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 1l0v_1_A 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 0.000 176.315 176.300 0.025 0.000 1.140 0 M CA 0.000 55.322 55.300 0.037 0.000 0.988 0 M CB 0.000 32.627 32.600 0.045 0.000 1.302 1 Q N 1.324 121.150 119.800 0.042 0.000 2.354 1 Q HA 0.547 4.887 4.340 -0.001 0.000 0.244 1 Q C -1.184 174.786 176.000 -0.050 0.000 0.969 1 Q CA 0.290 56.075 55.803 -0.030 0.000 0.885 1 Q CB 1.272 30.006 28.738 -0.007 0.000 1.241 1 Q HN 0.659 nan 8.270 nan 0.000 0.461 2 T N 3.262 117.690 114.554 -0.210 0.000 2.863 2 T HA 0.562 4.912 4.350 -0.001 0.000 0.285 2 T C -1.272 173.216 174.700 -0.353 0.000 1.009 2 T CA -0.371 61.644 62.100 -0.141 0.000 0.989 2 T CB 0.505 69.330 68.868 -0.071 0.000 1.004 2 T HN 0.406 nan 8.240 nan 0.000 0.455 3 F N 1.761 121.751 119.950 0.065 0.000 2.520 3 F HA 0.453 4.978 4.527 -0.005 0.000 0.322 3 F C 0.345 176.177 175.800 0.052 0.000 1.103 3 F CA -1.102 56.952 58.000 0.090 0.000 0.926 3 F CB 1.840 40.947 39.000 0.178 0.000 1.154 3 F HN 0.187 nan 8.300 nan 0.000 0.453 4 Q N 2.496 122.425 119.800 0.214 0.000 2.278 4 Q HA 0.765 5.104 4.340 -0.001 0.000 0.257 4 Q C -0.763 175.322 176.000 0.141 0.000 0.928 4 Q CA -0.558 55.323 55.803 0.129 0.000 0.932 4 Q CB 2.012 30.797 28.738 0.079 0.000 1.221 4 Q HN 0.759 nan 8.270 nan 0.000 0.434 5 A N 2.414 125.292 122.820 0.096 0.000 2.515 5 A HA 0.472 4.792 4.320 -0.001 0.000 0.298 5 A C -0.311 177.300 177.584 0.045 0.000 1.059 5 A CA -0.649 51.432 52.037 0.074 0.000 0.698 5 A CB 1.145 20.179 19.000 0.056 0.000 1.289 5 A HN 0.607 nan 8.150 nan 0.000 0.404 6 D N -0.047 120.374 120.400 0.035 0.000 2.103 6 D HA 0.130 4.770 4.640 -0.001 0.000 0.199 6 D C 0.710 177.022 176.300 0.019 0.000 0.978 6 D CA 2.001 56.016 54.000 0.025 0.000 0.829 6 D CB -0.013 40.797 40.800 0.016 0.000 0.981 6 D HN 0.594 nan 8.370 nan 0.000 0.464 7 L N -3.089 118.136 121.223 0.003 0.000 2.393 7 L HA 0.868 5.207 4.340 -0.001 0.000 0.260 7 L C -1.556 175.299 176.870 -0.025 0.000 1.002 7 L CA -1.503 53.331 54.840 -0.010 0.000 0.818 7 L CB 2.395 44.432 42.059 -0.038 0.000 1.369 7 L HN -0.220 nan 8.230 nan 0.000 0.412 8 A N 3.226 126.024 122.820 -0.036 0.000 2.331 8 A HA 0.853 5.173 4.320 -0.001 0.000 0.320 8 A C -0.781 176.762 177.584 -0.067 0.000 1.138 8 A CA -0.528 51.468 52.037 -0.070 0.000 0.790 8 A CB 1.108 20.049 19.000 -0.098 0.000 1.206 8 A HN 0.713 nan 8.150 nan 0.000 0.470 9 I N 2.716 123.243 120.570 -0.073 0.000 2.406 9 I HA 0.301 4.470 4.170 -0.001 0.000 0.290 9 I C -0.726 175.347 176.117 -0.074 0.000 0.999 9 I CA -0.847 60.414 61.300 -0.064 0.000 1.124 9 I CB 2.075 40.043 38.000 -0.053 0.000 1.289 9 I HN 0.308 nan 8.210 nan 0.000 0.441 10 V N 5.562 125.431 119.914 -0.076 0.000 2.288 10 V HA 0.740 4.860 4.120 -0.001 0.000 0.266 10 V C 0.451 176.496 176.094 -0.082 0.000 1.048 10 V CA -0.362 61.883 62.300 -0.093 0.000 0.842 10 V CB 0.222 31.979 31.823 -0.109 0.000 1.064 10 V HN 1.060 nan 8.190 nan 0.000 0.472 11 G N 3.734 112.493 108.800 -0.069 0.000 2.957 11 G HA2 0.380 4.340 3.960 -0.001 0.000 0.636 11 G HA3 0.380 4.340 3.960 -0.001 0.000 0.636 11 G C -0.308 174.575 174.900 -0.029 0.000 1.401 11 G CA -0.261 44.806 45.100 -0.056 0.000 0.941 11 G HN 1.168 nan 8.290 nan 0.000 0.610 12 A N 1.253 124.061 122.820 -0.020 0.000 2.713 12 A HA 0.783 5.103 4.320 -0.001 0.000 0.296 12 A C 1.318 178.898 177.584 -0.006 0.000 1.255 12 A CA 1.087 53.124 52.037 -0.000 0.000 0.955 12 A CB -0.161 18.845 19.000 0.011 0.000 1.149 12 A HN 2.002 nan 8.150 nan 0.000 0.538 13 G N -0.966 107.832 108.800 -0.003 0.000 2.509 13 G HA2 0.416 4.375 3.960 -0.001 0.000 0.269 13 G HA3 0.416 4.375 3.960 -0.001 0.000 0.269 13 G C 1.171 176.085 174.900 0.023 0.000 1.416 13 G CA 0.123 45.226 45.100 0.006 0.000 1.052 13 G HN 0.508 nan 8.290 nan 0.000 0.542 14 G N 0.077 108.902 108.800 0.041 0.000 2.553 14 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.218 14 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.218 14 G C 2.024 176.968 174.900 0.074 0.000 1.195 14 G CA 2.352 47.492 45.100 0.065 0.000 0.779 14 G HN 0.993 nan 8.290 nan 0.000 0.577 15 A N 0.759 123.625 122.820 0.076 0.000 1.858 15 A HA 0.136 4.455 4.320 -0.001 0.000 0.216 15 A C 2.806 180.414 177.584 0.040 0.000 1.190 15 A CA 2.383 54.465 52.037 0.075 0.000 0.617 15 A CB -1.332 17.713 19.000 0.075 0.000 0.827 15 A HN 0.735 nan 8.150 nan 0.000 0.443 16 G N -0.342 108.470 108.800 0.020 0.000 2.440 16 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.218 16 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.218 16 G C 1.599 176.496 174.900 -0.005 0.000 1.154 16 G CA 1.169 46.268 45.100 -0.001 0.000 0.767 16 G HN 0.422 nan 8.290 nan 0.000 0.552 17 L N -0.402 120.827 121.223 0.009 0.000 2.005 17 L HA -0.010 4.330 4.340 -0.001 0.000 0.207 17 L C 2.904 179.757 176.870 -0.028 0.000 1.072 17 L CA 1.297 56.134 54.840 -0.004 0.000 0.744 17 L CB -0.337 41.734 42.059 0.020 0.000 0.895 17 L HN 0.145 nan 8.230 nan 0.000 0.433 18 R N 0.583 121.094 120.500 0.018 0.000 2.139 18 R HA -0.187 4.153 4.340 -0.001 0.000 0.243 18 R C 2.027 178.330 176.300 0.006 0.000 1.145 18 R CA 1.709 57.838 56.100 0.049 0.000 0.976 18 R CB -0.586 29.783 30.300 0.115 0.000 0.866 18 R HN 0.394 nan 8.270 nan 0.000 0.449 19 A N -0.095 122.717 122.820 -0.014 0.000 1.872 19 A HA 0.069 4.388 4.320 -0.001 0.000 0.214 19 A C 2.384 179.913 177.584 -0.091 0.000 1.187 19 A CA 1.485 53.492 52.037 -0.049 0.000 0.614 19 A CB -1.091 17.880 19.000 -0.048 0.000 0.826 19 A HN 0.452 nan 8.150 nan 0.000 0.442 20 A N 0.127 122.892 122.820 -0.092 0.000 1.883 20 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 20 A C 2.139 179.594 177.584 -0.216 0.000 1.186 20 A CA 1.681 53.644 52.037 -0.123 0.000 0.624 20 A CB -0.696 18.249 19.000 -0.090 0.000 0.822 20 A HN 0.503 nan 8.150 nan 0.000 0.444 21 I N -0.292 120.117 120.570 -0.269 0.000 2.142 21 I HA -0.294 3.875 4.170 -0.001 0.000 0.240 21 I C 3.009 178.918 176.117 -0.347 0.000 1.078 21 I CA 1.151 62.163 61.300 -0.480 0.000 1.343 21 I CB -0.464 37.270 38.000 -0.444 0.000 1.046 21 I HN 0.356 nan 8.210 nan 0.000 0.405 22 A N 0.740 123.471 122.820 -0.148 0.000 1.948 22 A HA -0.243 4.077 4.320 -0.001 0.000 0.220 22 A C 2.482 179.993 177.584 -0.122 0.000 1.177 22 A CA 2.157 54.144 52.037 -0.085 0.000 0.636 22 A CB -0.857 18.121 19.000 -0.037 0.000 0.815 22 A HN 0.488 nan 8.150 nan 0.000 0.449 23 A N -0.651 122.081 122.820 -0.147 0.000 1.968 23 A HA 0.295 4.614 4.320 -0.001 0.000 0.217 23 A C 2.391 179.894 177.584 -0.136 0.000 1.169 23 A CA 1.682 53.641 52.037 -0.130 0.000 0.638 23 A CB -0.717 18.208 19.000 -0.124 0.000 0.812 23 A HN 1.022 nan 8.150 nan 0.000 0.446 24 A N -0.896 121.791 122.820 -0.221 0.000 2.016 24 A HA -0.067 4.253 4.320 -0.001 0.000 0.217 24 A C 2.029 179.515 177.584 -0.163 0.000 1.162 24 A CA 1.276 53.180 52.037 -0.222 0.000 0.662 24 A CB -0.306 18.452 19.000 -0.404 0.000 0.812 24 A HN 0.615 nan 8.150 nan 0.000 0.450 25 Q N -0.945 118.738 119.800 -0.195 0.000 2.354 25 Q HA 0.143 4.482 4.340 -0.001 0.000 0.203 25 Q C 2.246 178.240 176.000 -0.009 0.000 0.933 25 Q CA 0.730 56.506 55.803 -0.046 0.000 0.901 25 Q CB -0.116 28.617 28.738 -0.009 0.000 1.007 25 Q HN 0.659 nan 8.270 nan 0.000 0.495 26 A N 1.546 124.343 122.820 -0.039 0.000 1.897 26 A HA -0.079 4.241 4.320 -0.001 0.000 0.215 26 A C 1.074 178.651 177.584 -0.011 0.000 1.181 26 A CA 1.035 53.059 52.037 -0.022 0.000 0.620 26 A CB 0.077 19.053 19.000 -0.039 0.000 0.821 26 A HN 0.244 nan 8.150 nan 0.000 0.443 27 N N -1.085 117.604 118.700 -0.018 0.000 2.716 27 N HA 0.340 5.079 4.740 -0.001 0.000 0.253 27 N C -2.705 172.809 175.510 0.006 0.000 1.170 27 N CA -2.064 50.984 53.050 -0.004 0.000 0.807 27 N CB 1.272 39.754 38.487 -0.008 0.000 1.183 27 N HN -0.184 nan 8.380 nan 0.000 0.524 28 P HA -0.062 nan 4.420 nan 0.000 0.222 28 P C 0.304 177.627 177.300 0.038 0.000 1.142 28 P CA 1.043 64.171 63.100 0.046 0.000 0.788 28 P CB 0.313 32.045 31.700 0.052 0.000 0.767 29 N N -1.571 117.145 118.700 0.026 0.000 2.254 29 N HA 0.115 4.854 4.740 -0.001 0.000 0.190 29 N C 0.714 176.238 175.510 0.022 0.000 1.107 29 N CA 0.033 53.098 53.050 0.025 0.000 0.869 29 N CB 0.032 38.532 38.487 0.021 0.000 0.983 29 N HN 0.053 nan 8.380 nan 0.000 0.487 30 A N 1.092 123.922 122.820 0.016 0.000 2.429 30 A HA 0.147 4.467 4.320 -0.001 0.000 0.242 30 A C 0.632 178.229 177.584 0.022 0.000 1.088 30 A CA 0.222 52.267 52.037 0.013 0.000 0.784 30 A CB 0.479 19.478 19.000 -0.003 0.000 1.038 30 A HN -0.066 nan 8.150 nan 0.000 0.501 31 K N 1.799 122.216 120.400 0.028 0.000 2.521 31 K HA 0.450 4.770 4.320 -0.001 0.000 0.248 31 K C -1.531 175.093 176.600 0.040 0.000 0.978 31 K CA -0.063 56.250 56.287 0.044 0.000 0.947 31 K CB 0.353 32.890 32.500 0.062 0.000 1.165 31 K HN 0.616 nan 8.250 nan 0.000 0.445 32 I N 2.771 123.358 120.570 0.029 0.000 2.331 32 I HA 0.276 4.445 4.170 -0.001 0.000 0.292 32 I C 0.273 176.419 176.117 0.049 0.000 0.998 32 I CA -0.745 60.564 61.300 0.016 0.000 1.267 32 I CB 1.783 39.772 38.000 -0.018 0.000 1.386 32 I HN 0.494 nan 8.210 nan 0.000 0.476 33 A N 7.448 130.292 122.820 0.040 0.000 2.260 33 A HA 0.568 4.888 4.320 -0.001 0.000 0.312 33 A C -0.767 176.827 177.584 0.017 0.000 1.321 33 A CA -0.418 51.666 52.037 0.079 0.000 0.928 33 A CB 0.426 19.377 19.000 -0.081 0.000 1.158 33 A HN 0.604 nan 8.150 nan 0.000 0.542 34 L N 4.562 125.838 121.223 0.088 0.000 2.264 34 L HA 0.666 5.005 4.340 -0.001 0.000 0.289 34 L C -0.694 176.213 176.870 0.062 0.000 1.044 34 L CA -0.068 54.797 54.840 0.040 0.000 0.807 34 L CB 0.500 42.587 42.059 0.047 0.000 1.192 34 L HN 0.583 nan 8.230 nan 0.000 0.425 35 I N 4.322 124.878 120.570 -0.024 0.000 2.530 35 I HA 0.713 4.882 4.170 -0.001 0.000 0.297 35 I C -0.377 175.724 176.117 -0.028 0.000 1.011 35 I CA -0.345 60.936 61.300 -0.032 0.000 1.107 35 I CB 2.027 39.946 38.000 -0.135 0.000 1.285 35 I HN 0.713 nan 8.210 nan 0.000 0.436 36 S N 2.876 118.574 115.700 -0.004 0.000 2.537 36 S HA 0.320 4.790 4.470 -0.001 0.000 0.271 36 S C -0.167 174.417 174.600 -0.026 0.000 1.148 36 S CA -1.089 57.090 58.200 -0.036 0.000 0.868 36 S CB 1.740 64.921 63.200 -0.033 0.000 1.115 36 S HN 0.801 nan 8.310 nan 0.000 0.461 37 K N 0.218 120.582 120.400 -0.060 0.000 2.487 37 K HA 0.293 4.613 4.320 -0.001 0.000 0.192 37 K C 0.518 177.113 176.600 -0.008 0.000 1.027 37 K CA 0.393 56.666 56.287 -0.022 0.000 1.054 37 K CB -0.463 32.008 32.500 -0.049 0.000 0.824 37 K HN 0.778 nan 8.250 nan 0.000 0.510 38 V N -2.888 117.002 119.914 -0.041 0.000 3.114 38 V HA 0.395 4.515 4.120 -0.001 0.000 0.308 38 V C -0.882 175.149 176.094 -0.106 0.000 1.168 38 V CA -1.612 60.660 62.300 -0.046 0.000 1.015 38 V CB 0.698 32.542 31.823 0.034 0.000 1.050 38 V HN 0.016 nan 8.190 nan 0.000 0.433 39 Y N 2.607 122.902 120.300 -0.008 0.000 2.712 39 Y HA 0.224 4.774 4.550 0.000 0.000 0.333 39 Y C -1.229 174.545 175.900 -0.210 0.000 1.225 39 Y CA -0.394 57.645 58.100 -0.102 0.000 1.499 39 Y CB 0.122 38.507 38.460 -0.125 0.000 1.288 39 Y HN 0.525 nan 8.280 nan 0.000 0.575 40 P HA -0.371 nan 4.420 nan 0.000 0.222 40 P C 1.709 178.800 177.300 -0.348 0.000 1.159 40 P CA 2.605 65.551 63.100 -0.257 0.000 0.920 40 P CB -0.059 31.453 31.700 -0.314 0.000 0.793 41 M N -2.354 116.891 119.600 -0.591 0.000 2.539 41 M HA -0.030 4.449 4.480 -0.001 0.000 0.261 41 M C 1.056 177.229 176.300 -0.211 0.000 1.069 41 M CA 1.798 56.778 55.300 -0.533 0.000 1.081 41 M CB -1.245 30.907 32.600 -0.747 0.000 1.412 41 M HN -0.202 nan 8.290 nan 0.000 0.482 42 R N 1.242 121.686 120.500 -0.092 0.000 2.310 42 R HA 0.309 4.649 4.340 -0.001 0.000 0.202 42 R C 0.219 176.538 176.300 0.032 0.000 0.933 42 R CA 0.016 56.126 56.100 0.018 0.000 1.054 42 R CB -0.363 29.980 30.300 0.071 0.000 0.985 42 R HN 0.401 nan 8.270 nan 0.000 0.489 43 S N 0.056 115.749 115.700 -0.010 0.000 2.573 43 S HA -0.066 4.404 4.470 -0.001 0.000 0.277 43 S C 0.934 175.580 174.600 0.077 0.000 1.346 43 S CA -0.311 57.904 58.200 0.026 0.000 1.034 43 S CB 0.657 63.852 63.200 -0.008 0.000 0.879 43 S HN 0.365 nan 8.310 nan 0.000 0.528 44 H N 2.450 121.528 119.070 0.014 0.000 2.390 44 H HA -0.111 4.445 4.556 -0.001 0.000 0.298 44 H C 1.948 177.311 175.328 0.059 0.000 1.106 44 H CA 2.442 58.511 56.048 0.036 0.000 1.297 44 H CB -0.773 29.003 29.762 0.022 0.000 1.375 44 H HN 0.667 nan 8.280 nan 0.000 0.509 45 T N -0.394 114.132 114.554 -0.046 0.000 2.751 45 T HA -0.231 4.118 4.350 -0.001 0.000 0.268 45 T C 2.199 176.856 174.700 -0.071 0.000 1.045 45 T CA 1.360 63.423 62.100 -0.061 0.000 1.142 45 T CB -0.847 68.026 68.868 0.008 0.000 0.851 45 T HN 0.252 nan 8.240 nan 0.000 0.474 46 V N 1.210 121.099 119.914 -0.041 0.000 2.568 46 V HA -0.124 3.995 4.120 -0.001 0.000 0.253 46 V C 2.327 178.463 176.094 0.070 0.000 1.072 46 V CA 1.817 64.151 62.300 0.057 0.000 1.084 46 V CB -0.756 31.135 31.823 0.113 0.000 0.676 46 V HN 0.572 nan 8.190 nan 0.000 0.469 47 A N -0.505 122.268 122.820 -0.078 0.000 2.259 47 A HA 0.600 4.919 4.320 -0.001 0.000 0.208 47 A C 1.120 178.705 177.584 0.003 0.000 1.201 47 A CA 0.578 52.599 52.037 -0.027 0.000 0.824 47 A CB -0.592 18.364 19.000 -0.074 0.000 0.838 47 A HN 0.729 nan 8.150 nan 0.000 0.485 48 A N 0.063 122.884 122.820 0.000 0.000 2.450 48 A HA 0.483 4.802 4.320 -0.001 0.000 0.255 48 A C 0.600 178.255 177.584 0.118 0.000 1.096 48 A CA -0.039 52.035 52.037 0.062 0.000 0.778 48 A CB 0.152 19.188 19.000 0.059 0.000 1.031 48 A HN 0.533 nan 8.150 nan 0.000 0.494 49 E N 2.070 122.347 120.200 0.128 0.000 2.453 49 E HA 0.079 4.428 4.350 -0.001 0.000 0.211 49 E C 1.822 178.499 176.600 0.130 0.000 0.897 49 E CA 0.573 57.069 56.400 0.161 0.000 1.063 49 E CB 0.412 30.226 29.700 0.190 0.000 1.080 49 E HN 0.771 nan 8.360 nan 0.000 0.512 50 G N 1.343 110.165 108.800 0.036 0.000 2.424 50 G HA2 0.278 4.238 3.960 -0.001 0.000 0.214 50 G HA3 0.278 4.238 3.960 -0.001 0.000 0.214 50 G C 0.714 175.284 174.900 -0.551 0.000 1.202 50 G CA 0.729 45.651 45.100 -0.298 0.000 0.793 50 G HN 0.417 nan 8.290 nan 0.000 0.534 51 G N -2.000 106.612 108.800 -0.314 0.000 2.336 51 G HA2 0.407 4.367 3.960 -0.001 0.000 0.300 51 G HA3 0.407 4.367 3.960 -0.001 0.000 0.300 51 G C -1.346 173.577 174.900 0.039 0.000 1.375 51 G CA 0.353 45.422 45.100 -0.053 0.000 0.885 51 G HN 0.775 nan 8.290 nan 0.000 0.599 52 S N -0.671 115.150 115.700 0.201 0.000 2.552 52 S HA 0.743 5.212 4.470 -0.001 0.000 0.314 52 S C 0.455 175.079 174.600 0.041 0.000 1.099 52 S CA 0.526 58.818 58.200 0.153 0.000 1.070 52 S CB 0.765 64.118 63.200 0.255 0.000 0.998 52 S HN 2.012 nan 8.310 nan 0.000 0.474 53 A N 3.575 126.432 122.820 0.061 0.000 2.462 53 A HA 0.734 5.053 4.320 -0.001 0.000 0.243 53 A C 0.339 177.816 177.584 -0.178 0.000 1.076 53 A CA 0.116 52.155 52.037 0.003 0.000 0.773 53 A CB -0.018 19.051 19.000 0.114 0.000 1.010 53 A HN 1.700 nan 8.150 nan 0.000 0.493 54 A N 2.189 124.868 122.820 -0.235 0.000 2.534 54 A HA 0.504 4.823 4.320 -0.001 0.000 0.300 54 A C -0.637 176.937 177.584 -0.017 0.000 1.054 54 A CA -0.565 51.291 52.037 -0.301 0.000 0.858 54 A CB 0.145 18.622 19.000 -0.871 0.000 1.333 54 A HN 1.475 nan 8.150 nan 0.000 0.391 55 V N 1.383 121.277 119.914 -0.033 0.000 2.557 55 V HA 0.383 4.502 4.120 -0.001 0.000 0.301 55 V C 1.200 177.315 176.094 0.034 0.000 1.026 55 V CA 1.375 63.648 62.300 -0.046 0.000 1.137 55 V CB 0.496 32.227 31.823 -0.153 0.000 0.917 55 V HN 1.704 nan 8.190 nan 0.000 0.484 56 A N 3.147 125.968 122.820 0.001 0.000 1.827 56 A HA 0.197 4.516 4.320 -0.001 0.000 0.196 56 A C 0.760 178.285 177.584 -0.099 0.000 1.833 56 A CA -0.261 51.770 52.037 -0.010 0.000 1.363 56 A CB 0.074 19.090 19.000 0.026 0.000 1.439 56 A HN 0.670 nan 8.150 nan 0.000 0.391 57 Q N 1.264 120.985 119.800 -0.132 0.000 2.395 57 Q HA 0.069 4.408 4.340 -0.001 0.000 0.271 57 Q C -0.289 175.634 176.000 -0.129 0.000 1.026 57 Q CA 0.053 55.776 55.803 -0.134 0.000 0.900 57 Q CB 0.618 29.216 28.738 -0.233 0.000 1.266 57 Q HN 0.344 nan 8.270 nan 0.000 0.430 58 D N 0.983 121.376 120.400 -0.012 0.000 2.182 58 D HA -0.163 4.476 4.640 -0.001 0.000 0.201 58 D C 1.330 177.658 176.300 0.047 0.000 0.986 58 D CA 1.593 55.599 54.000 0.011 0.000 0.847 58 D CB -0.096 40.732 40.800 0.047 0.000 0.942 58 D HN 0.671 nan 8.370 nan 0.000 0.467 59 H N -1.533 117.535 119.070 -0.002 0.000 2.592 59 H HA 0.322 4.878 4.556 -0.001 0.000 0.291 59 H C -0.000 175.396 175.328 0.113 0.000 1.052 59 H CA -0.491 55.581 56.048 0.040 0.000 1.175 59 H CB 0.142 29.921 29.762 0.028 0.000 1.378 59 H HN -0.183 nan 8.280 nan 0.000 0.576 60 D N 0.302 120.613 120.400 -0.148 0.000 2.494 60 D HA 0.473 5.112 4.640 -0.001 0.000 0.259 60 D C -0.592 175.634 176.300 -0.125 0.000 1.109 60 D CA -0.699 53.271 54.000 -0.049 0.000 1.040 60 D CB 2.107 42.787 40.800 -0.200 0.000 1.175 60 D HN 0.256 nan 8.370 nan 0.000 0.584 61 S N -0.242 115.337 115.700 -0.200 0.000 2.542 61 S HA 0.222 4.691 4.470 -0.001 0.000 0.276 61 S C 0.370 174.749 174.600 -0.369 0.000 1.148 61 S CA -0.658 57.237 58.200 -0.507 0.000 0.886 61 S CB 0.071 62.769 63.200 -0.837 0.000 1.109 61 S HN 0.360 nan 8.310 nan 0.000 0.458 62 F N 1.639 121.474 119.950 -0.192 0.000 2.192 62 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 62 F C 2.479 178.252 175.800 -0.045 0.000 1.079 62 F CA 1.613 59.499 58.000 -0.189 0.000 1.303 62 F CB -0.057 38.621 39.000 -0.538 0.000 1.024 62 F HN 0.762 nan 8.300 nan 0.000 0.494 63 E N 0.340 120.554 120.200 0.023 0.000 2.038 63 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 63 E C 1.979 178.748 176.600 0.281 0.000 1.000 63 E CA 1.802 58.249 56.400 0.078 0.000 0.803 63 E CB -0.704 28.921 29.700 -0.125 0.000 0.750 63 E HN 0.401 nan 8.360 nan 0.000 0.448 64 Y N 0.208 120.613 120.300 0.175 0.000 2.151 64 Y HA -0.211 4.339 4.550 -0.001 0.000 0.284 64 Y C 2.655 178.718 175.900 0.271 0.000 1.166 64 Y CA 1.688 59.892 58.100 0.174 0.000 1.163 64 Y CB -1.330 37.173 38.460 0.072 0.000 0.974 64 Y HN 0.436 nan 8.280 nan 0.000 0.511 65 H N -1.511 117.743 119.070 0.306 0.000 2.395 65 H HA -0.169 4.386 4.556 -0.001 0.000 0.299 65 H C 2.193 177.678 175.328 0.262 0.000 1.070 65 H CA 0.966 57.160 56.048 0.243 0.000 1.356 65 H CB -0.271 29.608 29.762 0.195 0.000 1.401 65 H HN 0.300 nan 8.280 nan 0.000 0.524 66 F N 0.933 120.989 119.950 0.176 0.000 2.051 66 F HA -0.243 4.283 4.527 -0.001 0.000 0.296 66 F C 2.651 178.502 175.800 0.085 0.000 1.122 66 F CA 2.211 60.260 58.000 0.081 0.000 1.201 66 F CB -0.805 38.259 39.000 0.107 0.000 0.978 66 F HN 0.199 nan 8.300 nan 0.000 0.472 67 H N 0.262 119.451 119.070 0.199 0.000 2.265 67 H HA -0.209 4.347 4.556 -0.001 0.000 0.295 67 H C 2.062 177.327 175.328 -0.105 0.000 1.084 67 H CA 2.589 58.668 56.048 0.053 0.000 1.261 67 H CB -0.710 29.194 29.762 0.236 0.000 1.360 67 H HN 0.265 nan 8.280 nan 0.000 0.487 68 D N -0.776 119.712 120.400 0.146 0.000 2.126 68 D HA -0.184 4.456 4.640 -0.001 0.000 0.190 68 D C 2.217 178.463 176.300 -0.091 0.000 1.001 68 D CA 2.095 56.138 54.000 0.071 0.000 0.841 68 D CB -0.849 40.073 40.800 0.204 0.000 0.949 68 D HN 0.445 nan 8.370 nan 0.000 0.446 69 T N 0.277 114.765 114.554 -0.110 0.000 2.684 69 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 69 T C 2.208 176.667 174.700 -0.402 0.000 1.036 69 T CA 1.027 63.002 62.100 -0.208 0.000 1.148 69 T CB -0.406 68.325 68.868 -0.229 0.000 0.863 69 T HN -0.031 nan 8.240 nan 0.000 0.436 70 V N 1.428 120.958 119.914 -0.640 0.000 2.358 70 V HA -0.141 3.979 4.120 -0.001 0.000 0.246 70 V C 2.811 178.278 176.094 -1.046 0.000 1.047 70 V CA 1.701 63.489 62.300 -0.853 0.000 1.035 70 V CB -1.080 30.107 31.823 -1.060 0.000 0.658 70 V HN 0.529 nan 8.190 nan 0.000 0.452 71 A N 0.385 122.607 122.820 -0.998 0.000 1.898 71 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 71 A C 2.406 179.729 177.584 -0.435 0.000 1.181 71 A CA 1.712 53.182 52.037 -0.944 0.000 0.620 71 A CB -1.155 17.520 19.000 -0.542 0.000 0.819 71 A HN 0.523 nan 8.150 nan 0.000 0.442 72 G N -0.564 108.056 108.800 -0.301 0.000 2.448 72 G HA2 0.070 4.029 3.960 -0.001 0.000 0.219 72 G HA3 0.070 4.029 3.960 -0.001 0.000 0.219 72 G C 1.233 176.040 174.900 -0.154 0.000 1.127 72 G CA 1.049 46.059 45.100 -0.151 0.000 0.766 72 G HN 0.781 nan 8.290 nan 0.000 0.552 73 G N -0.435 108.218 108.800 -0.244 0.000 3.262 73 G HA2 0.274 4.234 3.960 -0.001 0.000 0.228 73 G HA3 0.274 4.234 3.960 -0.001 0.000 0.228 73 G C 0.313 175.101 174.900 -0.187 0.000 1.197 73 G CA 0.389 45.362 45.100 -0.212 0.000 0.819 73 G HN 0.202 nan 8.290 nan 0.000 0.531 74 D N -0.616 119.716 120.400 -0.112 0.000 2.737 74 D HA -0.184 4.455 4.640 -0.001 0.000 0.233 74 D C 0.687 177.161 176.300 0.289 0.000 1.155 74 D CA 0.868 54.952 54.000 0.140 0.000 0.667 74 D CB -1.060 39.797 40.800 0.095 0.000 1.060 74 D HN 0.608 nan 8.370 nan 0.000 0.427 75 W N -2.123 119.114 121.300 -0.105 0.000 3.207 75 W HA -0.317 4.342 4.660 -0.001 0.000 0.291 75 W C 0.990 177.451 176.519 -0.096 0.000 1.105 75 W CA 0.175 57.465 57.345 -0.092 0.000 0.612 75 W CB -1.796 27.630 29.460 -0.058 0.000 2.140 75 W HN 0.293 nan 8.180 nan 0.000 1.420 76 L N 0.180 121.392 121.223 -0.018 0.000 2.653 76 L HA 0.085 4.424 4.340 -0.001 0.000 0.232 76 L C 0.961 177.822 176.870 -0.014 0.000 1.169 76 L CA 0.377 55.181 54.840 -0.060 0.000 0.951 76 L CB -0.300 41.685 42.059 -0.123 0.000 1.181 76 L HN -0.107 nan 8.230 nan 0.000 0.460 77 C N 0.191 119.448 119.300 -0.072 0.000 2.401 77 C HA 0.233 4.693 4.460 -0.001 0.000 0.365 77 C C 0.864 175.858 174.990 0.006 0.000 1.250 77 C CA -1.075 57.901 59.018 -0.070 0.000 2.131 77 C CB 1.015 28.627 27.740 -0.214 0.000 2.445 77 C HN 0.243 nan 8.230 nan 0.000 0.550 78 E N 2.020 122.248 120.200 0.046 0.000 1.865 78 E HA 0.022 4.372 4.350 -0.001 0.000 0.269 78 E C 1.008 177.657 176.600 0.082 0.000 1.177 78 E CA 0.311 56.764 56.400 0.088 0.000 0.932 78 E CB 0.361 30.102 29.700 0.069 0.000 1.066 78 E HN 0.683 nan 8.360 nan 0.000 0.405 79 Q N 1.434 121.302 119.800 0.114 0.000 2.133 79 Q HA -0.231 4.109 4.340 -0.001 0.000 0.208 79 Q C 1.346 177.526 176.000 0.301 0.000 0.991 79 Q CA 1.928 57.865 55.803 0.223 0.000 0.867 79 Q CB 0.127 29.037 28.738 0.287 0.000 0.911 79 Q HN 0.525 nan 8.270 nan 0.000 0.417 80 D N -0.380 120.143 120.400 0.204 0.000 2.218 80 D HA -0.118 4.521 4.640 -0.001 0.000 0.204 80 D C 1.763 178.201 176.300 0.229 0.000 0.976 80 D CA 0.904 55.018 54.000 0.189 0.000 0.853 80 D CB -0.368 40.506 40.800 0.123 0.000 0.939 80 D HN 0.132 nan 8.370 nan 0.000 0.481 81 V N 0.802 120.839 119.914 0.205 0.000 2.346 81 V HA -0.186 3.934 4.120 -0.001 0.000 0.244 81 V C 2.939 179.252 176.094 0.364 0.000 1.037 81 V CA 1.040 63.495 62.300 0.258 0.000 1.029 81 V CB -0.328 31.572 31.823 0.129 0.000 0.663 81 V HN 0.084 nan 8.190 nan 0.000 0.454 82 V N 0.679 120.746 119.914 0.255 0.000 2.324 82 V HA -0.376 3.744 4.120 -0.001 0.000 0.250 82 V C 2.274 178.652 176.094 0.474 0.000 1.060 82 V CA 2.621 65.085 62.300 0.273 0.000 1.042 82 V CB -0.796 31.050 31.823 0.039 0.000 0.650 82 V HN 0.664 nan 8.190 nan 0.000 0.450 83 D N -1.062 119.660 120.400 0.537 0.000 2.087 83 D HA -0.286 4.354 4.640 -0.001 0.000 0.192 83 D C 2.049 178.584 176.300 0.390 0.000 0.993 83 D CA 1.848 56.114 54.000 0.444 0.000 0.828 83 D CB -0.306 40.652 40.800 0.263 0.000 0.968 83 D HN 0.534 nan 8.370 nan 0.000 0.448 84 Y N -0.315 120.138 120.300 0.256 0.000 2.193 84 Y HA -0.282 4.268 4.550 0.000 0.000 0.285 84 Y C 1.908 177.945 175.900 0.228 0.000 1.166 84 Y CA 1.936 60.159 58.100 0.206 0.000 1.181 84 Y CB -0.585 37.934 38.460 0.097 0.000 0.976 84 Y HN 0.148 nan 8.280 nan 0.000 0.520 85 F N 0.395 120.452 119.950 0.177 0.000 2.051 85 F HA -0.200 4.326 4.527 -0.001 0.000 0.296 85 F C 2.438 178.221 175.800 -0.028 0.000 1.122 85 F CA 2.394 60.436 58.000 0.069 0.000 1.201 85 F CB -1.167 37.997 39.000 0.274 0.000 0.978 85 F HN -0.049 nan 8.300 nan 0.000 0.472 86 V N -1.274 118.508 119.914 -0.220 0.000 2.332 86 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 86 V C 2.424 178.205 176.094 -0.521 0.000 1.055 86 V CA 2.368 64.458 62.300 -0.350 0.000 1.038 86 V CB -1.456 30.323 31.823 -0.074 0.000 0.651 86 V HN 0.469 nan 8.190 nan 0.000 0.450 87 H N -0.058 118.659 119.070 -0.589 0.000 2.491 87 H HA -0.057 4.498 4.556 -0.001 0.000 0.290 87 H C 2.017 176.818 175.328 -0.877 0.000 1.050 87 H CA 2.156 57.576 56.048 -1.046 0.000 1.309 87 H CB -0.021 29.249 29.762 -0.820 0.000 1.392 87 H HN 0.656 nan 8.280 nan 0.000 0.554 88 H N -1.907 116.816 119.070 -0.578 0.000 2.622 88 H HA 0.069 4.625 4.556 -0.000 0.000 0.269 88 H C 2.249 177.329 175.328 -0.414 0.000 0.977 88 H CA 0.036 55.777 56.048 -0.511 0.000 1.179 88 H CB 0.248 29.614 29.762 -0.660 0.000 1.458 88 H HN 0.179 nan 8.280 nan 0.000 0.531 89 C N 1.074 120.153 119.300 -0.370 0.000 2.413 89 C HA -0.117 4.343 4.460 -0.001 0.000 0.277 89 C C -0.063 174.728 174.990 -0.332 0.000 1.228 89 C CA 1.102 59.904 59.018 -0.359 0.000 1.731 89 C CB -1.044 26.449 27.740 -0.412 0.000 2.042 89 C HN 0.468 nan 8.230 nan 0.000 0.468 90 P HA -0.127 nan 4.420 nan 0.000 0.217 90 P C 1.472 178.651 177.300 -0.201 0.000 1.151 90 P CA 2.163 65.162 63.100 -0.169 0.000 0.849 90 P CB -0.253 31.475 31.700 0.046 0.000 0.787 91 T N -0.913 113.527 114.554 -0.189 0.000 2.777 91 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 91 T C 1.589 176.172 174.700 -0.195 0.000 1.040 91 T CA 1.111 63.109 62.100 -0.169 0.000 1.141 91 T CB -0.583 68.190 68.868 -0.159 0.000 0.868 91 T HN 0.129 nan 8.240 nan 0.000 0.444 92 E N 0.781 120.858 120.200 -0.205 0.000 2.072 92 E HA 0.017 4.366 4.350 -0.001 0.000 0.191 92 E C 2.122 178.603 176.600 -0.198 0.000 0.985 92 E CA 0.882 57.180 56.400 -0.170 0.000 0.801 92 E CB -0.353 29.287 29.700 -0.101 0.000 0.750 92 E HN 0.309 nan 8.360 nan 0.000 0.452 93 M N 0.275 119.634 119.600 -0.402 0.000 2.086 93 M HA -0.088 4.391 4.480 -0.001 0.000 0.261 93 M C 2.207 178.298 176.300 -0.349 0.000 1.067 93 M CA 1.462 56.392 55.300 -0.616 0.000 1.116 93 M CB -0.904 30.605 32.600 -1.818 0.000 1.348 93 M HN -0.010 nan 8.290 nan 0.000 0.407 94 T N -0.524 113.850 114.554 -0.299 0.000 2.720 94 T HA -0.224 4.126 4.350 -0.001 0.000 0.268 94 T C 1.723 176.399 174.700 -0.040 0.000 1.037 94 T CA 1.721 63.826 62.100 0.009 0.000 1.144 94 T CB -0.230 68.647 68.868 0.016 0.000 0.864 94 T HN 0.351 nan 8.240 nan 0.000 0.444 95 Q N 0.721 120.402 119.800 -0.198 0.000 2.096 95 Q HA 0.013 4.353 4.340 -0.001 0.000 0.204 95 Q C 2.055 177.770 176.000 -0.475 0.000 0.982 95 Q CA 1.438 56.964 55.803 -0.460 0.000 0.850 95 Q CB -0.685 27.660 28.738 -0.655 0.000 0.901 95 Q HN 0.512 nan 8.270 nan 0.000 0.422 96 L N 0.336 121.513 121.223 -0.078 0.000 2.131 96 L HA -0.153 4.187 4.340 -0.001 0.000 0.210 96 L C 2.561 179.624 176.870 0.322 0.000 1.092 96 L CA 1.304 56.303 54.840 0.265 0.000 0.759 96 L CB -0.397 41.914 42.059 0.420 0.000 0.903 96 L HN 0.351 nan 8.230 nan 0.000 0.435 97 E N 0.512 120.946 120.200 0.390 0.000 2.047 97 E HA -0.185 4.165 4.350 -0.001 0.000 0.191 97 E C 2.280 178.995 176.600 0.192 0.000 0.987 97 E CA 1.150 57.797 56.400 0.411 0.000 0.799 97 E CB -0.043 29.926 29.700 0.448 0.000 0.752 97 E HN 0.484 nan 8.360 nan 0.000 0.449 98 L N -0.453 120.807 121.223 0.061 0.000 2.127 98 L HA -0.170 4.169 4.340 -0.001 0.000 0.211 98 L C 2.280 179.220 176.870 0.117 0.000 1.089 98 L CA 0.817 55.662 54.840 0.009 0.000 0.757 98 L CB -0.505 41.472 42.059 -0.137 0.000 0.899 98 L HN 0.250 nan 8.230 nan 0.000 0.434 99 W N 0.132 121.481 121.300 0.081 0.000 3.077 99 W HA 0.145 4.804 4.660 -0.001 0.000 0.245 99 W C 1.598 178.131 176.519 0.024 0.000 1.316 99 W CA 1.060 58.436 57.345 0.052 0.000 1.537 99 W CB -0.722 28.774 29.460 0.061 0.000 1.131 99 W HN 0.400 nan 8.180 nan 0.000 0.695 100 G N -0.693 108.238 108.800 0.219 0.000 2.184 100 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.206 100 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.206 100 G C 0.222 175.135 174.900 0.022 0.000 0.995 100 G CA -0.323 44.840 45.100 0.106 0.000 0.651 100 G HN 0.165 nan 8.290 nan 0.000 0.511 101 C N 4.091 123.389 119.300 -0.005 0.000 2.648 101 C HA 0.480 4.939 4.460 -0.001 0.000 0.406 101 C C -0.890 173.881 174.990 -0.365 0.000 1.406 101 C CA -0.828 58.029 59.018 -0.269 0.000 1.610 101 C CB 0.110 27.580 27.740 -0.450 0.000 2.451 101 C HN 0.381 nan 8.230 nan 0.000 0.608 102 P HA 0.090 nan 4.420 nan 0.000 