207 0.000 0.801 92 E CB -0.421 29.192 29.700 -0.146 0.000 0.743 92 E HN 0.355 nan 8.360 nan 0.000 0.453 93 M N 0.144 119.509 119.600 -0.393 0.000 2.213 93 M HA -0.082 4.396 4.480 -0.004 0.000 0.263 93 M C 2.120 178.277 176.300 -0.239 0.000 1.062 93 M CA 1.351 56.325 55.300 -0.544 0.000 1.105 93 M CB -0.604 30.995 32.600 -1.667 0.000 1.385 93 M HN -0.033 nan 8.290 nan 0.000 0.417 94 T N -0.971 113.445 114.554 -0.231 0.000 2.904 94 T HA -0.136 4.211 4.350 -0.004 0.000 0.267 94 T C 1.741 176.395 174.700 -0.077 0.000 1.059 94 T CA 1.122 63.199 62.100 -0.038 0.000 1.137 94 T CB -0.076 68.761 68.868 -0.050 0.000 0.879 94 T HN 0.265 nan 8.240 nan 0.000 0.467 95 Q N 0.849 120.520 119.800 -0.215 0.000 2.123 95 Q HA 0.116 4.453 4.340 -0.004 0.000 0.199 95 Q C 2.075 177.765 176.000 -0.516 0.000 0.966 95 Q CA 1.232 56.753 55.803 -0.471 0.000 0.845 95 Q CB -0.633 27.728 28.738 -0.628 0.000 0.907 95 Q HN 0.474 nan 8.270 nan 0.000 0.439 96 L N 0.408 121.554 121.223 -0.129 0.000 2.017 96 L HA -0.173 4.165 4.340 -0.004 0.000 0.208 96 L C 2.509 179.481 176.870 0.171 0.000 1.073 96 L CA 1.669 56.592 54.840 0.137 0.000 0.745 96 L CB -0.642 41.633 42.059 0.358 0.000 0.894 96 L HN 0.379 nan 8.230 nan 0.000 0.432 97 E N 0.890 121.272 120.200 0.304 0.000 2.097 97 E HA -0.245 4.102 4.350 -0.004 0.000 0.196 97 E C 2.209 178.883 176.600 0.123 0.000 1.000 97 E CA 1.522 58.082 56.400 0.268 0.000 0.804 97 E CB -0.129 29.822 29.700 0.419 0.000 0.740 97 E HN 0.512 nan 8.360 nan 0.000 0.454 98 L N -0.806 120.432 121.223 0.025 0.000 2.141 98 L HA -0.131 4.206 4.340 -0.004 0.000 0.209 98 L C 2.162 179.092 176.870 0.101 0.000 1.094 98 L CA 0.635 55.470 54.840 -0.009 0.000 0.763 98 L CB -0.521 41.456 42.059 -0.137 0.000 0.908 98 L HN 0.210 nan 8.230 nan 0.000 0.437 99 W N 0.449 121.786 121.300 0.061 0.000 3.180 99 W HA 0.230 4.887 4.660 -0.004 0.000 0.254 99 W C 1.493 178.017 176.519 0.008 0.000 1.318 99 W CA 0.800 58.166 57.345 0.034 0.000 1.608 99 W CB -0.860 28.627 29.460 0.045 0.000 1.124 99 W HN 0.369 nan 8.180 nan 0.000 0.694 100 G N -0.271 108.645 108.800 0.194 0.000 2.163 100 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.213 100 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.213 100 G C 0.267 175.187 174.900 0.034 0.000 0.991 100 G CA -0.345 44.815 45.100 0.100 0.000 0.653 100 G HN 0.208 nan 8.290 nan 0.000 0.518 101 C N 3.027 122.315 119.300 -0.021 0.000 2.633 101 C HA 0.527 4.984 4.460 -0.004 0.000 0.415 101 C C -1.250 173.539 174.990 -0.335 0.000 1.393 101 C CA -0.766 58.107 59.018 -0.243 0.000 1.700 101 C CB 0.224 27.660 27.740 -0.506 0.000 2.541 101 C HN 0.376 nan 8.230 nan 0.000 0.603 102 P HA 0.196 nan 4.420 nan 0.000 0.226 102 P C -1.008 176.135 177.300 -0.262 0.000 1.832 102 P CA -0.157 62.835 63.100 -0.180 0.000 1.092 102 P CB -0.469 31.197 31.700 -0.058 0.000 1.873 103 W N 1.221 122.485 121.300 -0.060 0.000 2.210 103 W HA 0.154 4.811 4.660 -0.004 0.000 0.330 103 W C 0.813 177.156 176.519 -0.293 0.000 1.334 103 W CA -0.265 56.984 57.345 -0.160 0.000 1.227 103 W CB 0.227 29.645 29.460 -0.069 0.000 1.178 103 W HN 0.163 nan 8.180 nan 0.000 0.560 104 S N 3.064 118.606 115.700 -0.264 0.000 2.558 104 S HA 0.110 4.577 4.470 -0.004 0.000 0.293 104 S C 0.198 174.617 174.600 -0.302 0.000 1.292 104 S CA -0.098 57.856 58.200 -0.411 0.000 1.063 104 S CB 0.193 62.888 63.200 -0.841 0.000 0.831 104 S HN 0.369 nan 8.310 nan 0.000 0.499 105 R N 1.275 121.677 120.500 -0.163 0.000 2.807 105 R HA 0.439 4.777 4.340 -0.004 0.000 0.276 105 R C -0.283 175.977 176.300 -0.067 0.000 0.979 105 R CA -0.939 55.097 56.100 -0.107 0.000 0.928 105 R CB 1.499 31.764 30.300 -0.059 0.000 1.191 105 R HN 0.545 nan 8.270 nan 0.000 0.471 106 R N 1.517 121.982 120.500 -0.059 0.000 2.641 106 R HA 0.084 4.421 4.340 -0.004 0.000 0.269 106 R C -1.615 174.671 176.300 -0.024 0.000 1.074 106 R CA -1.485 54.596 56.100 -0.032 0.000 1.133 106 R CB 0.197 30.475 30.300 -0.038 0.000 1.029 106 R HN 0.349 nan 8.270 nan 0.000 0.488 107 P HA -0.224 nan 4.420 nan 0.000 0.216 107 P C 0.285 177.579 177.300 -0.011 0.000 1.154 107 P CA 1.589 64.683 63.100 -0.010 0.000 0.865 107 P CB 0.024 31.720 31.700 -0.006 0.000 0.789 108 D N -2.191 118.201 120.400 -0.014 0.000 2.351 108 D HA -0.017 4.621 4.640 -0.004 0.000 0.216 108 D C 1.491 177.782 176.300 -0.015 0.000 0.968 108 D CA 1.268 55.259 54.000 -0.014 0.000 0.899 108 D CB -1.003 39.787 40.800 -0.016 0.000 0.907 108 D HN 0.293 nan 8.370 nan 0.000 0.514 109 G N -0.837 107.952 108.800 -0.019 0.000 2.213 109 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.236 109 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.236 109 G C 0.425 175.309 174.900 -0.028 0.000 0.991 109 G CA 0.146 45.235 45.100 -0.018 0.000 0.629 109 G HN 0.482 nan 8.290 nan 0.000 0.517 110 S N 0.482 116.158 115.700 -0.041 0.000 2.579 110 S HA 0.489 4.957 4.470 -0.004 0.000 0.275 110 S C 0.980 175.513 174.600 -0.112 0.000 1.345 110 S CA -0.079 58.081 58.200 -0.067 0.000 1.031 110 S CB 1.868 65.026 63.200 -0.070 0.000 0.892 110 S HN 1.698 nan 8.310 nan 0.000 0.529 111 V N 0.651 120.453 119.914 -0.185 0.000 2.843 111 V HA 0.372 4.490 4.120 -0.004 0.000 0.305 111 V C 0.127 176.017 176.094 -0.341 0.000 1.065 111 V CA -0.640 61.476 62.300 -0.307 0.000 1.116 111 V CB 0.440 31.913 31.823 -0.583 0.000 0.968 111 V HN 0.787 nan 8.190 nan 0.000 0.487 112 N N 2.334 120.863 118.700 -0.285 0.000 2.361 112 N HA 0.707 5.445 4.740 -0.004 0.000 0.302 112 N C -0.856 174.690 175.510 0.060 0.000 1.074 112 N CA -0.253 52.737 53.050 -0.101 0.000 0.850 112 N CB 1.945 40.468 38.487 0.060 0.000 1.228 112 N HN 1.046 nan 8.380 nan 0.000 0.491 113 V N 0.797 120.754 119.914 0.072 0.000 2.823 113 V HA 0.773 4.891 4.120 -0.004 0.000 0.312 113 V C -0.493 175.584 176.094 -0.028 0.000 1.072 113 V CA -1.074 61.281 62.300 0.091 0.000 0.937 113 V CB 1.626 33.341 31.823 -0.179 0.000 1.013 113 V HN 0.780 nan 8.190 nan 0.000 0.430 114 R N 2.658 123.006 120.500 -0.255 0.000 2.637 114 R HA 0.638 4.975 4.340 -0.004 0.000 0.291 114 R C -0.262 176.048 176.300 0.017 0.000 0.963 114 R CA -0.864 55.065 56.100 -0.285 0.000 0.901 114 R CB 2.045 31.946 30.300 -0.666 0.000 1.160 114 R HN 0.893 nan 8.270 nan 0.000 0.457 115 R N 2.476 122.985 120.500 0.014 0.000 2.570 115 R HA 0.120 4.457 4.340 -0.004 0.000 0.277 115 R C -1.304 175.086 176.300 0.150 0.000 1.039 115 R CA 0.487 56.624 56.100 0.060 0.000 1.065 115 R CB 0.353 30.632 30.300 -0.034 0.000 0.964 115 R HN 0.577 nan 8.270 nan 0.000 0.428 116 F N 0.473 120.392 119.950 -0.052 0.000 2.613 116 F HA 0.337 4.861 4.527 -0.004 0.000 0.310 116 F C 0.560 176.353 175.800 -0.011 0.000 1.085 116 F CA 0.007 57.995 58.000 -0.020 0.000 0.945 116 F CB 2.296 41.300 39.000 0.007 0.000 1.298 116 F HN 0.747 nan 8.300 nan 0.000 0.455 117 G N 1.434 110.300 108.800 0.111 0.000 2.338 117 G HA2 0.129 4.086 3.960 -0.004 0.000 0.296 117 G HA3 0.129 4.086 3.960 -0.004 0.000 0.296 117 G C 0.894 175.819 174.900 0.042 0.000 1.040 117 G CA 0.772 45.923 45.100 0.084 0.000 1.004 117 G HN 2.056 nan 8.290 nan 0.000 0.509 118 G N -1.207 107.599 108.800 0.011 0.000 2.341 118 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.292 118 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.292 118 G C 0.361 175.275 174.900 0.023 0.000 1.021 118 G CA 0.994 46.104 45.100 0.017 0.000 0.905 118 G HN 1.289 nan 8.290 nan 0.000 0.508 119 M N -0.730 118.876 119.600 0.010 0.000 2.129 119 M HA 0.367 4.845 4.480 -0.004 0.000 0.348 119 M C 1.346 177.632 176.300 -0.023 0.000 1.116 119 M CA -0.596 54.702 55.300 -0.003 0.000 1.022 119 M CB 1.743 34.323 32.600 -0.032 0.000 1.599 119 M HN 0.117 nan 8.290 nan 0.000 0.449 120 K N 2.563 122.949 120.400 -0.022 0.000 2.103 120 K HA -0.049 4.269 4.320 -0.004 0.000 0.207 120 K C 0.383 176.942 176.600 -0.068 0.000 1.048 120 K CA 1.032 57.294 56.287 -0.042 0.000 0.930 120 K CB 0.297 32.772 32.500 -0.041 0.000 0.716 120 K HN 0.541 nan 8.250 nan 0.000 0.444 121 I N 3.235 123.741 120.570 -0.106 0.000 2.342 121 I HA 0.002 4.170 4.170 -0.004 0.000 0.291 121 I C 0.101 176.153 176.117 -0.108 0.000 1.010 121 I CA -0.363 60.847 61.300 -0.149 0.000 1.308 121 I CB 1.167 39.005 38.000 -0.270 0.000 1.400 121 I HN 0.233 nan 8.210 nan 0.000 0.488 122 E N 8.023 128.174 120.200 -0.080 0.000 1.852 122 E HA 0.038 4.386 4.350 -0.004 0.000 0.276 122 E C 0.506 177.079 176.600 -0.046 0.000 1.163 122 E CA -0.381 55.991 56.400 -0.045 0.000 1.117 122 E CB -0.254 29.425 29.700 -0.034 0.000 1.124 122 E HN 0.716 nan 8.360 nan 0.000 0.458 123 R N 0.852 121.328 120.500 -0.041 0.000 2.388 123 R HA 0.152 4.490 4.340 -0.004 0.000 0.247 123 R C -0.387 175.991 176.300 0.131 0.000 0.931 123 R CA -0.370 55.733 56.100 0.005 0.000 1.082 123 R CB 0.025 30.296 30.300 -0.048 0.000 1.135 123 R HN -0.033 nan 8.270 nan 0.000 0.525 124 T N 2.054 116.669 114.554 0.102 0.000 2.761 124 T HA 0.115 4.462 4.350 -0.004 0.000 0.296 124 T C -0.963 173.860 174.700 0.206 0.000 0.934 124 T CA -0.203 61.981 62.100 0.140 0.000 1.091 124 T CB 0.237 69.133 68.868 0.046 0.000 0.896 124 T HN 0.192 nan 8.240 nan 0.000 0.515 125 W N 5.104 126.339 121.300 -0.108 0.000 2.272 125 W HA 0.530 5.188 4.660 -0.004 0.000 0.318 125 W C -0.095 176.480 176.519 0.093 0.000 1.255 125 W CA -1.173 56.074 57.345 -0.162 0.000 1.200 125 W CB -0.051 28.994 29.460 -0.693 0.000 1.170 125 W HN 0.596 nan 8.180 nan 0.000 0.549 126 F N 0.627 120.665 119.950 0.148 0.000 2.588 126 F HA 0.775 5.300 4.527 -0.004 0.000 0.314 126 F C -0.695 175.345 175.800 0.400 0.000 1.134 126 F CA -1.764 56.399 58.000 0.271 0.000 0.961 126 F CB 1.058 40.117 39.000 0.098 0.000 1.239 126 F HN 0.360 nan 8.300 nan 0.000 0.448 127 A N 4.143 127.132 122.820 0.281 0.000 2.511 127 A HA 0.807 5.124 4.320 -0.004 0.000 0.340 127 A C 0.615 178.125 177.584 -0.124 0.000 1.396 127 A CA -0.075 51.911 52.037 -0.085 0.000 0.887 127 A CB -0.463 18.361 19.000 -0.292 0.000 1.145 127 A HN 2.536 nan 8.150 nan 0.000 0.497 128 A N 2.213 124.983 122.820 -0.084 0.000 6.624 128 A HA -0.157 4.161 4.320 -0.004 0.000 0.256 128 A C 0.819 178.505 177.584 0.170 0.000 2.105 128 A CA 0.941 53.009 52.037 0.053 0.000 0.727 128 A CB -0.921 18.044 19.000 -0.057 0.000 1.026 128 A HN 1.728 nan 8.150 nan 0.000 0.385 129 D N -0.498 120.005 120.400 0.171 0.000 2.332 129 D HA 0.085 4.722 4.640 -0.004 0.000 0.244 129 D C 0.685 177.073 176.300 0.147 0.000 1.136 129 D CA 1.078 55.204 54.000 0.210 0.000 0.884 129 D CB -0.119 40.833 40.800 0.253 0.000 0.906 129 D HN 0.571 nan 8.370 nan 0.000 0.520 130 K N -0.265 120.181 120.400 0.076 0.000 2.593 130 K HA 0.137 4.454 4.320 -0.004 0.000 0.208 130 K C 0.800 177.536 176.600 0.228 0.000 1.051 130 K CA -0.116 56.215 56.287 0.074 0.000 1.111 130 K CB 0.503 33.002 32.500 -0.003 0.000 0.849 130 K HN -0.011 nan 8.250 nan 0.000 0.479 131 T N -0.239 114.428 114.554 0.187 0.000 2.720 131 T HA -0.162 4.185 4.350 -0.004 0.000 0.268 131 T C 1.862 176.707 174.700 0.241 0.000 1.037 131 T CA 1.788 64.019 62.100 0.219 0.000 1.144 131 T CB -0.157 68.888 68.868 0.295 0.000 0.864 131 T HN 0.505 nan 8.240 nan 0.000 0.444 132 G N 0.637 109.569 108.800 0.221 0.000 2.418 132 G HA2 -0.190 3.767 3.960 -0.004 0.000 0.217 132 G HA3 -0.190 3.767 3.960 -0.004 0.000 0.217 132 G C 1.348 176.366 174.900 0.197 0.000 1.158 132 G CA 0.615 45.828 45.100 0.188 0.000 0.771 132 G HN 0.506 nan 8.290 nan 0.000 0.545 133 F N 1.223 121.218 119.950 0.076 0.000 2.069 133 F HA -0.108 4.417 4.527 -0.004 0.000 0.298 133 F C 2.487 178.314 175.800 0.044 0.000 1.113 133 F CA 1.978 59.999 58.000 0.036 0.000 1.214 133 F CB -0.266 38.683 39.000 -0.085 0.000 0.978 133 F HN 0.233 nan 8.300 nan 0.000 0.474 134 H N -0.726 118.397 119.070 0.089 0.000 2.563 134 H HA 0.043 4.597 4.556 -0.004 0.000 0.272 134 H C 1.797 177.046 175.328 -0.132 0.000 1.005 134 H CA 1.226 57.235 56.048 -0.065 0.000 1.171 134 H CB -0.088 29.637 29.762 -0.063 0.000 1.351 134 H HN 0.365 nan 8.280 nan 0.000 0.602 135 M N -1.483 118.144 119.600 0.046 0.000 2.718 135 M HA -0.004 4.474 4.480 -0.004 0.000 0.259 135 M C 1.758 178.096 176.300 0.063 0.000 1.240 135 M CA 0.331 55.667 55.300 0.060 0.000 1.210 135 M CB 0.084 32.773 32.600 0.149 0.000 1.281 135 M HN 0.256 nan 8.290 nan 0.000 0.515 136 L N 0.478 121.723 121.223 0.037 0.000 1.990 136 L HA -0.240 4.097 4.340 -0.004 0.000 0.213 136 L C 2.169 179.006 176.870 -0.055 0.000 1.072 136 L CA 2.286 57.127 54.840 0.001 0.000 0.755 136 L CB -0.866 41.177 42.059 -0.027 0.000 0.889 136 L HN 0.268 nan 8.230 nan 0.000 0.432 137 H N -1.320 117.588 119.070 -0.270 0.000 2.387 137 H HA -0.100 4.454 4.556 -0.004 0.000 0.299 137 H C 2.116 177.390 175.328 -0.091 0.000 1.090 137 H CA 1.920 57.813 56.048 -0.257 0.000 1.332 137 H CB -0.489 28.899 29.762 -0.622 0.000 1.386 137 H HN 0.376 nan 8.280 nan 0.000 0.516 138 T N 0.641 115.206 114.554 0.019 0.000 2.746 138 T HA -0.135 4.213 4.350 -0.004 0.000 0.267 138 T C 2.194 176.923 174.700 0.049 0.000 1.039 138 T CA 1.238 63.366 62.100 0.047 0.000 1.142 138 T CB -0.330 68.583 68.868 0.075 0.000 0.866 138 T HN 0.179 nan 8.240 nan 0.000 0.444 139 L N -0.154 121.112 121.223 0.073 0.000 2.005 139 L HA -0.001 4.336 4.340 -0.004 0.000 0.207 139 L C 2.322 179.157 176.870 -0.059 0.000 1.072 139 L CA 1.445 56.297 54.840 0.021 0.000 0.744 139 L CB -0.630 41.489 42.059 0.100 0.000 0.895 139 L HN 0.184 nan 8.230 nan 0.000 0.433 140 F N 0.895 120.768 119.950 -0.129 0.000 2.126 140 F HA -0.285 4.239 4.527 -0.004 0.000 0.299 140 F C 2.534 178.251 175.800 -0.140 0.000 1.096 140 F CA 1.762 59.677 58.000 -0.141 0.000 1.255 140 F CB -0.265 38.615 39.000 -0.201 0.000 0.997 140 F HN 0.049 nan 8.300 nan 0.000 0.479 141 Q N -0.553 119.048 119.800 -0.332 0.000 2.172 141 Q HA -0.118 4.219 4.340 -0.004 0.000 0.200 141 Q C 2.081 177.840 176.000 -0.401 0.000 0.964 141 Q CA 1.990 57.549 55.803 -0.406 0.000 0.855 141 Q CB -0.232 28.428 28.738 -0.131 0.000 0.918 141 Q HN 0.384 nan 8.270 nan 0.000 0.444 142 T N -0.300 114.034 114.554 -0.367 0.000 2.821 142 T HA -0.165 4.183 4.350 -0.004 0.000 0.267 142 T C 1.877 176.355 174.700 -0.370 0.000 1.046 142 T CA 1.304 63.122 62.100 -0.471 0.000 1.139 142 T CB -0.320 68.080 68.868 -0.780 0.000 0.871 142 T HN 0.340 nan 8.240 nan 0.000 0.454 143 S N 1.232 116.741 115.700 -0.319 0.000 2.400 143 S HA -0.053 4.415 4.470 -0.004 0.000 0.232 143 S C 2.040 176.506 174.600 -0.224 0.000 1.025 143 S CA 0.809 58.901 58.200 -0.179 0.000 0.993 143 S CB -0.605 62.475 63.200 -0.200 0.000 0.808 143 S HN 0.483 nan 8.310 nan 0.000 0.478 144 L N 1.030 121.986 121.223 -0.445 0.000 2.141 144 L HA -0.113 4.225 4.340 -0.004 0.000 0.209 144 L C 2.976 179.683 176.870 -0.271 0.000 1.094 144 L CA 1.712 56.325 54.840 -0.379 0.000 0.763 144 L CB -0.687 41.094 42.059 -0.464 0.000 0.908 144 L HN 0.540 nan 8.230 nan 0.000 0.437 145 Q N 0.699 120.285 119.800 -0.357 0.000 2.112 145 Q HA -0.194 4.144 4.340 -0.004 0.000 0.206 145 Q C 0.192 175.926 176.000 -0.444 0.000 0.987 145 Q CA 1.356 56.879 55.803 -0.466 0.000 0.858 145 Q CB -0.092 28.210 28.738 -0.727 0.000 0.905 145 Q HN 0.308 nan 8.270 nan 0.000 0.420 146 F N 0.891 120.745 119.950 -0.160 0.000 2.438 146 F HA 0.197 4.722 4.527 -0.004 0.000 0.356 146 F C -1.577 174.167 175.800 -0.093 0.000 1.099 146 F CA -2.307 55.626 58.000 -0.113 0.000 1.185 146 F CB 0.990 39.923 39.000 -0.111 0.000 1.115 146 F HN 0.109 nan 8.300 nan 0.000 0.526 147 P HA -0.123 nan 4.420 nan 0.000 0.220 147 P C 0.988 178.316 177.300 0.046 0.000 1.152 147 P CA 1.155 64.277 63.100 0.036 0.000 0.812 147 P CB 0.193 31.907 31.700 0.023 0.000 0.792 148 Q N -0.163 119.681 119.800 0.072 0.000 2.084 148 Q HA -0.068 4.269 4.340 -0.004 0.000 0.202 148 Q C 0.517 176.538 176.000 0.035 0.000 0.978 148 Q CA 0.803 56.633 55.803 0.046 0.000 0.844 148 Q CB -1.228 27.530 28.738 0.034 0.000 0.898 148 Q HN 0.236 nan 8.270 nan 0.000 0.426 149 I N 1.676 122.268 120.570 0.037 0.000 2.662 149 I HA -0.029 4.138 4.170 -0.004 0.000 0.285 149 I C 0.104 176.232 176.117 0.019 0.000 1.161 149 I CA 0.179 61.495 61.300 0.026 0.000 1.415 149 I CB -0.113 37.901 38.000 0.022 0.000 1.385 149 I HN 0.057 nan 8.210 nan 0.000 0.552 150 Q N 7.126 126.947 119.800 0.034 0.000 2.309 150 Q HA 0.627 4.965 4.340 -0.004 0.000 0.264 150 Q C -1.106 174.883 176.000 -0.019 0.000 1.008 150 Q CA -0.538 55.238 55.803 -0.046 0.000 0.853 150 Q CB 1.392 30.102 28.738 -0.046 0.000 1.314 150 Q HN 0.536 nan 8.270 nan 0.000 0.448 151 R N 3.247 123.639 120.500 -0.179 0.000 2.621 151 R HA 0.480 4.818 4.340 -0.004 0.000 0.292 151 R C -0.873 175.302 176.300 -0.208 0.000 0.969 151 R CA -0.507 55.587 56.100 -0.010 0.000 0.887 151 R CB 1.438 31.789 30.300 0.085 0.000 1.180 151 R HN 0.608 nan 8.270 nan 0.000 0.450 152 F N 1.669 121.634 119.950 0.024 0.000 2.389 152 F HA 0.223 4.747 4.527 -0.005 0.000 0.327 152 F C -0.103 175.779 175.800 0.137 0.000 1.204 152 F CA -1.108 56.958 58.000 0.111 0.000 1.209 152 F CB 0.706 39.680 39.000 -0.043 0.000 1.460 152 F HN 0.270 nan 8.300 nan 0.000 0.537 153 D N 1.827 122.314 120.400 0.145 0.000 2.423 153 D HA -0.025 4.612 4.640 -0.004 0.000 0.238 153 D C 