0.237 102 P C -0.720 176.415 177.300 -0.275 0.000 1.788 102 P CA -0.040 62.872 63.100 -0.313 0.000 1.061 102 P CB -0.445 31.027 31.700 -0.379 0.000 1.967 103 W N 1.119 122.350 121.300 -0.116 0.000 2.181 103 W HA 0.096 4.755 4.660 -0.002 0.000 0.335 103 W C 1.028 177.381 176.519 -0.276 0.000 1.310 103 W CA -0.055 57.197 57.345 -0.155 0.000 1.226 103 W CB 0.079 29.496 29.460 -0.072 0.000 1.155 103 W HN 0.160 nan 8.180 nan 0.000 0.565 104 S N 3.287 118.873 115.700 -0.191 0.000 2.559 104 S HA 0.175 4.644 4.470 -0.001 0.000 0.282 104 S C 0.380 174.807 174.600 -0.289 0.000 1.336 104 S CA -0.379 57.634 58.200 -0.313 0.000 1.037 104 S CB 0.264 63.112 63.200 -0.587 0.000 0.853 104 S HN 0.280 nan 8.310 nan 0.000 0.523 105 R N 1.378 121.780 120.500 -0.163 0.000 2.892 105 R HA 0.479 4.819 4.340 -0.001 0.000 0.265 105 R C -0.277 175.973 176.300 -0.084 0.000 1.025 105 R CA -0.885 55.136 56.100 -0.132 0.000 0.982 105 R CB 1.053 31.302 30.300 -0.085 0.000 1.185 105 R HN 0.577 nan 8.270 nan 0.000 0.484 106 R N 0.857 121.306 120.500 -0.086 0.000 2.528 106 R HA 0.197 4.536 4.340 -0.001 0.000 0.271 106 R C -1.569 174.708 176.300 -0.038 0.000 1.056 106 R CA -1.666 54.404 56.100 -0.050 0.000 1.117 106 R CB 0.345 30.607 30.300 -0.063 0.000 1.085 106 R HN 0.243 nan 8.270 nan 0.000 0.530 107 P HA -0.193 nan 4.420 nan 0.000 0.218 107 P C 0.359 177.645 177.300 -0.023 0.000 1.146 107 P CA 1.326 64.415 63.100 -0.017 0.000 0.813 107 P CB 0.108 31.802 31.700 -0.009 0.000 0.778 108 D N -2.122 118.260 120.400 -0.030 0.000 2.336 108 D HA 0.054 4.694 4.640 -0.001 0.000 0.229 108 D C 1.434 177.712 176.300 -0.038 0.000 1.061 108 D CA 0.675 54.656 54.000 -0.031 0.000 0.875 108 D CB -0.733 40.047 40.800 -0.033 0.000 0.904 108 D HN 0.232 nan 8.370 nan 0.000 0.525 109 G N 0.266 109.040 108.800 -0.044 0.000 2.213 109 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.236 109 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.236 109 G C 0.485 175.343 174.900 -0.071 0.000 0.991 109 G CA 0.370 45.442 45.100 -0.048 0.000 0.629 109 G HN 0.782 nan 8.290 nan 0.000 0.517 110 S N -0.117 115.528 115.700 -0.091 0.000 2.608 110 S HA 0.636 5.105 4.470 -0.001 0.000 0.261 110 S C 0.684 175.164 174.600 -0.200 0.000 1.314 110 S CA -0.040 58.076 58.200 -0.140 0.000 0.992 110 S CB 1.751 64.869 63.200 -0.137 0.000 0.935 110 S HN 1.835 nan 8.310 nan 0.000 0.564 111 V N 0.312 120.029 119.914 -0.329 0.000 2.530 111 V HA 0.465 4.585 4.120 -0.001 0.000 0.282 111 V C 0.240 176.050 176.094 -0.474 0.000 1.048 111 V CA -0.936 61.086 62.300 -0.464 0.000 0.997 111 V CB 0.359 31.689 31.823 -0.822 0.000 0.987 111 V HN 0.861 nan 8.190 nan 0.000 0.477 112 N N 3.020 121.500 118.700 -0.367 0.000 2.445 112 N HA 0.646 5.386 4.740 -0.001 0.000 0.264 112 N C -0.527 174.912 175.510 -0.118 0.000 1.227 112 N CA 0.082 53.019 53.050 -0.187 0.000 0.963 112 N CB 1.670 40.130 38.487 -0.045 0.000 1.188 112 N HN 1.089 nan 8.380 nan 0.000 0.491 113 V N -0.949 119.042 119.914 0.128 0.000 3.114 113 V HA 0.814 4.933 4.120 -0.001 0.000 0.308 113 V C -0.736 175.526 176.094 0.280 0.000 1.168 113 V CA -1.029 61.421 62.300 0.250 0.000 1.015 113 V CB 1.913 33.742 31.823 0.011 0.000 1.050 113 V HN 0.897 nan 8.190 nan 0.000 0.433 114 R N 1.304 121.929 120.500 0.209 0.000 2.817 114 R HA 0.692 5.032 4.340 -0.001 0.000 0.268 114 R C -0.777 175.638 176.300 0.193 0.000 1.027 114 R CA -1.053 55.100 56.100 0.089 0.000 0.928 114 R CB 2.193 32.403 30.300 -0.150 0.000 1.228 114 R HN 0.872 nan 8.270 nan 0.000 0.469 115 R N 1.127 121.698 120.500 0.118 0.000 2.390 115 R HA 0.402 4.742 4.340 -0.001 0.000 0.291 115 R C -1.395 174.950 176.300 0.074 0.000 1.070 115 R CA 0.022 56.188 56.100 0.109 0.000 1.014 115 R CB 0.558 30.863 30.300 0.008 0.000 1.007 115 R HN 0.540 nan 8.270 nan 0.000 0.466 116 F N 0.445 120.408 119.950 0.022 0.000 2.686 116 F HA 0.348 4.874 4.527 -0.001 0.000 0.311 116 F C 0.850 176.673 175.800 0.038 0.000 1.128 116 F CA 0.005 58.024 58.000 0.032 0.000 0.946 116 F CB 2.249 41.281 39.000 0.053 0.000 1.336 116 F HN 0.722 nan 8.300 nan 0.000 0.457 117 G N 0.614 109.538 108.800 0.206 0.000 2.180 117 G HA2 0.047 4.006 3.960 -0.001 0.000 0.263 117 G HA3 0.047 4.006 3.960 -0.001 0.000 0.263 117 G C 1.113 176.052 174.900 0.066 0.000 0.989 117 G CA 1.001 46.177 45.100 0.126 0.000 0.692 117 G HN 2.198 nan 8.290 nan 0.000 0.526 118 G N -1.338 107.480 108.800 0.030 0.000 2.155 118 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.257 118 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.257 118 G C 0.516 175.438 174.900 0.036 0.000 0.983 118 G CA 0.992 46.099 45.100 0.012 0.000 0.676 118 G HN 1.117 nan 8.290 nan 0.000 0.528 119 M N -0.297 119.342 119.600 0.065 0.000 2.249 119 M HA 0.199 4.678 4.480 -0.001 0.000 0.340 119 M C 1.688 178.016 176.300 0.045 0.000 1.166 119 M CA 0.921 56.265 55.300 0.073 0.000 1.115 119 M CB 0.737 33.394 32.600 0.095 0.000 1.606 119 M HN 0.258 nan 8.290 nan 0.000 0.448 120 K N 2.907 123.325 120.400 0.031 0.000 2.062 120 K HA 0.051 4.371 4.320 -0.001 0.000 0.205 120 K C 0.209 176.815 176.600 0.011 0.000 1.051 120 K CA 0.928 57.220 56.287 0.008 0.000 0.941 120 K CB 0.373 32.854 32.500 -0.032 0.000 0.719 120 K HN 0.541 nan 8.250 nan 0.000 0.440 121 I N 4.086 124.652 120.570 -0.005 0.000 2.304 121 I HA 0.065 4.235 4.170 -0.001 0.000 0.291 121 I C -0.136 175.983 176.117 0.004 0.000 1.018 121 I CA -0.622 60.672 61.300 -0.011 0.000 1.260 121 I CB 1.083 39.027 38.000 -0.092 0.000 1.390 121 I HN 0.329 nan 8.210 nan 0.000 0.475 122 E N 8.087 128.306 120.200 0.033 0.000 2.413 122 E HA 0.052 4.402 4.350 -0.001 0.000 0.263 122 E C 0.167 176.785 176.600 0.030 0.000 1.015 122 E CA -0.225 56.209 56.400 0.055 0.000 0.916 122 E CB 0.832 30.577 29.700 0.076 0.000 0.947 122 E HN 0.806 nan 8.360 nan 0.000 0.440 123 R N -0.042 120.499 120.500 0.068 0.000 2.471 123 R HA 0.150 4.490 4.340 -0.001 0.000 0.367 123 R C -0.760 175.661 176.300 0.202 0.000 0.799 123 R CA -0.478 55.667 56.100 0.075 0.000 1.055 123 R CB -0.266 30.006 30.300 -0.046 0.000 1.704 123 R HN 0.275 nan 8.270 nan 0.000 0.531 124 T N 1.906 116.599 114.554 0.230 0.000 2.743 124 T HA 0.267 4.617 4.350 -0.001 0.000 0.293 124 T C -0.823 174.137 174.700 0.434 0.000 0.945 124 T CA -0.170 62.092 62.100 0.270 0.000 1.030 124 T CB 0.407 69.374 68.868 0.165 0.000 0.912 124 T HN 0.114 nan 8.240 nan 0.000 0.483 125 W N 4.275 125.590 121.300 0.024 0.000 2.215 125 W HA 0.597 5.257 4.660 0.000 0.000 0.342 125 W C -0.104 176.671 176.519 0.427 0.000 1.237 125 W CA -1.198 56.114 57.345 -0.054 0.000 1.283 125 W CB 0.035 28.982 29.460 -0.855 0.000 1.131 125 W HN 0.629 nan 8.180 nan 0.000 0.606 126 F N -0.981 119.296 119.950 0.544 0.000 2.650 126 F HA 0.684 5.210 4.527 -0.001 0.000 0.310 126 F C 0.219 176.341 175.800 0.537 0.000 1.112 126 F CA -1.177 57.160 58.000 0.561 0.000 0.986 126 F CB 0.306 39.475 39.000 0.281 0.000 1.285 126 F HN 0.387 nan 8.300 nan 0.000 0.440 127 A N 2.142 125.216 122.820 0.422 0.000 1.832 127 A HA 0.652 4.971 4.320 -0.001 0.000 0.214 127 A C 1.178 178.899 177.584 0.228 0.000 1.204 127 A CA 2.047 54.184 52.037 0.166 0.000 0.606 127 A CB -0.792 18.370 19.000 0.270 0.000 0.849 127 A HN 1.949 nan 8.150 nan 0.000 0.445 128 A N -1.392 121.658 122.820 0.384 0.000 5.463 128 A HA 0.440 4.759 4.320 -0.001 0.000 0.118 128 A C -1.015 176.799 177.584 0.384 0.000 1.089 128 A CA 0.478 52.745 52.037 0.384 0.000 1.812 128 A CB -0.661 18.486 19.000 0.244 0.000 2.637 128 A HN 0.398 nan 8.150 nan 0.000 1.194 129 D N 0.053 120.615 120.400 0.271 0.000 2.587 129 D HA 0.264 4.903 4.640 -0.001 0.000 0.233 129 D C 0.037 176.463 176.300 0.210 0.000 1.213 129 D CA 0.147 54.294 54.000 0.244 0.000 0.827 129 D CB 0.193 41.129 40.800 0.226 0.000 1.006 129 D HN 0.403 nan 8.370 nan 0.000 0.490 130 K N -0.222 120.300 120.400 0.203 0.000 2.934 130 K HA 0.156 4.475 4.320 -0.001 0.000 0.210 130 K C 0.648 177.401 176.600 0.254 0.000 1.122 130 K CA -0.097 56.272 56.287 0.137 0.000 1.033 130 K CB 0.730 33.220 32.500 -0.016 0.000 0.779 130 K HN -0.060 nan 8.250 nan 0.000 0.459 131 T N -0.514 114.190 114.554 0.250 0.000 2.684 131 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 131 T C 1.883 176.679 174.700 0.160 0.000 1.036 131 T CA 1.831 64.067 62.100 0.227 0.000 1.148 131 T CB -0.128 68.902 68.868 0.269 0.000 0.863 131 T HN 0.509 nan 8.240 nan 0.000 0.436 132 G N 0.597 109.485 108.800 0.147 0.000 2.408 132 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.217 132 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.217 132 G C 1.348 176.307 174.900 0.099 0.000 1.150 132 G CA 0.477 45.638 45.100 0.102 0.000 0.776 132 G HN 0.475 nan 8.290 nan 0.000 0.542 133 F N 1.255 121.196 119.950 -0.013 0.000 2.069 133 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 133 F C 2.655 178.451 175.800 -0.007 0.000 1.113 133 F CA 1.972 59.957 58.000 -0.026 0.000 1.214 133 F CB -0.381 38.494 39.000 -0.210 0.000 0.978 133 F HN 0.170 nan 8.300 nan 0.000 0.474 134 H N -0.048 119.029 119.070 0.010 0.000 2.421 134 H HA -0.124 4.431 4.556 -0.001 0.000 0.298 134 H C 2.312 177.515 175.328 -0.209 0.000 1.087 134 H CA 2.001 57.947 56.048 -0.170 0.000 1.330 134 H CB -0.418 29.276 29.762 -0.115 0.000 1.388 134 H HN 0.391 nan 8.280 nan 0.000 0.526 135 M N -0.492 119.081 119.600 -0.045 0.000 2.098 135 M HA -0.113 4.367 4.480 -0.001 0.000 0.262 135 M C 2.442 178.737 176.300 -0.008 0.000 1.072 135 M CA 0.867 56.143 55.300 -0.039 0.000 1.133 135 M CB -0.210 32.403 32.600 0.021 0.000 1.344 135 M HN 0.122 nan 8.290 nan 0.000 0.414 136 L N -0.095 121.106 121.223 -0.037 0.000 2.042 136 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 136 L C 2.443 179.242 176.870 -0.119 0.000 1.076 136 L CA 2.007 56.801 54.840 -0.078 0.000 0.749 136 L CB -0.884 41.096 42.059 -0.132 0.000 0.893 136 L HN 0.323 nan 8.230 nan 0.000 0.432 137 H N -1.355 117.589 119.070 -0.209 0.000 2.428 137 H HA -0.071 4.485 4.556 -0.000 0.000 0.296 137 H C 2.024 177.309 175.328 -0.072 0.000 1.062 137 H CA 1.773 57.705 56.048 -0.194 0.000 1.350 137 H CB -0.041 29.392 29.762 -0.548 0.000 1.403 137 H HN 0.412 nan 8.280 nan 0.000 0.533 138 T N 1.432 116.007 114.554 0.034 0.000 2.701 138 T HA -0.071 4.279 4.350 -0.001 0.000 0.263 138 T C 2.451 177.143 174.700 -0.014 0.000 1.040 138 T CA 0.602 62.720 62.100 0.030 0.000 1.147 138 T CB -0.302 68.597 68.868 0.052 0.000 0.865 138 T HN 0.148 nan 8.240 nan 0.000 0.426 139 L N 0.087 121.311 121.223 0.001 0.000 1.971 139 L HA -0.118 4.221 4.340 -0.001 0.000 0.215 139 L C 2.325 179.141 176.870 -0.090 0.000 1.072 139 L CA 1.740 56.539 54.840 -0.069 0.000 0.758 139 L CB -0.700 41.364 42.059 0.009 0.000 0.889 139 L HN 0.213 nan 8.230 nan 0.000 0.433 140 F N 0.978 120.842 119.950 -0.144 0.000 2.043 140 F HA -0.330 4.196 4.527 -0.002 0.000 0.297 140 F C 2.682 178.414 175.800 -0.113 0.000 1.121 140 F CA 2.015 59.934 58.000 -0.135 0.000 1.199 140 F CB -0.592 38.301 39.000 -0.178 0.000 0.968 140 F HN 0.072 nan 8.300 nan 0.000 0.478 141 Q N -0.708 118.907 119.800 -0.308 0.000 2.096 141 Q HA -0.197 4.143 4.340 -0.001 0.000 0.204 141 Q C 2.150 177.942 176.000 -0.346 0.000 0.982 141 Q CA 2.369 57.948 55.803 -0.373 0.000 0.850 141 Q CB -0.573 28.095 28.738 -0.117 0.000 0.901 141 Q HN 0.412 nan 8.270 nan 0.000 0.422 142 T N 0.324 114.695 114.554 -0.306 0.000 2.803 142 T HA -0.159 4.190 4.350 -0.001 0.000 0.269 142 T C 1.942 176.478 174.700 -0.274 0.000 1.052 142 T CA 1.420 63.291 62.100 -0.382 0.000 1.136 142 T CB -0.254 68.164 68.868 -0.749 0.000 0.864 142 T HN 0.464 nan 8.240 nan 0.000 0.467 143 S N 1.238 116.786 115.700 -0.252 0.000 2.481 143 S HA 0.074 4.543 4.470 -0.001 0.000 0.231 143 S C 1.969 176.529 174.600 -0.067 0.000 0.996 143 S CA 0.414 58.573 58.200 -0.068 0.000 0.942 143 S CB -0.670 62.444 63.200 -0.144 0.000 0.768 143 S HN 0.486 nan 8.310 nan 0.000 0.520 144 L N 1.466 122.524 121.223 -0.274 0.000 2.275 144 L HA -0.103 4.236 4.340 -0.001 0.000 0.215 144 L C 2.857 179.609 176.870 -0.197 0.000 1.119 144 L CA 1.418 56.103 54.840 -0.257 0.000 0.790 144 L CB -0.654 41.205 42.059 -0.333 0.000 0.919 144 L HN 0.621 nan 8.230 nan 0.000 0.443 145 Q N -0.254 119.374 119.800 -0.286 0.000 2.472 145 Q HA -0.047 4.292 4.340 -0.001 0.000 0.208 145 Q C -0.100 175.622 176.000 -0.463 0.000 0.958 145 Q CA 0.469 56.022 55.803 -0.416 0.000 0.932 145 Q CB -0.079 28.304 28.738 -0.592 0.000 1.007 145 Q HN 0.298 nan 8.270 nan 0.000 0.508 146 F N 2.780 122.658 119.950 -0.119 0.000 2.308 146 F HA 0.339 4.866 4.527 0.000 0.000 0.370 146 F C -1.564 174.194 175.800 -0.069 0.000 1.100 146 F CA -2.827 55.123 58.000 -0.083 0.000 1.108 146 F CB 1.315 40.265 39.000 -0.084 0.000 1.293 146 F HN -0.078 nan 8.300 nan 0.000 0.478 147 P HA -0.231 nan 4.420 nan 0.000 0.220 147 P C 0.873 178.206 177.300 0.055 0.000 1.144 147 P CA 1.383 64.510 63.100 0.044 0.000 0.800 147 P CB 0.348 32.061 31.700 0.022 0.000 0.772 148 Q N -0.015 119.835 119.800 0.083 0.000 2.234 148 Q HA -0.026 4.313 4.340 -0.001 0.000 0.206 148 Q C 1.111 177.132 176.000 0.035 0.000 0.980 148 Q CA 0.766 56.600 55.803 0.052 0.000 0.869 148 Q CB -0.737 28.026 28.738 0.042 0.000 0.912 148 Q HN 0.383 nan 8.270 nan 0.000 0.436 149 I N 1.361 121.953 120.570 0.037 0.000 2.337 149 I HA 0.087 4.256 4.170 -0.001 0.000 0.291 149 I C -0.083 176.047 176.117 0.022 0.000 1.046 149 I CA -0.675 60.638 61.300 0.021 0.000 1.324 149 I CB 0.833 38.836 38.000 0.006 0.000 1.409 149 I HN -0.021 nan 8.210 nan 0.000 0.494 150 Q N 7.376 127.197 119.800 0.034 0.000 2.372 150 Q HA 0.353 4.692 4.340 -0.001 0.000 0.259 150 Q C -0.806 175.202 176.000 0.013 0.000 0.993 150 Q CA -0.406 55.391 55.803 -0.010 0.000 0.854 150 Q CB 0.892 29.624 28.738 -0.010 0.000 1.231 150 Q HN 0.457 nan 8.270 nan 0.000 0.462 151 R N 3.072 123.541 120.500 -0.051 0.000 2.441 151 R HA 0.321 4.661 4.340 -0.001 0.000 0.284 151 R C -0.645 175.534 176.300 -0.202 0.000 1.070 151 R CA -0.202 55.898 56.100 0.001 0.000 1.047 151 R CB 0.713 31.047 30.300 0.057 0.000 1.016 151 R HN 0.564 nan 8.270 nan 0.000 0.477 152 F N 2.024 121.829 119.950 -0.241 0.000 2.438 152 F HA 0.176 4.705 4.527 0.004 0.000 0.315 152 F C -0.101 175.557 175.800 -0.235 0.000 1.258 152 F CA -0.874 56.828 58.000 -0.496 0.000 1.180 152 F CB 0.394 38.926 39.000 -0.780 0.000 1.412 152 F HN 0.291 nan 8.300 nan 0.000 0.544 153 D N 1.764 122.174 120.400 0.017 0.000 2.443 153 D HA -0.028 4.612 4.640 -0.001 0.000 0.239 153 D C 0.551 176.874 176.300 0.038 0.000 1.136 153 D CA 0.491 54.476 54.000 -0.024 0.000 0.879 153 D CB 0.540 41.288 40.800 -0.087 0.000 1.195 153 D HN 0.491 nan 8.370 nan 0.000 0.443 154 E N 0.667 120.815 120.200 -0.086 0.000 2.210 154 E HA -0.259 4.090 4.350 -0.001 0.000 0.201 154 E C -0.813 175.868 176.600 0.135 0.000 1.339 154 E CA 0.632 57.028 56.400 -0.007 0.000 0.699 154 E CB -1.192 28.477 29.700 -0.050 0.000 1.126 154 E HN 0.428 nan 8.360 nan 0.000 0.355 155 H N -0.067 119.012 119.070 0.015 0.000 2.823 155 H HA 0.318 4.872 4.556 -0.003 0.000 0.332 155 H C -0.950 174.413 175.328 0.059 0.000 0.980 155 H CA -0.621 55.463 56.048 0.060 0.000 1.286 155 H CB 0.658 30.472 29.762 0.087 0.000 1.541 155 H HN 0.225 nan 8.280 nan 0.000 0.521 156 F N 4.924 124.852 119.950 -0.038 0.000 2.404 156 F HA 0.274 4.799 4.527 -0.003 0.000 0.359 156 F C -0.285 175.503 175.800 -0.020 0.000 1.134 156 F CA -0.593 57.380 58.000 -0.044 0.000 1.160 156 F CB 0.257 39.200 39.000 -0.095 0.000 1.186 156 F HN 0.246 nan 8.300 nan 0.000 0.526 157 V N 8.414 128.286 119.914 -0.070 0.000 2.529 157 V HA -0.084 4.035 4.120 -0.001 0.000 0.292 157 V C 1.041 177.186 176.094 0.086 0.000 1.028 157 V CA 0.408 62.701 62.300 -0.012 0.000 1.074 157 V CB 0.874 32.633 31.823 -0.106 0.000 0.958 157 V HN 0.886 nan 8.190 nan 0.000 0.481 158 L N 2.819 124.149 121.223 0.178 0.000 2.115 158 L HA 0.272 4.612 4.340 -0.001 0.000 0.200 158 L C 0.779 177.755 176.870 0.178 0.000 1.094 158 L CA 1.016 56.001 54.840 0.241 0.000 0.769 158 L CB 0.108 42.276 42.059 0.181 0.000 0.931 158 L HN 0.660 nan 8.230 nan 0.000 0.455 159 D N -1.452 119.023 120.400 0.124 0.000 2.559 159 D HA 0.437 5.077 4.640 -0.001 0.000 0.250 159 D C -0.969 175.372 176.300 0.069 0.000 1.135 159 D CA -0.615 53.465 54.000 0.134 0.000 0.955 159 D CB 1.919 42.820 40.800 0.169 0.000 1.442 159 D HN 0.095 nan 8.370 nan 0.000 0.471 160 I N -1.661 118.929 120.570 0.034 0.000 2.947 160 I HA 0.531 4.701 4.170 -0.001 0.000 0.314 160 I C -0.531 175.535 176.117 -0.085 0.000 1.028 160 I CA -1.038 60.197 61.300 -0.109 0.000 1.077 160 I CB 1.470 39.297 38.000 -0.288 0.000 1.274 160 I HN 0.173 nan 8.210 nan 0.000 0.485 161 L N 4.114 125.292 121.223 -0.075 0.000 2.276 161 L HA 0.568 4.908 4.340 -0.001 0.000 0.286 161 L C -0.739 176.117 176.870 -0.022 0.000 1.024 161 L CA -0.724 54.115 54.840 -0.003 0.000 0.826 161 L CB 1.390 43.459 42.059 0.018 0.000 1.211 161 L HN 0.389 nan 8.230 nan 0.000 0.422 162 V N 1.702 121.632 119.914 0.027 0.000 2.628 162 V HA 0.543 4.663 4.120 -0.001 0.000 0.306 162 V C -0.962 175.180 176.094 0.080 0.000 1.045 162 V CA -0.469 61.855 62.300 0.039 0.000 0.905 162 V CB 2.397 34.250 31.823 0.050 0.000 0.997 162 V HN 0.683 nan 8.190 nan 0.000 0.436 163 D N 2.580 123.023 120.400 0.071 0.000 2.891 163 D HA 0.378 5.018 4.640 -0.001 0.000 0.224 163 D C -0.470 175.867 176.300 0.061 0.000 1.321 163 D CA -0.156 53.880 54.000 0.060 0.000 0.929 163 D CB 1.488 42.314 40.800 0.043 0.000 1.551 163 D HN 0.651 nan 8.370 nan 0.000 0.574 164 D N 3.453 123.883 120.400 0.049 0.000 2.699 164 D HA -0.121 4.518 4.640 -0.001 0.000 0.239 164 D C 1.013 177.349 176.300 0.060 0.000 1.136 164 D CA 2.297 56.323 54.000 0.044 0.000 0.668 164 D CB -1.114 39.706 40.800 0.033 0.000 1.060 164 D HN 1.026 nan 8.370 nan 0.000 0.429 165 G N 0.133 108.965 108.800 0.054 0.000 2.180 165 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.263 165 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.263 165 G C 0.132 175.059 174.900 0.045 0.000 0.989 165 G CA 0.744 45.867 45.100 0.038 0.000 0.692 165 G HN 0.867 nan 8.290 nan 0.000 0.526 166 H N -0.762 118.295 119.070 -0.022 0.000 2.600 166 H HA 0.581 5.141 4.556 0.007 0.000 0.357 166 H C -0.253 175.054 175.328 -0.036 0.000 1.106 166 H CA -0.255 55.774 56.048 -0.033 0.000 1.193 166 H CB 2.036 31.785 29.762 -0.021 0.000 1.594 166 H HN 0.192 nan 8.280 nan 0.000 0.526 167 V N 5.304 125.223 119.914 0.009 0.000 2.686 167 V HA 0.202 4.321 4.120 -0.001 0.000 0.295 167 V C 0.472 176.698 176.094 0.220 0.000 1.055 167 V CA 0.014 62.344 62.300 0.050 0.000 1.050 167 V CB 0.708 32.483 31.823 -0.081 0.000 0.984 167 V HN 0.747 nan 8.190 nan 0.000 0.482 168 R N 4.027 124.584 120.500 0.095 0.000 2.509 168 R HA 0.441 4.780 4.340 -0.001 0.000 0.297 168 R C 0.399 176.721 176.300 0.036 0.000 0.951 168 R CA 0.631 56.775 56.100 0.073 0.000 1.103 168 R CB 0.638 30.966 30.300 0.048 0.000 1.283 168 R HN 1.048 nan 8.270 nan 0.000 0.534 169 G N 0.782 109.590 108.800 0.014 0.000 2.302 169 G HA2 0.174 4.134 3.960 -0.001 0.000 0.276 169 G HA3 0.174 4.134 3.960 -0.001 0.000 0.276 169 G C -1.944 172.941 174.900 -0.025 0.000 1.316 169 G CA -0.556 44.542 45.100 -0.004 0.000 0.988 169 G HN 0.092 nan 8.290 nan 0.000 0.479 170 L N -3.356 117.851 121.223 -0.027 0.000 2.568 170 L HA 0.947 5.287 4.340 -0.001 0.000 0.257 170 L C -0.679 176.189 176.870 -0.004 0.000 1.024 170 L CA -1.313 53.511 54.840 -0.027 0.000 0.854 170 L CB 1.637 43.661 42.059 -0.058 0.000 1.460 170 L HN 0.801 nan 8.230 nan 0.000 0.409 171 V N 0.812 120.738 119.914 0.019 0.000 2.448 171 V HA 0.963 5.082 4.120 -0.001 0.000 0.295 171 V C 0.209 176.337 176.094 0.056 0.000 1.025 171 V CA 0.233 62.560 62.300 0.045 0.000 0.859 171 V CB 0.999 32.856 31.823 0.057 0.000 0.988 171 V HN 1.198 nan 8.190 nan 0.000 0.431 172 A N 5.338 128.200 122.820 0.071 0.000 2.437 172 A HA 0.968 5.287 4.320 -0.001 0.000 0.292 172 A C -0.833 176.811 177.584 0.099 0.000 1.173 172 A CA -0.763 51.336 52.037 0.102 0.000 0.785 172 A CB 2.200 21.261 19.000 0.101 0.000 1.351 172 A HN 0.763 nan 8.150 nan 0.000 0.431 173 M N 1.861 121.507 119.600 0.077 0.000 2.253 173 M HA 0.273 4.752 4.480 -0.001 0.000 0.314 173 M C -0.937 175.240 176.300 -0.206 0.000 1.019 173 M CA -0.656 54.625 55.300 -0.031 0.000 0.932 173 M CB 1.232 33.794 32.600 -0.063 0.000 1.606 173 M HN 0.828 nan 8.290 nan 0.000 0.430 174 N N 5.002 123.519 118.700 -0.304 0.000 2.416 174 N HA 0.061 4.800 4.740 -0.001 0.000 0.271 174 N C 0.682 176.016 175.510 -0.294 0.000 1.245 174 N CA 0.326 53.034 53.050 -0.570 0.000 0.940 174 N CB 0.598 38.929 38.487 -0.259 0.000 1.175 174 N HN 0.835 nan 8.380 nan 0.000 0.483 175 M N 2.590 122.023 119.600 -0.278 0.000 2.149 175 M HA -0.224 4.255 4.480 -0.001 0.000 0.261 175 M C 1.773 178.040 176.300 -0.055 0.000 1.064 175 M CA 1.648 56.821 55.300 -0.211 0.000 1.102 175 M CB -0.123 32.321 32.600 -0.260 0.000 1.369 175 M HN 0.502 nan 8.290 nan 0.000 0.408 176 M N 0.253 119.892 119.600 0.066 0.000 2.123 176 M HA -0.104 4.376 4.480 -0.001 0.000 0.263 176 M C 1.973 178.311 176.300 0.063 0.000 1.069 176 M CA 1.752 57.145 55.300 0.154 0.000 1.133 176 M CB -0.268 32.412 32.600 0.134 0.000 1.356 176 M HN 0.023 nan 8.290 nan 0.000 0.415 177 E N -0.644 119.565 120.200 0.016 0.000 2.107 177 E HA 0.037 4.386 4.350 -0.001 0.000 0.191 177 E C 1.544 178.133 176.600 -0.018 0.000 0.982 177 E CA 1.167 57.572 56.400 0.008 0.000 0.809 177 E CB -0.458 29.252 29.700 0.017 0.000 0.756 177 E HN 0.663 nan 8.360 nan 0.000 0.459 178 G N 1.579 110.345 108.800 -0.057 0.000 2.176 178 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.253 178 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.253 178 G C 0.569 175.433 174.900 -0.060 0.000 0.979 178 G CA 0.830 45.885 45.100 -0.077 0.000 0.641 178 G HN 0.430 nan 8.290 nan 0.000 0.530 179 T N -0.595 113.937 114.554 -0.036 0.000 2.875 179 T HA 0.737 5.087 4.350 -0.001 0.000 0.284 179 T C 0.524 175.228 174.700 0.008 0.000 0.995 179 T CA -0.888 61.210 62.100 -0.004 0.000 1.060 179 T CB 2.130 71.016 68.868 0.030 0.000 0.967 179 T HN 0.460 nan 8.240 nan 0.000 0.476 180 L N 2.222 123.460 121.223 0.026 0.000 2.418 180 L HA 0.701 5.040 4.340 -0.001 0.000 0.265 180 L C -0.276 176.660 176.870 0.110 0.000 1.143 180 L CA -0.984 53.886 54.840 0.051 0.000 0.809 180 L CB 1.247 43.328 42.059 0.037 0.000 1.124 180 L HN 0.489 nan 8.230 nan 0.000 0.456 181 V N 1.181 121.182 119.914 0.144 0.000 3.007 181 V HA 0.329 4.449 4.120 -0.001 0.000 0.311 181 V C -0.752 175.446 176.094 0.173 0.000 1.120 181 V CA -0.750 61.686 62.300 0.226 0.000 0.980 181 V CB 2.247 34.292 31.823 0.370 0.000 1.033 181 V HN 0.694 nan 8.190 nan 0.000 0.429 182 Q N 2.904 122.821 119.800 0.194 0.000 2.333 182 Q HA 0.632 4.972 4.340 -0.001 0.000 0.265 182 Q C -1.327 174.772 176.000 0.165 0.000 0.989 182 Q CA -0.355 55.524 55.803 0.127 0.000 0.842 182 Q CB 2.345 31.132 28.738 0.081 0.000 1.262 182 Q HN 0.595 nan 8.270 nan 0.000 0.451 183 I N 3.199 123.810 120.570 0.068 0.000 2.355 183 I HA 0.384 4.553 4.170 -0.001 0.000 0.288 183 I C -0.086 176.044 176.117 0.022 0.000 0.999 183 I CA -0.709 60.612 61.300 0.035 0.000 1.163 183 I CB 1.107 39.003 38.000 -0.173 0.000 1.316 183 I HN 0.313 nan 8.210 nan 0.000 0.454 184 R N 4.928 125.460 120.500 0.053 0.000 2.312 184 R HA 0.836 5.176 4.340 -0.001 0.000 0.311 184 R C -0.753 175.567 176.300 0.032 0.000 1.004 184 R CA -0.536 55.586 56.100 0.036 0.000 0.902 184 R CB 1.958 32.281 30.300 0.039 0.000 1.073 184 R HN 0.766 nan 8.270 nan 0.000 0.457 185 A N 2.545 125.382 122.820 0.028 0.000 2.555 185 A HA 0.244 4.564 4.320 -0.001 0.000 0.297 185 A C -0.371 177.251 177.584 0.063 0.000 1.060 185 A CA -0.781 51.277 52.037 0.035 0.000 0.710 185 A CB 1.197 20.207 19.000 0.016 0.000 1.282 185 A HN 0.668 nan 8.150 nan 0.000 0.399 186 N N 0.595 119.344 118.700 0.081 0.000 2.434 186 N HA 0.336 5.076 4.740 -0.001 0.000 0.196 186 N C 0.066 175.710 175.510 0.223 0.000 1.183 186 N CA 1.166 54.310 53.050 0.157 0.000 0.849 186 N CB 0.592 39.146 38.487 0.111 0.000 0.992 186 N HN 0.994 nan 8.380 nan 0.000 0.460 187 A N -0.393 122.510 122.820 0.138 0.000 2.540 187 A HA 0.605 4.924 4.320 -0.001 0.000 0.297 187 A C -1.230 176.413 177.584 0.098 0.000 1.056 187 A CA -0.491 51.640 52.037 0.157 0.000 0.700 187 A CB 1.468 20.564 19.000 0.160 0.000 1.280 187 A HN -0.098 nan 8.150 nan 0.000 0.398 188 V N 2.056 122.045 119.914 0.125 0.000 2.686 188 V HA 0.518 4.638 4.120 -0.001 0.000 0.306 188 V C -0.633 175.525 176.094 0.106 0.000 1.065 188 V CA -0.586 61.747 62.300 0.055 0.000 0.894 188 V CB 1.965 33.785 31.823 -0.005 0.000 1.004 188 V HN 0.793 nan 8.190 nan 0.000 0.424 189 V N 5.380 125.314 119.914 0.033 0.000 2.347 189 V HA 0.439 4.558 4.120 -0.001 0.000 0.280 189 V C 0.149 176.241 176.094 -0.004 0.000 1.021 189 V CA -0.557 61.765 62.300 0.036 0.000 0.847 189 V CB 1.557 33.354 31.823 -0.043 0.000 0.990 189 V HN 0.733 nan 8.190 nan 0.000 0.444 190 M N 4.405 124.006 119.600 0.001 0.000 2.105 190 M HA 0.445 4.924 4.480 -0.001 0.000 0.350 190 M C 0.331 176.608 176.300 -0.038 0.000 1.308 190 M CA 0.082 55.356 55.300 -0.042 0.000 1.108 190 M CB 0.855 33.419 32.600 -0.059 0.000 1.622 190 M HN 0.776 nan 8.290 nan 0.000 0.468 191 A N 2.664 125.454 122.820 -0.050 0.000 2.992 191 A HA 0.288 4.608 4.320 -0.001 0.000 0.263 191 A C 1.004 178.558 177.584 -0.051 0.000 0.928 191 A CA -0.324 51.692 52.037 -0.035 0.000 1.061 191 A CB -0.329 18.661 19.000 -0.017 0.000 1.173 191 A HN 0.795 nan 8.150 nan 0.000 0.482 192 T N -2.961 111.545 114.554 -0.080 0.000 3.113 192 T HA 0.441 4.791 4.350 -0.001 0.000 0.256 192 T C 1.156 175.802 174.700 -0.089 0.000 1.131 192 T CA 1.126 63.164 62.100 -0.103 0.000 1.074 192 T CB -0.250 68.527 68.868 -0.152 0.000 0.944 192 T HN 2.167 nan 8.240 nan 0.000 0.516 193 G N -0.293 108.465 108.800 -0.071 0.000 2.710 193 G HA2 0.296 4.255 3.960 -0.001 0.000 0.668 193 G HA3 0.296 4.255 3.960 -0.001 0.000 0.668 193 G C 0.072 174.901 174.900 -0.118 0.000 1.320 193 G CA -0.537 44.523 45.100 -0.067 0.000 0.860 193 G HN 0.813 nan 8.290 nan 0.000 0.538 194 G N -1.324 107.388 108.800 -0.147 0.000 2.516 194 G HA2 0.690 4.649 3.960 -0.001 0.000 0.276 194 G HA3 0.690 4.649 3.960 -0.001 0.000 0.276 194 G C 0.846 175.647 174.900 -0.166 0.000 1.390 194 G CA 0.736 45.710 45.100 -0.210 0.000 1.050 194 G HN 2.142 nan 8.290 nan 0.000 0.519 195 A N -1.077 121.650 122.820 -0.156 0.000 2.643 195 A HA 0.548 4.868 4.320 -0.001 0.000 0.295 195 A C 1.737 179.294 177.584 -0.045 0.000 1.065 195 A CA 0.838 52.820 52.037 -0.091 0.000 0.986 195 A CB 0.093 19.052 19.000 -0.067 0.000 1.212 195 A HN 1.035 nan 8.150 nan 0.000 0.516 196 G N 0.377 109.119 108.800 -0.097 0.000 2.462 196 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.220 196 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.220 196 G C 1.406 176.315 174.900 0.015 0.000 1.121 196 G CA 0.444 45.504 45.100 -0.067 0.000 0.758 196 G HN 0.466 nan 8.290 nan 0.000 0.559 197 R N 0.417 120.895 120.500 -0.036 0.000 2.377 197 R HA -0.054 4.286 4.340 -0.001 0.000 0.207 197 R C 2.372 178.674 176.300 0.004 0.000 1.075 197 R CA 1.079 57.163 56.100 -0.027 0.000 1.035 197 R CB -0.407 29.862 30.300 -0.051 0.000 0.857 197 R HN 0.536 nan 8.270 nan 0.000 0.475 198 V N -3.234 116.703 119.914 0.038 0.000 3.573 198 V HA 0.057 4.176 4.120 -0.001 0.000 0.270 198 V C 0.393 176.431 176.094 -0.093 0.000 1.221 198 V CA 0.268 62.546 62.300 -0.037 0.000 1.163 198 V CB -0.832 30.938 31.823 -0.087 0.000 0.847 198 V HN -0.063 nan 8.190 nan 0.000 0.468 199 Y N 0.171 120.410 120.300 -0.103 0.000 2.361 199 Y HA 0.595 5.144 4.550 -0.001 0.000 0.332 199 Y C 1.657 177.457 175.900 -0.166 0.000 1.101 199 Y CA -0.850 57.185 58.100 -0.109 0.000 1.137 199 Y CB 1.245 39.638 38.460 -0.112 0.000 1.207 199 Y HN -0.189 nan 8.280 nan 0.000 0.463 200 R N 1.772 122.230 120.500 -0.071 0.000 2.096 200 R HA -0.154 4.186 4.340 -0.001 0.000 0.240 200 R C -0.862 175.088 176.300 -0.583 0.000 1.139 200 R CA 1.641 57.505 56.100 -0.394 0.000 0.952 200 R CB -0.294 29.677 30.300 -0.548 0.000 0.854 200 R HN 0.704 nan 8.270 nan 0.000 0.436 201 Y N 0.381 120.694 120.300 0.023 0.000 2.331 201 Y HA 0.278 4.828 4.550 -0.001 0.000 0.334 201 Y C -0.075 175.769 175.900 -0.094 0.000 0.960 201 Y CA -1.152 56.927 58.100 -0.035 0.000 1.130 201 Y CB 1.406 39.845 38.460 -0.035 0.000 1.164 201 Y HN 0.180 nan 8.280 nan 0.000 0.458 202 N N -2.147 116.566 118.700 0.022 0.000 2.934 202 N HA 0.363 5.102 4.740 -0.001 0.000 0.253 202 N C -0.045 175.447 175.510 -0.029 0.000 1.466 202 N CA -0.710 52.301 53.050 -0.065 0.000 0.858 202 N CB 1.193 39.617 38.487 -0.105 0.000 1.459 202 N HN 0.313 nan 8.380 nan 0.000 0.532 203 T N -3.634 110.918 114.554 -0.002 0.000 3.060 203 T HA 0.222 4.571 4.350 -0.001 0.000 0.249 203 T C 0.095 174.826 174.700 0.051 0.000 1.079 203 T CA -0.128 62.007 62.100 0.059 0.000 1.013 203 T CB -0.930 68.058 68.868 0.199 0.000 0.975 203 T HN 0.503 nan 8.240 nan 0.000 0.518 204 N N 0.896 119.548 118.700 -0.079 0.000 2.354 204 N HA 0.430 5.170 4.740 -0.001 0.000 0.246 204 N C 0.303 175.700 175.510 -0.187 0.000 1.285 204 N CA -0.460 52.420 53.050 -0.283 0.000 0.925 204 N CB 0.389 38.681 38.487 -0.324 0.000 1.174 204 N HN 0.404 nan 8.380 nan 0.000 0.478 205 G N -1.281 107.348 108.800 -0.285 0.000 2.425 205 G HA2 0.330 4.289 3.960 -0.001 0.000 0.302 205 G HA3 0.330 4.289 3.960 -0.001 0.000 0.302 205 G C 1.041 175.899 174.900 -0.070 0.000 1.159 205 G CA -0.556 44.516 45.100 -0.046 0.000 0.865 205 G HN 0.586 nan 8.290 nan 0.000 0.515 206 G N 1.096 109.880 108.800 -0.027 0.000 2.545 206 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.222 206 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.222 206 G C 1.674 176.551 174.900 -0.039 0.000 1.126 206 G CA 1.626 46.700 45.100 -0.043 0.000 0.754 206 G HN 0.904 nan 8.290 nan 0.000 0.583 207 I N -0.781 119.784 120.570 -0.009 0.000 2.614 207 I HA 0.070 4.240 4.170 -0.001 0.000 0.258 207 I C 1.013 177.107 176.117 -0.039 0.000 1.189 207 I CA 0.220 61.520 61.300 -0.001 0.000 1.462 207 I CB -0.365 37.648 38.000 0.022 0.000 1.092 207 I HN -0.118 nan 8.210 nan 0.000 0.442 208 V N 3.383 123.248 119.914 -0.081 0.000 1.959 208 V HA -0.012 4.107 4.120 -0.001 0.000 0.242 208 V C 1.496 177.536 176.094 -0.089 0.000 1.613 208 V CA 1.180 63.411 62.300 -0.115 0.000 1.566 208 V CB -1.750 29.947 31.823 -0.210 0.000 1.547 208 V HN 0.668 nan 8.190 nan 0.000 0.503 209 T N -2.081 112.437 114.554 -0.059 0.000 3.086 209 T HA 0.303 4.652 4.350 -0.001 0.000 0.250 209 T C 1.494 176.174 174.700 -0.033 0.000 1.074 209 T CA 0.435 62.521 62.100 -0.023 0.000 0.988 209 T CB 0.518 69.407 68.868 0.035 0.000 0.988 209 T HN 1.033 nan 8.240 nan 0.000 0.530 210 G N 1.897 110.646 108.800 -0.085 0.000 2.147 210 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.244 210 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.244 210 G C 0.367 175.156 174.900 -0.186 0.000 1.005 210 G CA 0.237 45.269 45.100 -0.113 0.000 0.713 210 G HN 0.481 nan 8.290 nan 0.000 0.515 211 D N 0.541 120.793 120.400 -0.248 0.000 2.103 211 D HA -0.107 4.532 4.640 -0.001 0.000 0.190 211 D C 2.558 178.522 176.300 -0.560 0.000 0.997 211 D CA 2.068 55.740 54.000 -0.546 0.000 0.833 211 D CB -0.942 39.606 40.800 -0.420 0.000 0.961 211 D HN 0.612 nan 8.370 nan 0.000 0.447 212 G N 0.558 109.158 108.800 -0.333 0.000 2.513 212 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.219 212 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.219 212 G C 1.679 176.453 174.900 -0.209 0.000 1.160 212 G CA 1.225 46.178 45.100 -0.245 0.000 0.767 212 G HN 0.219 nan 8.290 nan 0.000 0.571 213 M N 0.553 120.038 119.600 -0.191 0.000 2.117 213 M HA 0.010 4.489 4.480 -0.001 0.000 0.262 213 M C 2.889 179.115 176.300 -0.123 0.000 1.065 213 M CA 1.463 56.677 55.300 -0.144 0.000 1.114 213 M CB -0.477 32.047 32.600 -0.127 0.000 1.361 213 M HN 0.291 nan 8.290 nan 0.000 0.408 214 G N -0.140 108.568 108.800 -0.153 0.000 2.432 214 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 214 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 214 G C 1.530 176.446 174.900 0.026 0.000 1.135 214 G CA 0.639 45.733 45.100 -0.010 0.000 0.767 214 G HN 0.337 nan 8.290 nan 0.000 0.550 215 M N 0.555 120.090 119.600 -0.108 0.000 2.099 215 M HA 0.032 4.511 4.480 -0.001 0.000 0.262 215 M C 3.094 179.442 176.300 0.080 0.000 1.067 215 M CA 1.371 56.683 55.300 0.018 0.000 1.124 215 M CB -0.207 32.352 32.600 -0.068 0.000 1.353 215 M HN 0.316 nan 8.290 nan 0.000 0.410 216 A N 0.364 123.176 122.820 -0.013 0.000 1.933 216 A HA -0.142 4.177 4.320 -0.001 0.000 0.218 216 A C 2.102 179.702 177.584 0.027 0.000 1.175 216 A CA 1.247 53.279 52.037 -0.007 0.000 0.628 216 A CB -0.969 17.985 19.000 -0.077 0.000 0.814 216 A HN 0.453 nan 8.150 nan 0.000 0.444 217 L N -0.269 120.952 121.223 -0.003 0.000 2.043 217 L HA -0.199 4.141 4.340 -0.001 0.000 0.212 217 L C 2.678 179.560 176.870 0.021 0.000 1.075 217 L CA 1.775 56.609 54.840 -0.009 0.000 0.752 217 L CB -0.429 41.621 42.059 -0.015 0.000 0.891 217 L HN 0.362 nan 8.230 nan 0.000 0.432 218 S N -1.840 113.883 115.700 0.038 0.000 2.469 218 S HA -0.130 4.339 4.470 -0.001 0.000 0.238 218 S C 1.174 175.659 174.600 -0.192 0.000 0.998 218 S CA 0.706 58.873 58.200 -0.055 0.000 0.957 218 S CB -0.278 62.888 63.200 -0.057 0.000 0.764 218 S HN 0.470 nan 8.310 nan 0.000 0.514 219 H N -0.336 118.734 119.070 0.001 0.000 2.488 219 H HA 0.309 4.861 4.556 -0.006 0.000 0.294 219 H C 1.559 176.893 175.328 0.010 0.000 1.088 219 H CA 0.387 56.435 56.048 0.001 0.000 1.086 219 H CB 0.100 29.855 29.762 -0.013 0.000 1.569 219 H HN 0.488 nan 8.280 nan 0.000 0.548 220 G N 1.018 109.874 108.800 0.094 0.000 2.205 220 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.261 220 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.261 220 G C 0.467 175.442 174.900 0.125 0.000 0.980 220 G CA 0.393 45.573 45.100 0.133 0.000 0.632 220 G HN 0.252 nan 8.290 nan 0.000 0.533 221 V N 3.418 123.347 119.914 0.026 0.000 2.614 221 V HA 0.483 4.602 4.120 -0.001 0.000 0.291 221 V C -1.098 174.832 176.094 -0.273 0.000 1.049 221 V CA -0.717 61.528 62.300 -0.093 0.000 1.038 221 V CB 1.427 33.195 31.823 -0.091 0.000 0.980 221 V HN 0.314 nan 8.190 nan 0.000 0.481 222 P HA 0.441 nan 4.420 nan 0.000 0.293 222 P C -1.229 175.809 177.300 -0.436 0.000 1.291 222 P CA -0.652 61.969 63.100 -0.799 0.000 0.867 222 P CB 1.663 32.403 31.700 -1.600 0.000 1.074 223 L N 2.604 123.621 121.223 -0.345 0.000 2.275 223 L HA 0.471 4.810 4.340 -0.001 0.000 0.288 223 L C 1.139 177.888 176.870 -0.202 0.000 1.046 223 L CA -0.639 54.069 54.840 -0.221 0.000 0.805 223 L CB 0.982 42.946 42.059 -0.159 0.000 1.193 223 L HN 0.403 nan 8.230 nan 0.000 0.426 224 R N 3.189 123.589 120.500 -0.166 0.000 2.428 224 R HA 0.173 4.512 4.340 -0.001 0.000 0.294 224 R C -0.439 175.845 176.300 -0.027 0.000 1.000 224 R CA -0.433 55.595 56.100 -0.120 0.000 0.960 224 R CB 0.843 31.036 30.300 -0.179 0.000 1.076 224 R HN 0.646 nan 8.270 nan 0.000 0.475 225 D N 3.947 124.389 120.400 0.070 0.000 2.701 225 D HA -0.196 4.444 4.640 -0.001 0.000 0.235 225 D C 0.675 177.059 176.300 0.140 0.000 1.155 225 D CA 0.733 54.869 54.000 0.227 0.000 0.649 225 D CB -0.334 40.712 40.800 0.410 0.000 1.050 225 D HN 0.594 nan 8.370 nan 0.000 0.425 226 M N -0.340 119.259 119.600 -0.000 0.000 2.549 226 M HA -0.120 4.359 4.480 -0.001 0.000 0.260 226 M C 2.120 178.371 176.300 -0.082 0.000 1.076 226 M CA 1.115 56.394 55.300 -0.034 0.000 1.090 226 M CB -0.440 32.128 32.600 -0.053 0.000 1.418 226 M HN 0.314 nan 8.290 nan 0.000 0.486 227 E N 0.037 120.092 120.200 -0.241 0.000 2.285 227 E HA -0.111 4.238 4.350 -0.001 0.000 0.194 227 E C 0.005 176.362 176.600 -0.405 0.000 0.997 227 E CA 0.398 56.566 56.400 -0.388 0.000 0.845 227 E CB -0.553 28.743 29.700 -0.672 0.000 0.782 227 E HN 0.383 nan 8.360 nan 0.000 0.491 228 F N 2.298 122.276 119.950 0.047 0.000 2.509 228 F HA 0.197 4.723 4.527 -0.002 0.000 0.350 228 F C -0.003 175.843 175.800 0.076 0.000 1.220 228 F CA -0.489 57.558 58.000 0.079 0.000 1.151 228 F CB 0.668 39.714 39.000 0.077 0.000 1.379 228 F HN -0.285 nan 8.300 nan 0.000 0.610 229 V N 3.452 123.480 119.914 0.190 0.000 2.398 229 V HA 0.230 4.349 4.120 -0.001 0.000 0.286 229 V C -0.058 176.151 176.094 0.191 0.000 1.026 229 V CA -0.857 61.526 62.300 0.137 0.000 0.868 229 V CB 1.616 33.506 31.823 0.111 0.000 0.982 229 V HN 0.603 nan 8.190 nan 0.000 0.443 230 Q N 3.519 123.421 119.800 0.171 0.000 2.274 230 Q HA 0.375 4.714 4.340 -0.001 0.000 0.256 230 Q C -1.723 174.404 176.000 0.211 0.000 0.927 230 Q CA -0.440 55.492 55.803 0.215 0.000 0.939 230 Q CB 0.861 29.738 28.738 0.233 0.000 1.201 230 Q HN 0.677 nan 8.270 nan 0.000 0.426 231 Y N 1.897 122.202 120.300 0.009 0.000 2.361 231 Y HA 0.229 4.779 4.550 -0.001 0.000 0.332 231 Y C -0.307 175.600 175.900 0.012 0.000 1.101 231 Y CA -0.577 57.517 58.100 -0.009 0.000 1.137 231 Y CB 1.326 39.736 38.460 -0.084 0.000 1.207 231 Y HN 0.683 nan 8.280 nan 0.000 0.463 232 H N 5.155 124.247 119.070 0.038 0.000 2.473 232 H HA 0.246 4.801 4.556 -0.001 0.000 0.327 232 H C -1.692 173.605 175.328 -0.051 0.000 1.105 232 H CA -2.096 53.905 56.048 -0.078 0.000 1.280 232 H CB 1.674 31.249 29.762 -0.311 0.000 1.450 232 H HN 0.345 nan 8.280 nan 0.000 0.492 233 P HA -0.118 nan 4.420 nan 0.000 0.217 233 P C -0.072 177.243 177.300 0.024 0.000 1.150 233 P CA 1.091 64.156 63.100 -0.058 0.000 0.832 233 P CB 0.204 31.840 31.700 -0.105 0.000 0.787 234 T N -2.044 112.633 114.554 0.206 0.000 2.963 234 T HA 0.694 5.043 4.350 -0.001 0.000 0.343 234 T C 0.135 174.862 174.700 0.045 0.000 1.146 234 T CA -0.776 61.391 62.100 0.111 0.000 1.016 234 T CB 1.090 70.029 68.868 0.118 0.000 1.046 234 T HN 0.075 nan 8.240 nan 0.000 0.496 235 G N 2.742 111.520 108.800 -0.036 0.000 2.574 235 G HA2 0.633 4.593 3.960 -0.001 0.000 0.299 235 G HA3 0.633 4.593 3.960 -0.001 0.000 0.299 235 G C -0.674 174.183 174.900 -0.071 0.000 1.298 235 G CA -1.217 43.839 45.100 -0.074 0.000 0.952 235 G HN 0.796 nan 8.290 nan 0.000 0.477 236 L N 2.186 123.376 121.223 -0.055 0.000 2.426 236 L HA 0.266 4.606 4.340 -0.001 0.000 0.271 236 L C -1.577 175.254 176.870 -0.065 0.000 1.169 236 L CA -1.439 53.380 54.840 -0.036 0.000 0.836 236 L CB 1.089 43.146 42.059 -0.004 0.000 1.112 236 L HN 0.301 nan 8.230 nan 0.000 0.465 237 P HA 0.032 nan 4.420 nan 0.000 0.269 237 P C 0.675 177.927 177.300 -0.079 0.000 1.209 237 P CA 0.712 63.743 63.100 -0.115 0.000 0.776 237 P CB 1.251 32.903 31.700 -0.081 0.000 0.876 238 G N 2.739 111.464 108.800 -0.124 0.000 4.754 238 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.222 238 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.222 238 G C 1.482 176.456 174.900 0.124 0.000 1.377 238 G CA 0.985 46.114 45.100 0.048 0.000 0.942 238 G HN 0.649 nan 8.290 nan 0.000 0.671 239 S N 0.666 116.380 115.700 0.023 0.000 2.368 239 S HA 0.298 4.767 4.470 -0.001 0.000 0.224 239 S C 2.722 177.319 174.600 -0.005 0.000 1.029 239 S CA 2.107 60.287 58.200 -0.034 0.000 0.988 239 S CB -0.534 62.575 63.200 -0.151 0.000 0.838 239 S HN 2.726 nan 8.310 nan 0.000 0.462 240 G N 1.097 109.894 108.800 -0.006 0.000 2.159 240 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.256 240 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.256 240 G C 0.064 174.937 174.900 -0.045 0.000 0.977 240 G CA 0.114 45.210 45.100 -0.005 0.000 0.652 240 G HN 0.614 nan 8.290 nan 0.000 0.531 241 I N 1.102 121.629 120.570 -0.072 0.000 2.668 241 I HA 0.138 4.307 4.170 -0.001 0.000 0.285 241 I C 1.215 177.281 176.117 -0.085 0.000 1.168 241 I CA -0.611 60.640 61.300 -0.080 0.000 1.424 241 I CB 0.561 38.492 38.000 -0.115 0.000 1.377 241 I HN 0.214 nan 8.210 nan 0.000 0.560 242 L N 8.892 130.054 121.223 -0.101 0.000 2.485 242 L HA 0.089 4.429 4.340 -0.001 0.000 0.275 242 L C -0.137 176.633 176.870 -0.168 0.000 1.207 242 L CA 0.976 55.692 54.840 -0.205 0.000 0.855 242 L CB 0.274 42.180 42.059 -0.255 0.000 1.114 242 L HN 0.471 nan 8.230 nan 0.000 0.485 243 M N 5.158 124.641 119.600 -0.194 0.000 2.006 243 M HA 0.162 4.641 4.480 -0.001 0.000 0.314 243 M C 0.153 176.410 176.300 -0.071 0.000 0.926 243 M CA -0.325 54.925 55.300 -0.084 0.000 0.906 243 M CB 0.524 33.110 32.600 -0.024 0.000 1.422 243 M HN 0.811 nan 8.290 nan 0.000 0.397 244 T N 1.226 115.764 114.554 -0.026 0.000 2.882 244 T HA -0.116 4.234 4.350 -0.001 0.000 0.330 244 T C 1.329 176.120 174.700 0.152 0.000 1.075 244 T CA 0.982 63.131 62.100 0.081 0.000 1.129 244 T CB 0.436 69.402 68.868 0.162 0.000 1.071 244 T HN 0.813 nan 8.240 nan 0.000 0.531 245 E N 2.025 122.365 120.200 0.234 0.000 2.265 245 E HA -0.089 4.261 4.350 -0.001 0.000 0.196 245 E C 2.066 178.625 176.600 -0.068 0.000 0.996 245 E CA 1.037 57.480 56.400 0.071 0.000 0.832 245 E CB -0.726 28.946 29.700 -0.046 0.000 0.756 245 E HN 0.905 nan 8.360 nan 0.000 0.491 246 G N 0.886 109.694 108.800 0.013 0.000 2.469 246 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.219 246 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.219 246 G C 1.681 176.568 174.900 -0.022 0.000 1.150 246 G CA 1.007 46.096 45.100 -0.017 0.000 0.763 246 G HN 0.420 nan 8.290 nan 0.000 0.561 247 C N -0.002 119.308 119.300 0.015 0.000 2.363 247 C HA -0.136 4.323 4.460 -0.001 0.000 0.274 247 C C 3.028 178.009 174.990 -0.014 0.000 1.183 247 C CA 1.313 60.335 59.018 0.006 0.000 1.771 247 C CB -0.955 26.800 27.740 0.024 0.000 2.059 247 C HN 0.503 nan 8.230 nan 0.000 0.455 248 R N 0.013 120.501 120.500 -0.020 0.000 2.073 248 R HA -0.018 4.322 4.340 -0.001 0.000 0.229 248 R C 2.503 178.773 176.300 -0.050 0.000 1.120 248 R CA 1.396 57.481 56.100 -0.025 0.000 0.967 248 R CB -0.760 29.523 30.300 -0.028 0.000 0.862 248 R HN 0.615 nan 8.270 nan 0.000 0.436 249 G N 0.984 109.722 108.800 -0.103 0.000 2.501 249 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 249 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 249 G C 1.132 175.989 174.900 -0.072 0.000 1.114 249 G CA 0.651 45.676 45.100 -0.125 0.000 0.757 249 G HN 0.228 nan 8.290 nan 0.000 0.559 250 E N -0.630 119.539 120.200 -0.051 0.000 2.340 250 E HA 0.181 4.530 4.350 -0.001 0.000 0.194 250 E C 1.908 178.493 176.600 -0.025 0.000 0.996 250 E CA 0.807 57.186 56.400 -0.035 0.000 0.869 250 E CB 0.552 30.232 29.700 -0.034 0.000 0.835 250 E HN 0.459 nan 8.360 nan 0.000 0.493 251 G N 0.418 109.214 108.800 -0.007 0.000 2.902 251 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.215 251 