0.617 176.768 176.300 -0.248 0.000 1.142 153 D CA 0.408 54.351 54.000 -0.095 0.000 0.884 153 D CB 0.523 41.242 40.800 -0.135 0.000 1.199 153 D HN 0.518 nan 8.370 nan 0.000 0.438 154 E N 0.554 120.526 120.200 -0.380 0.000 2.210 154 E HA -0.249 4.098 4.350 -0.004 0.000 0.201 154 E C -0.499 176.006 176.600 -0.158 0.000 1.339 154 E CA 0.662 56.910 56.400 -0.253 0.000 0.699 154 E CB -1.047 28.488 29.700 -0.275 0.000 1.126 154 E HN 0.423 nan 8.360 nan 0.000 0.355 155 H N 0.126 119.199 119.070 0.004 0.000 2.658 155 H HA 0.285 4.839 4.556 -0.004 0.000 0.337 155 H C -1.045 174.348 175.328 0.108 0.000 1.009 155 H CA -0.745 55.334 56.048 0.051 0.000 1.231 155 H CB 0.851 30.645 29.762 0.053 0.000 1.508 155 H HN 0.096 nan 8.280 nan 0.000 0.517 156 F N 5.620 125.602 119.950 0.052 0.000 2.361 156 F HA 0.191 4.716 4.527 -0.004 0.000 0.364 156 F C 0.183 175.965 175.800 -0.030 0.000 1.120 156 F CA -1.088 56.896 58.000 -0.026 0.000 1.102 156 F CB 0.382 39.326 39.000 -0.093 0.000 1.183 156 F HN 0.253 nan 8.300 nan 0.000 0.476 157 V N 6.264 125.961 119.914 -0.362 0.000 2.763 157 V HA 0.144 4.261 4.120 -0.004 0.000 0.306 157 V C 0.223 175.922 176.094 -0.658 0.000 1.059 157 V CA 0.082 62.138 62.300 -0.406 0.000 1.138 157 V CB 1.155 32.828 31.823 -0.251 0.000 0.940 157 V HN 0.971 nan 8.190 nan 0.000 0.489 158 L N 1.666 122.673 121.223 -0.360 0.000 3.039 158 L HA 0.587 4.924 4.340 -0.004 0.000 0.269 158 L C 0.023 176.838 176.870 -0.092 0.000 1.169 158 L CA 0.389 55.067 54.840 -0.271 0.000 0.986 158 L CB 0.436 42.383 42.059 -0.187 0.000 1.377 158 L HN 1.015 nan 8.230 nan 0.000 0.575 159 D N -0.729 119.625 120.400 -0.077 0.000 2.807 159 D HA 0.307 4.944 4.640 -0.004 0.000 0.279 159 D C -1.316 174.972 176.300 -0.021 0.000 1.247 159 D CA -0.333 53.675 54.000 0.013 0.000 0.749 159 D CB 1.554 42.387 40.800 0.055 0.000 1.264 159 D HN 0.054 nan 8.370 nan 0.000 0.421 160 I N -1.394 119.172 120.570 -0.007 0.000 2.750 160 I HA 0.625 4.792 4.170 -0.004 0.000 0.308 160 I C -0.575 175.430 176.117 -0.186 0.000 1.016 160 I CA -1.027 60.173 61.300 -0.168 0.000 1.098 160 I CB 1.769 39.589 38.000 -0.301 0.000 1.279 160 I HN 0.191 nan 8.210 nan 0.000 0.454 161 L N 4.889 126.023 121.223 -0.149 0.000 2.280 161 L HA 0.655 4.993 4.340 -0.004 0.000 0.287 161 L C -0.823 175.986 176.870 -0.101 0.000 1.023 161 L CA -0.818 53.976 54.840 -0.077 0.000 0.819 161 L CB 1.466 43.504 42.059 -0.035 0.000 1.212 161 L HN 0.392 nan 8.230 nan 0.000 0.420 162 V N 1.700 121.574 119.914 -0.068 0.000 2.577 162 V HA 0.446 4.563 4.120 -0.004 0.000 0.303 162 V C -1.065 175.043 176.094 0.024 0.000 1.042 162 V CA -0.465 61.810 62.300 -0.041 0.000 0.872 162 V CB 2.239 34.011 31.823 -0.086 0.000 0.998 162 V HN 0.747 nan 8.190 nan 0.000 0.423 163 D N 2.664 123.084 120.400 0.034 0.000 2.780 163 D HA 0.498 5.135 4.640 -0.004 0.000 0.242 163 D C -0.186 176.141 176.300 0.046 0.000 1.135 163 D CA -0.156 53.866 54.000 0.036 0.000 0.859 163 D CB 1.925 42.740 40.800 0.025 0.000 1.530 163 D HN 0.609 nan 8.370 nan 0.000 0.493 164 D N 2.742 123.163 120.400 0.035 0.000 2.772 164 D HA -0.119 4.518 4.640 -0.004 0.000 0.233 164 D C 0.939 177.271 176.300 0.053 0.000 1.143 164 D CA 2.012 56.032 54.000 0.033 0.000 0.700 164 D CB -1.039 39.774 40.800 0.022 0.000 1.076 164 D HN 0.971 nan 8.370 nan 0.000 0.430 165 G N -0.166 108.662 108.800 0.046 0.000 2.168 165 G HA2 -0.347 3.610 3.960 -0.004 0.000 0.257 165 G HA3 -0.347 3.610 3.960 -0.004 0.000 0.257 165 G C 0.041 174.973 174.900 0.053 0.000 0.997 165 G CA 0.577 45.698 45.100 0.036 0.000 0.708 165 G HN 0.707 nan 8.290 nan 0.000 0.520 166 H N -0.824 118.228 119.070 -0.030 0.000 2.609 166 H HA 0.469 5.024 4.556 -0.003 0.000 0.344 166 H C -0.155 175.146 175.328 -0.045 0.000 1.040 166 H CA -0.493 55.533 56.048 -0.036 0.000 1.216 166 H CB 2.083 31.831 29.762 -0.023 0.000 1.529 166 H HN 0.135 nan 8.280 nan 0.000 0.519 167 V N 5.988 125.826 119.914 -0.128 0.000 2.585 167 V HA 0.096 4.213 4.120 -0.004 0.000 0.296 167 V C 0.617 176.728 176.094 0.029 0.000 1.035 167 V CA 0.506 62.753 62.300 -0.088 0.000 1.084 167 V CB 0.372 32.108 31.823 -0.147 0.000 0.953 167 V HN 0.772 nan 8.190 nan 0.000 0.483 168 R N 4.635 125.140 120.500 0.008 0.000 2.659 168 R HA 0.434 4.772 4.340 -0.004 0.000 0.418 168 R C 0.310 176.613 176.300 0.004 0.000 1.076 168 R CA 0.453 56.576 56.100 0.038 0.000 1.093 168 R CB 0.940 31.266 30.300 0.043 0.000 1.400 168 R HN 1.034 nan 8.270 nan 0.000 0.583 169 G N 0.887 109.675 108.800 -0.021 0.000 2.315 169 G HA2 0.058 4.016 3.960 -0.004 0.000 0.296 169 G HA3 0.058 4.016 3.960 -0.004 0.000 0.296 169 G C -1.871 172.988 174.900 -0.069 0.000 1.289 169 G CA -0.795 44.283 45.100 -0.037 0.000 0.996 169 G HN 0.124 nan 8.290 nan 0.000 0.487 170 L N -3.267 117.905 121.223 -0.085 0.000 2.469 170 L HA 0.956 5.294 4.340 -0.004 0.000 0.256 170 L C -0.677 176.126 176.870 -0.111 0.000 1.006 170 L CA -1.311 53.465 54.840 -0.107 0.000 0.832 170 L CB 1.910 43.889 42.059 -0.133 0.000 1.421 170 L HN 0.821 nan 8.230 nan 0.000 0.410 171 V N 1.327 121.178 119.914 -0.105 0.000 2.409 171 V HA 0.952 5.069 4.120 -0.004 0.000 0.291 171 V C 0.186 176.200 176.094 -0.134 0.000 1.020 171 V CA 0.185 62.425 62.300 -0.099 0.000 0.848 171 V CB 1.094 32.883 31.823 -0.057 0.000 0.990 171 V HN 1.196 nan 8.190 nan 0.000 0.430 172 A N 5.451 128.183 122.820 -0.148 0.000 2.430 172 A HA 0.959 5.276 4.320 -0.004 0.000 0.300 172 A C -0.709 176.851 177.584 -0.040 0.000 1.124 172 A CA -0.771 51.183 52.037 -0.138 0.000 0.766 172 A CB 1.973 20.854 19.000 -0.200 0.000 1.328 172 A HN 0.918 nan 8.150 nan 0.000 0.424 173 M N 2.160 121.789 119.600 0.048 0.000 2.205 173 M HA 0.306 4.783 4.480 -0.004 0.000 0.344 173 M C -0.431 176.045 176.300 0.293 0.000 1.085 173 M CA -0.455 54.919 55.300 0.122 0.000 1.001 173 M CB 0.872 33.510 32.600 0.062 0.000 1.626 173 M HN 0.799 nan 8.290 nan 0.000 0.442 174 N N 4.877 123.774 118.700 0.329 0.000 2.440 174 N HA 0.027 4.765 4.740 -0.004 0.000 0.265 174 N C 0.480 175.944 175.510 -0.076 0.000 1.239 174 N CA 0.257 53.333 53.050 0.043 0.000 0.909 174 N CB 0.739 39.330 38.487 0.174 0.000 1.066 174 N HN 0.902 nan 8.380 nan 0.000 0.474 175 M N 2.893 122.384 119.600 -0.182 0.000 2.099 175 M HA -0.163 4.315 4.480 -0.004 0.000 0.262 175 M C 2.045 178.389 176.300 0.073 0.000 1.067 175 M CA 1.511 56.763 55.300 -0.080 0.000 1.124 175 M CB -0.057 32.496 32.600 -0.078 0.000 1.353 175 M HN 0.607 nan 8.290 nan 0.000 0.410 176 M N -0.283 119.367 119.600 0.084 0.000 2.098 176 M HA -0.113 4.364 4.480 -0.004 0.000 0.262 176 M C 2.061 178.400 176.300 0.065 0.000 1.072 176 M CA 1.572 56.945 55.300 0.122 0.000 1.133 176 M CB -1.036 31.585 32.600 0.035 0.000 1.344 176 M HN 0.136 nan 8.290 nan 0.000 0.414 177 E N -0.305 119.912 120.200 0.028 0.000 2.106 177 E HA -0.053 4.295 4.350 -0.004 0.000 0.192 177 E C 1.475 178.101 176.600 0.043 0.000 0.984 177 E CA 1.182 57.608 56.400 0.044 0.000 0.806 177 E CB -0.288 29.452 29.700 0.066 0.000 0.750 177 E HN 0.685 nan 8.360 nan 0.000 0.458 178 G N 1.445 110.266 108.800 0.035 0.000 2.159 178 G HA2 -0.278 3.680 3.960 -0.004 0.000 0.256 178 G HA3 -0.278 3.680 3.960 -0.004 0.000 0.256 178 G C 0.498 175.419 174.900 0.036 0.000 0.977 178 G CA 0.867 45.981 45.100 0.022 0.000 0.652 178 G HN 0.404 nan 8.290 nan 0.000 0.531 179 T N -0.608 113.984 114.554 0.064 0.000 2.799 179 T HA 0.714 5.061 4.350 -0.004 0.000 0.286 179 T C 0.494 175.251 174.700 0.096 0.000 0.973 179 T CA -1.087 61.059 62.100 0.076 0.000 1.035 179 T CB 2.254 71.178 68.868 0.094 0.000 0.932 179 T HN 0.221 nan 8.240 nan 0.000 0.469 180 L N 3.296 124.559 121.223 0.066 0.000 2.467 180 L HA 0.433 4.771 4.340 -0.004 0.000 0.270 180 L C 0.204 177.114 176.870 0.068 0.000 1.205 180 L CA 0.068 54.940 54.840 0.054 0.000 0.828 180 L CB 0.783 42.859 42.059 0.027 0.000 1.101 180 L HN 0.680 nan 8.230 nan 0.000 0.479 181 V N 2.146 122.081 119.914 0.034 0.000 3.078 181 V HA 0.479 4.597 4.120 -0.004 0.000 0.311 181 V C -0.508 175.582 176.094 -0.007 0.000 1.138 181 V CA -0.963 61.357 62.300 0.034 0.000 1.007 181 V CB 2.361 34.151 31.823 -0.055 0.000 1.045 181 V HN 0.685 nan 8.190 nan 0.000 0.432 182 Q N 1.763 121.593 119.800 0.050 0.000 2.310 182 Q HA 0.614 4.952 4.340 -0.004 0.000 0.270 182 Q C -1.816 174.206 176.000 0.036 0.000 1.025 182 Q CA -0.645 55.169 55.803 0.018 0.000 0.772 182 Q CB 2.433 31.191 28.738 0.034 0.000 1.253 182 Q HN 0.607 nan 8.270 nan 0.000 0.450 183 I N 3.354 123.886 120.570 -0.063 0.000 2.378 183 I HA 0.327 4.495 4.170 -0.004 0.000 0.291 183 I C -0.356 175.740 176.117 -0.035 0.000 0.992 183 I CA -0.471 60.785 61.300 -0.073 0.000 1.154 183 I CB 1.070 38.912 38.000 -0.264 0.000 1.315 183 I HN 0.215 nan 8.210 nan 0.000 0.448 184 R N 5.258 125.767 120.500 0.014 0.000 2.338 184 R HA 0.915 5.253 4.340 -0.004 0.000 0.317 184 R C -0.880 175.429 176.300 0.015 0.000 0.968 184 R CA -0.827 55.280 56.100 0.011 0.000 0.849 184 R CB 1.614 31.926 30.300 0.021 0.000 1.128 184 R HN 0.716 nan 8.270 nan 0.000 0.448 185 A N 2.121 124.947 122.820 0.009 0.000 2.594 185 A HA 0.368 4.685 4.320 -0.004 0.000 0.295 185 A C -0.177 177.432 177.584 0.041 0.000 1.071 185 A CA -0.737 51.313 52.037 0.020 0.000 0.685 185 A CB 1.399 20.402 19.000 0.006 0.000 1.285 185 A HN 0.578 nan 8.150 nan 0.000 0.405 186 N N 0.172 118.909 118.700 0.062 0.000 2.398 186 N HA 0.295 5.032 4.740 -0.004 0.000 0.188 186 N C 0.022 175.624 175.510 0.154 0.000 1.122 186 N CA 1.198 54.321 53.050 0.120 0.000 0.866 186 N CB 0.716 39.268 38.487 0.109 0.000 0.970 186 N HN 0.913 nan 8.380 nan 0.000 0.462 187 A N 0.148 123.026 122.820 0.097 0.000 2.429 187 A HA 0.565 4.883 4.320 -0.004 0.000 0.289 187 A C -0.969 176.656 177.584 0.068 0.000 1.043 187 A CA -0.493 51.618 52.037 0.123 0.000 0.722 187 A CB 1.343 20.402 19.000 0.098 0.000 1.243 187 A HN -0.114 nan 8.150 nan 0.000 0.415 188 V N 2.911 122.893 119.914 0.113 0.000 2.448 188 V HA 0.530 4.648 4.120 -0.004 0.000 0.295 188 V C -0.184 175.997 176.094 0.145 0.000 1.025 188 V CA -0.566 61.771 62.300 0.063 0.000 0.859 188 V CB 1.598 33.425 31.823 0.005 0.000 0.988 188 V HN 0.685 nan 8.190 nan 0.000 0.431 189 V N 5.538 125.483 119.914 0.053 0.000 2.483 189 V HA 0.526 4.643 4.120 -0.004 0.000 0.295 189 V C -0.025 176.101 176.094 0.054 0.000 1.035 189 V CA -0.598 61.746 62.300 0.073 0.000 0.896 189 V CB 1.876 33.675 31.823 -0.041 0.000 0.986 189 V HN 0.717 nan 8.190 nan 0.000 0.447 190 M N 4.001 123.645 119.600 0.073 0.000 2.114 190 M HA 0.578 5.056 4.480 -0.004 0.000 0.332 190 M C -0.130 176.202 176.300 0.054 0.000 1.014 190 M CA -0.277 55.049 55.300 0.044 0.000 0.956 190 M CB 1.337 33.953 32.600 0.025 0.000 1.551 190 M HN 0.756 nan 8.290 nan 0.000 0.427 191 A N 2.508 125.360 122.820 0.053 0.000 3.355 191 A HA 0.375 4.693 4.320 -0.004 0.000 0.290 191 A C 0.654 178.278 177.584 0.067 0.000 0.973 191 A CA -0.293 51.785 52.037 0.067 0.000 0.933 191 A CB 0.157 19.204 19.000 0.078 0.000 1.138 191 A HN 0.725 nan 8.150 nan 0.000 0.490 192 T N 0.213 114.801 114.554 0.058 0.000 3.122 192 T HA 0.447 4.794 4.350 -0.004 0.000 0.250 192 T C 1.116 175.849 174.700 0.056 0.000 1.067 192 T CA 1.556 63.695 62.100 0.065 0.000 0.966 192 T CB -0.564 68.345 68.868 0.067 0.000 1.002 192 T HN 2.021 nan 8.240 nan 0.000 0.542 193 G N -0.011 108.820 108.800 0.051 0.000 2.693 193 G HA2 0.018 3.975 3.960 -0.004 0.000 0.226 193 G HA3 0.018 3.975 3.960 -0.004 0.000 0.226 193 G C 0.257 175.143 174.900 -0.022 0.000 1.354 193 G CA -0.639 44.483 45.100 0.037 0.000 0.873 193 G HN 0.649 nan 8.290 nan 0.000 0.562 194 G N -1.604 107.154 108.800 -0.071 0.000 2.553 194 G HA2 0.656 4.614 3.960 -0.004 0.000 0.278 194 G HA3 0.656 4.614 3.960 -0.004 0.000 0.278 194 G C 0.891 175.720 174.900 -0.118 0.000 1.349 194 G CA 0.896 45.902 45.100 -0.156 0.000 1.037 194 G HN 2.092 nan 8.290 nan 0.000 0.508 195 A N -1.083 121.655 122.820 -0.136 0.000 2.589 195 A HA 0.523 4.841 4.320 -0.004 0.000 0.283 195 A C 1.973 179.497 177.584 -0.100 0.000 1.187 195 A CA 0.953 52.928 52.037 -0.103 0.000 0.957 195 A CB 0.017 18.955 19.000 -0.103 0.000 1.175 195 A HN 1.040 nan 8.150 nan 0.000 0.532 196 G N 0.742 109.480 108.800 -0.104 0.000 2.505 196 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.220 196 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.220 196 G C 1.534 176.418 174.900 -0.028 0.000 1.145 196 G CA 0.798 45.865 45.100 -0.054 0.000 0.761 196 G HN 0.462 nan 8.290 nan 0.000 0.571 197 R N 0.022 120.479 120.500 -0.072 0.000 2.303 197 R HA -0.013 4.325 4.340 -0.004 0.000 0.225 197 R C 2.529 178.785 176.300 -0.074 0.000 1.114 197 R CA 0.587 56.648 56.100 -0.065 0.000 1.007 197 R CB -0.553 29.704 30.300 -0.071 0.000 0.861 197 R HN 0.380 nan 8.270 nan 0.000 0.471 198 V N 0.385 120.231 119.914 -0.113 0.000 2.332 198 V HA -0.235 3.882 4.120 -0.004 0.000 0.248 198 V C 0.975 176.924 176.094 -0.242 0.000 1.055 198 V CA 1.413 63.592 62.300 -0.201 0.000 1.038 198 V CB -0.442 31.207 31.823 -0.290 0.000 0.651 198 V HN 0.170 nan 8.190 nan 0.000 0.450 199 Y N -0.378 119.857 120.300 -0.108 0.000 2.397 199 Y HA 0.091 4.639 4.550 -0.004 0.000 0.335 199 Y C 1.737 177.544 175.900 -0.156 0.000 1.213 199 Y CA 0.198 58.232 58.100 -0.111 0.000 1.391 199 Y CB 0.283 38.679 38.460 -0.106 0.000 1.293 199 Y HN -0.094 nan 8.280 nan 0.000 0.557 200 R N 1.584 122.057 120.500 -0.045 0.000 2.081 200 R HA -0.123 4.214 4.340 -0.004 0.000 0.235 200 R C -0.767 175.286 176.300 -0.412 0.000 1.131 200 R CA 1.340 57.239 56.100 -0.335 0.000 0.960 200 R CB -0.041 29.919 30.300 -0.567 0.000 0.856 200 R HN 0.688 nan 8.270 nan 0.000 0.436 201 Y N 0.741 121.062 120.300 0.036 0.000 2.328 201 Y HA 0.274 4.822 4.550 -0.004 0.000 0.333 201 Y C -0.494 175.378 175.900 -0.047 0.000 0.958 201 Y CA -1.184 56.908 58.100 -0.013 0.000 1.167 201 Y CB 1.419 39.866 38.460 -0.022 0.000 1.151 201 Y HN 0.228 nan 8.280 nan 0.000 0.470 202 N N -1.835 116.925 118.700 0.101 0.000 2.732 202 N HA 0.333 5.071 4.740 -0.004 0.000 0.259 202 N C -0.113 175.420 175.510 0.039 0.000 1.402 202 N CA -0.892 52.173 53.050 0.025 0.000 0.829 202 N CB 1.364 39.850 38.487 -0.001 0.000 1.495 202 N HN 0.315 nan 8.380 nan 0.000 0.511 203 T N -3.142 111.455 114.554 0.072 0.000 3.163 203 T HA 0.252 4.600 4.350 -0.004 0.000 0.252 203 T C -0.363 174.436 174.700 0.165 0.000 1.056 203 T CA -0.207 61.980 62.100 0.146 0.000 0.947 203 T CB -1.144 67.923 68.868 0.330 0.000 1.016 203 T HN 0.505 nan 8.240 nan 0.000 0.554 204 N N 0.207 118.900 118.700 -0.011 0.000 2.430 204 N HA 0.552 5.289 4.740 -0.004 0.000 0.298 204 N C 0.072 175.467 175.510 -0.192 0.000 1.130 204 N CA -1.009 51.851 53.050 -0.317 0.000 0.894 204 N CB 1.528 39.819 38.487 -0.327 0.000 1.209 204 N HN 0.370 nan 8.380 nan 0.000 0.503 205 G N -0.746 107.878 108.800 -0.295 0.000 2.503 205 G HA2 0.230 4.187 3.960 -0.004 0.000 0.257 205 G HA3 0.230 4.187 3.960 -0.004 0.000 0.257 205 G C 1.028 175.898 174.900 -0.051 0.000 1.214 205 G CA -0.490 44.617 45.100 0.011 0.000 0.839 205 G HN 0.625 nan 8.290 nan 0.000 0.559 206 G N 0.560 109.349 108.800 -0.019 0.000 2.501 206 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.220 206 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.220 206 G C 1.607 176.475 174.900 -0.053 0.000 1.114 206 G CA 1.214 46.280 45.100 -0.056 0.000 0.757 206 G HN 0.861 nan 8.290 nan 0.000 0.559 207 I N -1.740 118.817 120.570 -0.021 0.000 2.546 207 I HA 0.092 4.260 4.170 -0.004 0.000 0.255 207 I C 0.663 176.764 176.117 -0.027 0.000 1.163 207 I CA 0.458 61.746 61.300 -0.020 0.000 1.457 207 I CB -0.064 37.947 38.000 0.019 0.000 1.092 207 I HN -0.142 nan 8.210 nan 0.000 0.434 208 V N 3.148 123.029 119.914 -0.055 0.000 2.162 208 V HA 0.121 4.238 4.120 -0.004 0.000 0.255 208 V C 0.637 176.692 176.094 -0.065 0.000 1.304 208 V CA 0.383 62.641 62.300 -0.070 0.000 1.198 208 V CB -0.341 31.390 31.823 -0.154 0.000 1.333 208 V HN 0.437 nan 8.190 nan 0.000 0.493 209 T N 0.700 115.237 114.554 -0.028 0.000 3.134 209 T HA 0.232 4.580 4.350 -0.004 0.000 0.260 209 T C 1.469 176.172 174.700 0.004 0.000 1.027 209 T CA 0.310 62.399 62.100 -0.018 0.000 0.913 209 T CB 0.391 69.260 68.868 0.002 0.000 1.046 209 T HN 0.848 nan 8.240 nan 0.000 0.553 210 G N 2.644 111.447 108.800 0.004 0.000 2.323 210 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.292 210 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.292 210 G C 0.561 175.518 174.900 0.095 0.000 1.040 210 G CA 0.315 45.425 45.100 0.016 0.000 0.942 210 G HN 0.398 nan 8.290 nan 0.000 0.506 211 D N 0.104 120.603 120.400 0.165 0.000 2.117 211 D HA -0.093 4.545 4.640 -0.004 0.000 0.197 211 D C 2.498 179.005 176.300 0.346 0.000 0.987 211 D CA 1.721 55.947 54.000 0.375 0.000 0.829 211 D CB -0.618 40.320 40.800 0.231 0.000 0.961 211 D HN 0.551 nan 8.370 nan 0.000 0.460 212 G N 0.653 109.542 108.800 0.148 0.000 2.418 212 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.217 212 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.217 212 G C 1.720 176.628 174.900 0.013 0.000 1.158 212 G CA 0.633 45.773 45.100 0.066 0.000 0.771 212 G HN 0.200 nan 8.290 nan 0.000 0.545 213 M N 0.715 120.313 119.600 -0.002 0.000 2.065 213 M HA -0.036 4.441 4.480 -0.004 0.000 0.259 213 M C 2.873 179.119 176.300 -0.091 0.000 1.069 213 M CA 1.640 56.909 55.300 -0.052 0.000 1.110 213 M CB -0.649 31.915 32.600 -0.060 0.000 1.328 213 M HN 0.283 nan 8.290 nan 0.000 0.405 214 G N 0.900 109.633 108.800 -0.112 0.000 2.448 214 G HA2 -0.202 3.755 3.960 -0.004 0.000 0.219 214 G HA3 -0.202 3.755 3.960 -0.004 0.000 0.219 214 G C 1.517 176.174 174.900 -0.404 0.000 1.127 214 G CA 1.052 45.986 45.100 -0.277 0.000 0.766 214 G HN 0.620 nan 8.290 nan 0.000 0.552 215 M N -0.408 119.007 119.600 -0.309 0.000 2.334 215 M HA 0.427 4.904 4.480 -0.004 0.000 0.266 215 M C 2.571 178.872 176.300 0.002 0.000 1.082 215 M CA 1.307 56.506 55.300 -0.168 0.000 1.141 215 M CB -0.151 32.429 32.600 -0.034 0.000 1.380 215 M HN 0.073 nan 8.290 nan 0.000 0.440 216 A N 1.194 124.002 122.820 -0.020 0.000 2.015 216 A HA -0.031 4.286 4.320 -0.004 0.000 0.219 216 A C 2.119 179.690 177.584 -0.022 0.000 1.163 216 A CA 1.122 53.161 52.037 0.003 0.000 0.646 216 A CB -0.735 18.236 19.000 -0.048 0.000 0.806 216 A HN 0.483 nan 8.150 nan 0.000 0.448 217 L N -0.218 120.955 121.223 -0.084 0.000 2.083 217 L HA -0.082 4.255 4.340 -0.004 0.000 0.209 217 L C 2.598 179.414 176.870 -0.090 0.000 1.083 217 L CA 2.175 56.954 54.840 -0.103 0.000 0.752 217 L CB -0.556 41.423 42.059 -0.133 0.000 0.899 217 L HN 0.302 nan 8.230 nan 0.000 0.433 218 S N -1.555 114.064 115.700 -0.135 0.000 2.423 218 S HA -0.114 4.354 4.470 -0.004 0.000 0.231 218 S C 1.397 175.826 174.600 -0.284 0.000 1.014 218 S CA 0.752 58.820 58.200 -0.220 0.000 0.965 218 S CB -0.423 62.592 63.200 -0.308 0.000 0.785 218 S HN 0.535 nan 8.310 nan 0.000 0.495 219 H N -0.237 118.799 119.070 -0.056 0.000 2.519 219 H HA 0.287 4.840 4.556 -0.004 0.000 0.289 219 H C 1.664 176.981 175.328 -0.019 0.000 1.040 219 H CA 0.551 56.576 56.048 -0.039 0.000 1.165 219 H CB 0.088 29.821 29.762 -0.049 0.000 1.462 219 H HN 0.516 nan 8.280 nan 0.000 0.555 220 G N 0.974 109.815 108.800 0.068 0.000 2.176 220 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.253 220 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.253 220 G C 0.441 175.415 174.900 0.125 0.000 0.979 220 G CA 0.344 45.511 45.100 0.113 0.000 0.641 220 G HN 0.230 nan 8.290 nan 0.000 0.530 221 V N 2.259 122.189 119.914 0.027 0.000 2.811 221 V HA 0.497 4.614 4.120 -0.004 0.000 0.302 221 V C -1.433 174.529 176.094 -0.221 0.000 1.063 221 V CA -0.827 61.432 62.300 -0.068 0.000 1.088 221 V CB 1.273 33.047 31.823 -0.081 0.000 0.982 221 V HN 0.282 nan 8.190 nan 0.000 0.485 222 P HA 0.435 nan 4.420 nan 0.000 0.304 222 P C -0.822 176.231 177.300 -0.412 0.000 1.360 222 P CA -0.642 62.035 63.100 -0.705 0.000 0.869 222 P CB 1.116 31.990 31.700 -1.377 0.000 0.988 223 L N 4.218 125.248 121.223 -0.321 0.000 2.455 223 L HA 0.260 4.597 4.340 -0.004 0.000 0.272 223 L C 1.285 178.016 176.870 -0.232 0.000 1.174 223 L CA 0.121 54.827 54.840 -0.224 0.000 0.869 223 L CB -0.003 41.952 42.059 -0.174 0.000 1.130 223 L HN 0.469 nan 8.230 nan 0.000 0.474 224 R N 0.850 121.247 120.500 -0.171 0.000 2.803 224 R HA 0.471 4.809 4.340 -0.004 0.000 0.276 224 R C -0.664 175.620 176.300 -0.027 0.000 0.978 224 R CA -0.739 55.282 56.100 -0.131 0.000 0.939 224 R CB 1.177 31.388 30.300 -0.148 0.000 1.179 224 R HN 0.468 nan 8.270 nan 0.000 0.472 225 D N 1.721 122.137 120.400 0.028 0.000 2.772 225 D HA -0.137 4.500 4.640 -0.004 0.000 0.233 225 D C 0.185 176.471 176.300 -0.023 0.000 1.143 225 D CA 0.988 55.074 54.000 0.144 0.000 0.700 225 D CB -0.419 40.710 40.800 0.548 0.000 1.076 225 D HN 0.590 nan 8.370 nan 0.000 0.430 226 M N -0.285 119.231 119.600 -0.141 0.000 2.659 226 M HA -0.051 4.426 4.480 -0.004 0.000 0.243 226 M C 1.950 178.135 176.300 -0.191 0.000 1.111 226 M CA 0.918 56.138 55.300 -0.132 0.000 1.070 226 M CB -0.252 32.270 32.600 -0.128 0.000 1.525 226 M HN 0.307 nan 8.290 nan 0.000 0.517 227 E N -0.310 119.649 120.200 -0.401 0.000 2.447 227 E HA -0.045 4.302 4.350 -0.004 0.000 0.195 227 E C -0.351 176.033 176.600 -0.360 0.000 1.028 227 E CA 0.117 56.253 56.400 -0.440 0.000 0.876 227 E CB -0.238 29.064 29.700 -0.664 0.000 0.885 227 E HN 0.280 nan 8.360 nan 0.000 0.500 228 F N 2.180 122.144 119.950 0.022 0.000 2.509 228 F HA 0.250 4.774 4.527 -0.004 0.000 0.350 228 F C 0.042 175.896 175.800 0.090 0.000 1.220 228 F CA -0.660 57.388 58.000 0.080 0.000 1.151 228 F CB 0.659 39.712 39.000 0.090 0.000 1.379 228 F HN -0.298 nan 8.300 nan 0.000 0.610 229 V N 3.036 123.104 119.914 0.258 0.000 2.398 229 V HA 0.297 4.415 4.120 -0.004 0.000 0.286 229 V C 0.047 176.252 176.094 0.186 0.000 1.026 229 V CA -0.936 61.475 62.300 0.184 0.000 0.868 229 V CB 1.540 33.482 31.823 0.198 0.000 0.982 229 V HN 0.508 nan 8.190 nan 0.000 0.443 230 Q N 2.896 122.785 119.800 0.148 0.000 2.327 230 Q HA 0.366 4.704 4.340 -0.004 0.000 0.254 230 Q C -1.585 174.467 176.000 0.087 0.000 0.952 230 Q CA 0.347 56.264 55.803 0.190 0.000 0.884 230 Q CB 0.756 29.662 28.738 0.280 0.000 1.224 230 Q HN 0.628 nan 8.270 nan 0.000 0.422 231 Y N 1.273 121.610 120.300 0.061 0.000 2.485 231 Y HA 0.317 4.864 4.550 -0.004 0.000 0.345 231 Y C -0.383 175.539 175.900 0.037 0.000 0.998 231 Y CA -0.739 57.367 58.100 0.010 0.000 1.059 231 Y CB 1.627 40.025 38.460 -0.102 0.000 1.234 231 Y HN 0.612 nan 8.280 nan 0.000 0.461 232 H N 4.893 124.001 119.070 0.064 0.000 2.489 232 H HA 0.193 4.747 4.556 -0.004 0.000 0.322 232 H C -1.938 173.375 175.328 -0.026 0.000 1.091 232 H CA -2.135 53.878 56.048 -0.059 0.000 1.291 232 H CB 2.191 31.798 29.762 -0.259 0.000 1.436 232 H HN 0.431 nan 8.280 nan 0.000 0.480 233 P HA -0.149 nan 4.420 nan 0.000 0.213 233 P C 0.201 177.468 177.300 -0.054 0.000 1.176 233 P CA 1.900 64.886 63.100 -0.190 0.000 0.919 233 P CB -0.042 31.506 31.700 -0.253 0.000 0.791 234 T N -2.503 112.112 114.554 0.102 0.000 2.756 234 T HA 0.705 5.053 4.350 -0.004 0.000 0.290 234 T C 0.025 174.835 174.700 0.183 0.000 0.985 234 T CA -0.662 61.537 62.100 0.164 0.000 0.955 234 T CB 1.125 70.081 68.868 0.147 0.000 0.930 234 T HN 0.190 nan 8.240 nan 0.000 0.451 235 G N 3.108 111.924 108.800 0.025 0.000 2.759 235 G HA2 0.532 4.489 3.960 -0.004 0.000 0.297 235 G HA3 0.532 4.489 3.960 -0.004 0.000 0.297 235 G C -0.911 173.948 174.900 -0.068 0.000 1.434 235 G CA -1.125 43.953 45.100 -0.037 0.000 0.980 235 G HN 0.872 nan 8.290 nan 0.000 0.531 236 L N 2.335 123.519 121.223 -0.065 0.000 2.461 236 L HA 0.275 4.612 4.340 -0.004 0.000 0.272 236 L C -1.533 175.277 176.870 -0.100 0.000 1.197 236 L CA -1.429 53.377 54.840 -0.058 0.000 0.836 236 L CB 0.776 42.812 42.059 -0.038 0.000 1.105 236 L HN 0.290 nan 8.230 nan 0.000 0.477 237 P HA 0.052 nan 4.420 nan 0.000 0.269 237 P C 0.662 177.888 177.300 -0.123 0.000 1.209 237 P CA 0.686 63.693 63.100 -0.155 0.000 0.776 237 P CB 1.132 32.775 31.700 -0.095 0.000 0.876 238 G N 2.398 111.083 108.800 -0.193 0.000 5.452 238 G HA2 -0.398 3.559 3.960 -0.004 0.000 0.310 238 G HA3 -0.398 3.559 3.960 -0.004 0.000 0.310 238 G C 1.516 176.460 174.900 0.072 0.000 1.392 238 G CA 1.120 46.211 45.100 -0.015 0.000 0.942 238 G HN 0.655 nan 8.290 nan 0.000 0.776 239 S N 0.976 116.680 115.700 0.006 0.000 2.370 239 S HA 0.237 4.705 4.470 -0.004 0.000 0.226 239 S C 2.812 177.413 174.600 0.002 0.000 1.033 239 S CA 2.352 60.538 58.200 -0.024 0.000 1.011 239 S CB -0.777 62.338 63.200 -0.142 0.000 0.852 239 S HN 2.793 nan 8.310 nan 0.000 0.457 240 G N 0.975 109.756 108.800 -0.033 0.000 2.148 240 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.254 240 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.254 240 G C 0.037 174.910 174.900 -0.045 0.000 0.981 240 G CA 0.158 45.241 45.100 -0.028 0.000 0.670 240 G HN 0.653 nan 8.290 nan 0.000 0.528 241 I N 0.911 121.428 120.570 -0.088 0.000 2.668 241 I HA 0.147 4.315 4.170 -0.004 0.000 0.285 241 I C 1.186 177.248 176.117 -0.091 0.000 1.168 241 I CA -0.607 60.631 61.300 -0.103 0.000 1.424 241 I CB 0.570 38.447 38.000 -0.205 0.000 1.377 241 I HN 0.247 nan 8.210 nan 0.000 0.560 242 L N 8.041 129.212 121.223 -0.087 0.000 2.499 242 L HA 0.002 4.339 4.340 -0.004 0.000 0.273 242 L C 0.512 177.293 176.870 -0.149 0.000 1.195 242 L CA 0.601 55.333 54.840 -0.181 0.000 0.882 242 L CB 0.463 42.371 42.059 -0.252 0.000 1.133 242 L HN 0.626 nan 8.230 nan 0.000 0.483 243 M N 4.546 124.066 119.600 -0.133 0.000 2.723 243 M HA 0.179 4.656 4.480 -0.004 0.000 0.270 243 M C 0.694 176.989 176.300 -0.008 0.000 1.282 243 M CA 0.529 55.801 55.300 -0.048 0.000 0.995 243 M CB -1.157 31.449 32.600 0.010 0.000 1.430 243 M HN 1.077 nan 8.290 nan 0.000 0.477 244 T N 0.004 114.505 114.554 -0.089 0.000 0.917 244 T HA -0.324 4.024 4.350 -0.004 0.000 0.742 244 T C 0.850 175.669 174.700 0.198 0.000 0.977 244 T CA 2.129 64.243 62.100 0.023 0.000 3.843 244 T CB -0.276 68.680 68.868 0.146 0.000 2.189 244 T HN 0.713 nan 8.240 nan 0.000 0.409 245 E N -1.416 118.907 120.200 0.205 0.000 2.653 245 E HA 0.203 4.550 4.350 -0.004 0.000 0.218 245 E C 1.843 178.426 176.600 -0.027 0.000 0.911 245 E CA 0.759 57.224 56.400 0.108 0.000 1.355 245 E CB -0.608 29.119 29.700 0.045 0.000 1.314 245 E HN 0.750 nan 8.360 nan 0.000 0.686 246 G N 1.509 110.329 108.800 0.033 0.000 2.469 246 G HA2 -0.323 3.634 3.960 -0.004 0.000 0.220 246 G HA3 -0.323 3.634 3.960 -0.004 0.000 0.220 246 G C 1.530 176.424 174.900 -0.009 0.000 1.136 246 G CA 1.279 46.379 45.100 -0.001 0.000 0.759 246 G HN 0.416 nan 8.290 nan 0.000 0.562 247 C N 0.349 119.664 119.300 0.025 0.000 2.391 247 C HA -0.075 4.383 4.460 -0.004 0.000 0.276 247 C C 2.887 177.873 174.990 -0.008 0.000 1.217 247 C CA 0.951 59.977 59.018 0.014 0.000 1.766 247 C CB -1.093 26.663 27.740 0.027 0.000 2.046 247 C HN 0.476 nan 8.230 nan 0.000 0.475 248 R N 0.890 121.378 120.500 -0.020 0.000 2.073 248 R HA 0.001 4.339 4.340 -0.004 0.000 0.229 248 R C 2.634 178.896 176.300 -0.063 0.000 1.120 248 R CA 1.457 57.537 56.100 -0.033 0.000 0.967 248 R CB -0.773 29.502 30.300 -0.041 0.000 0.862 248 R HN 0.628 nan 8.270 nan 0.000 0.436 249 G N 1.422 110.155 108.800 -0.113 0.000 2.432 249 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.219 249 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.219 249 G C 1.234 176.084 174.900 -0.082 0.000 1.135 249 G CA 0.451 45.466 45.100 -0.141 0.000 0.767 249 G HN 0.200 nan 8.290 nan 0.000 0.550 250 E N 0.048 120.217 120.200 -0.051 0.000 2.208 250 E HA 0.078 4.426 4.350 -0.004 0.000 0.193 250 E C 1.856 178.449 176.600 -0.012 0.000 0.988 250 E CA 0.889 57.273 56.400 -0.026 0.000 0.828 250 E CB -0.029 29.664 29.700 -0.012 0.000 0.763 250 E HN 0.498 nan 8.360 nan 0.000 0.478 251 G N 0.722 109.519 108.800 -0.005 0.000 2.147 251 G HA2 -0.132 3.825 3.960 -0.004 0.000 0.128 251 G HA3 -0.132 3.825 3.960 -0.004 0.000 0.128 251 G C 0.514 175.462 174.900 0.080 0.000 1.026 251 G CA -0.208 44.912 45.100 0.034 0.000 0.693 251 G HN 0.453 nan 8.290 nan 0.000 0.499 252 G N 0.092 108.911 108.800 0.032 0.000 2.554 252 G HA2 0.621 4.579 3.960 -0.004 0.000 0.238 252 G HA3 0.621 4.579 3.960 -0.004 0.000 0.238 252 G C 0.355 175.317 174.900 0.104 0.000 1.259 252 G CA 0.302 45.431 45.100 0.048 0.000 0.843 252 G HN 1.538 nan 8.290 nan 0.000 0.582 253 I N -1.305 119.362 120.570 0.162 0.000 2.647 253 I HA 0.630 4.797 4.170 -0.004 0.000 0.295 253 I C -0.891 175.251 176.117 0.042 0.000 1.078 253 I CA -1.321 60.029 61.300 0.083 0.000 1.048 253 I CB 2.279 40.318 38.000 0.065 0.000 1.239 253 I HN 0.218 nan 8.210 nan 0.000 0.421 254 L N 6.368 127.551 121.223 -0.066 0.000 2.275 254 L HA 0.714 5.052 4.340 -0.004 0.000 0.288 254 L C -0.207 176.494 176.870 -0.281 0.000 1.046 254 L CA -0.799 53.983 54.840 -0.097 0.000 0.805 254 L CB 1.585 43.578 42.059 -0.110 0.000 1.193 254 L HN 0.621 nan 8.230 nan 0.000 0.426 255 V N -0.221 119.691 119.914 -0.003 0.000 3.007 255 V HA 0.671 4.789 4.120 -0.004 0.000 0.311 255 V C -0.622 175.682 176.094 0.351 0.000 1.120 255 V CA -0.901 61.444 62.300 0.076 0.000 0.980 255 V CB 1.856 33.753 31.823 0.124 0.000 1.033 255 V HN 0.784 nan 8.190 nan 0.000 0.429 256 N N 2.153 121.104 118.700 0.417 0.000 2.620 256 N HA 0.298 5.036 4.740 -0.004 0.000 0.307 256 N C 0.872 176.541 175.510 0.265 0.000 1.316 256 N CA -0.236 53.023 53.050 0.348 0.000 0.931 256 N CB 0.053 38.735 38.487 0.325 0.000 1.116 256 N HN 0.873 nan 8.380 nan 0.000 0.573 257 K N -1.524 118.981 120.400 0.175 0.000 2.360 257 K HA 0.005 4.322 4.320 -0.004 0.000 0.201 257 K C 0.013 176.707 176.600 0.157 0.000 1.046 257 K CA 1.184 57.567 56.287 0.160 0.000 0.945 257 K CB -0.311 32.238 32.500 0.082 0.000 0.750 257 K HN 0.302 nan 8.250 nan 0.000 0.464 258 N N 0.591 119.394 118.700 0.170 0.000 2.230 258 N HA 0.071 4.808 4.740 -0.004 0.000 0.202 258 N C 0.369 175.975 175.510 0.161 0.000 1.119 258 N CA 0.754 53.887 53.050 0.139 0.000 0.851 258 N CB 1.091 39.643 38.487 0.107 0.000 0.990 258 N HN 0.499 nan 8.380 nan 0.000 0.497 259 G N 1.155 110.070 108.800 0.192 0.000 2.225 259 G HA2 -0.324 3.634 3.960 -0.004 0.000 0.267 259 G HA3 -0.324 3.634 3.960 -0.004 0.000 0.267 259 G C -0.419 174.602 174.900 0.203 0.000 1.024 259 G CA 0.254 45.455 45.100 0.167 0.000 0.784 259 G HN 0.458 nan 8.290 nan 0.000 0.507 260 Y N 0.896 121.248 120.300 0.087 0.000 2.335 260 Y HA 0.572 5.119 4.550 -0.004 0.000 0.339 260 Y C 1.030 176.947 175.900 0.028 0.000 0.987 260 Y CA -2.015 56.126 58.100 0.067 0.000 1.140 260 Y CB 0.660 39.178 38.460 0.096 0.000 1.173 260 Y HN 0.158 nan 8.280 nan 0.000 0.486 261 R N 6.568 126.847 120.500 -0.368 0.000 4.113 261 R HA -0.043 4.295 4.340 -0.004 0.000 0.179 261 R C 0.213 176.025 176.300 -0.813 0.000 1.781 261 R CA 0.075 55.849 56.100 -0.542 0.000 1.402 261 R CB -0.653 29.461 30.300 -0.309 0.000 1.375 261 R HN 0.807 nan 8.270 nan 0.000 0.786 262 Y N -1.384 118.581 120.300 -0.559 0.000 2.556 262 Y HA -0.158 4.390 4.550 -0.004 0.000 0.290 262 Y C 1.324 177.157 175.900 -0.111 0.000 1.149 262 Y CA 0.450 58.265 58.100 -0.475 0.000 1.329 262 Y CB -0.527 37.913 38.460 -0.033 0.000 0.975 262 Y HN 0.266 nan 8.280 nan 0.000 0.561 263 L N 1.113 122.356 121.223 0.032 0.000 2.261 263 L HA -0.259 4.078 4.340 -0.004 0.000 0.216 263 L C 2.725 179.676 176.870 0.134 0.000 1.114 263 L CA 1.889 56.882 54.840 0.254 0.000 0.777 263 L CB -0.693 41.402 42.059 0.060 0.000 0.910 263 L HN 0.494 nan 8.230 nan 0.000 0.440 264 Q N -0.849 118.929 119.800 -0.037 0.000 2.224 264 Q HA -0.215 4.123 4.340 -0.004 0.000 0.203 264 Q C 1.162 177.106 176.000 -0.092 0.000 0.970 264 Q CA 1.539 57.307 55.803 -0.058 0.000 0.865 264 Q CB -0.333 28.363 28.738 -0.069 0.000 0.922 264 Q HN 0.332 nan 8.270 nan 0.000 0.445 265 D N 0.312 120.595 120.400 -0.195 0.000 2.309 265 D HA -0.112 4.525 4.640 -0.004 0.000 0.212 265 D C 0.079 175.967 176.300 -0.686 0.000 0.968 265 D CA 0.952 54.665 54.000 -0.479 0.000 0.882 265 D CB 0.047 40.404 40.800 -0.739 0.000 0.918 265 D HN 0.496 nan 8.370 nan 0.000 0.503 266 Y N -1.474 118.860 120.300 0.056 0.000 2.720 266 Y HA 0.413 4.961 4.550 -0.004 0.000 0.268 266 Y C 1.629 177.543 175.900 0.023 0.000 1.142 266 Y CA -0.225 57.903 58.100 0.045 0.000 1.193 266 Y CB 0.859 39.384 38.460 0.108 0.000 1.176 266 Y HN -0.048 nan 8.280 nan 0.000 0.542 267 G N 0.170 108.999 108.800 0.048 0.000 2.195 267 G HA2 -0.334 3.623 3.960 -0.004 0.000 0.246 267 G HA3 -0.334 3.623 3.960 -0.004 0.000 0.246 267 G C 0.743 175.613 174.900 -0.050 0.000 0.984 267 G CA 0.402 45.503 45.100 0.001 0.000 0.633 267 G HN 0.407 nan 8.290 nan 0.000 0.525 268 M N 1.522 121.110 119.600 -0.019 0.000 2.494 268 M HA 0.321 4.798 4.480 -0.004 0.000 0.232 268 M C 1.678 177.893 176.300 -0.141 0.000 1.137 268 M CA 0.639 55.888 55.300 -0.085 0.000 1.012 268 M CB 0.439 33.050 32.600 0.018 0.000 1.567 268 M HN 0.332 nan 8.290 nan 0.000 0.486 269 G N 1.497 110.227 108.800 -0.117 0.000 2.616 269 G HA2 0.419 4.377 3.960 -0.004 0.000 0.268 269 G HA3 0.419 4.377 3.960 -0.004 0.000 0.268 269 G C -2.426 172.371 174.900 -0.172 0.000 1.213 269 G CA -0.907 44.135 45.100 -0.097 0.000 0.926 269 G HN 0.099 nan 8.290 nan 0.000 0.523 270 P HA 0.220 nan 4.420 nan 0.000 0.276 270 P C -0.252 177.077 177.300 0.049 0.000 1.252 270 P CA -0.551 62.555 63.100 0.010 0.000 0.802 270 P CB 1.049 32.774 31.700 0.040 0.000 1.035 271 E N 0.267 120.485 120.200 0.030 0.000 2.452 271 E HA 0.098 4.445 4.350 -0.004 0.000 0.261 271 E C -0.193 176.434 176.600 0.046 0.000 0.987 271 E CA -0.044 56.370 56.400 0.023 0.000 0.926 271 E CB 0.274 29.978 29.700 0.006 0.000 0.934 271 E HN 0.455 nan 8.360 nan 0.000 0.452 272 T N 2.558 117.137 114.554 0.042 0.000 2.907 272 T HA 0.475 4.823 4.350 -0.004 0.000 0.284 272 T C -2.408 172.292 174.700 -0.001 0.000 1.004 272 T CA -2.008 60.110 62.100 0.030 0.000 1.063 272 T CB 1.360 70.246 68.868 0.030 0.000 0.992 272 T HN 0.258 nan 8.240 nan 0.000 0.483 273 P HA 0.212 nan 4.420 nan 0.000 0.269 273 P C 1.058 178.344 177.300 -0.024 0.000 1.215 273 P CA -0.526 62.563 63.100 -0.017 0.000 0.780 273 P CB 0.507 32.199 31.700 -0.014 0.000 0.898 274 L N 1.500 122.699 121.223 -0.040 0.000 2.013 274 L HA -0.221 4.117 4.340 -0.004 