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.215 251 G C 0.710 175.710 174.900 0.167 0.000 0.976 251 G CA -0.219 44.921 45.100 0.066 0.000 0.794 251 G HN 0.407 nan 8.290 nan 0.000 0.557 252 G N 0.658 109.485 108.800 0.044 0.000 2.559 252 G HA2 0.531 4.490 3.960 -0.001 0.000 0.235 252 G HA3 0.531 4.490 3.960 -0.001 0.000 0.235 252 G C 0.342 175.318 174.900 0.127 0.000 1.266 252 G CA 0.634 45.788 45.100 0.089 0.000 0.847 252 G HN 1.391 nan 8.290 nan 0.000 0.583 253 I N -1.716 118.941 120.570 0.145 0.000 2.892 253 I HA 0.719 4.888 4.170 -0.001 0.000 0.306 253 I C -0.866 175.267 176.117 0.025 0.000 1.078 253 I CA -1.412 59.914 61.300 0.042 0.000 1.032 253 I CB 2.328 40.323 38.000 -0.007 0.000 1.229 253 I HN 0.230 nan 8.210 nan 0.000 0.435 254 L N 4.674 125.857 121.223 -0.066 0.000 2.333 254 L HA 0.760 5.100 4.340 -0.001 0.000 0.280 254 L C -0.405 176.375 176.870 -0.150 0.000 1.004 254 L CA -0.919 53.892 54.840 -0.049 0.000 0.820 254 L CB 1.887 43.893 42.059 -0.088 0.000 1.247 254 L HN 0.620 nan 8.230 nan 0.000 0.416 255 V N -0.509 119.468 119.914 0.106 0.000 3.040 255 V HA 0.684 4.803 4.120 -0.001 0.000 0.312 255 V C -0.641 175.717 176.094 0.439 0.000 1.115 255 V CA -0.861 61.554 62.300 0.192 0.000 0.998 255 V CB 1.892 33.812 31.823 0.161 0.000 1.042 255 V HN 0.814 nan 8.190 nan 0.000 0.433 256 N N 1.630 120.616 118.700 0.477 0.000 2.495 256 N HA 0.283 5.023 4.740 -0.001 0.000 0.294 256 N C 0.764 176.439 175.510 0.274 0.000 1.276 256 N CA -0.341 52.923 53.050 0.355 0.000 0.973 256 N CB 0.201 38.878 38.487 0.316 0.000 1.143 256 N HN 0.893 nan 8.380 nan 0.000 0.589 257 K N -1.412 119.096 120.400 0.180 0.000 2.442 257 K HA -0.036 4.284 4.320 -0.001 0.000 0.199 257 K C 0.007 176.706 176.600 0.164 0.000 1.044 257 K CA 1.172 57.559 56.287 0.168 0.000 0.941 257 K CB -0.326 32.228 32.500 0.091 0.000 0.759 257 K HN 0.351 nan 8.250 nan 0.000 0.472 258 N N 0.555 119.361 118.700 0.176 0.000 2.230 258 N HA 0.054 4.794 4.740 -0.001 0.000 0.202 258 N C 0.466 176.090 175.510 0.189 0.000 1.119 258 N CA 0.753 53.895 53.050 0.153 0.000 0.851 258 N CB 1.136 39.699 38.487 0.126 0.000 0.990 258 N HN 0.510 nan 8.380 nan 0.000 0.497 259 G N 1.291 110.223 108.800 0.220 0.000 2.203 259 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.263 259 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.263 259 G C -0.258 174.770 174.900 0.213 0.000 1.012 259 G CA 0.354 45.569 45.100 0.192 0.000 0.749 259 G HN 0.506 nan 8.290 nan 0.000 0.512 260 Y N 0.975 121.353 120.300 0.130 0.000 2.327 260 Y HA 0.577 5.127 4.550 -0.001 0.000 0.336 260 Y C 1.079 177.056 175.900 0.129 0.000 1.035 260 Y CA -1.637 56.531 58.100 0.113 0.000 1.165 260 Y CB 0.638 39.170 38.460 0.119 0.000 1.181 260 Y HN 0.139 nan 8.280 nan 0.000 0.494 261 R N 7.031 127.194 120.500 -0.562 0.000 4.113 261 R HA -0.038 4.301 4.340 -0.001 0.000 0.179 261 R C 0.519 176.347 176.300 -0.787 0.000 1.781 261 R CA 0.151 55.907 56.100 -0.573 0.000 1.402 261 R CB -0.791 29.274 30.300 -0.392 0.000 1.375 261 R HN 0.896 nan 8.270 nan 0.000 0.786 262 Y N -1.095 118.939 120.300 -0.443 0.000 2.264 262 Y HA -0.321 4.229 4.550 -0.001 0.000 0.282 262 Y C 1.311 177.287 175.900 0.127 0.000 1.204 262 Y CA 1.074 59.127 58.100 -0.078 0.000 1.228 262 Y CB -0.597 38.027 38.460 0.274 0.000 0.971 262 Y HN 0.300 nan 8.280 nan 0.000 0.538 263 L N 1.121 122.306 121.223 -0.062 0.000 2.349 263 L HA -0.249 4.091 4.340 -0.001 0.000 0.220 263 L C 2.734 179.711 176.870 0.179 0.000 1.130 263 L CA 1.846 56.797 54.840 0.186 0.000 0.791 263 L CB -0.664 41.367 42.059 -0.048 0.000 0.918 263 L HN 0.579 nan 8.230 nan 0.000 0.444 264 Q N -1.251 118.567 119.800 0.030 0.000 2.230 264 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 264 Q C 0.703 176.730 176.000 0.044 0.000 0.963 264 Q CA 1.077 56.905 55.803 0.043 0.000 0.866 264 Q CB -0.179 28.561 28.738 0.003 0.000 0.931 264 Q HN 0.365 nan 8.270 nan 0.000 0.452 265 D N 0.044 120.434 120.400 -0.017 0.000 2.324 265 D HA -0.002 4.637 4.640 -0.001 0.000 0.235 265 D C -0.384 175.579 176.300 -0.561 0.000 1.095 265 D CA 0.418 54.271 54.000 -0.245 0.000 0.871 265 D CB 0.113 40.751 40.800 -0.271 0.000 0.906 265 D HN 0.422 nan 8.370 nan 0.000 0.522 266 Y N -0.805 119.577 120.300 0.136 0.000 2.699 266 Y HA 0.352 4.901 4.550 -0.001 0.000 0.282 266 Y C 1.603 177.560 175.900 0.095 0.000 1.058 266 Y CA -0.558 57.616 58.100 0.124 0.000 1.194 266 Y CB 0.957 39.532 38.460 0.191 0.000 1.193 266 Y HN -0.019 nan 8.280 nan 0.000 0.562 267 G N 0.525 109.407 108.800 0.137 0.000 2.162 267 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.260 267 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.260 267 G C 0.557 175.512 174.900 0.092 0.000 0.976 267 G CA 0.604 45.767 45.100 0.105 0.000 0.655 267 G HN 0.458 nan 8.290 nan 0.000 0.533 268 M N 1.075 120.745 119.600 0.118 0.000 2.576 268 M HA 0.355 4.835 4.480 -0.001 0.000 0.322 268 M C 1.443 177.834 176.300 0.152 0.000 1.184 268 M CA 0.434 55.788 55.300 0.089 0.000 0.967 268 M CB 0.849 33.502 32.600 0.088 0.000 1.372 268 M HN 0.285 nan 8.290 nan 0.000 0.509 269 G N 1.113 110.003 108.800 0.149 0.000 2.543 269 G HA2 0.561 4.520 3.960 -0.001 0.000 0.290 269 G HA3 0.561 4.520 3.960 -0.001 0.000 0.290 269 G C -2.817 172.220 174.900 0.228 0.000 1.310 269 G CA -0.970 44.218 45.100 0.148 0.000 1.025 269 G HN 0.069 nan 8.290 nan 0.000 0.502 270 P HA 0.233 nan 4.420 nan 0.000 0.276 270 P C -0.196 177.116 177.300 0.022 0.000 1.244 270 P CA -0.586 62.543 63.100 0.048 0.000 0.801 270 P CB 0.835 32.539 31.700 0.006 0.000 1.006 271 E N 0.418 120.620 120.200 0.004 0.000 2.442 271 E HA 0.094 4.443 4.350 -0.001 0.000 0.262 271 E C -0.266 176.308 176.600 -0.042 0.000 1.004 271 E CA 0.128 56.514 56.400 -0.023 0.000 0.928 271 E CB 0.318 29.997 29.700 -0.034 0.000 0.937 271 E HN 0.479 nan 8.360 nan 0.000 0.446 272 T N 2.006 116.531 114.554 -0.047 0.000 2.929 272 T HA 0.509 4.858 4.350 -0.001 0.000 0.284 272 T C -2.460 172.206 174.700 -0.056 0.000 1.014 272 T CA -2.005 60.057 62.100 -0.063 0.000 1.051 272 T CB 1.495 70.330 68.868 -0.055 0.000 1.028 272 T HN 0.229 nan 8.240 nan 0.000 0.485 273 P HA 0.198 nan 4.420 nan 0.000 0.269 273 P C 1.244 178.512 177.300 -0.053 0.000 1.209 273 P CA -0.533 62.536 63.100 -0.052 0.000 0.776 273 P CB 0.424 32.099 31.700 -0.041 0.000 0.876 274 L N 1.294 122.466 121.223 -0.084 0.000 2.211 274 L HA -0.249 4.090 4.340 -0.001 0.000 0.216 274 L C 2.156 179.036 176.870 0.016 0.000 1.092 274 L CA 2.034 56.807 54.840 -0.112 0.000 0.767 274 L CB -0.975 40.964 42.059 -0.201 0.000 0.894 274 L HN 0.635 nan 8.230 nan 0.000 0.437 275 G N 0.515 109.319 108.800 0.006 0.000 2.547 275 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.214 275 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.214 275 G C 0.446 175.358 174.900 0.021 0.000 1.254 275 G CA 0.296 45.411 45.100 0.026 0.000 0.817 275 G HN 0.548 nan 8.290 nan 0.000 0.551 276 E N 1.665 121.864 120.200 -0.001 0.000 2.044 276 E HA 0.491 4.841 4.350 -0.001 0.000 0.282 276 E C -2.762 173.834 176.600 -0.007 0.000 1.031 276 E CA -1.939 54.458 56.400 -0.006 0.000 0.824 276 E CB 1.606 31.295 29.700 -0.019 0.000 1.076 276 E HN 0.119 nan 8.360 nan 0.000 0.395 277 P HA 0.175 nan 4.420 nan 0.000 0.277 277 P C -1.076 176.230 177.300 0.010 0.000 1.240 277 P CA -0.615 62.490 63.100 0.008 0.000 0.798 277 P CB 0.792 32.495 31.700 0.006 0.000 0.979 278 K N 2.104 122.527 120.400 0.038 0.000 2.471 278 K HA 0.214 4.533 4.320 -0.001 0.000 0.252 278 K C -0.262 176.425 176.600 0.146 0.000 0.938 278 K CA -0.697 55.632 56.287 0.069 0.000 0.796 278 K CB 1.200 33.710 32.500 0.017 0.000 1.161 278 K HN 0.477 nan 8.250 nan 0.000 0.425 279 N N 2.932 121.693 118.700 0.103 0.000 2.292 279 N HA -0.127 4.612 4.740 -0.001 0.000 0.242 279 N C -0.264 175.316 175.510 0.117 0.000 1.243 279 N CA 1.356 54.450 53.050 0.074 0.000 0.851 279 N CB 0.409 38.922 38.487 0.044 0.000 1.093 279 N HN 0.735 nan 8.380 nan 0.000 0.450 280 K N -0.080 120.322 120.400 0.002 0.000 3.610 280 K HA -0.256 4.064 4.320 -0.001 0.000 0.283 280 K C -0.998 175.401 176.600 -0.336 0.000 1.210 280 K CA 1.297 57.490 56.287 -0.157 0.000 1.026 280 K CB -1.053 31.312 32.500 -0.225 0.000 1.295 280 K HN 0.553 nan 8.250 nan 0.000 0.468 281 Y N 0.025 120.324 120.300 -0.003 0.000 2.524 281 Y HA 0.380 4.930 4.550 -0.001 0.000 0.344 281 Y C 1.327 177.220 175.900 -0.012 0.000 1.012 281 Y CA -1.104 56.995 58.100 -0.001 0.000 1.068 281 Y CB 1.079 39.536 38.460 -0.004 0.000 1.249 281 Y HN -0.124 nan 8.280 nan 0.000 0.468 282 M N -0.446 119.243 119.600 0.148 0.000 7.319 282 M HA -0.393 4.086 4.480 -0.001 0.000 0.329 282 M C 1.157 177.464 176.300 0.012 0.000 0.480 282 M CA 1.570 56.903 55.300 0.055 0.000 1.311 282 M CB -1.471 31.148 32.600 0.032 0.000 0.421 282 M HN 0.850 nan 8.290 nan 0.000 0.888 283 E N 0.754 120.945 120.200 -0.016 0.000 2.515 283 E HA 0.105 4.455 4.350 -0.001 0.000 0.201 283 E C 1.331 177.919 176.600 -0.020 0.000 1.071 283 E CA 0.574 56.958 56.400 -0.028 0.000 0.880 283 E CB -0.226 29.455 29.700 -0.032 0.000 0.828 283 E HN 0.421 nan 8.360 nan 0.000 0.540 284 L N -0.604 120.616 121.223 -0.005 0.000 3.066 284 L HA 0.324 4.664 4.340 -0.001 0.000 0.265 284 L C 0.970 177.824 176.870 -0.027 0.000 1.232 284 L CA -0.600 54.227 54.840 -0.022 0.000 1.031 284 L CB 0.512 42.567 42.059 -0.006 0.000 1.379 284 L HN 0.081 nan 8.230 nan 0.000 0.563 285 G N 0.384 109.169 108.800 -0.025 0.000 2.588 285 G HA2 0.324 4.284 3.960 -0.001 0.000 0.278 285 G HA3 0.324 4.284 3.960 -0.001 0.000 0.278 285 G C -2.465 172.410 174.900 -0.042 0.000 1.307 285 G CA -0.938 44.134 45.100 -0.046 0.000 1.016 285 G HN -0.043 nan 8.290 nan 0.000 0.503 286 P HA -0.006 nan 4.420 nan 0.000 0.263 286 P C 1.002 178.282 177.300 -0.034 0.000 1.175 286 P CA -0.132 62.950 63.100 -0.030 0.000 0.761 286 P CB 0.686 32.376 31.700 -0.015 0.000 0.794 287 R N 2.972 123.445 120.500 -0.046 0.000 2.103 287 R HA -0.216 4.123 4.340 -0.001 0.000 0.234 287 R C 1.114 177.375 176.300 -0.065 0.000 1.132 287 R CA 2.226 58.283 56.100 -0.071 0.000 0.925 287 R CB -0.689 29.566 30.300 -0.075 0.000 0.842 287 R HN 0.476 nan 8.270 nan 0.000 0.430 288 D N 0.590 120.956 120.400 -0.056 0.000 2.133 288 D HA -0.187 4.452 4.640 -0.001 0.000 0.192 288 D C 1.921 178.172 176.300 -0.082 0.000 1.001 288 D CA 1.247 55.197 54.000 -0.083 0.000 0.844 288 D CB -0.180 40.578 40.800 -0.069 0.000 0.944 288 D HN 0.167 nan 8.370 nan 0.000 0.447 289 K N 0.544 120.927 120.400 -0.028 0.000 2.103 289 K HA -0.077 4.242 4.320 -0.001 0.000 0.207 289 K C 2.287 178.902 176.600 0.025 0.000 1.048 289 K CA 0.326 56.625 56.287 0.019 0.000 0.930 289 K CB -0.743 31.790 32.500 0.054 0.000 0.716 289 K HN 0.153 nan 8.250 nan 0.000 0.444 290 V N 1.277 121.200 119.914 0.015 0.000 2.358 290 V HA -0.179 3.940 4.120 -0.001 0.000 0.246 290 V C 2.256 178.383 176.094 0.055 0.000 1.047 290 V CA 1.774 64.105 62.300 0.052 0.000 1.035 290 V CB -0.421 31.413 31.823 0.020 0.000 0.658 290 V HN 0.240 nan 8.190 nan 0.000 0.452 291 S N -0.555 115.132 115.700 -0.022 0.000 2.383 291 S HA -0.238 4.231 4.470 -0.001 0.000 0.227 291 S C 1.970 176.543 174.600 -0.046 0.000 1.026 291 S CA 1.383 59.557 58.200 -0.043 0.000 0.981 291 S CB -0.267 62.860 63.200 -0.122 0.000 0.818 291 S HN 0.659 nan 8.310 nan 0.000 0.472 292 Q N 0.969 120.681 119.800 -0.146 0.000 2.079 292 Q HA 0.034 4.374 4.340 -0.001 0.000 0.200 292 Q C 2.540 178.449 176.000 -0.151 0.000 0.974 292 Q CA 1.210 56.866 55.803 -0.245 0.000 0.840 292 Q CB -0.414 28.166 28.738 -0.263 0.000 0.898 292 Q HN 0.586 nan 8.270 nan 0.000 0.430 293 A N 0.766 123.529 122.820 -0.095 0.000 1.948 293 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 293 A C 1.855 179.336 177.584 -0.172 0.000 1.177 293 A CA 1.365 53.221 52.037 -0.302 0.000 0.636 293 A CB -0.842 18.093 19.000 -0.109 0.000 0.815 293 A HN 0.481 nan 8.150 nan 0.000 0.449 294 F N -1.199 118.684 119.950 -0.112 0.000 2.069 294 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 294 F C 1.993 177.797 175.800 0.006 0.000 1.113 294 F CA 2.046 59.992 58.000 -0.090 0.000 1.214 294 F CB -0.615 38.373 39.000 -0.019 0.000 0.978 294 F HN 0.445 nan 8.300 nan 0.000 0.474 295 W N 1.145 122.413 121.300 -0.052 0.000 2.315 295 W HA -0.292 4.367 4.660 -0.001 0.000 0.323 295 W C 2.901 179.406 176.519 -0.024 0.000 1.233 295 W CA 2.724 60.043 57.345 -0.044 0.000 1.267 295 W CB -0.914 28.536 29.460 -0.018 0.000 1.160 295 W HN 0.118 nan 8.180 nan 0.000 0.474 296 H N -0.093 119.156 119.070 0.298 0.000 2.353 296 H HA -0.167 4.389 4.556 -0.001 0.000 0.298 296 H C 2.023 177.335 175.328 -0.027 0.000 1.103 296 H CA 1.932 58.068 56.048 0.147 0.000 1.293 296 H CB -0.819 28.993 29.762 0.084 0.000 1.372 296 H HN 0.222 nan 8.280 nan 0.000 0.501 297 E N -0.182 119.981 120.200 -0.062 0.000 2.150 297 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 297 E C 2.194 178.649 176.600 -0.242 0.000 0.985 297 E CA 0.329 56.615 56.400 -0.191 0.000 0.814 297 E CB -0.442 28.958 29.700 -0.499 0.000 0.752 297 E HN 0.539 nan 8.360 nan 0.000 0.466 298 W N 2.113 123.099 121.300 -0.522 0.000 2.381 298 W HA -0.138 4.522 4.660 -0.000 0.000 0.301 298 W C 2.021 178.297 176.519 -0.405 0.000 1.205 298 W CA 1.191 58.212 57.345 -0.539 0.000 1.285 298 W CB 0.029 29.074 29.460 -0.692 0.000 1.133 298 W HN -0.105 nan 8.180 nan 0.000 0.521 299 R N 0.695 120.899 120.500 -0.493 0.000 2.081 299 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 299 R C 1.905 177.939 176.300 -0.443 0.000 1.131 299 R CA 1.663 57.404 56.100 -0.599 0.000 0.960 299 R CB -0.955 29.133 30.300 -0.353 0.000 0.856 299 R HN 0.322 nan 8.270 nan 0.000 0.436 300 K N -0.637 119.602 120.400 -0.268 0.000 2.439 300 K HA 0.025 4.344 4.320 -0.001 0.000 0.197 300 K C 0.827 177.289 176.600 -0.229 0.000 1.041 300 K CA 0.726 56.901 56.287 -0.187 0.000 0.970 300 K CB 0.161 32.614 32.500 -0.078 0.000 0.773 300 K HN 0.388 nan 8.250 nan 0.000 0.479 301 G N 1.953 110.552 108.800 -0.335 0.000 2.149 301 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.235 301 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.235 301 G C 0.131 174.920 174.900 -0.185 0.000 1.018 301 G CA 0.045 44.962 