0.000 0.212 274 L C 2.576 179.449 176.870 0.005 0.000 1.073 274 L CA 2.315 57.129 54.840 -0.044 0.000 0.753 274 L CB -1.236 40.764 42.059 -0.098 0.000 0.890 274 L HN 0.619 nan 8.230 nan 0.000 0.432 275 G N -0.163 108.636 108.800 -0.000 0.000 2.440 275 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.218 275 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.218 275 G C 0.557 175.457 174.900 -0.000 0.000 1.154 275 G CA 0.669 45.773 45.100 0.007 0.000 0.767 275 G HN 0.553 nan 8.290 nan 0.000 0.552 276 E N 1.023 121.217 120.200 -0.010 0.000 2.267 276 E HA 0.375 4.722 4.350 -0.004 0.000 0.248 276 E C -3.118 173.466 176.600 -0.028 0.000 0.899 276 E CA -2.409 53.978 56.400 -0.022 0.000 0.764 276 E CB 2.599 32.282 29.700 -0.028 0.000 1.227 276 E HN 0.122 nan 8.360 nan 0.000 0.421 277 P HA 0.275 nan 4.420 nan 0.000 0.288 277 P C -0.751 176.509 177.300 -0.067 0.000 1.267 277 P CA -0.600 62.479 63.100 -0.035 0.000 0.815 277 P CB 1.524 33.208 31.700 -0.028 0.000 0.989 278 K N 1.837 122.185 120.400 -0.088 0.000 2.207 278 K HA 0.278 4.596 4.320 -0.004 0.000 0.255 278 K C 0.332 176.849 176.600 -0.138 0.000 0.941 278 K CA -0.861 55.322 56.287 -0.174 0.000 0.825 278 K CB 1.829 34.120 32.500 -0.350 0.000 1.119 278 K HN 0.462 nan 8.250 nan 0.000 0.430 279 N N 2.186 120.803 118.700 -0.138 0.000 2.454 279 N HA -0.091 4.646 4.740 -0.004 0.000 0.254 279 N C -0.409 175.110 175.510 0.014 0.000 1.228 279 N CA 1.025 54.036 53.050 -0.066 0.000 0.900 279 N CB 0.374 38.819 38.487 -0.069 0.000 1.089 279 N HN 0.597 nan 8.380 nan 0.000 0.449 280 K N 0.572 121.042 120.400 0.117 0.000 3.512 280 K HA -0.230 4.087 4.320 -0.004 0.000 0.309 280 K C -1.090 175.793 176.600 0.472 0.000 1.350 280 K CA 1.060 57.499 56.287 0.253 0.000 0.960 280 K CB -1.557 31.105 32.500 0.270 0.000 1.290 280 K HN 0.566 nan 8.250 nan 0.000 0.454 281 Y N -0.137 120.159 120.300 -0.008 0.000 2.499 281 Y HA 0.369 4.917 4.550 -0.004 0.000 0.347 281 Y C 1.194 177.086 175.900 -0.014 0.000 0.987 281 Y CA -1.911 56.186 58.100 -0.004 0.000 1.044 281 Y CB 1.311 39.766 38.460 -0.008 0.000 1.245 281 Y HN -0.183 nan 8.280 nan 0.000 0.461 282 M N -0.126 119.540 119.600 0.109 0.000 7.319 282 M HA -0.390 4.088 4.480 -0.004 0.000 0.313 282 M C 1.296 177.611 176.300 0.026 0.000 0.480 282 M CA 1.484 56.808 55.300 0.040 0.000 1.311 282 M CB -1.402 31.213 32.600 0.027 0.000 0.421 282 M HN 0.844 nan 8.290 nan 0.000 0.852 283 E N 0.522 120.718 120.200 -0.007 0.000 2.267 283 E HA -0.009 4.339 4.350 -0.004 0.000 0.197 283 E C 1.135 177.730 176.600 -0.008 0.000 0.998 283 E CA 0.948 57.339 56.400 -0.015 0.000 0.830 283 E CB -0.169 29.516 29.700 -0.026 0.000 0.751 283 E HN 0.421 nan 8.360 nan 0.000 0.491 284 L N 0.427 121.654 121.223 0.007 0.000 3.064 284 L HA 0.324 4.661 4.340 -0.004 0.000 0.233 284 L C 0.776 177.668 176.870 0.036 0.000 1.333 284 L CA -0.645 54.192 54.840 -0.005 0.000 1.140 284 L CB -0.126 41.919 42.059 -0.023 0.000 1.519 284 L HN 0.041 nan 8.230 nan 0.000 0.493 285 G N 0.203 109.027 108.800 0.040 0.000 2.537 285 G HA2 0.453 4.410 3.960 -0.004 0.000 0.297 285 G HA3 0.453 4.410 3.960 -0.004 0.000 0.297 285 G C -2.567 172.352 174.900 0.033 0.000 1.310 285 G CA -1.194 43.940 45.100 0.057 0.000 1.027 285 G HN 0.042 nan 8.290 nan 0.000 0.505 286 P HA 0.028 nan 4.420 nan 0.000 0.264 286 P C 0.982 178.286 177.300 0.006 0.000 1.183 286 P CA -0.078 63.039 63.100 0.028 0.000 0.763 286 P CB 0.778 32.502 31.700 0.040 0.000 0.807 287 R N 3.314 123.808 120.500 -0.011 0.000 2.096 287 R HA -0.241 4.096 4.340 -0.004 0.000 0.240 287 R C 0.703 176.976 176.300 -0.044 0.000 1.139 287 R CA 2.566 58.640 56.100 -0.043 0.000 0.952 287 R CB -0.526 29.753 30.300 -0.035 0.000 0.854 287 R HN 0.456 nan 8.270 nan 0.000 0.436 288 D N 0.057 120.439 120.400 -0.030 0.000 2.097 288 D HA -0.124 4.513 4.640 -0.004 0.000 0.195 288 D C 1.896 178.154 176.300 -0.069 0.000 0.989 288 D CA 1.442 55.404 54.000 -0.064 0.000 0.827 288 D CB -0.028 40.742 40.800 -0.050 0.000 0.966 288 D HN 0.281 nan 8.370 nan 0.000 0.456 289 K N 0.430 120.824 120.400 -0.009 0.000 2.074 289 K HA -0.142 4.175 4.320 -0.004 0.000 0.209 289 K C 2.105 178.724 176.600 0.031 0.000 1.048 289 K CA 0.969 57.276 56.287 0.034 0.000 0.926 289 K CB -0.256 32.288 32.500 0.073 0.000 0.713 289 K HN 0.066 nan 8.250 nan 0.000 0.444 290 V N 1.145 121.076 119.914 0.029 0.000 2.343 290 V HA -0.231 3.887 4.120 -0.004 0.000 0.247 290 V C 2.113 178.230 176.094 0.038 0.000 1.051 290 V CA 2.059 64.397 62.300 0.063 0.000 1.036 290 V CB -0.406 31.441 31.823 0.039 0.000 0.654 290 V HN 0.274 nan 8.190 nan 0.000 0.451 291 S N -0.584 115.089 115.700 -0.046 0.000 2.402 291 S HA -0.223 4.245 4.470 -0.004 0.000 0.229 291 S C 1.948 176.478 174.600 -0.117 0.000 1.021 291 S CA 1.193 59.338 58.200 -0.092 0.000 0.974 291 S CB -0.291 62.805 63.200 -0.173 0.000 0.800 291 S HN 0.644 nan 8.310 nan 0.000 0.484 292 Q N 1.159 120.842 119.800 -0.196 0.000 2.079 292 Q HA 0.015 4.353 4.340 -0.004 0.000 0.200 292 Q C 2.568 178.406 176.000 -0.271 0.000 0.974 292 Q CA 1.258 56.884 55.803 -0.295 0.000 0.840 292 Q CB -0.470 28.136 28.738 -0.220 0.000 0.898 292 Q HN 0.615 nan 8.270 nan 0.000 0.430 293 A N 0.651 123.389 122.820 -0.135 0.000 1.917 293 A HA -0.250 4.067 4.320 -0.004 0.000 0.219 293 A C 1.871 179.301 177.584 -0.256 0.000 1.182 293 A CA 1.523 53.393 52.037 -0.278 0.000 0.633 293 A CB -0.933 18.047 19.000 -0.034 0.000 0.819 293 A HN 0.512 nan 8.150 nan 0.000 0.448 294 F N -0.488 119.339 119.950 -0.206 0.000 2.095 294 F HA -0.214 4.311 4.527 -0.004 0.000 0.298 294 F C 2.224 177.989 175.800 -0.058 0.000 1.104 294 F CA 2.051 59.957 58.000 -0.156 0.000 1.232 294 F CB -0.354 38.598 39.000 -0.080 0.000 0.987 294 F HN 0.571 nan 8.300 nan 0.000 0.475 295 W N 1.188 122.432 121.300 -0.093 0.000 2.342 295 W HA -0.254 4.404 4.660 -0.004 0.000 0.297 295 W C 2.175 178.637 176.519 -0.094 0.000 1.213 295 W CA 2.286 59.580 57.345 -0.085 0.000 1.251 295 W CB -0.819 28.590 29.460 -0.084 0.000 1.136 295 W HN 0.220 nan 8.180 nan 0.000 0.526 296 H N 0.401 119.512 119.070 0.068 0.000 2.299 296 H HA -0.098 4.455 4.556 -0.004 0.000 0.302 296 H C 2.148 177.383 175.328 -0.155 0.000 1.078 296 H CA 1.662 57.678 56.048 -0.053 0.000 1.323 296 H CB -0.739 28.901 29.762 -0.204 0.000 1.381 296 H HN 0.091 nan 8.280 nan 0.000 0.498 297 E N 0.353 120.460 120.200 -0.155 0.000 2.097 297 E HA -0.194 4.153 4.350 -0.004 0.000 0.196 297 E C 2.189 178.594 176.600 -0.325 0.000 1.000 297 E CA 0.687 56.927 56.400 -0.267 0.000 0.804 297 E CB -0.612 28.764 29.700 -0.539 0.000 0.740 297 E HN 0.507 nan 8.360 nan 0.000 0.454 298 W N 1.970 122.890 121.300 -0.634 0.000 2.335 298 W HA -0.209 4.449 4.660 -0.004 0.000 0.311 298 W C 2.223 178.478 176.519 -0.439 0.000 1.213 298 W CA 1.719 58.691 57.345 -0.622 0.000 1.274 298 W CB -0.114 28.878 29.460 -0.779 0.000 1.148 298 W HN -0.066 nan 8.180 nan 0.000 0.498 299 R N 0.643 120.855 120.500 -0.480 0.000 2.105 299 R HA -0.140 4.198 4.340 -0.004 0.000 0.239 299 R C 2.032 178.054 176.300 -0.463 0.000 1.135 299 R CA 1.699 57.460 56.100 -0.565 0.000 0.967 299 R CB -0.875 29.246 30.300 -0.298 0.000 0.861 299 R HN 0.320 nan 8.270 nan 0.000 0.442 300 K N -0.970 119.247 120.400 -0.304 0.000 2.211 300 K HA -0.056 4.261 4.320 -0.004 0.000 0.203 300 K C 0.881 177.313 176.600 -0.279 0.000 1.050 300 K CA 0.944 57.101 56.287 -0.218 0.000 0.945 300 K CB 0.051 32.483 32.500 -0.113 0.000 0.732 300 K HN 0.438 nan 8.250 nan 0.000 0.451 301 G N 1.458 110.012 108.800 -0.410 0.000 2.142 301 G HA2 -0.183 3.775 3.960 -0.004 0.000 0.225 301 G HA3 -0.183 3.775 3.960 -0.004 0.000 0.225 301 G C 0.072 174.828 174.900 -0.240 0.000 1.015 301 G CA 0.100 44.968 45.100 -0.386 0.000 0.716 301 G HN 0.217 nan 8.290 nan 0.000 0.508 302 N N 0.522 119.096 118.700 -0.210 0.000 2.398 302 N HA 0.130 4.868 4.740 -0.004 0.000 0.188 302 N C 1.112 176.563 175.510 -0.098 0.000 1.122 302 N CA 1.052 54.039 53.050 -0.105 0.000 0.866 302 N CB 0.415 38.876 38.487 -0.042 0.000 0.970 302 N HN 0.791 nan 8.380 nan 0.000 0.462 303 T N -1.188 113.268 114.554 -0.163 0.000 2.837 303 T HA 0.527 4.874 4.350 -0.004 0.000 0.285 303 T C 0.428 175.095 174.700 -0.054 0.000 0.984 303 T CA -0.805 61.228 62.100 -0.112 0.000 1.049 303 T CB 1.197 70.007 68.868 -0.097 0.000 0.947 303 T HN -0.151 nan 8.240 nan 0.000 0.472 304 I N 2.771 123.306 120.570 -0.057 0.000 2.648 304 I HA 0.225 4.392 4.170 -0.004 0.000 0.284 304 I C 0.984 177.099 176.117 -0.003 0.000 1.153 304 I CA 0.310 61.586 61.300 -0.041 0.000 1.426 304 I CB 0.790 38.709 38.000 -0.135 0.000 1.381 304 I HN 0.733 nan 8.210 nan 0.000 0.571 305 S N 4.588 120.302 115.700 0.024 0.000 2.438 305 S HA 0.692 5.160 4.470 -0.004 0.000 0.293 305 S C -0.166 174.463 174.600 0.047 0.000 1.141 305 S CA -0.424 57.803 58.200 0.044 0.000 1.080 305 S CB 0.094 63.317 63.200 0.039 0.000 0.978 305 S HN 0.811 nan 8.310 nan 0.000 0.479 306 T N 2.845 117.428 114.554 0.048 0.000 2.901 306 T HA 0.595 4.942 4.350 -0.004 0.000 0.293 306 T C -2.293 172.434 174.700 0.045 0.000 1.084 306 T CA -1.709 60.421 62.100 0.050 0.000 1.008 306 T CB 1.123 70.022 68.868 0.053 0.000 1.170 306 T HN 0.265 nan 8.240 nan 0.000 0.509 307 P HA -0.034 nan 4.420 nan 0.000 0.217 307 P C 1.465 178.788 177.300 0.038 0.000 1.148 307 P CA 0.828 63.953 63.100 0.042 0.000 0.828 307 P CB 0.139 31.865 31.700 0.043 0.000 0.783 308 R N -1.127 119.390 120.500 0.030 0.000 2.276 308 R HA 0.246 4.584 4.340 -0.004 0.000 0.203 308 R C 1.097 177.381 176.300 -0.025 0.000 1.017 308 R CA 0.950 57.055 56.100 0.008 0.000 1.010 308 R CB -0.446 29.854 30.300 0.001 0.000 0.900 308 R HN 0.271 nan 8.270 nan 0.000 0.469 309 G N 1.003 109.804 108.800 0.001 0.000 2.392 309 G HA2 -0.154 3.803 3.960 -0.004 0.000 0.677 309 G HA3 -0.154 3.803 3.960 -0.004 0.000 0.677 309 G C -1.684 173.239 174.900 0.038 0.000 1.334 309 G CA -1.017 44.084 45.100 0.003 0.000 0.961 309 G HN 0.056 nan 8.290 nan 0.000 0.616 310 D N -0.312 120.148 120.400 0.099 0.000 2.443 310 D HA 0.437 5.074 4.640 -0.004 0.000 0.239 310 D C 0.978 177.410 176.300 0.222 0.000 1.136 310 D CA 1.270 55.377 54.000 0.178 0.000 0.879 310 D CB 1.527 42.535 40.800 0.346 0.000 1.195 310 D HN 1.306 nan 8.370 nan 0.000 0.443 311 V N -0.767 119.240 119.914 0.155 0.000 3.181 311 V HA 0.801 4.919 4.120 -0.004 0.000 0.308 311 V C -0.317 175.846 176.094 0.115 0.000 1.214 311 V CA -1.006 61.395 62.300 0.167 0.000 1.053 311 V CB 1.544 33.331 31.823 -0.060 0.000 1.069 311 V HN 0.340 nan 8.190 nan 0.000 0.441 312 V N -1.021 119.006 119.914 0.189 0.000 3.177 312 V HA 0.694 4.812 4.120 -0.004 0.000 0.319 312 V C -0.948 175.112 176.094 -0.058 0.000 1.125 312 V CA -0.949 61.421 62.300 0.117 0.000 1.029 312 V CB 1.630 33.695 31.823 0.403 0.000 1.119 312 V HN 0.912 nan 8.190 nan 0.000 0.452 313 Y N 0.634 121.059 120.300 0.209 0.000 2.341 313 Y HA 0.647 5.195 4.550 -0.004 0.000 0.338 313 Y C -0.268 175.703 175.900 0.119 0.000 0.965 313 Y CA -0.761 57.423 58.100 0.141 0.000 1.108 313 Y CB 2.085 40.616 38.460 0.118 0.000 1.180 313 Y HN 0.617 nan 8.280 nan 0.000 0.458 314 L N 4.651 126.041 121.223 0.278 0.000 2.268 314 L HA 0.323 4.660 4.340 -0.004 0.000 0.289 314 L C -0.748 176.205 176.870 0.139 0.000 1.064 314 L CA -0.092 54.850 54.840 0.169 0.000 0.824 314 L CB 0.197 42.327 42.059 0.119 0.000 1.202 314 L HN 0.521 nan 8.230 nan 0.000 0.433 315 D N 4.240 124.722 120.400 0.137 0.000 2.274 315 D HA 0.276 4.914 4.640 -0.004 0.000 0.239 315 D C 0.375 176.640 176.300 -0.059 0.000 1.104 315 D CA -0.006 54.062 54.000 0.114 0.000 0.840 315 D CB 0.967 41.930 40.800 0.272 0.000 1.100 315 D HN 0.613 nan 8.370 nan 0.000 0.477 316 L N 3.671 124.776 121.223 -0.196 0.000 2.858 316 L HA 0.251 4.589 4.340 -0.004 0.000 0.251 316 L C 2.161 178.764 176.870 -0.446 0.000 1.149 316 L CA -0.328 54.300 54.840 -0.353 0.000 0.955 316 L CB 0.208 42.180 42.059 -0.145 0.000 1.289 316 L HN 0.302 nan 8.230 nan 0.000 0.542 317 R N 0.618 120.909 120.500 -0.348 0.000 2.113 317 R HA -0.190 4.147 4.340 -0.004 0.000 0.244 317 R C 2.031 178.243 176.300 -0.147 0.000 1.142 317 R CA 1.893 57.901 56.100 -0.155 0.000 0.953 317 R CB -0.464 29.842 30.300 0.010 0.000 0.860 317 R HN 0.575 nan 8.270 nan 0.000 0.438 318 H N -0.112 118.949 119.070 -0.016 0.000 2.545 318 H HA 0.071 4.625 4.556 -0.004 0.000 0.282 318 H C 1.102 176.418 175.328 -0.020 0.000 1.020 318 H CA 0.338 56.376 56.048 -0.017 0.000 1.243 318 H CB -0.486 29.268 29.762 -0.014 0.000 1.377 318 H HN 0.136 nan 8.280 nan 0.000 0.581 319 L N 1.128 122.244 121.223 -0.178 0.000 2.439 319 L HA 0.354 4.692 4.340 -0.004 0.000 0.261 319 L C 1.089 177.909 176.870 -0.082 0.000 1.153 319 L CA -0.421 54.358 54.840 -0.100 0.000 0.808 319 L CB 1.056 43.041 42.059 -0.125 0.000 1.126 319 L HN 0.217 nan 8.230 nan 0.000 0.460 320 G N 0.138 108.898 108.800 -0.065 0.000 2.476 320 G HA2 0.163 4.121 3.960 -0.004 0.000 0.269 320 G HA3 0.163 4.121 3.960 -0.004 0.000 0.269 320 G C 0.596 175.414 174.900 -0.136 0.000 1.195 320 G CA -0.379 44.673 45.100 -0.079 0.000 0.843 320 G HN 0.722 nan 8.290 nan 0.000 0.545 321 E N 1.085 121.171 120.200 -0.190 0.000 2.058 321 E HA -0.183 4.165 4.350 -0.004 0.000 0.194 321 E C 2.150 178.538 176.600 -0.354 0.000 0.997 321 E CA 1.386 57.550 56.400 -0.393 0.000 0.801 321 E CB -0.161 29.337 29.700 -0.337 0.000 0.746 321 E HN 0.615 nan 8.360 nan 0.000 0.450 322 K N 1.734 122.044 120.400 -0.150 0.000 2.025 322 K HA -0.101 4.217 4.320 -0.004 0.000 0.207 322 K C 2.046 178.645 176.600 -0.003 0.000 1.049 322 K CA 1.511 57.771 56.287 -0.045 0.000 0.933 322 K CB -0.098 32.391 32.500 -0.019 0.000 0.714 322 K HN -0.085 nan 8.250 nan 0.000 0.438 323 K N -0.039 120.352 120.400 -0.015 0.000 2.057 323 K HA -0.103 4.215 4.320 -0.004 0.000 0.206 323 K C 2.077 178.694 176.600 0.028 0.000 1.050 323 K CA 1.256 57.551 56.287 0.013 0.000 0.935 323 K CB -0.300 32.202 32.500 0.002 0.000 0.715 323 K HN 0.125 nan 8.250 nan 0.000 0.439 324 L N 0.924 122.140 121.223 -0.012 0.000 1.971 324 L HA -0.248 4.089 4.340 -0.004 0.000 0.215 324 L C 1.954 178.922 176.870 0.163 0.000 1.072 324 L CA 1.964 56.819 54.840 0.023 0.000 0.758 324 L CB -0.444 41.568 42.059 -0.079 0.000 0.889 324 L HN 0.293 nan 8.230 nan 0.000 0.433 325 H N -2.013 117.072 119.070 0.025 0.000 2.436 325 H HA -0.083 4.471 4.556 -0.004 0.000 0.294 325 H C 1.962 177.316 175.328 0.042 0.000 1.048 325 H CA 0.796 56.864 56.048 0.033 0.000 1.353 325 H CB 0.371 30.146 29.762 0.023 0.000 1.414 325 H HN 0.529 nan 8.280 nan 0.000 0.536 326 E N 1.310 121.603 120.200 0.155 0.000 2.072 326 E HA -0.098 4.250 4.350 -0.004 0.000 0.190 326 E C 1.953 178.624 176.600 0.118 0.000 0.982 326 E CA 0.716 57.182 56.400 0.110 0.000 0.803 326 E CB 0.337 30.085 29.700 0.081 0.000 0.755 326 E HN 0.329 nan 8.360 nan 0.000 0.453 327 R N -0.560 120.013 120.500 0.121 0.000 2.254 327 R HA 0.229 4.566 4.340 -0.004 0.000 0.193 327 R C 0.668 177.056 176.300 0.147 0.000 0.929 327 R CA 0.221 56.403 56.100 0.137 0.000 1.038 327 R CB 0.700 31.068 30.300 0.113 0.000 1.009 327 R HN 0.192 nan 8.270 nan 0.000 0.512 328 L N 2.065 123.373 121.223 0.142 0.000 2.913 328 L HA 0.277 4.614 4.340 -0.004 0.000 0.283 328 L C -1.894 175.071 176.870 0.159 0.000 1.336 328 L CA -1.110 53.819 54.840 0.148 0.000 0.815 328 L CB 1.469 43.594 42.059 0.110 0.000 1.188 328 L HN -0.138 nan 8.230 nan 0.000 0.551 329 P HA -0.179 nan 4.420 nan 0.000 0.218 329 P C 1.619 178.999 177.300 0.134 0.000 1.152 329 P CA 1.032 64.189 63.100 0.096 0.000 0.826 329 P CB 0.296 32.033 31.700 0.062 0.000 0.790 330 F N 1.195 121.153 119.950 0.013 0.000 2.051 330 F HA -0.187 4.337 4.527 -0.004 0.000 0.296 330 F C 2.273 178.094 175.800 0.035 0.000 1.122 330 F CA 1.221 59.229 58.000 0.014 0.000 1.201 330 F CB -0.564 38.452 39.000 0.026 0.000 0.978 330 F HN -0.331 nan 8.300 nan 0.000 0.472 331 I N 0.322 120.854 120.570 -0.064 0.000 2.236 331 I HA -0.441 3.727 4.170 -0.004 0.000 0.249 331 I C 2.442 178.504 176.117 -0.091 0.000 1.102 331 I CA 1.413 62.626 61.300 -0.145 0.000 1.365 331 I CB -1.007 36.983 38.000 -0.016 0.000 1.051 331 I HN 0.347 nan 8.210 nan 0.000 0.420 332 C N 0.094 119.384 119.300 -0.017 0.000 2.440 332 C HA -0.130 4.328 4.460 -0.004 0.000 0.278 332 C C 2.738 177.705 174.990 -0.039 0.000 1.295 332 C CA 0.618 59.635 59.018 -0.002 0.000 1.738 332 C CB -1.105 26.659 27.740 0.040 0.000 1.987 332 C HN 0.547 nan 8.230 nan 0.000 0.492 333 E N 1.172 121.340 120.200 -0.053 0.000 2.028 333 E HA -0.166 4.182 4.350 -0.004 0.000 0.191 333 E C 2.097 178.637 176.600 -0.101 0.000 0.988 333 E CA 1.070 57.434 56.400 -0.059 0.000 0.799 333 E CB -0.227 29.479 29.700 0.010 0.000 0.755 333 E HN 0.625 nan 8.360 nan 0.000 0.447 334 L N 0.833 121.962 121.223 -0.157 0.000 2.010 334 L HA -0.301 4.036 4.340 -0.004 0.000 0.219 334 L C 2.770 179.664 176.870 0.041 0.000 1.077 334 L CA 1.819 56.625 54.840 -0.057 0.000 0.773 334 L CB -0.612 41.307 42.059 -0.233 0.000 0.892 334 L HN 0.227 nan 8.230 nan 0.000 0.436 335 A N -0.315 122.497 122.820 -0.014 0.000 1.877 335 A HA -0.214 4.103 4.320 -0.004 0.000 0.216 335 A C 2.328 179.915 177.584 0.005 0.000 1.186 335 A CA 1.850 53.898 52.037 0.018 0.000 0.620 335 A CB -0.373 18.632 19.000 0.008 0.000 0.822 335 A HN 0.376 nan 8.150 nan 0.000 0.443 336 K N -0.364 120.016 120.400 -0.034 0.000 2.057 336 K HA -0.002 4.315 4.320 -0.004 0.000 0.206 336 K C 2.351 178.895 176.600 -0.093 0.000 1.050 336 K CA 1.052 57.311 56.287 -0.047 0.000 0.935 336 K CB -0.317 32.152 32.500 -0.053 0.000 0.715 336 K HN 0.426 nan 8.250 nan 0.000 0.439 337 A N 0.701 123.408 122.820 -0.188 0.000 1.873 337 A HA -0.144 4.174 4.320 -0.004 0.000 0.215 337 A C 1.869 179.223 177.584 -0.383 0.000 1.186 337 A CA 1.291 53.100 52.037 -0.380 0.000 0.616 337 A CB -0.605 17.993 19.000 -0.671 0.000 0.823 337 A HN 0.303 nan 8.150 nan 0.000 0.442 338 Y N -0.984 119.309 120.300 -0.013 0.000 2.396 338 Y HA 0.052 4.600 4.550 -0.004 0.000 0.292 338 Y C 2.331 178.233 175.900 0.005 0.000 1.128 338 Y CA 0.948 59.045 58.100 -0.005 0.000 1.194 338 Y CB 0.275 38.726 38.460 -0.014 0.000 1.124 338 Y HN 0.196 nan 8.280 nan 0.000 0.543 339 V N -3.405 116.593 119.914 0.141 0.000 3.660 339 V HA 0.502 4.620 4.120 -0.004 0.000 0.276 339 V C 1.219 177.352 176.094 0.066 0.000 1.317 339 V CA 0.347 62.706 62.300 0.099 0.000 1.097 339 V CB -0.190 31.691 31.823 0.097 0.000 0.863 339 V HN 0.425 nan 8.190 nan 0.000 0.438 340 G N 0.392 109.215 108.800 0.039 0.000 2.289 340 G HA2 -0.143 3.814 3.960 -0.004 0.000 0.280 340 G HA3 -0.143 3.814 3.960 -0.004 0.000 0.280 340 G C -0.292 174.620 174.900 0.020 0.000 1.089 340 G CA 0.241 45.352 45.100 0.018 0.000 0.939 340 G HN 0.984 nan 8.290 nan 0.000 0.499 341 V N 0.213 120.138 119.914 0.018 0.000 2.686 341 V HA 0.516 4.633 4.120 -0.004 0.000 0.306 341 V C -0.627 175.472 176.094 0.008 0.000 1.065 341 V CA -1.048 61.262 62.300 0.017 0.000 0.894 341 V CB 2.082 33.925 31.823 0.034 0.000 1.004 341 V HN 0.375 nan 8.190 nan 0.000 0.424 342 D N 5.805 126.208 120.400 0.004 0.000 2.280 342 D HA 0.380 5.017 4.640 -0.004 0.000 0.243 342 D C -1.912 174.393 176.300 0.009 0.000 1.129 342 D CA -2.074 51.932 54.000 0.010 0.000 0.848 342 D CB 2.509 43.316 40.800 0.012 0.000 1.107 342 D HN 0.185 nan 8.370 nan 0.000 0.471 343 P HA -0.066 nan 4.420 nan 0.000 0.236 343 P C 0.958 178.250 177.300 -0.012 0.000 1.172 343 P CA 0.468 63.572 63.100 0.006 0.000 0.759 343 P CB 0.519 32.236 31.700 0.029 0.000 0.843 344 V N -1.041 118.874 119.914 0.002 0.000 2.690 344 V HA 0.014 4.131 4.120 -0.004 0.000 0.240 344 V C 2.280 178.363 176.094 -0.019 0.000 1.078 344 V CA 1.137 63.426 62.300 -0.019 0.000 1.102 344 V CB -0.681 31.140 31.823 -0.003 0.000 0.800 344 V HN -0.036 nan 8.190 nan 0.000 0.479 345 K N 0.095 120.490 120.400 -0.008 0.000 2.148 345 K HA -0.022 4.296 4.320 -0.004 0.000 0.204 345 K C 0.720 177.305 176.600 -0.024 0.000 1.050 345 K CA 1.231 57.512 56.287 -0.011 0.000 0.942 345 K CB 0.218 32.715 32.500 -0.005 0.000 0.724 345 K HN 0.591 nan 8.250 nan 0.000 0.446 346 E N -1.322 118.860 120.200 -0.031 0.000 2.447 346 E HA 0.245 4.592 4.350 -0.004 0.000 0.279 346 E C -2.849 173.715 176.600 -0.060 0.000 1.053 346 E CA -2.132 54.235 56.400 -0.055 0.000 0.840 346 E CB 2.270 31.933 29.700 -0.063 0.000 1.409 346 E HN -0.094 nan 8.360 nan 0.000 0.461 347 P HA 0.342 nan 4.420 nan 0.000 0.282 347 P C -0.708 176.596 177.300 0.006 0.000 1.249 347 P CA -0.220 62.834 63.100 -0.076 0.000 0.806 347 P CB 0.701 32.284 31.700 -0.195 0.000 0.984 348 I N 3.641 124.291 120.570 0.133 0.000 2.331 348 I HA 0.313 4.480 4.170 -0.004 0.000 0.292 348 I C -2.211 174.104 176.117 0.330 0.000 0.998 348 I CA -2.997 58.416 61.300 0.188 0.000 1.267 348 I CB 0.970 39.035 38.000 0.107 0.000 1.386 348 I HN 0.086 nan 8.210 nan 0.000 0.476 349 P HA 0.080 nan 4.420 nan 0.000 0.265 349 P C -0.632 176.718 177.300 0.083 0.000 1.193 349 P CA 0.113 63.314 63.100 0.168 0.000 0.765 349 P CB 0.725 32.488 31.700 0.105 0.000 0.823 350 V N 4.595 124.536 119.914 0.045 0.000 3.001 350 V HA 0.731 4.849 4.120 -0.004 0.000 0.314 350 V C 0.027 176.066 176.094 -0.093 0.000 1.099 350 V CA -0.556 61.750 62.300 0.010 0.000 0.989 350 V CB 2.367 34.230 31.823 0.066 0.000 1.040 350 V HN 0.647 nan 8.190 nan 0.000 0.434 351 R N 2.010 122.368 120.500 -0.237 0.000 2.664 351 R HA 0.565 4.903 4.340 -0.004 0.000 0.266 351 R C -3.366 172.657 176.300 -0.461 0.000 1.046 351 R CA -1.845 53.882 56.100 -0.622 0.000 0.885 351 R CB 1.611 31.527 30.300 -0.641 0.000 1.254 351 R HN 0.360 nan 8.270 nan 0.000 0.465 352 P HA 0.210 nan 4.420 nan 0.000 0.272 352 P C -0.787 176.495 177.300 -0.030 0.000 1.223 352 P CA -0.068 62.899 63.100 -0.222 0.000 0.784 352 P CB 1.146 32.685 31.700 -0.269 0.000 0.923 353 T N 0.289 114.940 114.554 0.162 0.000 2.853 353 T HA 0.630 4.977 4.350 -0.004 0.000 0.311 353 T C -1.365 173.207 174.700 -0.214 0.000 1.307 353 T CA -0.667 61.477 62.100 0.073 0.000 1.019 353 T CB 0.639 69.503 68.868 -0.006 0.000 1.264 353 T HN 0.301 nan 8.240 nan 0.000 0.497 354 A N 2.315 124.803 122.820 -0.552 0.000 2.491 354 A HA 0.473 4.791 4.320 -0.004 0.000 0.261 354 A C 0.133 177.589 177.584 -0.213 0.000 1.101 354 A CA 0.491 52.051 52.037 -0.795 0.000 0.772 354 A CB -0.232 18.348 19.000 -0.700 0.000 1.043 354 A HN 1.008 nan 8.150 nan 0.000 0.501 355 H N 1.827 120.747 119.070 -0.250 0.000 3.022 355 H HA 0.350 4.904 4.556 -0.004 0.000 0.180 355 H C -0.759 174.605 175.328 0.060 0.000 1.111 355 H CA 0.735 56.769 56.048 -0.023 0.000 1.304 355 H CB -0.014 29.803 29.762 0.092 0.000 1.290 355 H HN 0.641 nan 8.280 nan 0.000 0.441 356 Y N 0.964 121.182 120.300 -0.138 0.000 2.420 356 Y HA 0.446 4.993 4.550 -0.004 0.000 0.334 356 Y C -0.740 175.127 175.900 -0.054 0.000 1.094 356 Y CA -0.731 57.265 58.100 -0.173 0.000 1.126 356 Y CB 1.749 40.113 38.460 -0.160 0.000 1.217 356 Y HN 0.177 nan 8.280 nan 0.000 0.462 357 T N 7.777 121.783 114.554 -0.913 0.000 2.762 357 T HA 0.207 4.555 4.350 -0.004 0.000 0.303 357 T C 0.912 175.241 174.700 -0.618 0.000 0.977 357 T CA -0.327 61.432 62.100 -0.568 0.000 0.961 357 T CB 0.300 68.942 68.868 -0.376 0.000 0.944 357 T HN 0.776 nan 8.240 nan 0.000 0.481 358 M N 1.744 121.306 119.600 -0.063 0.000 2.558 358 M HA 0.169 4.646 4.480 -0.004 0.000 0.255 358 M C 1.595 178.003 176.300 0.180 0.000 1.113 358 M CA 0.025 55.453 55.300 0.214 0.000 1.097 358 M CB 0.139 32.925 32.600 0.309 0.000 1.426 358 M HN 0.596 nan 8.290 nan 0.000 0.488 359 G N 0.349 109.199 108.800 0.084 0.000 2.442 359 G HA2 0.490 4.448 3.960 -0.004 0.000 0.249 359 G HA3 0.490 4.448 3.960 -0.004 0.000 0.249 359 G C -0.164 174.715 174.900 -0.036 0.000 1.263 359 G CA -0.124 44.996 45.100 0.034 0.000 0.846 359 G HN 0.386 nan 8.290 nan 0.000 0.555 360 G N 0.009 108.784 108.800 -0.042 0.000 2.663 360 G HA2 0.485 4.442 3.960 -0.004 0.000 0.299 360 G HA3 0.485 4.442 3.960 -0.004 0.000 0.299 360 G C -0.623 174.220 174.900 -0.095 0.000 1.372 360 G CA -1.113 43.947 45.100 -0.068 0.000 0.781 360 G HN 0.739 nan 8.290 nan 0.000 0.491 361 I N 1.135 121.647 120.570 -0.098 0.000 2.618 361 I HA 0.094 4.261 4.170 -0.004 0.000 0.284 361 I C 0.940 176.973 176.117 -0.140 0.000 1.146 361 I CA -0.029 61.197 61.300 -0.123 0.000 1.425 361 I CB 0.898 38.838 38.000 -0.101 0.000 1.383 361 I HN 0.467 nan 8.210 nan 0.000 0.562 362 E N 5.965 126.060 120.200 -0.176 0.000 2.417 362 E HA 0.100 4.448 4.350 -0.004 0.000 0.261 362 E C -0.460 176.043 176.600 -0.160 0.000 1.000 362 E CA 0.098 56.388 56.400 -0.183 0.000 0.919 362 E CB 0.688 30.262 29.700 -0.209 0.000 0.955 362 E HN 0.768 nan 8.360 nan 0.000 0.455 363 T N 1.170 115.628 114.554 -0.160 0.000 2.821 363 T HA 0.229 4.577 4.350 -0.004 0.000 0.306 363 T C -0.415 174.203 174.700 -0.137 0.000 1.313 363 T CA -0.964 61.050 62.100 -0.144 0.000 1.012 363 T CB 1.430 70.223 68.868 -0.125 0.000 1.298 363 T HN 0.477 nan 8.240 nan 0.000 0.502 364 D N 0.837 121.165 120.400 -0.120 0.000 2.380 364 D HA 0.161 4.799 4.640 -0.004 0.000 0.254 364 D C 1.170 177.429 176.300 -0.068 0.000 1.288 364 D CA -0.141 53.804 54.000 -0.092 0.000 1.008 364 D CB 0.338 41.086 40.800 -0.088 0.000 1.099 364 D HN 0.564 nan 8.370 nan 0.000 0.537 365 Q N -0.783 118.993 119.800 -0.040 0.000 2.172 365 Q HA 0.030 4.368 4.340 -0.004 0.000 0.200 365 Q C 1.106 177.129 176.000 0.038 0.000 0.964 365 Q CA 0.985 56.788 55.803 -0.000 0.000 0.855 365 Q CB -0.353 28.380 28.738 -0.007 0.000 0.918 365 Q HN 0.393 nan 8.270 nan 0.000 0.444 366 N N -0.449 118.259 118.700 0.014 0.000 2.515 366 N HA 0.010 4.747 4.740 -0.004 0.000 0.191 366 N C -0.233 175.379 175.510 0.169 0.000 1.182 366 N CA 0.346 53.435 53.050 0.065 0.000 0.879 366 N CB 0.067 38.586 38.487 0.053 0.000 0.984 366 N HN 0.249 nan 8.380 nan 0.000 0.453 367 C N -0.009 119.361 119.300 0.116 0.000 4.473 367 C HA -0.199 4.258 4.460 -0.004 0.000 0.272 367 C C 0.737 175.787 174.990 0.101 0.000 1.434 367 C CA -0.022 59.078 59.018 0.137 0.000 1.761 367 C CB -2.391 25.505 27.740 0.260 0.000 1.564 367 C HN 0.538 nan 8.230 nan 0.000 0.725 368 E N 1.452 121.590 120.200 -0.104 0.000 2.289 368 E HA 0.416 4.763 4.350 -0.004 0.000 0.278 368 E C 0.956 177.331 176.600 -0.373 0.000 1.032 368 E CA 0.548 56.593 56.400 -0.592 0.000 0.854 368 E CB 0.943 30.224 29.700 -0.697 0.000 1.046 368 E HN 0.577 nan 8.360 nan 0.000 0.409 369 T N 1.653 115.966 114.554 -0.401 0.000 2.732 369 T HA 0.192 4.539 4.350 -0.004 0.000 0.287 369 T C 1.151 175.710 174.700 -0.234 0.000 0.993 369 T CA -0.319 61.631 62.100 -0.250 0.000 0.966 369 T CB 0.898 69.647 68.868 -0.199 0.000 1.047 369 T HN 0.582 nan 8.240 nan 0.000 0.527 370 R N -0.388 120.018 120.500 -0.157 0.000 2.073 370 R HA 0.126 4.463 4.340 -0.004 0.000 0.234 370 R C 0.839 177.061 176.300 -0.131 0.000 1.134 370 R CA 0.804 56.835 56.100 -0.115 0.000 0.952 370 R CB -0.560 29.709 30.300 -0.052 0.000 0.850 370 R HN 0.609 nan 8.270 nan 0.000 0.433 371 I N 2.424 122.910 120.570 -0.140 0.000 2.710 371 I HA -0.075 4.093 4.170 -0.004 0.000 0.286 371 I C 0.489 176.444 176.117 -0.270 0.000 1.181 371 I CA 0.040 61.241 61.300 -0.164 0.000 1.430 371 I CB 0.315 38.227 38.000 -0.147 0.000 1.367 371 I HN -0.072 nan 8.210 nan 0.000 0.577 372 K N 4.086 124.293 120.400 -0.321 0.000 2.298 372 K HA 0.347 4.665 4.320 -0.004 0.000 0.280 372 K C 0.752 176.874 176.600 -0.798 0.000 1.032 372 K CA 0.800 56.789 56.287 -0.497 0.000 0.958 372 K CB 0.743 33.038 32.500 -0.342 0.000 0.978 372 K HN 0.770 nan 8.250 nan 0.000 0.472 373 G N 2.500 110.990 108.800 -0.516 0.000 2.205 373 G HA2 -0.276 3.682 3.960 -0.004 0.000 0.261 373 G HA3 -0.276 3.682 3.960 -0.004 0.000 0.261 373 G C -0.478 174.420 174.900 -0.003 0.000 0.980 373 G CA 0.388 45.385 45.100 -0.171 0.000 0.632 373 G HN 0.520 nan 8.290 nan 0.000 0.533 374 L N 0.952 122.022 121.223 -0.256 0.000 2.282 374 L HA 0.872 5.209 4.340 -0.004 0.000 0.288 374 L C -0.699 176.018 176.870 -0.255 0.000 1.033 374 L CA -1.420 53.351 54.840 -0.115 0.000 0.807 374 L CB 0.584 42.545 42.059 -0.163 0.000 1.209 374 L HN 0.012 nan 8.230 nan 0.000 0.423 375 F N 3.572 123.477 119.950 -0.075 0.000 2.577 375 F HA 0.831 5.355 4.527 -0.005 0.000 0.318 375 F C 0.157 175.929 175.800 -0.046 0.000 1.065 375 F CA -0.623 57.346 58.000 -0.053 0.000 0.929 375 F CB 1.970 40.953 39.000 -0.029 0.000 1.237 375 F HN 0.585 nan 8.300 nan 0.000 0.468 376 A N 1.753 124.647 122.820 0.124 0.000 2.343 376 A HA 0.831 5.149 4.320 -0.004 0.000 0.316 376 A C -1.610 176.023 177.584 0.081 0.000 1.104 376 A CA -0.804 51.273 52.037 0.067 0.000 0.768 376 A CB 1.646 20.644 19.000 -0.003 0.000 1.213 376 A HN 0.685 nan 8.150 nan 0.000 0.456 377 V N 1.905 121.870 119.914 0.085 0.000 3.078 377 V HA 0.858 4.975 4.120 -0.004 0.000 0.311 377 V C 0.685 176.837 176.094 0.097 0.000 1.138 377 V CA 1.065 63.425 62.300 0.100 0.000 1.007 377 V CB 1.818 33.725 31.823 0.140 0.000 1.045 377 V HN 2.693 nan 8.190 nan 0.000 0.432 378 G N 3.599 112.472 108.800 0.123 0.000 2.542 378 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.235 378 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.235 378 G C 0.647 175.641 174.900 0.158 0.000 1.286 378 G CA 0.926 46.119 45.100 0.155 0.000 0.904 378 G HN 1.212 nan 8.290 nan 0.000 0.577 379 E N -0.416 119.888 120.200 0.173 0.000 2.106 379 E HA -0.133 4.215 4.350 -0.004 0.000 0.192 379 E C 2.775 179.373 176.600 -0.004 0.000 0.984 379 E CA 2.512 58.990 56.400 0.129 0.000 0.806 379 E CB -0.449 29.298 29.700 0.078 0.000 0.750 379 E HN 1.041 nan 8.360 nan 0.000 0.458 380 C N 1.041 120.344 119.300 0.005 0.000 2.410 380 C HA -0.007 4.451 4.460 -0.004 0.000 0.281 380 C C 1.842 176.814 174.990 -0.030 0.000 1.318 380 C CA -0.028 58.977 59.018 -0.022 0.000 1.776 380 C CB -1.577 26.164 27.740 0.002 0.000 1.942 380 C HN 0.356 nan 8.230 nan 0.000 0.508 381 S N 0.889 116.582 115.700 -0.011 0.000 2.652 381 S HA 0.568 5.036 4.470 -0.004 0.000 0.270 381 S C -0.241 174.325 174.600 -0.057 0.000 1.243 381 S CA -0.094 58.081 58.200 -0.041 0.000 0.999 381 S CB 1.007 64.183 63.200 -0.040 0.000 0.973 381 S HN 0.522 nan 8.310 nan 0.000 0.544 382 S N 1.723 117.363 115.700 -0.101 0.000 2.406 382 S HA 0.288 4.755 4.470 -0.004 0.000 0.224 382 S C 0.658 175.138 174.600 -0.201 0.000 1.426 382 S CA -0.779 57.348 58.200 -0.122 0.000 1.179 382 S CB 0.873 64.006 63.200 -0.113 0.000 1.042 382 S HN 0.562 nan 8.310 nan 0.000 0.479 383 V N 1.576 121.320 119.914 -0.284 0.000 2.667 383 V HA 0.068 4.185 4.120 -0.004 0.000 0.252 383 V C 1.866 177.760 176.094 -0.332 0.000 1.065 383 V CA 1.624 63.696 62.300 -0.380 0.000 1.083 383 V CB -0.929 30.477 31.823 -0.695 0.000 0.692 383 V HN 1.076 nan 8.190 nan 0.000 0.468 384 G N -0.146 108.464 108.800 -0.316 0.000 2.132 384 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.234 384 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.234 384 G C 0.619 175.389 174.900 -0.217 0.000 0.989 384 G CA 0.460 45.437 45.100 -0.205 0.000 0.676 384 G HN 0.444 nan 8.290 nan 0.000 0.522 385 L N -0.106 120.849 121.223 -0.447 0.000 2.109 385 L HA 0.198 4.536 4.340 -0.004 0.000 0.207 385 L C 2.454 179.126 176.870 -0.331 0.000 1.086 385 L CA 2.605 57.179 54.840 -0.443 0.000 0.760 385 L CB -0.370 41.236 42.059 -0.754 0.000 0.910 385 L HN 0.368 nan 8.230 nan 0.000 0.437 386 H N -0.233 118.753 119.070 -0.141 0.000 2.384 386 H HA 0.303 4.857 4.556 -0.004 0.000 0.300 386 H C 1.673 176.935 175.328 -0.111 0.000 1.057 386 H CA 0.620 56.605 56.048 -0.105 0.000 1.370 386 H CB -0.665 29.076 29.762 -0.036 0.000 1.417 386 H HN 0.450 nan 8.280 nan 0.000 0.527 387 G N 0.690 109.487 108.800 -0.006 0.000 2.523 387 G HA2 -0.356 3.601 3.960 -0.004 0.000 0.271 387 G HA3 -0.356 3.601 3.960 -0.004 0.000 0.271 387 G C 1.433 176.122 174.900 -0.353 0.000 1.146 387 G CA 1.519 46.557 45.100 -0.102 0.000 0.961 387 G HN 0.673 nan 8.290 nan 0.000 0.549 388 A N -0.455 122.091 122.820 -0.457 0.000 1.930 388 A HA 0.399 4.717 4.320 -0.004 0.000 0.215 388 A C 1.167 178.504 177.584 -0.412 0.000 1.176 388 A CA 2.213 53.752 52.037 -0.829 0.000 0.632 388 A CB -0.119 18.626 19.000 -0.425 0.000 0.819 388 A HN 0.825 nan 8.150 nan 0.000 0.445 389 N N -0.940 117.665 118.700 -0.158 0.000 2.242 389 N HA 0.300 5.038 4.740 -0.004 0.000 0.292 389 N C -1.217 174.297 175.510 0.006 0.000 1.125 389 N CA -0.575 52.462 53.050 -0.021 0.000 0.783 389 N CB 1.503 39.995 38.487 0.007 0.000 1.558 389 N HN 0.162 nan 8.380 nan 0.000 0.472 390 R N 2.357 122.868 120.500 0.018 0.000 2.221 390 R HA 0.309 4.646 4.340 -0.004 0.000 0.327 390 R C -0.686 175.592 176.300 -0.036 0.000 1.033 390 R CA -0.545 55.511 56.100 -0.074 0.000 0.887 390 R CB 0.170 30.297 30.300 -0.287 0.000 1.057 390 R HN 0.472 nan 8.270 nan 0.000 0.455 391 L N 2.776 123.999 121.223 0.001 0.000 2.485 391 L HA 0.129 4.466 4.340 -0.004 0.000 0.275 391 L C 1.159 178.057 176.870 0.046 0.000 1.207 391 L CA 0.860 55.727 54.840 0.045 0.000 0.855 391 L CB 0.612 42.727 42.059 0.093 0.000 1.114 391 L HN 0.728 nan 8.230 nan 0.000 0.485 392 G N 1.515 110.375 108.800 0.100 0.000 2.398 392 G HA2 0.351 4.308 3.960 -0.004 0.000 0.246 392 G HA3 0.351 4.308 3.960 -0.004 0.000 0.246 392 G C 0.661 175.651 174.900 0.149 0.000 1.289 392 G CA 0.396 45.594 45.100 0.163 0.000 0.869 392 G HN 1.186 nan 8.290 nan 0.000 0.543 393 S N 1.209 116.964 115.700 0.092 0.000 2.765 393 S HA -0.244 4.223 4.470 -0.004 0.000 0.266 393 S C 1.453 176.112 174.600 0.099 0.000 1.302 393 S CA 1.427 59.646 58.200 0.033 0.000 1.274 393 S CB -1.734 61.447 63.200 -0.033 0.000 1.559 393 S HN 0.660 nan 8.310 nan 0.000 0.658 394 N N 1.240 120.010 118.700 0.117 0.000 2.290 394 N HA 0.168 4.906 4.740 -0.004 0.000 0.179 394 N C 1.724 177.361 175.510 0.212 0.000 1.016 394 N CA 1.481 54.678 53.050 0.244 0.000 0.871 394 N CB -0.342 38.288 38.487 0.237 0.000 0.987 394 N HN 0.571 nan 8.380 nan 0.000 0.431 395 S N 0.122 115.808 115.700 -0.023 0.000 2.356 395 S HA 0.007 4.474 4.470 -0.004 0.000 0.223 395 S C 1.907 176.585 174.600 0.130 0.000 1.032 395 S CA 0.755 58.926 58.200 -0.047 0.000 1.005 395 S CB -0.361 62.618 63.200 -0.367 0.000 0.867 395 S HN 0.261 nan 8.310 nan 0.000 0.449 396 L N 1.141 122.440 121.223 0.127 0.000 2.013 396 L HA -0.158 4.180 4.340 -0.004 0.000 0.212 396 L C 2.999 179.999 176.870 0.218 0.000 1.073 