45.100 -0.305 0.000 0.728 301 G HN 0.247 nan 8.290 nan 0.000 0.508 302 N N 0.369 118.969 118.700 -0.166 0.000 2.280 302 N HA 0.113 4.852 4.740 -0.001 0.000 0.192 302 N C 1.177 176.640 175.510 -0.079 0.000 1.109 302 N CA 1.002 54.002 53.050 -0.083 0.000 0.855 302 N CB 0.448 38.912 38.487 -0.038 0.000 0.974 302 N HN 0.786 nan 8.380 nan 0.000 0.482 303 T N -0.936 113.544 114.554 -0.123 0.000 2.909 303 T HA 0.512 4.862 4.350 -0.001 0.000 0.289 303 T C 0.452 175.129 174.700 -0.038 0.000 1.005 303 T CA -0.701 61.347 62.100 -0.088 0.000 1.084 303 T CB 1.223 70.042 68.868 -0.082 0.000 0.975 303 T HN -0.169 nan 8.240 nan 0.000 0.509 304 I N 2.375 122.915 120.570 -0.050 0.000 2.529 304 I HA 0.254 4.424 4.170 -0.001 0.000 0.284 304 I C 0.961 177.065 176.117 -0.022 0.000 1.082 304 I CA 0.240 61.513 61.300 -0.045 0.000 1.406 304 I CB 1.054 38.966 38.000 -0.145 0.000 1.405 304 I HN 0.664 nan 8.210 nan 0.000 0.548 305 S N 3.728 119.433 115.700 0.008 0.000 2.499 305 S HA 0.673 5.142 4.470 -0.001 0.000 0.279 305 S C -0.228 174.387 174.600 0.025 0.000 1.219 305 S CA -0.211 58.004 58.200 0.025 0.000 1.062 305 S CB 0.165 63.381 63.200 0.027 0.000 0.978 305 S HN 0.717 nan 8.310 nan 0.000 0.489 306 T N 5.679 120.248 114.554 0.025 0.000 2.883 306 T HA 0.378 4.728 4.350 -0.001 0.000 0.301 306 T C -2.057 172.659 174.700 0.026 0.000 1.158 306 T CA -0.948 61.168 62.100 0.026 0.000 1.007 306 T CB 1.709 70.585 68.868 0.015 0.000 1.186 306 T HN 0.195 nan 8.240 nan 0.000 0.499 307 P HA -0.029 nan 4.420 nan 0.000 0.214 307 P C 1.261 178.574 177.300 0.023 0.000 1.163 307 P CA 1.054 64.172 63.100 0.030 0.000 0.883 307 P CB 0.135 31.855 31.700 0.034 0.000 0.788 308 R N -0.801 119.709 120.500 0.015 0.000 2.341 308 R HA 0.194 4.533 4.340 -0.001 0.000 0.213 308 R C 1.070 177.338 176.300 -0.053 0.000 1.082 308 R CA 0.721 56.819 56.100 -0.005 0.000 1.017 308 R CB -0.811 29.487 30.300 -0.003 0.000 0.860 308 R HN 0.270 nan 8.270 nan 0.000 0.473 309 G N 0.729 109.513 108.800 -0.026 0.000 2.353 309 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.615 309 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.615 309 G C -1.738 173.164 174.900 0.004 0.000 1.280 309 G CA -0.951 44.129 45.100 -0.033 0.000 1.000 309 G HN 0.090 nan 8.290 nan 0.000 0.516 310 D N -0.300 120.126 120.400 0.044 0.000 2.341 310 D HA 0.584 5.223 4.640 -0.001 0.000 0.245 310 D C 0.963 177.356 176.300 0.154 0.000 1.106 310 D CA 0.958 55.020 54.000 0.103 0.000 0.905 310 D CB 1.713 42.626 40.800 0.188 0.000 1.202 310 D HN 1.327 nan 8.370 nan 0.000 0.426 311 V N -1.459 118.526 119.914 0.119 0.000 3.130 311 V HA 0.836 4.955 4.120 -0.001 0.000 0.308 311 V C -0.791 175.376 176.094 0.121 0.000 1.413 311 V CA -0.933 61.466 62.300 0.165 0.000 1.053 311 V CB 1.465 33.261 31.823 -0.045 0.000 1.075 311 V HN 0.383 nan 8.190 nan 0.000 0.465 312 V N -2.367 117.626 119.914 0.133 0.000 3.141 312 V HA 0.757 4.877 4.120 -0.001 0.000 0.312 312 V C -1.351 174.748 176.094 0.008 0.000 1.157 312 V CA -0.848 61.527 62.300 0.125 0.000 1.041 312 V CB 1.815 33.877 31.823 0.398 0.000 1.071 312 V HN 0.948 nan 8.190 nan 0.000 0.441 313 Y N 1.110 121.537 120.300 0.212 0.000 2.361 313 Y HA 0.747 5.296 4.550 -0.001 0.000 0.332 313 Y C -0.131 175.842 175.900 0.122 0.000 1.101 313 Y CA -1.046 57.140 58.100 0.144 0.000 1.137 313 Y CB 1.907 40.438 38.460 0.118 0.000 1.207 313 Y HN 0.664 nan 8.280 nan 0.000 0.463 314 L N 4.377 125.779 121.223 0.298 0.000 2.321 314 L HA 0.404 4.744 4.340 -0.001 0.000 0.272 314 L C -0.892 176.063 176.870 0.143 0.000 1.050 314 L CA -0.416 54.529 54.840 0.175 0.000 0.893 314 L CB -0.032 42.105 42.059 0.130 0.000 1.272 314 L HN 0.496 nan 8.230 nan 0.000 0.435 315 D N 3.500 123.981 120.400 0.136 0.000 2.317 315 D HA 0.259 4.899 4.640 -0.001 0.000 0.252 315 D C 0.542 176.915 176.300 0.121 0.000 1.174 315 D CA 0.194 54.263 54.000 0.115 0.000 0.866 315 D CB 0.925 41.798 40.800 0.121 0.000 1.127 315 D HN 0.604 nan 8.370 nan 0.000 0.467 316 L N 3.694 124.928 121.223 0.018 0.000 2.966 316 L HA 0.229 4.568 4.340 -0.001 0.000 0.262 316 L C 2.183 178.916 176.870 -0.228 0.000 1.165 316 L CA -0.390 54.367 54.840 -0.139 0.000 0.978 316 L CB 0.167 42.175 42.059 -0.084 0.000 1.337 316 L HN 0.273 nan 8.230 nan 0.000 0.563 317 R N 0.764 121.223 120.500 -0.069 0.000 2.133 317 R HA -0.202 4.137 4.340 -0.001 0.000 0.245 317 R C 1.284 177.538 176.300 -0.077 0.000 1.137 317 R CA 1.845 57.917 56.100 -0.046 0.000 0.947 317 R CB -0.983 29.334 30.300 0.028 0.000 0.865 317 R HN 0.554 nan 8.270 nan 0.000 0.437 318 H N 0.735 119.791 119.070 -0.023 0.000 4.196 318 H HA 0.051 4.606 4.556 -0.001 0.000 0.236 318 H C 1.043 176.361 175.328 -0.017 0.000 1.023 318 H CA 0.453 56.489 56.048 -0.020 0.000 1.251 318 H CB -0.457 29.294 29.762 -0.018 0.000 1.343 318 H HN 0.291 nan 8.280 nan 0.000 0.815 319 L N -0.315 120.778 121.223 -0.216 0.000 2.694 319 L HA 0.335 4.675 4.340 -0.001 0.000 0.228 319 L C 0.767 177.591 176.870 -0.076 0.000 1.048 319 L CA 0.378 55.120 54.840 -0.163 0.000 0.887 319 L CB 0.479 42.427 42.059 -0.185 0.000 1.265 319 L HN 0.610 nan 8.230 nan 0.000 0.492 320 G N 0.824 109.579 108.800 -0.076 0.000 3.067 320 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.686 320 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.686 320 G C 0.155 175.013 174.900 -0.069 0.000 1.119 320 G CA -0.387 44.680 45.100 -0.056 0.000 0.790 320 G HN 0.083 nan 8.290 nan 0.000 0.605 321 E N 1.056 121.200 120.200 -0.094 0.000 2.110 321 E HA -0.300 4.049 4.350 -0.001 0.000 0.225 321 E C 2.539 179.108 176.600 -0.051 0.000 1.063 321 E CA 2.199 58.516 56.400 -0.138 0.000 0.906 321 E CB -0.128 29.490 29.700 -0.136 0.000 0.795 321 E HN 0.730 nan 8.360 nan 0.000 0.479 322 K N 0.460 120.852 120.400 -0.012 0.000 2.071 322 K HA -0.262 4.057 4.320 -0.001 0.000 0.217 322 K C 2.294 178.913 176.600 0.031 0.000 1.054 322 K CA 1.859 58.160 56.287 0.023 0.000 0.937 322 K CB -0.277 32.234 32.500 0.018 0.000 0.719 322 K HN 0.041 nan 8.250 nan 0.000 0.454 323 K N 1.065 121.471 120.400 0.009 0.000 2.025 323 K HA -0.090 4.229 4.320 -0.001 0.000 0.207 323 K C 2.229 178.843 176.600 0.023 0.000 1.049 323 K CA 0.915 57.210 56.287 0.014 0.000 0.933 323 K CB -0.053 32.442 32.500 -0.009 0.000 0.714 323 K HN 0.046 nan 8.250 nan 0.000 0.438 324 L N -0.186 121.033 121.223 -0.007 0.000 1.956 324 L HA -0.269 4.071 4.340 -0.001 0.000 0.216 324 L C 2.480 179.417 176.870 0.112 0.000 1.073 324 L CA 1.869 56.709 54.840 -0.000 0.000 0.762 324 L CB -0.575 41.425 42.059 -0.099 0.000 0.889 324 L HN 0.414 nan 8.230 nan 0.000 0.433 325 H N -1.737 117.336 119.070 0.006 0.000 2.384 325 H HA -0.118 4.437 4.556 -0.001 0.000 0.300 325 H C 2.154 177.495 175.328 0.022 0.000 1.057 325 H CA 0.995 57.050 56.048 0.013 0.000 1.370 325 H CB 0.500 30.267 29.762 0.008 0.000 1.417 325 H HN 0.353 nan 8.280 nan 0.000 0.527 326 E N 0.547 120.840 120.200 0.155 0.000 2.086 326 E HA -0.102 4.247 4.350 -0.001 0.000 0.190 326 E C 2.092 178.741 176.600 0.082 0.000 0.975 326 E CA 0.220 56.677 56.400 0.094 0.000 0.813 326 E CB 0.402 30.146 29.700 0.074 0.000 0.768 326 E HN 0.196 nan 8.360 nan 0.000 0.457 327 R N 0.262 120.811 120.500 0.082 0.000 2.055 327 R HA 0.099 4.438 4.340 -0.001 0.000 0.226 327 R C 1.044 177.403 176.300 0.098 0.000 1.135 327 R CA 0.713 56.864 56.100 0.084 0.000 0.959 327 R CB -0.356 29.985 30.300 0.069 0.000 0.854 327 R HN 0.221 nan 8.270 nan 0.000 0.431 328 L N 2.444 123.725 121.223 0.097 0.000 2.589 328 L HA 0.229 4.568 4.340 -0.001 0.000 0.244 328 L C -1.779 175.163 176.870 0.121 0.000 1.159 328 L CA -1.455 53.452 54.840 0.112 0.000 1.074 328 L CB 1.027 43.142 42.059 0.093 0.000 1.391 328 L HN -0.089 nan 8.230 nan 0.000 0.423 329 P HA -0.223 nan 4.420 nan 0.000 0.210 329 P C 1.582 178.979 177.300 0.161 0.000 1.185 329 P CA 1.120 64.283 63.100 0.105 0.000 0.924 329 P CB 0.124 31.871 31.700 0.078 0.000 0.786 330 F N 0.295 120.241 119.950 -0.005 0.000 2.024 330 F HA -0.266 4.260 4.527 -0.001 0.000 0.296 330 F C 2.208 178.013 175.800 0.009 0.000 1.137 330 F CA 1.330 59.323 58.000 -0.010 0.000 1.200 330 F CB -1.340 37.656 39.000 -0.008 0.000 0.954 330 F HN -0.209 nan 8.300 nan 0.000 0.497 331 I N -0.043 120.558 120.570 0.051 0.000 2.074 331 I HA -0.434 3.736 4.170 -0.001 0.000 0.238 331 I C 2.971 179.062 176.117 -0.043 0.000 1.037 331 I CA 1.798 63.062 61.300 -0.059 0.000 1.301 331 I CB -1.923 36.087 38.000 0.016 0.000 1.016 331 I HN 0.345 nan 8.210 nan 0.000 0.400 332 C N 0.515 119.832 119.300 0.029 0.000 2.398 332 C HA -0.205 4.255 4.460 -0.001 0.000 0.279 332 C C 2.743 177.729 174.990 -0.006 0.000 1.250 332 C CA 1.214 60.262 59.018 0.050 0.000 1.786 332 C CB -1.069 26.754 27.740 0.137 0.000 2.018 332 C HN 0.486 nan 8.230 nan 0.000 0.494 333 E N -0.420 119.761 120.200 -0.032 0.000 2.051 333 E HA -0.091 4.258 4.350 -0.001 0.000 0.189 333 E C 2.181 178.677 176.600 -0.174 0.000 0.979 333 E CA 0.792 57.149 56.400 -0.073 0.000 0.803 333 E CB -0.190 29.519 29.700 0.016 0.000 0.761 333 E HN 0.604 nan 8.360 nan 0.000 0.451 334 L N 0.912 121.979 121.223 -0.261 0.000 1.971 334 L HA -0.284 4.055 4.340 -0.001 0.000 0.215 334 L C 2.678 179.466 176.870 -0.138 0.000 1.072 334 L CA 1.447 56.125 54.840 -0.270 0.000 0.758 334 L CB -0.634 41.232 42.059 -0.323 0.000 0.889 334 L HN 0.170 nan 8.230 nan 0.000 0.433 335 A N -0.103 122.672 122.820 -0.074 0.000 1.892 335 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 335 A C 2.296 179.863 177.584 -0.027 0.000 1.188 335 A CA 2.144 54.172 52.037 -0.015 0.000 0.631 335 A CB -0.505 18.498 19.000 0.005 0.000 0.822 335 A HN 0.379 nan 8.150 nan 0.000 0.447 336 K N -0.566 119.803 120.400 -0.052 0.000 2.009 336 K HA -0.115 4.204 4.320 -0.001 0.000 0.210 336 K C 2.397 178.934 176.600 -0.105 0.000 1.049 336 K CA 1.307 57.563 56.287 -0.052 0.000 0.929 336 K CB -0.399 32.071 32.500 -0.051 0.000 0.714 336 K HN 0.458 nan 8.250 nan 0.000 0.440 337 A N 0.639 123.324 122.820 -0.225 0.000 1.873 337 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 337 A C 1.837 179.197 177.584 -0.373 0.000 1.186 337 A CA 1.255 53.064 52.037 -0.380 0.000 0.616 337 A CB -0.706 17.894 19.000 -0.668 0.000 0.823 337 A HN 0.371 nan 8.150 nan 0.000 0.442 338 Y N -1.050 119.239 120.300 -0.019 0.000 2.500 338 Y HA 0.160 4.710 4.550 -0.001 0.000 0.270 338 Y C 1.546 177.447 175.900 0.001 0.000 1.134 338 Y CA 0.490 58.584 58.100 -0.011 0.000 1.293 338 Y CB 0.694 39.138 38.460 -0.026 0.000 1.063 338 Y HN 0.236 nan 8.280 nan 0.000 0.534 339 V N -4.888 115.095 119.914 0.114 0.000 3.392 339 V HA 0.511 4.630 4.120 -0.001 0.000 0.294 339 V C 0.862 176.994 176.094 0.063 0.000 1.561 339 V CA -0.137 62.218 62.300 0.093 0.000 1.056 339 V CB 0.195 32.074 31.823 0.092 0.000 0.882 339 V HN 0.174 nan 8.190 nan 0.000 0.440 340 G N 0.958 109.779 108.800 0.034 0.000 2.331 340 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.254 340 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.254 340 G C -0.510 174.409 174.900 0.031 0.000 0.879 340 G CA 0.580 45.692 45.100 0.019 0.000 1.287 340 G HN 1.244 nan 8.290 nan 0.000 0.383 341 V N 2.760 122.689 119.914 0.026 0.000 2.823 341 V HA 0.292 4.411 4.120 -0.001 0.000 0.296 341 V C -0.793 175.320 176.094 0.032 0.000 1.250 341 V CA -1.124 61.197 62.300 0.034 0.000 0.939 341 V CB 2.096 33.951 31.823 0.053 0.000 1.062 341 V HN 0.633 nan 8.190 nan 0.000 0.433 342 D N 6.134 126.554 120.400 0.033 0.000 2.339 342 D HA 0.331 4.971 4.640 -0.001 0.000 0.241 342 D C -1.893 174.422 176.300 0.024 0.000 1.183 342 D CA -1.753 52.277 54.000 0.050 0.000 0.859 342 D CB 2.400 43.234 40.800 0.057 0.000 1.067 342 D HN 0.214 nan 8.370 nan 0.000 0.484 343 P HA -0.072 nan 4.420 nan 0.000 0.236 343 P C 0.936 178.212 177.300 -0.040 0.000 1.172 343 P CA 0.448 63.550 63.100 0.004 0.000 0.759 343 P CB 0.478 32.191 31.700 0.022 0.000 0.843 344 V N -1.201 118.672 119.914 -0.069 0.000 3.523 344 V HA 0.091 4.210 4.120 -0.001 0.000 0.255 344 V C 2.001 178.047 176.094 -0.081 0.000 1.226 344 V CA 1.030 63.254 62.300 -0.126 0.000 1.092 344 V CB -0.227 31.434 31.823 -0.270 0.000 0.817 344 V HN 0.092 nan 8.190 nan 0.000 0.458 345 K N -0.109 120.260 120.400 -0.051 0.000 2.399 345 K HA 0.254 4.573 4.320 -0.001 0.000 0.196 345 K C 0.301 176.880 176.600 -0.035 0.000 1.103 345 K CA 0.365 56.631 56.287 -0.036 0.000 0.986 345 K CB 0.879 33.367 32.500 -0.022 0.000 0.952 345 K HN 0.502 nan 8.250 nan 0.000 0.541 346 E N 0.132 120.311 120.200 -0.034 0.000 2.449 346 E HA 0.333 4.682 4.350 -0.001 0.000 0.278 346 E C -2.858 173.710 176.600 -0.053 0.000 0.992 346 E CA -2.440 53.927 56.400 -0.054 0.000 0.807 346 E CB 2.383 32.056 29.700 -0.045 0.000 1.350 346 E HN -0.081 nan 8.360 nan 0.000 0.462 347 P HA 0.316 nan 4.420 nan 0.000 0.286 347 P C -0.817 176.522 177.300 0.064 0.000 1.261 347 P CA -0.364 62.690 63.100 -0.077 0.000 0.821 347 P CB 0.659 32.175 31.700 -0.307 0.000 1.013 348 I N 3.966 124.632 120.570 0.161 0.000 2.342 348 I HA 0.278 4.448 4.170 -0.001 0.000 0.291 348 I C -1.966 174.332 176.117 0.301 0.000 1.010 348 I CA -2.469 58.948 61.300 0.196 0.000 1.308 348 I CB 1.244 39.314 38.000 0.115 0.000 1.400 348 I HN 0.142 nan 8.210 nan 0.000 0.488 349 P HA 0.218 nan 4.420 nan 0.000 0.281 349 P C -0.844 176.488 177.300 0.052 0.000 1.252 349 P CA -0.045 63.125 63.100 0.116 0.000 0.778 349 P CB 1.489 33.234 31.700 0.076 0.000 0.895 350 V N 1.059 120.984 119.914 0.018 0.000 3.232 350 V HA 0.885 5.004 4.120 -0.001 0.000 0.303 350 V C -0.957 175.086 176.094 -0.086 0.000 1.311 350 V CA -1.124 61.165 62.300 -0.017 0.000 1.061 350 V CB 2.533 34.368 31.823 0.020 0.000 1.085 350 V HN 0.834 nan 8.190 nan 0.000 0.447 351 R N -0.122 120.242 120.500 -0.228 0.000 2.728 351 R HA 0.663 5.003 4.340 -0.001 0.000 0.274 351 R C -3.421 172.585 176.300 -0.490 0.000 1.030 351 R CA -1.733 53.994 56.100 -0.622 0.000 0.876 351 R CB 1.188 31.077 30.300 -0.684 0.000 1.259 351 R HN 0.492 nan 8.270 nan 0.000 0.468 352 P HA 0.175 nan 4.420 nan 0.000 0.269 352 P C -0.974 176.304 177.300 -0.036 0.000 1.209 352 P CA 0.214 63.186 63.100 -0.213 0.000 0.776 352 P CB 0.790 32.377 31.700 -0.189 0.000 0.876 353 T N 0.915 115.496 