396 L CA 1.511 56.456 54.840 0.176 0.000 0.753 396 L CB -0.848 41.315 42.059 0.174 0.000 0.890 396 L HN 0.464 nan 8.230 nan 0.000 0.432 397 A N -0.697 122.263 122.820 0.235 0.000 1.972 397 A HA -0.244 4.073 4.320 -0.004 0.000 0.219 397 A C 2.284 180.153 177.584 0.475 0.000 1.169 397 A CA 1.705 53.889 52.037 0.245 0.000 0.635 397 A CB -0.480 18.635 19.000 0.192 0.000 0.810 397 A HN 0.500 nan 8.150 nan 0.000 0.446 398 E N 0.106 120.662 120.200 0.593 0.000 2.077 398 E HA -0.174 4.174 4.350 -0.004 0.000 0.193 398 E C 1.873 178.769 176.600 0.494 0.000 0.989 398 E CA 1.302 58.091 56.400 0.648 0.000 0.800 398 E CB -0.208 29.679 29.700 0.313 0.000 0.746 398 E HN 0.669 nan 8.360 nan 0.000 0.452 399 L N 0.689 122.115 121.223 0.338 0.000 2.083 399 L HA -0.163 4.175 4.340 -0.004 0.000 0.209 399 L C 2.710 179.727 176.870 0.245 0.000 1.083 399 L CA 1.103 56.107 54.840 0.273 0.000 0.752 399 L CB -0.749 41.444 42.059 0.223 0.000 0.899 399 L HN 0.125 nan 8.230 nan 0.000 0.433 400 V N -3.911 116.133 119.914 0.218 0.000 2.379 400 V HA -0.104 4.013 4.120 -0.004 0.000 0.245 400 V C 2.208 178.366 176.094 0.106 0.000 1.044 400 V CA 1.257 63.653 62.300 0.159 0.000 1.036 400 V CB -0.706 31.184 31.823 0.111 0.000 0.664 400 V HN 0.210 nan 8.190 nan 0.000 0.453 401 V N -0.869 119.101 119.914 0.093 0.000 2.535 401 V HA 0.030 4.148 4.120 -0.004 0.000 0.246 401 V C 2.265 178.272 176.094 -0.146 0.000 1.045 401 V CA 1.838 64.088 62.300 -0.083 0.000 1.058 401 V CB -0.696 31.006 31.823 -0.202 0.000 0.689 401 V HN 0.474 nan 8.190 nan 0.000 0.461 402 F N 0.885 120.960 119.950 0.208 0.000 2.714 402 F HA 0.305 4.829 4.527 -0.004 0.000 0.294 402 F C 2.251 178.134 175.800 0.139 0.000 1.120 402 F CA 0.716 58.829 58.000 0.188 0.000 1.398 402 F CB -0.655 38.444 39.000 0.166 0.000 1.120 402 F HN 0.145 nan 8.300 nan 0.000 0.589 403 G N 0.108 109.070 108.800 0.271 0.000 2.404 403 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.215 403 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.215 403 G C 1.822 176.797 174.900 0.126 0.000 1.174 403 G CA 0.563 45.771 45.100 0.181 0.000 0.780 403 G HN 0.206 nan 8.290 nan 0.000 0.537 404 R N -0.326 120.247 120.500 0.121 0.000 2.083 404 R HA -0.068 4.269 4.340 -0.004 0.000 0.237 404 R C 2.487 178.829 176.300 0.071 0.000 1.137 404 R CA 1.608 57.763 56.100 0.091 0.000 0.951 404 R CB -0.480 29.872 30.300 0.087 0.000 0.851 404 R HN 0.334 nan 8.270 nan 0.000 0.434 405 L N 0.914 122.193 121.223 0.093 0.000 1.989 405 L HA -0.122 4.216 4.340 -0.004 0.000 0.211 405 L C 2.369 179.276 176.870 0.062 0.000 1.071 405 L CA 2.358 57.253 54.840 0.092 0.000 0.749 405 L CB -0.921 41.221 42.059 0.137 0.000 0.890 405 L HN 0.286 nan 8.230 nan 0.000 0.431 406 A N -0.558 122.316 122.820 0.091 0.000 1.908 406 A HA -0.109 4.208 4.320 -0.004 0.000 0.218 406 A C 2.360 179.834 177.584 -0.184 0.000 1.181 406 A CA 1.706 53.739 52.037 -0.007 0.000 0.627 406 A CB -1.675 17.365 19.000 0.068 0.000 0.818 406 A HN 0.571 nan 8.150 nan 0.000 0.445 407 G N -0.532 108.211 108.800 -0.096 0.000 2.440 407 G HA2 -0.238 3.719 3.960 -0.004 0.000 0.218 407 G HA3 -0.238 3.719 3.960 -0.004 0.000 0.218 407 G C 1.438 176.256 174.900 -0.136 0.000 1.154 407 G CA 1.111 46.137 45.100 -0.123 0.000 0.767 407 G HN 0.672 nan 8.290 nan 0.000 0.552 408 E N -0.563 119.587 120.200 -0.083 0.000 2.152 408 E HA -0.063 4.285 4.350 -0.004 0.000 0.192 408 E C 2.512 179.062 176.600 -0.083 0.000 0.983 408 E CA 0.771 57.133 56.400 -0.064 0.000 0.818 408 E CB -0.035 29.654 29.700 -0.018 0.000 0.758 408 E HN 0.341 nan 8.360 nan 0.000 0.467 409 Q N 0.646 120.381 119.800 -0.109 0.000 2.083 409 Q HA -0.046 4.291 4.340 -0.004 0.000 0.198 409 Q C 1.978 177.859 176.000 -0.198 0.000 0.969 409 Q CA 1.635 57.395 55.803 -0.073 0.000 0.838 409 Q CB -0.266 28.501 28.738 0.048 0.000 0.900 409 Q HN 0.257 nan 8.270 nan 0.000 0.436 410 A N -0.330 122.129 122.820 -0.602 0.000 1.933 410 A HA -0.207 4.111 4.320 -0.004 0.000 0.218 410 A C 2.254 179.715 177.584 -0.205 0.000 1.175 410 A CA 2.236 53.868 52.037 -0.676 0.000 0.628 410 A CB -1.332 17.174 19.000 -0.824 0.000 0.814 410 A HN 0.628 nan 8.150 nan 0.000 0.444 411 T N -2.081 112.379 114.554 -0.157 0.000 2.720 411 T HA -0.208 4.140 4.350 -0.004 0.000 0.268 411 T C 1.704 176.390 174.700 -0.024 0.000 1.037 411 T CA 1.664 63.721 62.100 -0.071 0.000 1.144 411 T CB -0.403 68.426 68.868 -0.064 0.000 0.864 411 T HN 0.591 nan 8.240 nan 0.000 0.444 412 E N 0.454 120.645 120.200 -0.014 0.000 2.110 412 E HA -0.105 4.242 4.350 -0.004 0.000 0.193 412 E C 2.545 179.178 176.600 0.056 0.000 0.988 412 E CA 0.682 57.095 56.400 0.022 0.000 0.804 412 E CB 0.012 29.729 29.700 0.029 0.000 0.745 412 E HN 0.315 nan 8.360 nan 0.000 0.458 413 R N -0.100 120.457 120.500 0.095 0.000 2.092 413 R HA -0.026 4.311 4.340 -0.004 0.000 0.231 413 R C 2.000 178.371 176.300 0.120 0.000 1.119 413 R CA 1.239 57.430 56.100 0.151 0.000 0.970 413 R CB -0.379 30.088 30.300 0.278 0.000 0.864 413 R HN 0.162 nan 8.270 nan 0.000 0.440 414 A N 0.127 122.993 122.820 0.078 0.000 1.969 414 A HA -0.027 4.291 4.320 -0.004 0.000 0.218 414 A C 2.241 179.848 177.584 0.039 0.000 1.169 414 A CA 1.555 53.627 52.037 0.059 0.000 0.635 414 A CB -0.711 18.308 19.000 0.031 0.000 0.810 414 A HN 0.361 nan 8.150 nan 0.000 0.445 415 A N -0.345 122.494 122.820 0.031 0.000 1.930 415 A HA -0.037 4.280 4.320 -0.004 0.000 0.217 415 A C 2.105 179.701 177.584 0.020 0.000 1.175 415 A CA 2.114 54.163 52.037 0.020 0.000 0.627 415 A CB -0.947 18.062 19.000 0.016 0.000 0.815 415 A HN 0.824 nan 8.150 nan 0.000 0.443 416 T N -3.789 110.783 114.554 0.030 0.000 3.243 416 T HA 0.589 4.937 4.350 -0.004 0.000 0.264 416 T C 1.190 175.903 174.700 0.021 0.000 1.000 416 T CA 0.627 62.741 62.100 0.023 0.000 0.901 416 T CB 0.396 69.281 68.868 0.029 0.000 1.083 416 T HN 0.419 nan 8.240 nan 0.000 0.559 417 A N 1.329 124.163 122.820 0.023 0.000 1.969 417 A HA 0.517 4.834 4.320 -0.004 0.000 0.218 417 A C 1.818 179.338 177.584 -0.108 0.000 1.169 417 A CA 0.839 52.884 52.037 0.013 0.000 0.635 417 A CB -1.289 17.740 19.000 0.048 0.000 0.810 417 A HN 1.537 nan 8.150 nan 0.000 0.445 418 G N -1.082 107.673 108.800 -0.075 0.000 2.698 418 G HA2 -0.135 3.823 3.960 -0.004 0.000 0.233 418 G HA3 -0.135 3.823 3.960 -0.004 0.000 0.233 418 G C -0.610 174.231 174.900 -0.098 0.000 1.352 418 G CA 0.024 45.068 45.100 -0.095 0.000 0.879 418 G HN 0.781 nan 8.290 nan 0.000 0.567 419 N N -0.550 118.093 118.700 -0.095 0.000 2.265 419 N HA 0.732 5.470 4.740 -0.004 0.000 0.300 419 N C 0.269 175.732 175.510 -0.078 0.000 1.148 419 N CA 0.323 53.330 53.050 -0.072 0.000 0.772 419 N CB 1.960 40.421 38.487 -0.043 0.000 1.434 419 N HN 1.128 nan 8.380 nan 0.000 0.481 420 G N -0.290 108.477 108.800 -0.055 0.000 2.498 420 G HA2 0.276 4.233 3.960 -0.004 0.000 0.312 420 G HA3 0.276 4.233 3.960 -0.004 0.000 0.312 420 G C -0.711 174.176 174.900 -0.023 0.000 1.230 420 G CA -0.564 44.512 45.100 -0.041 0.000 0.968 420 G HN 0.591 nan 8.290 nan 0.000 0.481 421 N N 0.119 118.809 118.700 -0.016 0.000 2.454 421 N HA -0.055 4.682 4.740 -0.004 0.000 0.254 421 N C 0.919 176.425 175.510 -0.007 0.000 1.228 421 N CA 0.070 53.113 53.050 -0.011 0.000 0.900 421 N CB 1.681 40.163 38.487 -0.008 0.000 1.089 421 N HN 0.579 nan 8.380 nan 0.000 0.449 422 E N 3.540 123.736 120.200 -0.007 0.000 2.072 422 E HA -0.003 4.344 4.350 -0.004 0.000 0.190 422 E C 1.662 178.260 176.600 -0.004 0.000 0.982 422 E CA 1.667 58.063 56.400 -0.006 0.000 0.803 422 E CB -0.439 29.256 29.700 -0.007 0.000 0.755 422 E HN 0.730 nan 8.360 nan 0.000 0.453 423 A N 0.596 123.413 122.820 -0.004 0.000 2.019 423 A HA -0.024 4.293 4.320 -0.004 0.000 0.219 423 A C 2.345 179.928 177.584 -0.000 0.000 1.164 423 A CA 1.778 53.814 52.037 -0.002 0.000 0.644 423 A CB -0.791 18.207 19.000 -0.003 0.000 0.805 423 A HN 0.370 nan 8.150 nan 0.000 0.449 424 A N 0.008 122.828 122.820 0.001 0.000 1.930 424 A HA 0.021 4.338 4.320 -0.004 0.000 0.217 424 A C 1.923 179.512 177.584 0.008 0.000 1.175 424 A CA 1.582 53.622 52.037 0.004 0.000 0.627 424 A CB -0.332 18.671 19.000 0.004 0.000 0.815 424 A HN 0.448 nan 8.150 nan 0.000 0.443 425 I N -0.824 119.749 120.570 0.006 0.000 2.429 425 I HA -0.039 4.128 4.170 -0.004 0.000 0.247 425 I C 2.218 178.338 176.117 0.005 0.000 1.099 425 I CA 0.951 62.255 61.300 0.006 0.000 1.422 425 I CB -1.679 36.324 38.000 0.004 0.000 1.112 425 I HN 0.336 nan 8.210 nan 0.000 0.430 426 E N 1.808 122.009 120.200 0.002 0.000 2.209 426 E HA -0.173 4.174 4.350 -0.004 0.000 0.196 426 E C 2.140 178.742 176.600 0.003 0.000 0.993 426 E CA 1.384 57.785 56.400 0.001 0.000 0.819 426 E CB 0.248 29.947 29.700 -0.001 0.000 0.745 426 E HN 0.438 nan 8.360 nan 0.000 0.477 427 A N 0.809 123.631 122.820 0.004 0.000 1.930 427 A HA -0.169 4.148 4.320 -0.004 0.000 0.217 427 A C 2.121 179.710 177.584 0.008 0.000 1.175 427 A CA 1.071 53.111 52.037 0.004 0.000 0.627 427 A CB -0.346 18.657 19.000 0.004 0.000 0.815 427 A HN 0.231 nan 8.150 nan 0.000 0.443 428 Q N -0.696 119.112 119.800 0.013 0.000 2.084 428 Q HA -0.154 4.184 4.340 -0.004 0.000 0.202 428 Q C 2.488 178.498 176.000 0.018 0.000 0.978 428 Q CA 1.462 57.279 55.803 0.023 0.000 0.844 428 Q CB -0.356 28.404 28.738 0.036 0.000 0.898 428 Q HN 0.675 nan 8.270 nan 0.000 0.426 429 A N 1.058 123.884 122.820 0.010 0.000 1.902 429 A HA -0.132 4.186 4.320 -0.004 0.000 0.217 429 A C 2.300 179.885 177.584 0.003 0.000 1.181 429 A CA 1.701 53.740 52.037 0.004 0.000 0.623 429 A CB -0.676 18.324 19.000 -0.000 0.000 0.818 429 A HN 0.408 nan 8.150 nan 0.000 0.443 430 A N -0.483 122.339 122.820 0.003 0.000 1.940 430 A HA 0.098 4.416 4.320 -0.004 0.000 0.219 430 A C 2.376 179.960 177.584 0.000 0.000 1.176 430 A CA 1.951 53.989 52.037 0.001 0.000 0.631 430 A CB -1.320 17.680 19.000 0.001 0.000 0.814 430 A HN 0.719 nan 8.150 nan 0.000 0.446 431 G N -0.438 108.363 108.800 0.002 0.000 2.421 431 G HA2 -0.115 3.842 3.960 -0.004 0.000 0.216 431 G HA3 -0.115 3.842 3.960 -0.004 0.000 0.216 431 G C 1.504 176.404 174.900 -0.000 0.000 1.171 431 G CA 1.238 46.339 45.100 0.000 0.000 0.775 431 G HN 0.329 nan 8.290 nan 0.000 0.543 432 V N 0.714 120.630 119.914 0.003 0.000 2.332 432 V HA -0.225 3.893 4.120 -0.004 0.000 0.248 432 V C 2.563 178.655 176.094 -0.003 0.000 1.055 432 V CA 2.358 64.658 62.300 0.001 0.000 1.038 432 V CB -0.513 31.310 31.823 -0.001 0.000 0.651 432 V HN 0.546 nan 8.190 nan 0.000 0.450 433 E N -0.613 119.585 120.200 -0.003 0.000 2.051 433 E HA -0.248 4.099 4.350 -0.004 0.000 0.192 433 E C 2.424 179.021 176.600 -0.005 0.000 0.991 433 E CA 1.138 57.535 56.400 -0.004 0.000 0.799 433 E CB -0.054 29.645 29.700 -0.001 0.000 0.748 433 E HN 0.482 nan 8.360 nan 0.000 0.449 434 Q N 0.504 120.301 119.800 -0.005 0.000 2.061 434 Q HA -0.167 4.171 4.340 -0.004 0.000 0.204 434 Q C 2.211 178.206 176.000 -0.008 0.000 0.984 434 Q CA 1.487 57.286 55.803 -0.006 0.000 0.846 434 Q CB -0.239 28.495 28.738 -0.006 0.000 0.902 434 Q HN 0.284 nan 8.270 nan 0.000 0.421 435 R N 0.046 120.543 120.500 -0.005 0.000 2.096 435 R HA -0.134 4.204 4.340 -0.004 0.000 0.240 435 R C 2.321 178.619 176.300 -0.004 0.000 1.139 435 R CA 1.045 57.143 56.100 -0.003 0.000 0.952 435 R CB -0.539 29.764 30.300 0.004 0.000 0.854 435 R HN 0.199 nan 8.270 nan 0.000 0.436 436 L N 1.793 123.013 121.223 -0.005 0.000 2.012 436 L HA -0.209 4.128 4.340 -0.004 0.000 0.210 436 L C 1.804 178.663 176.870 -0.019 0.000 1.073 436 L CA 1.967 56.801 54.840 -0.011 0.000 0.748 436 L CB -0.567 41.485 42.059 -0.011 0.000 0.891 436 L HN 0.183 nan 8.230 nan 0.000 0.431 437 K N -0.428 119.962 120.400 -0.016 0.000 2.063 437 K HA -0.192 4.126 4.320 -0.004 0.000 0.208 437 K C 1.659 178.244 176.600 -0.024 0.000 1.048 437 K CA 1.664 57.940 56.287 -0.019 0.000 0.928 437 K CB -0.083 32.409 32.500 -0.014 0.000 0.713 437 K HN 0.372 nan 8.250 nan 0.000 0.442 438 D N 1.005 121.391 120.400 -0.023 0.000 2.097 438 D HA -0.163 4.474 4.640 -0.004 0.000 0.195 438 D C 1.809 178.083 176.300 -0.045 0.000 0.989 438 D CA 0.778 54.760 54.000 -0.029 0.000 0.827 438 D CB -0.304 40.482 40.800 -0.024 0.000 0.966 438 D HN 0.006 nan 8.370 nan 0.000 0.456 439 L N 0.698 121.892 121.223 -0.048 0.000 2.079 439 L HA -0.153 4.184 4.340 -0.004 0.000 0.210 439 L C 2.127 178.951 176.870 -0.077 0.000 1.081 439 L CA 1.309 56.102 54.840 -0.077 0.000 0.752 439 L CB -0.414 41.609 42.059 -0.060 0.000 0.896 439 L HN -0.105 nan 8.230 nan 0.000 0.433 440 V N -0.070 119.811 119.914 -0.055 0.000 2.244 440 V HA -0.268 3.849 4.120 -0.004 0.000 0.244 440 V C 2.466 178.533 176.094 -0.046 0.000 1.042 440 V CA 1.952 64.221 62.300 -0.051 0.000 1.006 440 V CB -1.016 30.784 31.823 -0.039 0.000 0.641 440 V HN 0.543 nan 8.190 nan 0.000 0.446 441 N N 0.463 119.140 118.700 -0.039 0.000 2.120 441 N HA -0.181 4.557 4.740 -0.004 0.000 0.188 441 N C 1.299 176.785 175.510 -0.040 0.000 1.024 441 N CA 0.838 53.868 53.050 -0.033 0.000 0.852 441 N CB -0.489 37.982 38.487 -0.027 0.000 1.003 441 N HN 0.652 nan 8.380 nan 0.000 0.424 442 Q N 1.092 120.860 119.800 -0.053 0.000 3.251 442 Q HA -0.177 4.161 4.340 -0.004 0.000 0.380 442 Q C -1.135 174.828 176.000 -0.061 0.000 1.047 442 Q CA 0.539 56.302 55.803 -0.066 0.000 1.231 442 Q CB -0.135 28.541 28.738 -0.103 0.000 1.012 442 Q HN 0.226 nan 8.270 nan 0.000 0.438 443 D N 2.673 123.046 120.400 -0.046 0.000 2.163 443 D HA 0.539 5.176 4.640 -0.004 0.000 0.248 443 D C 0.298 176.576 176.300 -0.037 0.000 1.035 443 D CA 0.300 54.279 54.000 -0.035 0.000 0.872 443 D CB 1.403 42.190 40.800 -0.022 0.000 1.183 443 D HN 0.538 nan 8.370 nan 0.000 0.445 444 G N 0.892 109.674 108.800 -0.029 0.000 2.501 444 G HA2 0.371 4.328 3.960 -0.004 0.000 0.211 444 G HA3 0.371 4.328 3.960 -0.004 0.000 0.211 444 G C 0.925 175.823 174.900 -0.004 0.000 1.409 444 G CA 0.453 45.539 45.100 -0.023 0.000 0.531 444 G HN 1.122 nan 8.290 nan 0.000 1.086 445 G N 0.011 108.813 108.800 0.003 0.000 2.157 445 G HA2 -0.219 3.739 3.960 -0.004 0.000 0.248 445 G HA3 -0.219 3.739 3.960 -0.004 0.000 0.248 445 G C -0.042 174.871 174.900 0.022 0.000 0.979 445 G CA 0.611 45.719 45.100 0.013 0.000 0.650 445 G HN 0.605 nan 8.290 nan 0.000 0.529 446 E N 0.121 120.338 120.200 0.028 0.000 2.179 446 E HA 0.437 4.785 4.350 -0.004 0.000 0.275 446 E C -0.229 176.414 176.600 0.071 0.000 0.945 446 E CA -0.907 55.518 56.400 0.042 0.000 0.792 446 E CB 0.830 30.556 29.700 0.044 0.000 1.125 446 E HN 0.165 nan 8.360 nan 0.000 0.397 447 N N 3.140 121.879 118.700 0.065 0.000 2.488 447 N HA -0.016 4.722 4.740 -0.004 0.000 0.274 447 N C 0.731 176.304 175.510 0.105 0.000 1.111 447 N CA -0.374 52.732 53.050 0.094 0.000 0.974 447 N CB 0.480 38.980 38.487 0.022 0.000 1.089 447 N HN 0.659 nan 8.380 nan 0.000 0.465 448 W N 4.002 125.334 121.300 0.054 0.000 2.364 448 W HA -0.140 4.518 4.660 -0.003 0.000 0.281 448 W C 0.857 177.412 176.519 0.061 0.000 1.219 448 W CA 1.063 58.461 57.345 0.087 0.000 1.220 448 W CB -1.299 28.229 29.460 0.113 0.000 1.127 448 W HN 0.546 nan 8.180 nan 0.000 0.556 449 A N 1.998 124.252 122.820 -0.943 0.000 1.877 449 A HA -0.193 4.124 4.320 -0.004 0.000 0.216 449 A C 2.122 179.428 177.584 -0.463 0.000 1.186 449 A CA 1.964 53.390 52.037 -1.018 0.000 0.620 449 A CB -0.696 17.834 19.000 -0.783 0.000 0.822 449 A HN 0.072 nan 8.150 nan 0.000 0.443 450 K N -0.023 120.223 120.400 -0.256 0.000 2.097 450 K HA -0.034 4.283 4.320 -0.004 0.000 0.206 450 K C 1.784 178.318 176.600 -0.109 0.000 1.049 450 K CA 1.207 57.407 56.287 -0.146 0.000 0.933 450 K CB -0.623 31.830 32.500 -0.078 0.000 0.717 450 K HN 0.645 nan 8.250 nan 0.000 0.442 451 I N 0.635 121.162 120.570 -0.070 0.000 2.252 451 I HA -0.220 3.947 4.170 -0.004 0.000 0.245 451 I C 2.766 178.849 176.117 -0.056 0.000 1.102 451 I CA 0.889 62.183 61.300 -0.010 0.000 1.385 451 I CB -0.258 37.807 38.000 0.108 0.000 1.064 451 I HN 0.160 nan 8.210 nan 0.000 0.414 452 R N 1.140 121.561 120.500 -0.130 0.000 2.091 452 R HA -0.209 4.129 4.340 -0.004 0.000 0.238 452 R C 1.737 177.925 176.300 -0.186 0.000 1.136 452 R CA 2.064 58.059 56.100 -0.176 0.000 0.959 452 R CB -0.260 29.794 30.300 -0.410 0.000 0.856 452 R HN 0.304 nan 8.270 nan 0.000 0.437 453 D N 0.447 120.723 120.400 -0.207 0.000 2.097 453 D HA -0.137 4.500 4.640 -0.004 0.000 0.197 453 D C 1.836 178.059 176.300 -0.128 0.000 0.984 453 D CA 1.393 55.289 54.000 -0.173 0.000 0.826 453 D CB -0.150 40.554 40.800 -0.159 0.000 0.973 453 D HN 0.410 nan 8.370 nan 0.000 0.460 454 E N 0.081 120.222 120.200 -0.098 0.000 2.072 454 E HA -0.094 4.254 4.350 -0.004 0.000 0.190 454 E C 2.069 178.626 176.600 -0.072 0.000 0.982 454 E CA 0.311 56.669 56.400 -0.070 0.000 0.803 454 E CB -0.066 29.607 29.700 -0.045 0.000 0.755 454 E HN 0.196 nan 8.360 nan 0.000 0.453 455 M N 0.519 120.072 119.600 -0.080 0.000 2.082 455 M HA -0.161 4.316 4.480 -0.004 0.000 0.258 455 M C 2.195 178.425 176.300 -0.117 0.000 1.069 455 M CA 2.196 57.440 55.300 -0.094 0.000 1.102 455 M CB -0.404 32.139 32.600 -0.095 0.000 1.336 455 M HN 0.204 nan 8.290 nan 0.000 0.404 456 G N 0.598 109.322 108.800 -0.126 0.000 2.446 456 G HA2 -0.215 3.742 3.960 -0.004 0.000 0.217 456 G HA3 -0.215 3.742 3.960 -0.004 0.000 0.217 456 G C 1.403 176.250 174.900 -0.089 0.000 1.168 456 G CA 1.019 46.042 45.100 -0.129 0.000 0.771 456 G HN 0.479 nan 8.290 nan 0.000 0.551 457 L N 0.766 121.932 121.223 -0.095 0.000 2.017 457 L HA -0.032 4.305 4.340 -0.004 0.000 0.208 457 L C 3.407 180.276 176.870 -0.001 0.000 1.073 457 L CA 1.223 56.033 54.840 -0.050 0.000 0.745 457 L CB -0.391 41.639 42.059 -0.049 0.000 0.894 457 L HN 0.288 nan 8.230 nan 0.000 0.432 458 A N -0.760 122.047 122.820 -0.021 0.000 1.902 458 A HA -0.203 4.115 4.320 -0.004 0.000 0.217 458 A C 2.337 179.922 177.584 0.003 0.000 1.181 458 A CA 1.518 53.548 52.037 -0.011 0.000 0.623 458 A CB -0.381 18.598 19.000 -0.035 0.000 0.818 458 A HN 0.259 nan 8.150 nan 0.000 0.443 459 M N -0.705 118.875 119.600 -0.033 0.000 2.086 459 M HA -0.097 4.380 4.480 -0.004 0.000 0.261 459 M C 2.120 178.597 176.300 0.294 0.000 1.067 459 M CA 1.488 56.753 55.300 -0.058 0.000 1.116 459 M CB -1.210 31.136 32.600 -0.424 0.000 1.348 459 M HN 0.495 nan 8.290 nan 0.000 0.407 460 E N 0.506 120.936 120.200 0.383 0.000 2.031 460 E HA -0.229 4.118 4.350 -0.004 0.000 0.193 460 E C 1.859 178.598 176.600 0.231 0.000 0.994 460 E CA 1.546 58.188 56.400 0.402 0.000 0.800 460 E CB -0.152 29.716 29.700 0.281 0.000 0.752 460 E HN 0.615 nan 8.360 nan 0.000 0.447 461 E N -0.854 119.438 120.200 0.153 0.000 2.077 461 E HA -0.128 4.220 4.350 -0.004 0.000 0.193 461 E C 1.915 178.570 176.600 0.092 0.000 0.989 461 E CA 1.370 57.837 56.400 0.110 0.000 0.800 461 E CB -0.282 29.468 29.700 0.084 0.000 0.746 461 E HN 0.258 nan 8.360 nan 0.000 0.452 462 G N -0.459 108.394 108.800 0.088 0.000 2.492 462 G HA2 -0.090 3.868 3.960 -0.004 0.000 0.214 462 G HA3 -0.090 3.868 3.960 -0.004 0.000 0.214 462 G C 0.620 175.565 174.900 0.075 0.000 1.147 462 G CA 0.433 45.569 45.100 0.060 0.000 0.809 462 G HN 0.323 nan 8.290 nan 0.000 0.533 463 C N 2.178 121.571 119.300 0.155 0.000 2.627 463 C HA 0.666 5.124 4.460 -0.004 0.000 0.369 463 C C 1.339 176.454 174.990 0.209 0.000 1.246 463 C CA -1.149 57.988 59.018 0.198 0.000 1.663 463 C CB -0.566 27.336 27.740 0.270 0.000 1.778 463 C HN 0.389 nan 8.230 nan 0.000 0.516 464 G N 0.826 109.643 108.800 0.028 0.000 2.543 464 G HA2 0.446 4.404 3.960 -0.004 0.000 0.267 464 G HA3 0.446 4.404 3.960 -0.004 0.000 0.267 464 G C 0.997 175.677 174.900 -0.367 0.000 1.406 464 G CA -0.434 44.575 45.100 -0.152 0.000 1.048 464 G HN 0.255 nan 8.290 nan 0.000 0.548 465 I N -1.268 118.887 120.570 -0.691 0.000 2.286 465 I HA 0.001 4.168 4.170 -0.004 0.000 0.248 465 I C 0.380 176.000 176.117 -0.830 0.000 1.115 465 I CA 1.219 62.026 61.300 -0.822 0.000 1.392 465 I CB -0.993 36.444 38.000 -0.939 0.000 1.065 465 I HN 0.185 nan 8.210 nan 0.000 0.418 466 Y N 1.044 120.936 120.300 -0.680 0.000 2.350 466 Y HA 0.523 5.070 4.550 -0.004 0.000 0.338 466 Y C 0.280 175.892 175.900 -0.480 0.000 0.961 466 Y CA -0.846 56.865 58.100 -0.648 0.000 1.100 466 Y CB 1.446 39.313 38.460 -0.988 0.000 1.179 466 Y HN -0.106 nan 8.280 nan 0.000 0.454 467 R N 1.394 121.797 120.500 -0.161 0.000 2.514 467 R HA 0.525 4.862 4.340 -0.004 0.000 0.301 467 R C -0.632 175.618 176.300 -0.083 0.000 0.962 467 R CA -0.739 55.287 56.100 -0.123 0.000 0.882 467 R CB 1.753 31.978 30.300 -0.126 0.000 1.143 467 R HN 0.666 nan 8.270 nan 0.000 0.452 468 T N -0.601 113.929 114.554 -0.040 0.000 2.885 468 T HA 0.383 4.731 4.350 -0.004 0.000 0.285 468 T C -2.175 172.525 174.700 0.000 0.000 1.019 468 T CA -2.373 59.718 62.100 -0.016 0.000 1.010 468 T CB 2.151 71.024 68.868 0.009 0.000 1.022 468 T HN 0.179 nan 8.240 nan 0.000 0.466 469 P HA -0.075 nan 4.420 nan 0.000 0.216 469 P C 1.416 178.726 177.300 0.017 0.000 1.153 469 P CA 0.868 63.976 63.100 0.014 0.000 0.848 469 P CB 0.172 31.881 31.700 0.016 0.000 0.787 470 E N -0.162 120.049 120.200 0.019 0.000 2.058 470 E HA -0.189 4.158 4.350 -0.004 0.000 0.194 470 E C 1.890 178.503 176.600 0.023 0.000 0.997 470 E CA 1.135 57.549 56.400 0.023 0.000 0.801 470 E CB -0.550 29.168 29.700 0.029 0.000 0.746 470 E HN 0.149 nan 8.360 nan 0.000 0.450 471 L N 0.005 121.244 121.223 0.026 0.000 2.023 471 L HA -0.166 4.172 4.340 -0.004 0.000 0.205 471 L C 2.872 179.750 176.870 0.013 0.000 1.073 471 L CA 1.073 55.929 54.840 0.027 0.000 0.745 471 L CB -0.360 41.723 42.059 0.039 0.000 0.900 471 L HN 0.294 nan 8.230 nan 0.000 0.435 472 M N -0.687 118.918 119.600 0.008 0.000 2.103 472 M HA -0.336 4.142 4.480 -0.004 0.000 0.255 472 M C 2.357 178.640 176.300 -0.029 0.000 1.074 472 M CA 1.999 57.296 55.300 -0.006 0.000 1.090 472 M CB -0.434 32.170 32.600 0.006 0.000 1.325 472 M HN 0.230 nan 8.290 nan 0.000 0.403 473 Q N 0.777 120.569 119.800 -0.013 0.000 2.084 473 Q HA -0.171 4.166 4.340 -0.004 0.000 0.202 473 Q C 1.795 177.786 176.000 -0.015 0.000 0.978 473 Q CA 1.879 57.674 55.803 -0.014 0.000 0.844 473 Q CB -0.265 28.478 28.738 0.007 0.000 0.898 473 Q HN 0.425 nan 8.270 nan 0.000 0.426 474 K N -1.134 119.264 120.400 -0.003 0.000 2.063 474 K HA -0.138 4.180 4.320 -0.004 0.000 0.208 474 K C 1.951 178.544 176.600 -0.012 0.000 1.048 474 K CA 1.702 57.990 56.287 0.001 0.000 0.928 474 K CB -0.280 32.228 32.500 0.014 0.000 0.713 474 K HN 0.233 nan 8.250 nan 0.000 0.442 475 T N 1.329 115.870 114.554 -0.022 0.000 2.708 475 T HA -0.069 4.278 4.350 -0.004 0.000 0.266 475 T C 1.733 176.391 174.700 -0.071 0.000 1.037 475 T CA 1.468 63.544 62.100 -0.039 0.000 1.146 475 T CB -0.111 68.735 68.868 -0.036 0.000 0.865 475 T HN 0.206 nan 8.240 nan 0.000 0.435 476 I N 1.138 121.645 120.570 -0.104 0.000 2.361 476 I HA -0.175 3.993 4.170 -0.004 0.000 0.251 476 I C 2.080 178.161 176.117 -0.060 0.000 1.133 476 I CA 1.096 62.307 61.300 -0.147 0.000 1.413 476 I CB -0.359 37.488 38.000 -0.255 0.000 1.073 476 I HN 0.165 nan 8.210 nan 0.000 0.424 477 D N 0.746 121.126 120.400 -0.033 0.000 2.144 477 D HA -0.164 4.473 4.640 -0.004 0.000 0.200 477 D C 2.110 178.406 176.300 -0.007 0.000 0.978 477 D CA 1.039 55.034 54.000 -0.008 0.000 0.833 477 D CB -0.093 40.708 40.800 0.001 0.000 0.961 477 D HN 0.033 nan 8.370 nan 0.000 0.470 478 K N 0.503 120.894 120.400 -0.015 0.000 2.103 478 K HA 0.072 4.390 4.320 -0.004 0.000 0.204 478 K C 2.065 178.655 176.600 -0.018 0.000 1.052 478 K CA 0.471 56.750 56.287 -0.013 0.000 0.945 478 K CB -0.422 32.068 32.500 -0.017 0.000 0.722 478 K HN 0.127 nan 8.250 nan 0.000 0.443 479 L N -0.262 120.941 121.223 -0.033 0.000 2.046 479 L HA -0.158 4.180 4.340 -0.004 0.000 0.208 479 L C 2.331 179.195 176.870 -0.010 0.000 1.077 479 L CA 1.395 56.213 54.840 -0.037 0.000 0.747 479 L CB -0.625 41.396 42.059 -0.064 0.000 0.896 479 L HN 0.203 nan 8.230 nan 0.000 0.432 480 A N -0.244 122.579 122.820 0.005 0.000 1.902 480 A HA -0.267 4.051 4.320 -0.004 0.000 0.217 480 A C 2.253 179.854 177.584 0.029 0.000 1.181 480 A CA 1.852 53.905 52.037 0.026 0.000 0.623 480 A CB -0.549 18.473 19.000 0.036 0.000 0.818 480 A HN 0.479 nan 8.150 nan 0.000 0.443 481 E N -0.449 119.764 120.200 0.023 0.000 2.085 481 E HA -0.182 4.166 4.350 -0.004 0.000 0.194 481 E C 1.846 178.470 176.600 0.039 0.000 0.994 481 E CA 1.032 57.449 56.400 0.028 0.000 0.801 481 E CB -0.119 29.592 29.700 0.019 0.000 0.743 481 E HN 0.422 nan 8.360 nan 0.000 0.453 482 L N 1.016 122.257 121.223 0.031 0.000 2.046 482 L HA -0.192 4.146 4.340 -0.004 0.000 0.208 482 L C 2.566 179.487 176.870 0.085 0.000 1.077 482 L CA 1.516 56.384 54.840 0.046 0.000 0.747 482 L CB -1.290 40.775 42.059 0.011 0.000 0.896 482 L HN 0.315 nan 8.230 nan 0.000 0.432 483 Q N -0.401 119.434 119.800 0.058 0.000 2.096 483 Q HA -0.244 4.094 4.340 -0.004 0.000 0.204 483 Q C 2.053 178.141 176.000 0.147 0.000 0.982 483 Q CA 1.360 57.214 55.803 0.085 0.000 0.850 483 Q CB -0.249 28.514 28.738 0.042 0.000 0.901 483 Q HN 0.510 nan 8.270 nan 0.000 0.422 484 E N 1.287 121.546 120.200 0.099 0.000 2.051 484 E HA -0.194 4.154 4.350 -0.004 0.000 0.192 484 E C 1.772 178.432 176.600 0.100 0.000 0.991 484 E CA 1.080 57.532 56.400 0.087 0.000 0.799 484 E CB 0.033 29.766 29.700 0.055 0.000 0.748 484 E HN 0.287 nan 8.360 nan 0.000 0.449 485 R N -0.734 119.831 120.500 0.108 0.000 2.235 485 R HA -0.058 4.279 4.340 -0.004 0.000 0.213 485 R C 2.257 178.643 176.300 0.144 0.000 1.059 485 R CA 0.837 56.997 56.100 0.100 0.000 0.997 485 R CB -0.385 29.965 30.300 0.085 0.000 0.884 485 R HN 0.170 nan 8.270 nan 0.000 0.462 486 F N 2.056 122.028 119.950 0.037 0.000 2.186 486 F HA -0.118 4.407 4.527 -0.004 0.000 0.299 486 F C 1.498 177.324 175.800 0.043 0.000 1.090 486 F CA 1.455 59.486 58.000 0.051 0.000 1.307 486 F CB 0.120 39.151 39.000 0.050 0.000 1.019 486 F HN -0.229 nan 8.300 nan 0.000 0.489 487 K N -0.096 120.275 120.400 -0.048 0.000 2.288 487 K HA 0.012 4.329 4.320 -0.004 0.000 0.201 487 K C 1.154 177.683 176.600 -0.118 0.000 1.048 487 K CA 0.686 56.888 56.287 -0.142 0.000 0.956 487 K CB -0.059 32.432 32.500 -0.015 0.000 0.746 487 K HN 0.190 nan 8.250 nan 0.000 0.461 488 R N 1.000 121.466 120.500 -0.058 0.000 2.752 488 R HA 0.157 4.495 4.340 -0.004 0.000 0.279 488 R C -0.543 175.732 176.300 -0.041 0.000 1.212 488 R CA -0.045 56.033 56.100 -0.037 0.000 1.169 488 R CB 0.293 30.591 30.300 -0.003 0.000 1.286 488 R HN -0.072 nan 8.270 nan 0.000 0.564 489 V N 1.417 121.272 119.914 -0.099 0.000 2.472 489 V HA 0.294 4.411 4.120 -0.004 0.000 0.290 489 V C 0.069 176.115 176.094 -0.081 0.000 1.037 489 V CA -0.739 61.518 62.300 -0.072 0.000 0.908 489 V CB 2.026 33.785 31.823 -0.106 0.000 0.985 489 V HN 0.217 nan 8.190 nan 0.000 0.454 490 R N 5.235 125.719 120.500 -0.026 0.000 2.393 490 R HA 0.439 4.777 4.340 -0.004 0.000 0.315 490 R C -1.097 175.197 176.300 -0.010 0.000 0.952 490 R CA -0.843 55.240 56.100 -0.028 0.000 0.842 490 R CB 1.165 31.458 30.300 -0.012 0.000 1.163 490 R HN 0.530 nan 8.270 nan 0.000 0.450 491 I N 5.100 125.648 120.570 -0.037 0.000 2.278 491 I HA -0.019 4.148 4.170 -0.004 0.000 0.300 491 I C 1.779 177.883 176.117 -0.023 0.000 1.174 491 I CA 0.292 61.568 61.300 -0.040 0.000 1.347 491 I CB -0.347 37.606 38.000 -0.078 0.000 1.473 491 I HN 0.720 nan 8.210 nan 0.000 0.595 492 T N 2.604 117.161 114.554 0.005 0.000 2.759 492 T HA -0.167 4.181 4.350 -0.004 0.000 0.269 492 T C 0.870 175.570 174.700 0.000 0.000 1.042 492 T CA 1.045 63.150 62.100 0.009 0.000 1.140 492 T CB -0.123 68.763 68.868 0.029 0.000 0.864 492 T HN 0.582 nan 8.240 nan 0.000 0.455 493 D N 1.419 121.815 120.400 -0.007 0.000 2.371 493 D HA 0.051 4.688 4.640 -0.004 0.000 0.256 493 D C -0.473 175.807 176.300 -0.033 0.000 1.193 493 D CA 0.437 54.426 54.000 -0.017 0.000 0.881 493 D CB 0.982 41.766 40.800 -0.028 0.000 1.143 493 D HN 0.265 nan 8.370 nan 0.000 0.473 494 T N 1.840 116.381 114.554 -0.023 0.000 3.427 494 T HA 0.340 4.687 4.350 -0.004 0.000 0.306 494 T C -0.966 173.722 174.700 -0.020 0.000 1.733 494 T CA -0.482 61.602 62.100 -0.026 0.000 1.599 494 T CB -0.288 68.569 68.868 -0.019 0.000 0.964 494 T HN 0.153 nan 8.240 nan 0.000 0.701 495 S N 0.933 116.617 115.700 -0.027 0.000 2.536 495 S HA 0.495 4.963 4.470 -0.004 0.000 0.298 495 S C 0.953 175.541 174.600 -0.020 0.000 1.083 495 S CA -0.770 57.421 58.200 -0.015 0.000 0.995 495 S CB 2.010 65.207 63.200 -0.006 0.000 1.058 495 S HN 0.404 nan 8.310 nan 0.000 0.488 496 S N 0.872 116.569 115.700 -0.005 0.000 2.458 496 S HA 0.045 4.512 4.470 -0.004 0.000 0.223 496 S C 0.714 175.321 174.600 0.013 0.000 1.019 496 S CA 0.107 58.306 58.200 -0.002 0.000 0.937 496 S CB -0.053 63.152 63.200 0.008 0.000 0.788 496 S HN 0.669 nan 8.310 nan 0.000 0.511 497 V N 0.853 120.786 119.914 0.031 0.000 2.370 497 V HA 0.450 4.568 4.120 -0.004 0.000 0.257 497 V C 0.154 176.331 176.094 0.138 0.000 1.064 497 V CA -0.712 61.632 62.300 0.073 0.000 0.975 497 V CB -1.278 30.580 31.823 0.058 0.000 1.067 497 V HN 0.399 nan 8.190 nan 0.000 0.485 498 F N 3.101 123.011 119.950 -0.067 0.000 2.866 498 F HA -0.216 4.308 4.527 -0.004 0.000 0.254 498 F C 0.708 176.435 175.800 -0.121 0.000 1.009 498 F CA 0.785 58.728 58.000 -0.094 0.000 0.907 498 F CB -0.811 38.144 39.000 -0.075 0.000 0.859 498 F HN 0.871 nan 8.300 nan 0.000 0.842 499 N N 1.317 119.895 118.700 -0.202 0.000 2.508 499 N HA 0.100 4.838 4.740 -0.004 0.000 0.253 499 N C 1.346 176.592 175.510 -0.439 0.000 1.145 499 N CA 0.675 53.584 53.050 -0.235 0.000 0.973 499 N CB 0.605 38.996 38.487 -0.160 0.000 1.305 499 N HN 0.452 nan 8.380 nan 0.000 0.506 500 T N -0.159 114.073 114.554 -0.537 0.000 2.867 500 T HA -0.146 4.201 4.350 -0.004 0.000 0.268 500 T C 1.394 175.557 174.700 -0.894 0.000 1.057 500 T CA 0.980 62.533 62.100 -0.913 0.000 1.136 500 T CB -0.129 68.214 68.868 -0.875 0.000 0.874 500 T HN 0.348 nan 8.240 nan 0.000 0.466 501 D N 1.097 121.209 120.400 -0.480 0.000 2.106 501 D HA -0.125 4.512 4.640 -0.004 0.000 0.191 501 D C 2.041 178.068 176.300 -0.456 0.000 0.997 501 D CA 0.952 54.721 54.000 -0.385 0.000 0.834 501 D CB -0.437 40.261 40.800 -0.170 0.000 0.956 501 D HN 0.208 nan 8.370 nan 0.000 0.448 502 L N 0.441 121.460 121.223 -0.340 0.000 2.042 502 L HA -0.134 4.203 4.340 -0.004 0.000 0.210 502 L C 2.184 178.865 176.870 -0.315 0.000 1.076 502 L CA 1.415 56.094 54.840 -0.268 0.000 0.749 502 L CB -0.870 41.077 42.059 -0.188 0.000 0.893 502 L HN 0.274 nan 8.230 nan 0.000 0.432 503 L N -1.370 119.575 121.223 -0.463 0.000 2.046 503 L HA -0.272 4.066 4.340 -0.004 0.000 0.208 503 L C 2.502 179.084 176.870 -0.480 0.000 1.077 503 L CA 1.462 56.000 54.840 -0.504 0.000 0.747 503 L CB -0.680 40.927 42.059 -0.753 0.000 0.896 503 L HN 0.246 nan 8.230 nan 0.000 0.432 504 Y N -0.969 118.985 120.300 -0.577 0.000 2.475 504 Y HA -0.090 4.457 4.550 -0.004 0.000 0.289 504 Y C 2.610 178.022 175.900 -0.815 0.000 1.121 504 Y CA 0.464 58.087 58.100 -0.795 0.000 1.257 504 Y CB -0.319 37.364 38.460 -1.295 0.000 1.026 504 Y HN 0.146 nan 8.280 nan 0.000 0.555 505 T N 0.650 114.871 114.554 -0.555 0.000 3.035 505 T HA -0.104 4.244 4.350 -0.004 0.000 0.268 505 T C 1.769 176.536 174.700 0.111 0.000 1.109 505 T CA 0.824 62.804 62.100 -0.200 0.000 1.119 505 T CB -0.049 68.697 68.868 -0.203 0.000 0.900 505 T HN 0.444 nan 8.240 nan 0.000 0.503 506 I N 0.883 121.468 120.570 0.025 0.000 2.400 506 I HA -0.029 4.138 4.170 -0.004 0.000 0.248 506 I C 2.141 178.244 176.117 -0.023 0.000 1.109 506 I CA 1.217 62.571 61.300 0.091 0.000 1.425 506 I CB -0.020 38.007 38.000 0.045 0.000 1.094 506 I HN 0.164 nan 8.210 nan 0.000 0.425 507 E N 0.813 120.977 120.200 -0.060 0.000 2.110 507 E HA -0.256 4.092 4.350 -0.004 0.000 0.193 507 E C 2.104 178.708 176.600 0.007 0.000 0.988 507 E CA 1.300 57.653 56.400 -0.078 0.000 0.804 507 E CB -0.205 29.476 29.700 -0.031 0.000 0.745 507 E HN 0.414 nan 8.360 nan 0.000 0.458 508 L N 1.020 122.284 121.223 0.068 0.000 2.012 508 L HA -0.069 4.269 4.340 -0.004 0.000 0.210 508 L C 2.194 178.973 176.870 -0.152 0.000 1.073 508 L CA 2.359 57.258 54.840 0.098 0.000 0.748 508 L CB -1.029 41.237 42.059 0.345 0.000 0.891 508 L HN 0.067 nan 8.230 nan 0.000 0.431 509 G N -1.592 107.020 108.800 -0.312 0.000 2.440 509 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.218 509 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.218 509 G C 1.507 176.279 174.900 -0.214 0.000 1.154 509 G CA 1.032 45.688 45.100 -0.739 0.000 0.767 509 G HN 0.670 nan 8.290 nan 0.000 0.552 510 H N 0.125 119.092 119.070 -0.170 0.000 2.423 510 H HA -0.044 4.509 4.556 -0.004 0.000 0.297 510 H C 2.898 178.153 175.328 -0.121 0.000 1.075 510 H CA 0.418 56.402 56.048 -0.107 0.000 1.342 510 H CB 0.072 29.814 29.762 -0.033 0.000 1.395 510 H HN 0.437 nan 8.280 nan 0.000 0.530 511 G N 0.920 109.723 108.800 0.005 0.000 2.402 511 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.216 511 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.216 511 G C 1.763 176.593 174.900 -0.117 0.000 1.162 511 G CA 0.281 45.343 45.100 -0.062 0.000 0.777 511 G HN 0.191 nan 8.290 nan 0.000 0.539 512 L N 0.737 121.866 121.223 -0.157 0.000 2.012 512 L HA -0.120 4.218 4.340 -0.004 0.000 0.210 512 L C 2.737 179.529 176.870 -0.131 0.000 1.073 512 L CA 1.147 55.889 54.840 -0.163 0.000 0.748 512 L CB -0.470 41.452 42.059 -0.227 0.000 0.891 512 L HN 0.136 nan 8.230 nan 0.000 0.431 513 N N -0.357 118.261 118.700 -0.136 0.000 2.166 513 N HA -0.144 4.593 4.740 -0.004 0.000 0.186 513 N C 1.812 177.264 175.510 -0.096 0.000 1.019 513 N CA 1.166 54.152 53.050 -0.108 0.000 0.856 513 N CB -0.623 37.785 38.487 -0.130 0.000 0.993 513 N HN 0.131 nan 8.380 nan 0.000 0.426 514 V N 1.222 121.072 119.914 -0.106 0.000 2.453 514 V HA -0.103 4.015 4.120 -0.004 0.000 0.247 514 V C 2.371 178.393 176.094 -0.120 0.000 1.048 514 V CA 1.529 63.764 62.300 -0.108 0.000 1.049 514 V CB -0.943 30.819 31.823 -0.102 0.000 0.672 514 V HN 0.297 nan 8.190 nan 0.000 0.457 515 A N 0.045 122.783 122.820 -0.137 0.000 1.877 515 A HA -0.257 4.060 4.320 -0.004 0.000 0.216 515 A C 2.167 179.675 177.584 -0.127 0.000 1.186 515 A CA 2.003 53.940 52.037 -0.168 0.000 0.620 515 A CB -0.474 18.420 19.000 -0.177 0.000 0.822 515 A HN 0.622 nan 8.150 nan 0.000 0.443 516 E N -1.171 118.984 120.200 -0.074 0.000 2.106 516 E HA -0.180 4.167 4.350 -0.004 0.000 0.192 516 E C 2.038 178.687 176.600 0.082 0.000 0.984 516 E CA 0.992 57.395 56.400 0.006 0.000 0.806 516 E CB -0.418 29.344 29.700 0.103 0.000 0.750 516 E HN 0.639 nan 8.360 nan 0.000 0.458 517 C N 0.623 119.929 119.300 0.009 0.000 2.413 517 C HA -0.173 4.285 4.460 -0.004 0.000 0.276 517 C C 2.649 177.607 174.990 -0.054 0.000 1.248 517 C CA 0.965 59.969 59.018 -0.024 0.000 1.742 517 C CB -0.645 27.047 27.740 -0.081 0.000 2.017 517 C HN 0.441 nan 8.230 nan 0.000 0.481 518 M N 0.149 119.696 119.600 -0.088 0.000 2.123 518 M HA -0.066 4.411 4.480 -0.004 0.000 0.263 518 M C 2.488 178.724 176.300 -0.107 0.000 1.069 518 M CA 1.911 57.145 55.300 -0.110 0.000 1.133 518 M CB -0.537 31.995 32.600 -0.114 0.000 1.356 518 M HN 0.446 nan 8.290 nan 0.000 0.415 519 A N -0.322 122.429 122.820 -0.115 0.000 1.873 519 A HA -0.180 4.138 4.320 -0.004 0.000 0.215 519 A C 1.900 179.390 177.584 -0.156 0.000 1.186 519 A CA 1.461 53.410 52.037 -0.147 0.000 0.616 519 A CB -1.082 17.791 19.000 -0.212 0.000 0.823 519 A HN 0.460 nan 8.150 nan 0.000 0.442 520 H N 0.005 119.041 119.070 -0.055 0.000 2.389 520 H HA -0.049 4.505 4.556 -0.004 0.000 0.299 520 H C 2.544 177.841 175.328 -0.052 0.000 1.081 520 H CA 1.592 57.618 56.048 -0.037 0.000 1.345 520 H CB -0.250 29.493 29.762 -0.032 0.000 1.393 520 H HN 0.483 nan 8.280 nan 0.000 0.520 521 S N 0.585 116.289 115.700 0.006 0.000 2.368 521 S HA -0.129 4.338 4.470 -0.004 0.000 0.225 521 S C 2.461 176.959 174.600 -0.171 0.000 1.030 521 S CA 0.945 59.084 58.200 -0.101 0.000 0.999 521 S CB -0.204 62.876 63.200 -0.201 0.000 0.844 521 S HN 0.531 nan 8.310 nan 0.000 0.459 522 A N 1.385 124.076 122.820 -0.215 0.000 1.873 522 A HA -0.034 4.284 4.320 -0.004 0.000 0.215 522 A C 2.145 179.699 177.584 -0.050 0.000 1.186 522 A CA 1.772 53.633 52.037 -0.293 0.000 0.616 522 A CB -0.653 18.291 19.000 -0.095 0.000 0.823 522 A HN 0.456 nan 8.150 nan 0.000 0.442 523 M N 0.441 120.044 119.600 0.005 0.000 2.117 523 M HA -0.055 4.423 4.480 -0.004 0.000 0.262 523 M C 2.111 178.460 176.300 0.082 0.000 1.065 523 M CA 1.983 57.311 55.300 0.046 0.000 1.114 523 M CB -0.533 32.081 32.600 0.024 0.000 1.361 523 M HN 0.352 nan 8.290 nan 0.000 0.408 524 A N 0.047 122.939 122.820 0.119 0.000 1.902 524 A HA -0.125 4.192 4.320 -0.004 0.000 0.217 524 A C 1.660 179.382 177.584 0.231 0.000 1.181 524 A CA 1.077 53.243 52.037 0.215 0.000 0.623 524 A CB -0.729 18.449 19.000 0.297 0.000 0.818 524 A HN 0.561 nan 8.150 nan 0.000 0.443 525 R N 0.605 121.161 120.500 0.095 0.000 2.421 525 R HA 0.080 4.418 4.340 -0.004 0.000 0.305 525 R C -0.252 175.821 176.300 -0.378 0.000 1.039 525 R CA 0.017 56.001 56.100 -0.193 0.000 1.003 525 R CB 0.333 30.492 30.300 -0.236 0.000 0.959 525 R HN 0.032 nan 8.270 nan 0.000 0.427 526 K N 3.872 123.704 120.400 -0.947 0.000 2.498 526 K HA 0.060 4.377 4.320 -0.004 0.000 0.207 526 K C -0.534 175.792 176.600 -0.457 0.000 1.033 526 K CA 0.126 56.138 56.287 -0.459 0.000 1.138 526 K CB 0.434 32.878 32.500 -0.093 0.000 0.860 526 K HN 0.733 nan 8.250 nan 0.000 0.490 527 E N -1.282 118.593 120.200 -0.542 0.000 2.359 527 E HA 0.434 4.782 4.350 -0.004 0.000 0.266 527 E C -1.021 175.557 176.600 -0.037 0.000 0.920 527 E CA -0.877 55.390 56.400 -0.221 0.000 0.788 527 E CB 1.483 31.078 29.700 -0.174 0.000 1.279 527 E HN -0.270 nan 8.360 nan 0.000 0.438 528 S N 0.877 116.577 115.700 0.000 0.000 2.438 528 S HA 0.441 4.909 4.470 -0.004 0.000 0.316 528 S C -0.757 173.900 174.600 0.095 0.000 1.084 528 S CA -0.758 57.457 58.200 0.025 0.000 1.107 528 S CB 0.538 63.722 63.200 -0.026 0.000 0.981 528 S HN 0.486 nan 8.310 nan 0.000 0.466 529 R N 2.184 122.796 120.500 0.186 0.000 2.651 529 R HA 0.579 4.917 4.340 -0.004 0.000 0.278 529 R C 0.806 177.230 176.300 0.207 0.000 1.010 529 R CA 0.202 56.414 56.100 0.188 0.000 0.896 529 R CB 0.967 31.395 30.300 0.214 0.000 1.211 529 R HN 0.790 nan 8.270 nan 0.000 0.456 530 G N 2.354 111.225 108.800 0.119 0.000 2.690 530 G HA2 -0.499 3.459 3.960 -0.004 0.000 0.334 530 G HA3 -0.499 3.459 3.960 -0.004 0.000 0.334 530 G C 0.865 175.833 174.900 0.114 0.000 1.250 530 G CA 1.153 46.303 45.100 0.083 0.000 0.994 530 G HN 0.954 nan 8.290 nan 0.000 0.549 531 A N -0.637 122.290 122.820 0.178 0.000 2.014 531 A HA 0.237 4.554 4.320 -0.004 0.000 0.218 531 A C 1.309 179.029 177.584 0.226 0.000 1.163 531 A CA 2.043 54.201 52.037 0.202 0.000 0.652 531 A CB -0.321 18.848 19.000 0.282 0.000 0.808 531 A HN 1.246 nan 8.150 nan 0.000 0.449 532 H N 1.012 120.212 119.070 0.217 0.000 2.723 532 H HA 0.469 5.023 4.556 -0.004 0.000 0.294 532 H C -0.656 174.703 175.328 0.053 0.000 1.079 532 H CA -0.097 56.027 56.048 0.127 0.000 1.411 532 H CB 0.225 30.085 29.762 0.163 0.000 1.439 532 H HN 0.202 nan 8.280 nan 0.000 0.474 533 Q N 4.858 124.452 119.800 -0.345 0.000 2.323 533 Q HA 0.344 4.681 4.340 -0.004 0.000 0.271 533 Q C -0.597 175.219 176.000 -0.305 0.000 1.048 533 Q CA -0.834 54.815 55.803 -0.258 0.000 0.792 533 Q CB 2.602 31.243 28.738 -0.163 0.000 1.280 533 Q HN 0.822 nan 8.270 nan 0.000 0.441 534 R N 1.566 121.935 120.500 -0.218 0.000 2.686 534 R HA 0.530 4.867 4.340 -0.004 0.000 0.286 534 R C 0.349 176.605 176.300 -0.074 0.000 0.969 534 R CA -0.739 55.265 56.100 -0.160 0.000 0.898 534 R CB 1.262 31.449 30.300 -0.190 0.000 1.183 534 R HN 0.463 nan 8.270 nan 0.000 0.456 535 L N 0.731 121.906 121.223 -0.081 0.000 2.131 535 L HA -0.067 4.271 4.340 -0.004 0.000 0.206 535 L C 0.703 177.539 176.870 -0.057 0.000 1.087 535 L CA 0.746 55.527 54.840 -0.098 0.000 0.767 535 L CB -0.320 41.661 42.059 -0.131 0.000 0.917 535 L HN 0.803 nan 8.230 nan 0.000 0.441 536 D N 1.918 122.293 120.400 -0.042 0.000 2.488 536 D HA -0.081 4.557 4.640 -0.004 0.000 0.238 536 D C -0.065 176.224 176.300 -0.019 0.000 1.138 536 D CA -0.187 53.799 54.000 -0.023 0.000 0.873 536 D CB 0.621 41.413 40.800 -0.013 0.000 1.183 536 D HN 0.113 nan 8.370 nan 0.000 0.458 537 E N 1.466 121.661 120.200 -0.010 0.000 2.413 537 E HA 0.249 4.596 4.350 -0.004 0.000 0.263 537 E C 1.283 177.883 176.600 0.001 0.000 1.015 537 E CA 0.107 56.504 56.400 -0.004 0.000 0.916 537 E CB 0.244 29.944 29.700 0.000 0.000 0.947 537 E HN 0.831 nan 8.360 nan 0.000 0.440 538 G N 1.734 110.537 108.800 0.004 0.000 2.253 538 G HA2 -0.349 3.608 3.960 -0.004 0.000 0.251 538 G HA3 -0.349 3.608 3.960 -0.004 0.000 0.251 538 G C 0.841 175.745 174.900 0.005 0.000 0.998 538 G CA 0.234 45.341 45.100 0.012 0.000 0.621 538 G HN 0.604 nan 8.290 nan 0.000 0.524 539 C N 1.122 120.415 119.300 -0.012 0.000 3.188 539 C HA 0.307 4.764 4.460 -0.004 0.000 0.315 539 C C 2.957 177.928 174.990 -0.032 0.000 1.285 539 C CA 1.511 60.508 59.018 -0.035 0.000 1.729 539 C CB -0.484 27.226 27.740 -0.050 0.000 2.257 539 C HN 0.853 nan 8.230 nan 0.000 0.645 540 T N -0.203 114.340 114.554 -0.019 0.000 2.737 540 T HA -0.176 4.172 4.350 -0.004 0.000 0.269 540 T C 0.513 175.215 174.700 0.004 0.000 1.040 540 T CA 1.496 63.589 62.100 -0.012 0.000 1.142 540 T CB -0.042 68.821 68.868 -0.008 0.000 0.861 540 T HN 0.650 nan 8.240 nan 0.000 0.456 541 E N 0.242 120.448 120.200 0.009 0.000 2.243 541 E HA 0.475 4.823 4.350 -0.004 0.000 0.260 541 E C -0.359 176.257 176.600 0.026 0.000 0.985 541 E CA -1.143 55.270 56.400 0.021 0.000 0.858 541 E CB 1.503 31.216 29.700 0.021 0.000 1.210 541 E HN 0.183 nan 8.360 nan 0.000 0.411 542 R N 1.210 121.733 120.500 0.038 0.000 2.543 542 R HA 0.004 4.341 4.340 -0.004 0.000 0.277 542 R C -0.858 175.474 176.300 0.053 0.000 1.074 542 R CA 0.197 56.329 56.100 0.053 0.000 1.076 542 R CB 0.452 30.785 30.300 0.055 0.000 0.993 542 R HN 0.333 nan 8.270 nan 0.000 0.459 543 D N 2.913 123.364 120.400 0.086 0.000 2.412 543 D HA 0.116 4.754 4.640 -0.004 0.000 0.276 543 D C -0.404 175.975 176.300 0.131 0.000 1.196 543 D CA -0.397 53.672 54.000 0.115 0.000 0.905 543 D CB 0.997 41.906 40.800 0.182 0.000 1.081 543 D HN 0.477 nan 8.370 nan 0.000 0.502 544 D N 0.985 121.421 120.400 0.059 0.000 2.144 544 D HA -0.139 4.499 4.640 -0.004 0.000 0.199 544 D C 2.031 178.346 176.300 0.025 0.000 0.984 544 D CA 0.666 54.683 54.000 0.029 0.000 0.834 544 D CB 0.391 41.162 40.800 -0.048 0.000 0.955 544 D HN 0.320 nan 8.370 nan 0.000 0.465 545 V N 0.542 120.468 119.914 0.019 0.000 2.323 545 V HA -0.148 3.970 4.120 -0.004 0.000 0.244 545 V C 1.592 177.674 176.094 -0.021 0.000 1.041 545 V CA 1.706 64.005 62.300 -0.003 0.000 1.025 545 V CB -0.217 31.602 31.823 -0.006 0.000 0.656 545 V HN 0.176 nan 8.190 nan 0.000 0.451 546 N N -1.268 117.435 118.700 0.005 0.000 2.290 546 N HA 0.018 4.755 4.740 -0.004 0.000 0.179 546 N C 0.853 176.196 175.510 -0.279 0.000 1.016 546 N CA 1.374 54.362 53.050 -0.104 0.000 0.871 546 N CB 0.152 38.646 38.487 0.011 0.000 0.987 546 N HN 0.529 nan 8.380 nan 0.000 0.431 547 F N 0.476 120.411 119.950 -0.025 0.000 2.764 547 F HA 0.261 4.786 4.527 -0.004 0.000 0.310 547 F C 0.144 175.966 175.800 0.037 0.000 1.124 547 F CA -0.480 57.517 58.000 -0.006 0.000 1.252 547 F CB 0.516 39.534 39.000 0.030 0.000 1.010 547 F HN -0.116 nan 8.300 nan 0.000 0.518 548 L N 3.533 124.829 121.223 0.122 0.000 2.416 548 L HA 0.190 4.528 4.340 -0.004 0.000 0.243 548 L C -0.012 176.885 176.870 0.045 0.000 1.373 548 L CA 0.439 55.331 54.840 0.086 0.000 1.227 548 L CB -1.637 40.450 42.059 0.047 0.000 1.428 548 L HN 0.178 nan 8.230 nan 0.000 0.425 549 K N 0.030 120.483 120.400 0.088 0.000 2.562 549 K HA 0.400 4.717 4.320 -0.004 0.000 0.267 549 K C -1.100 175.594 176.600 0.155 0.000 0.938 549 K CA -0.911 55.421 56.287 0.074 0.000 0.840 549 K CB 0.751 33.349 32.500 0.163 0.000 1.390 549 K HN 0.113 nan 8.250 nan 0.000 0.428 550 H N 0.508 119.730 119.070 0.252 0.000 2.732 550 H HA 0.135 4.689 4.556 -0.004 0.000 0.351 550 H C -0.335 175.066 175.328 0.122 0.000 1.090 550 H CA 0.399 56.575 56.048 0.213 0.000 1.431 550 H CB 0.946 30.779 29.762 0.118 0.000 1.447 550 H HN 0.452 nan 8.280 nan 0.000 0.582 551 T N 4.582 119.216 114.554 0.135 0.000 2.743 551 T HA 0.296 4.643 4.350 -0.004 0.000 0.293 551 T C -0.001 174.580 174.700 -0.199 0.000 0.945 551 T CA -0.592 61.370 62.100 -0.229 0.000 1.030 551 T CB 0.002 68.742 68.868 -0.214 0.000 0.912 551 T HN 0.281 nan 8.240 nan 0.000 0.483 552 L N 3.142 124.201 121.223 -0.273 0.000 2.294 552 L HA 0.706 5.043 4.340 -0.004 0.000 0.283 552 L C 0.225 176.958 176.870 -0.228 0.000 1.015 552 L CA -1.005 53.692 54.840 -0.239 0.000 0.831 552 L CB 1.164 43.143 42.059 -0.133 0.000 1.217 552 L HN 0.615 nan 8.230 nan 0.000 0.420 553 A N 3.679 126.313 122.820 -0.309 0.000 2.304 553 A HA 0.855 5.173 4.320 -0.004 0.000 0.323 553 A C -1.074 176.322 177.584 -0.314 0.000 1.195 553 A CA -0.288 51.644 52.037 -0.176 0.000 0.826 553 A CB 0.519 19.441 19.000 -0.130 0.000 1.184 553 A HN 0.481 nan 8.150 nan 0.000 0.496 554 F N 1.199 121.087 119.950 -0.103 0.000 2.495 554 F HA 0.536 5.060 4.527 -0.005 0.000 0.327 554 F C 0.768 176.511 175.800 -0.095 0.000 1.103 554 F CA -0.535 57.411 58.000 -0.090 0.000 0.949 554 F CB 1.774 40.726 39.000 -0.080 0.000 1.142 554 F HN 0.508 nan 8.300 nan 0.000 0.457 555 R N 2.411 122.947 120.500 0.061 0.000 2.229 555 R HA 0.259 4.597 4.340 -0.004 0.000 0.328 555 R C -1.044 175.262 176.300 0.011 0.000 1.009 555 R CA -0.567 55.534 56.100 0.003 0.000 0.864 555 R CB 0.754 31.027 30.300 -0.045 0.000 1.085 555 R HN 0.637 nan 8.270 nan 0.000 0.453 556 D N 1.626 122.024 120.400 -0.004 0.000 2.340 556 D HA 0.154 4.792 4.640 -0.004 0.000 0.251 556 D C 1.054 177.336 176.300 -0.029 0.000 1.080 556 D CA -0.150 53.841 54.000 -0.016 0.000 0.971 556 D CB 1.423 42.207 40.800 -0.026 0.000 1.137 556 D HN 0.563 nan 8.370 nan 0.000 0.475 557 A N 1.267 124.066 122.820 -0.034 0.000 1.986 557 A HA -0.240 4.078 4.320 -0.004 0.000 0.220 557 A C 1.475 179.043 177.584 -0.027 0.000 1.171 557 A CA 2.135 54.151 52.037 -0.036 0.000 0.640 557 A CB -0.543 18.435 19.000 -0.036 0.000 0.811 557 A HN 0.667 nan 8.150 nan 0.000 0.451 558 D N -1.897 118.489 120.400 -0.024 0.000 2.310 558 D HA 0.168 4.805 4.640 -0.004 0.000 0.212 558 D C 1.274 177.566 176.300 -0.013 0.000 0.965 558 D CA 1.277 55.267 54.000 -0.018 0.000 0.879 558 D CB -0.773 40.015 40.800 -0.019 0.000 0.921 558 D HN 1.032 nan 8.370 nan 0.000 0.510 559 G N -0.264 108.525 108.800 -0.018 0.000 2.159 559 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.227 559 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.227 559 G C 0.308 175.196 174.900 -0.020 0.000 0.986 559 G CA 0.309 45.401 45.100 -0.015 0.000 0.651 559 G HN 0.802 nan 8.290 nan 0.000 0.523 560 T N -0.233 114.301 114.554 -0.033 0.000 2.799 560 T HA 0.621 4.968 4.350 -0.004 0.000 0.286 560 T C 0.338 174.988 174.700 -0.083 0.000 0.973 560 T CA 0.263 62.328 62.100 -0.059 0.000 1.035 560 T CB 1.877 70.710 68.868 -0.059 0.000 0.932 560 T HN 0.338 nan 8.240 nan 0.000 0.469 561 T N 4.400 118.864 114.554 -0.150 0.000 2.907 561 T HA 0.430 4.777 4.350 -0.004 0.000 0.298 561 T C 0.340 174.928 174.700 -0.186 0.000 1.017 561 T CA -0.633 61.367 62.100 -0.167 0.000 1.118 561 T CB 0.390 69.122 68.868 -0.228 0.000 0.948 561 T HN 0.594 nan 8.240 nan 0.000 0.531 562 R N 1.273 121.739 120.500 -0.056 0.000 2.837 562 R HA 0.692 5.030 4.340 -0.004 0.000 0.271 562 R C -1.111 175.226 176.300 0.062 0.000 0.993 562 R CA -0.958 55.132 56.100 -0.017 0.000 0.931 562 R CB 1.741 32.038 30.300 -0.006 0.000 1.206 562 R HN 0.452 nan 8.270 nan 0.000 0.474 563 L N 1.187 122.435 121.223 0.041 0.000 2.365 563 L HA 0.549 4.886 4.340 -0.004 0.000 0.273 563 L C -0.463 176.431 176.870 0.040 0.000 1.000 563 L CA -0.631 54.215 54.840 0.010 0.000 0.819 563 L CB 2.146 44.184 42.059 -0.035 0.000 1.284 563 L HN 0.519 nan 8.230 nan 0.000 0.418 564 E N 1.416 121.624 120.200 0.013 0.000 2.317 564 E HA 0.510 4.858 4.350 -0.004 0.000 0.270 564 E C -1.775 174.781 176.600 -0.074 0.000 0.885 564 E CA -0.787 55.663 56.400 0.084 0.000 0.760 564 E CB 2.932 32.743 29.700 0.185 0.000 1.227 564 E HN 0.295 nan 8.360 nan 0.000 0.434 565 Y N 0.163 120.521 120.300 0.097 0.000 2.528 565 Y HA 0.479 5.027 4.550 -0.004 0.000 0.335 565 Y C 0.233 176.196 175.900 0.104 0.000 1.093 565 Y CA -0.530 57.626 58.100 0.095 0.000 1.134 565 Y CB 2.292 40.776 38.460 0.040 0.000 1.253 565 Y HN 0.322 nan 8.280 nan 0.000 0.478 566 S N 1.007 116.877 115.700 0.284 0.000 2.536 566 S HA 0.365 4.832 4.470 -0.004 0.000 0.287 566 S C -1.449 173.299 174.600 0.247 0.000 1.101 566 S CA -0.936 57.411 58.200 0.245 0.000 0.950 566 S CB 0.722 64.072 63.200 0.251 0.000 1.056 566 S HN 0.599 nan 8.310 nan 0.000 0.481 567 D N 2.034 122.543 120.400 0.181 0.000 2.372 567 D HA 0.237 4.875 4.640 -0.004 0.000 0.243 567 D C -0.318 176.088 176.300 0.176 0.000 1.121 567 D CA 0.180 54.260 54.000 0.134 0.000 0.898 567 D CB 1.319 42.176 40.800 0.096 0.000 1.202 567 D HN 0.311 nan 8.370 nan 0.000 0.428 568 V N 3.125 123.096 119.914 0.095 0.000 2.364 568 V HA 0.073 4.191 4.120 -0.004 0.000 0.272 568 V C 0.419 176.596 176.094 0.138 0.000 1.036 568 V CA -0.863 61.506 62.300 0.115 0.000 0.880 568 V CB 1.161 32.965 31.823 -0.031 0.000 0.991 568 V HN 0.356 nan 8.190 nan 0.000 0.460 569 K N 6.261 126.759 120.400 0.164 0.000 2.447 569 K HA 0.192 4.509 4.320 -0.004 0.000 0.281 569 K C -0.618 176.070 176.600 0.148 0.000 1.031 569 K CA 0.304 56.671 56.287 0.133 0.000 1.019 569 K CB 0.091 32.661 32.500 0.117 0.000 0.918 569 K HN 0.457 nan 8.250 nan 0.000 0.476 570 I N 4.525 125.182 120.570 0.146 0.000 2.460 570 I HA 0.253 4.420 4.170 -0.004 0.000 0.298 570 I C 1.041 177.257 176.117 0.165 0.000 0.989 570 I CA -0.451 60.957 61.300 0.180 0.000 1.173 570 I CB 0.942 39.053 38.000 0.186 0.000 1.338 570 I HN 1.004 nan 8.210 nan 0.000 0.456 571 T N 0.404 115.081 114.554 0.205 0.000 2.292 571 T HA 0.064 4.411 4.350 -0.004 0.000 0.205 571 T C 1.210 176.012 174.700 0.171 0.000 0.863 571 T CA 0.481 62.676 62.100 0.159 0.000 1.243 571 T CB 0.059 68.997 68.868 0.117 0.000 3.036 571 T HN 0.508 nan 8.240 nan 0.000 0.446 572 T N 0.158 114.801 114.554 0.148 0.000 3.160 572 T HA 0.191 4.539 4.350 -0.004 0.000 0.257 572 T C 0.243 175.094 174.700 0.252 0.000 1.147 572 T CA -0.236 61.955 62.100 0.151 0.000 1.064 572 T CB -1.036 67.878 68.868 0.076 0.000 0.949 572 T HN 0.323 nan 8.240 nan 0.000 0.526 573 L N 4.647 126.086 121.223 0.359 0.000 2.288 573 L HA 0.480 4.817 4.340 -0.004 0.000 0.283 573 L C -2.381 174.741 176.870 0.420 0.000 1.072 573 L CA -2.743 52.339 54.840 0.404 0.000 0.862 573 L CB 1.104 43.378 42.059 0.359 0.000 1.245 573 L HN -0.043 nan 8.230 nan 0.000 0.432 574 P HA 0.252 nan 4.420 nan 0.000 0.276 574 P C -2.627 174.779 177.300 0.176 0.000 1.253 574 P CA -1.415 61.823 63.100 0.230 0.000 0.766 574 P CB 0.128 31.918 31.700 0.150 0.000 0.845 575 P HA 0.084 nan 4.420 nan 0.000 0.266 575 P C -1.140 175.946 177.300 -0.358 0.000 1.195 575 P CA 1.069 63.826 63.100 -0.571 0.000 0.768 575 P CB 0.317 31.733 31.700 -0.473 0.000 0.838 576 A N 0.000 122.528 122.820 -0.486 0.000 2.254 576 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 576 A CA 0.000 51.883 52.037 -0.257 0.000 0.836 576 A CB 0.000 18.904 19.000 -0.160 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486