114.554 0.045 0.000 2.933 353 T HA 0.574 4.924 4.350 -0.001 0.000 0.305 353 T C -0.650 173.785 174.700 -0.442 0.000 1.092 353 T CA -0.540 61.495 62.100 -0.109 0.000 1.008 353 T CB 1.565 70.385 68.868 -0.081 0.000 1.102 353 T HN 0.331 nan 8.240 nan 0.000 0.469 354 A N 1.401 123.713 122.820 -0.846 0.000 2.524 354 A HA 0.395 4.714 4.320 -0.001 0.000 0.250 354 A C 0.477 177.811 177.584 -0.415 0.000 1.078 354 A CA 0.548 51.902 52.037 -1.139 0.000 0.761 354 A CB -0.201 18.082 19.000 -1.196 0.000 1.012 354 A HN 1.106 nan 8.150 nan 0.000 0.500 355 H N 1.248 120.097 119.070 -0.369 0.000 2.176 355 H HA 0.301 4.857 4.556 -0.000 0.000 0.228 355 H C -0.789 174.555 175.328 0.027 0.000 0.879 355 H CA 0.707 56.693 56.048 -0.103 0.000 1.027 355 H CB 0.230 30.011 29.762 0.031 0.000 1.356 355 H HN 0.667 nan 8.280 nan 0.000 0.425 356 Y N 0.640 120.787 120.300 -0.256 0.000 2.499 356 Y HA 0.481 5.031 4.550 -0.000 0.000 0.347 356 Y C -0.879 174.932 175.900 -0.147 0.000 0.987 356 Y CA -0.905 57.028 58.100 -0.278 0.000 1.044 356 Y CB 2.120 40.435 38.460 -0.242 0.000 1.245 356 Y HN 0.035 nan 8.280 nan 0.000 0.461 357 T N 7.129 121.232 114.554 -0.751 0.000 3.016 357 T HA 0.137 4.486 4.350 -0.001 0.000 0.335 357 T C 1.009 175.365 174.700 -0.574 0.000 1.176 357 T CA -0.380 61.411 62.100 -0.515 0.000 0.987 357 T CB 0.297 68.924 68.868 -0.401 0.000 1.073 357 T HN 0.718 nan 8.240 nan 0.000 0.547 358 M N 2.142 121.659 119.600 -0.138 0.000 2.073 358 M HA 0.045 4.524 4.480 -0.001 0.000 0.258 358 M C 1.899 178.206 176.300 0.012 0.000 1.070 358 M CA 1.303 56.642 55.300 0.065 0.000 1.103 358 M CB -0.823 31.915 32.600 0.231 0.000 1.321 358 M HN 0.691 nan 8.290 nan 0.000 0.405 359 G N -1.236 107.576 108.800 0.020 0.000 2.661 359 G HA2 0.414 4.373 3.960 -0.001 0.000 0.272 359 G HA3 0.414 4.373 3.960 -0.001 0.000 0.272 359 G C 0.133 174.977 174.900 -0.094 0.000 1.296 359 G CA -0.040 45.052 45.100 -0.014 0.000 0.998 359 G HN 0.803 nan 8.290 nan 0.000 0.553 360 G N -2.220 106.519 108.800 -0.101 0.000 2.353 360 G HA2 0.314 4.273 3.960 -0.001 0.000 0.308 360 G HA3 0.314 4.273 3.960 -0.001 0.000 0.308 360 G C -0.426 174.393 174.900 -0.135 0.000 1.418 360 G CA -0.664 44.361 45.100 -0.125 0.000 0.966 360 G HN 0.866 nan 8.290 nan 0.000 0.638 361 I N 0.996 121.483 120.570 -0.137 0.000 3.015 361 I HA -0.047 4.122 4.170 -0.001 0.000 0.309 361 I C 1.245 177.268 176.117 -0.157 0.000 1.229 361 I CA 0.561 61.773 61.300 -0.147 0.000 1.430 361 I CB 0.398 38.321 38.000 -0.128 0.000 1.347 361 I HN 0.627 nan 8.210 nan 0.000 0.544 362 E N 6.645 126.736 120.200 -0.182 0.000 2.415 362 E HA 0.089 4.438 4.350 -0.001 0.000 0.263 362 E C -0.395 176.110 176.600 -0.158 0.000 0.995 362 E CA -0.079 56.210 56.400 -0.184 0.000 0.915 362 E CB 0.651 30.230 29.700 -0.201 0.000 0.951 362 E HN 0.706 nan 8.360 nan 0.000 0.449 363 T N 1.264 115.727 114.554 -0.152 0.000 2.896 363 T HA 0.320 4.669 4.350 -0.001 0.000 0.297 363 T C -0.458 174.176 174.700 -0.109 0.000 1.108 363 T CA -1.029 60.996 62.100 -0.125 0.000 1.004 363 T CB 1.458 70.269 68.868 -0.095 0.000 1.159 363 T HN 0.502 nan 8.240 nan 0.000 0.499 364 D N 0.577 120.926 120.400 -0.086 0.000 2.478 364 D HA 0.197 4.837 4.640 -0.001 0.000 0.274 364 D C 1.042 177.318 176.300 -0.039 0.000 1.234 364 D CA -0.574 53.389 54.000 -0.061 0.000 1.069 364 D CB 0.199 40.965 40.800 -0.057 0.000 1.113 364 D HN 0.539 nan 8.370 nan 0.000 0.571 365 Q N -1.258 118.526 119.800 -0.028 0.000 2.500 365 Q HA 0.030 4.369 4.340 -0.001 0.000 0.213 365 Q C 0.432 176.411 176.000 -0.035 0.000 0.974 365 Q CA 1.005 56.794 55.803 -0.024 0.000 0.918 365 Q CB -0.482 28.234 28.738 -0.037 0.000 0.980 365 Q HN 0.456 nan 8.270 nan 0.000 0.505 366 N N -1.408 117.291 118.700 -0.001 0.000 2.214 366 N HA 0.165 4.904 4.740 -0.001 0.000 0.214 366 N C -0.789 174.828 175.510 0.178 0.000 1.132 366 N CA -0.082 52.996 53.050 0.046 0.000 0.856 366 N CB 0.727 39.254 38.487 0.067 0.000 1.020 366 N HN 0.093 nan 8.380 nan 0.000 0.509 367 C N 0.976 120.356 119.300 0.133 0.000 4.507 367 C HA -0.163 4.296 4.460 -0.001 0.000 0.285 367 C C 0.541 175.664 174.990 0.222 0.000 1.335 367 C CA 0.305 59.429 59.018 0.176 0.000 1.953 367 C CB -2.634 25.252 27.740 0.243 0.000 1.262 367 C HN 0.562 nan 8.230 nan 0.000 0.776 368 E N 0.587 120.782 120.200 -0.008 0.000 2.214 368 E HA 0.583 4.932 4.350 -0.001 0.000 0.274 368 E C 0.762 177.187 176.600 -0.291 0.000 0.977 368 E CA 0.305 56.450 56.400 -0.426 0.000 0.827 368 E CB 1.399 30.748 29.700 -0.585 0.000 1.130 368 E HN 0.545 nan 8.360 nan 0.000 0.394 369 T N 0.380 114.726 114.554 -0.346 0.000 2.893 369 T HA 0.331 4.681 4.350 -0.001 0.000 0.279 369 T C 0.994 175.568 174.700 -0.211 0.000 0.991 369 T CA -0.588 61.375 62.100 -0.229 0.000 0.950 369 T CB 0.903 69.647 68.868 -0.207 0.000 1.223 369 T HN 0.521 nan 8.240 nan 0.000 0.585 370 R N -0.550 119.863 120.500 -0.145 0.000 2.285 370 R HA 0.220 4.560 4.340 -0.001 0.000 0.213 370 R C 0.235 176.465 176.300 -0.116 0.000 1.068 370 R CA 0.532 56.570 56.100 -0.103 0.000 1.004 370 R CB -0.466 29.809 30.300 -0.041 0.000 0.873 370 R HN 0.556 nan 8.270 nan 0.000 0.467 371 I N 1.983 122.458 120.570 -0.159 0.000 2.304 371 I HA 0.078 4.248 4.170 -0.001 0.000 0.291 371 I C 0.115 176.057 176.117 -0.291 0.000 1.018 371 I CA -0.879 60.317 61.300 -0.173 0.000 1.260 371 I CB 1.205 39.114 38.000 -0.153 0.000 1.390 371 I HN -0.205 nan 8.210 nan 0.000 0.475 372 K N 4.490 124.710 120.400 -0.299 0.000 2.524 372 K HA 0.124 4.443 4.320 -0.001 0.000 0.279 372 K C 1.071 177.227 176.600 -0.741 0.000 0.993 372 K CA 1.428 57.452 56.287 -0.439 0.000 1.030 372 K CB 0.155 32.474 32.500 -0.302 0.000 0.891 372 K HN 0.822 nan 8.250 nan 0.000 0.488 373 G N 2.488 110.919 108.800 -0.614 0.000 2.212 373 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.266 373 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.266 373 G C -0.368 174.387 174.900 -0.241 0.000 0.978 373 G CA 0.385 45.254 45.100 -0.386 0.000 0.632 373 G HN 0.554 nan 8.290 nan 0.000 0.537 374 L N 1.165 122.137 121.223 -0.418 0.000 2.265 374 L HA 0.844 5.184 4.340 -0.001 0.000 0.289 374 L C -0.541 176.113 176.870 -0.360 0.000 1.033 374 L CA -1.197 53.497 54.840 -0.244 0.000 0.814 374 L CB 0.348 42.270 42.059 -0.228 0.000 1.203 374 L HN 0.021 nan 8.230 nan 0.000 0.423 375 F N 3.586 123.475 119.950 -0.102 0.000 2.598 375 F HA 0.883 5.407 4.527 -0.004 0.000 0.327 375 F C 0.255 176.004 175.800 -0.084 0.000 1.057 375 F CA -0.496 57.453 58.000 -0.085 0.000 0.957 375 F CB 1.899 40.861 39.000 -0.064 0.000 1.278 375 F HN 0.559 nan 8.300 nan 0.000 0.484 376 A N 0.986 123.882 122.820 0.127 0.000 2.449 376 A HA 0.833 5.153 4.320 -0.001 0.000 0.302 376 A C -1.815 175.790 177.584 0.035 0.000 1.048 376 A CA -0.826 51.229 52.037 0.030 0.000 0.708 376 A CB 1.892 20.867 19.000 -0.041 0.000 1.274 376 A HN 0.800 nan 8.150 nan 0.000 0.410 377 V N 1.282 121.206 119.914 0.017 0.000 3.000 377 V HA 0.817 4.936 4.120 -0.001 0.000 0.300 377 V C 0.088 176.197 176.094 0.024 0.000 1.251 377 V CA 1.227 63.546 62.300 0.033 0.000 0.972 377 V CB 1.612 33.480 31.823 0.076 0.000 1.065 377 V HN 2.914 nan 8.190 nan 0.000 0.431 378 G N 4.163 112.982 108.800 0.032 0.000 2.566 378 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.599 378 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.599 378 G C 0.364 175.279 174.900 0.025 0.000 1.292 378 G CA 0.430 45.563 45.100 0.055 0.000 0.922 378 G HN 1.296 nan 8.290 nan 0.000 0.514 379 E N -0.834 119.391 120.200 0.040 0.000 2.187 379 E HA -0.246 4.103 4.350 -0.001 0.000 0.199 379 E C 2.580 179.096 176.600 -0.141 0.000 1.004 379 E CA 2.580 58.946 56.400 -0.056 0.000 0.813 379 E CB -0.407 29.237 29.700 -0.094 0.000 0.736 379 E HN 1.027 nan 8.360 nan 0.000 0.468 380 C N 0.388 119.627 119.300 -0.102 0.000 2.491 380 C HA 0.117 4.576 4.460 -0.001 0.000 0.277 380 C C 1.742 176.663 174.990 -0.114 0.000 1.455 380 C CA -0.071 58.875 59.018 -0.121 0.000 1.758 380 C CB -1.410 26.265 27.740 -0.109 0.000 1.745 380 C HN 0.331 nan 8.230 nan 0.000 0.558 381 S N 0.237 115.879 115.700 -0.098 0.000 2.623 381 S HA 0.634 5.104 4.470 -0.001 0.000 0.287 381 S C -0.062 174.467 174.600 -0.119 0.000 1.123 381 S CA 0.185 58.321 58.200 -0.106 0.000 1.016 381 S CB 1.002 64.146 63.200 -0.094 0.000 1.233 381 S HN 0.736 nan 8.310 nan 0.000 0.512 382 S N 0.053 115.664 115.700 -0.148 0.000 2.689 382 S HA 0.219 4.689 4.470 -0.001 0.000 0.151 382 S C 0.214 174.677 174.600 -0.228 0.000 1.155 382 S CA -0.181 57.919 58.200 -0.168 0.000 1.144 382 S CB -0.256 62.847 63.200 -0.161 0.000 1.526 382 S HN 1.213 nan 8.310 nan 0.000 0.419 383 V N 1.051 120.782 119.914 -0.306 0.000 2.970 383 V HA 0.409 4.528 4.120 -0.001 0.000 0.260 383 V C 1.574 177.489 176.094 -0.298 0.000 1.100 383 V CA 1.055 63.145 62.300 -0.349 0.000 1.122 383 V CB -1.135 30.290 31.823 -0.664 0.000 0.721 383 V HN 1.617 nan 8.190 nan 0.000 0.483 384 G N 0.400 109.019 108.800 -0.300 0.000 2.207 384 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.216 384 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.216 384 G C 0.068 174.812 174.900 -0.260 0.000 1.053 384 G CA 0.277 45.242 45.100 -0.224 0.000 0.764 384 G HN 0.604 nan 8.290 nan 0.000 0.495 385 L N -0.802 120.146 121.223 -0.458 0.000 2.316 385 L HA 0.415 4.754 4.340 -0.001 0.000 0.207 385 L C 2.050 178.553 176.870 -0.611 0.000 1.070 385 L CA 1.717 56.175 54.840 -0.636 0.000 0.820 385 L CB -0.163 41.260 42.059 -1.061 0.000 0.992 385 L HN 0.357 nan 8.230 nan 0.000 0.466 386 H N -0.646 118.308 119.070 -0.193 0.000 2.592 386 H HA 0.395 4.951 4.556 -0.001 0.000 0.265 386 H C 1.494 176.730 175.328 -0.155 0.000 0.955 386 H CA 0.456 56.413 56.048 -0.152 0.000 1.175 386 H CB -0.061 29.667 29.762 -0.057 0.000 1.433 386 H HN 0.375 nan 8.280 nan 0.000 0.537 387 G N 1.400 110.163 108.800 -0.062 0.000 2.651 387 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.315 387 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.315 387 G C 1.040 175.739 174.900 -0.335 0.000 1.258 387 G CA 1.195 46.215 45.100 -0.132 0.000 1.002 387 G HN 0.589 nan 8.290 nan 0.000 0.551 388 A N 0.132 122.627 122.820 -0.542 0.000 2.415 388 A HA 0.566 4.885 4.320 -0.001 0.000 0.248 388 A C 0.676 178.047 177.584 -0.355 0.000 1.299 388 A CA 1.095 52.498 52.037 -1.056 0.000 0.899 388 A CB -0.243 18.075 19.000 -1.138 0.000 0.997 388 A HN 1.157 nan 8.150 nan 0.000 0.506 389 N N -0.249 118.363 118.700 -0.146 0.000 4.296 389 N HA 0.034 4.774 4.740 -0.001 0.000 0.183 389 N C -1.033 174.473 175.510 -0.008 0.000 1.159 389 N CA -0.319 52.719 53.050 -0.020 0.000 0.980 389 N CB 0.815 39.291 38.487 -0.018 0.000 1.621 389 N HN 0.492 nan 8.380 nan 0.000 0.861 390 R N 1.807 122.303 120.500 -0.006 0.000 2.643 390 R HA 0.256 4.595 4.340 -0.001 0.000 0.270 390 R C -0.446 175.818 176.300 -0.059 0.000 1.061 390 R CA -0.191 55.851 56.100 -0.097 0.000 1.107 390 R CB 0.550 30.542 30.300 -0.513 0.000 0.999 390 R HN 0.422 nan 8.270 nan 0.000 0.460 391 L N 2.905 124.131 121.223 0.005 0.000 2.312 391 L HA 0.354 4.694 4.340 -0.001 0.000 0.281 391 L C 0.184 177.087 176.870 0.056 0.000 1.070 391 L CA 0.312 55.181 54.840 0.049 0.000 0.805 391 L CB 1.492 43.617 42.059 0.109 0.000 1.174 391 L HN 0.800 nan 8.230 nan 0.000 0.434 392 G N 2.578 111.436 108.800 0.097 0.000 2.272 392 G HA2 0.365 4.324 3.960 -0.001 0.000 0.247 392 G HA3 0.365 4.324 3.960 -0.001 0.000 0.247 392 G C 0.614 175.615 174.900 0.168 0.000 1.272 392 G CA 0.532 45.723 45.100 0.152 0.000 0.921 392 G HN 1.647 nan 8.290 nan 0.000 0.495 393 S N 0.639 116.393 115.700 0.090 0.000 2.931 393 S HA -0.230 4.240 4.470 -0.001 0.000 0.271 393 S C 1.113 175.804 174.600 0.152 0.000 1.309 393 S CA 0.969 59.205 58.200 0.059 0.000 1.181 393 S CB -1.806 61.401 63.200 0.011 0.000 1.435 393 S HN 0.614 nan 8.310 nan 0.000 0.670 394 N N 1.244 120.048 118.700 0.173 0.000 2.405 394 N HA 0.256 4.996 4.740 -0.001 0.000 0.175 394 N C 1.595 177.251 175.510 0.243 0.000 1.051 394 N CA 1.085 54.317 53.050 0.304 0.000 0.899 394 N CB 0.026 38.674 38.487 0.268 0.000 1.000 394 N HN 0.619 nan 8.380 nan 0.000 0.451 395 S N 0.002 115.740 115.700 0.064 0.000 2.371 395 S HA 0.107 4.577 4.470 -0.001 0.000 0.224 395 S C 1.806 176.498 174.600 0.153 0.000 1.029 395 S CA 0.582 58.804 58.200 0.036 0.000 0.978 395 S CB -0.130 62.943 63.200 -0.211 0.000 0.833 395 S HN 0.213 nan 8.310 nan 0.000 0.466 396 L N 1.144 122.454 121.223 0.146 0.000 2.056 396 L HA -0.030 4.309 4.340 -0.001 0.000 0.207 396 L C 2.999 180.005 176.870 0.227 0.000 1.078 396 L CA 1.159 56.103 54.840 0.174 0.000 0.749 396 L CB -0.782 41.377 42.059 0.165 0.000 0.901 396 L HN 0.418 nan 8.230 nan 0.000 0.433 397 A N 0.120 123.102 122.820 0.270 0.000 1.873 397 A HA -0.315 4.004 4.320 -0.001 0.000 0.218 397 A C 2.235 180.096 177.584 0.462 0.000 1.193 397 A CA 2.148 54.380 52.037 0.325 0.000 0.629 397 A CB -0.738 18.526 19.000 0.440 0.000 0.826 397 A HN 0.511 nan 8.150 nan 0.000 0.447 398 E N 0.073 120.597 120.200 0.540 0.000 2.065 398 E HA -0.250 4.100 4.350 -0.001 0.000 0.201 398 E C 1.946 178.802 176.600 0.427 0.000 1.016 398 E CA 1.692 58.410 56.400 0.531 0.000 0.818 398 E CB -0.392 29.458 29.700 0.250 0.000 0.749 398 E HN 0.613 nan 8.360 nan 0.000 0.453 399 L N 0.555 121.953 121.223 0.292 0.000 2.054 399 L HA -0.279 4.061 4.340 -0.001 0.000 0.220 399 L C 2.814 179.813 176.870 0.215 0.000 1.081 399 L CA 2.094 57.069 54.840 0.224 0.000 0.780 399 L CB -1.126 41.039 42.059 0.177 0.000 0.893 399 L HN 0.309 nan 8.230 nan 0.000 0.438 400 V N -4.657 115.384 119.914 0.211 0.000 2.725 400 V HA -0.032 4.088 4.120 -0.001 0.000 0.247 400 V C 2.275 178.448 176.094 0.131 0.000 1.058 400 V CA 0.749 63.151 62.300 0.171 0.000 1.080 400 V CB -0.204 31.715 31.823 0.160 0.000 0.713 400 V HN 0.156 nan 8.190 nan 0.000 0.465 401 V N 0.206 120.212 119.914 0.154 0.000 2.244 401 V HA -0.146 3.973 4.120 -0.001 0.000 0.244 401 V C 2.419 178.463 176.094 -0.083 0.000 1.042 401 V CA 2.505 64.813 62.300 0.013 0.000 1.006 401 V CB -0.887 30.968 31.823 0.053 0.000 0.641 401 V HN 0.490 nan 8.190 nan 0.000 0.446 402 F N 1.148 121.204 119.950 0.175 0.000 2.456 402 F HA 0.167 4.692 4.527 -0.002 0.000 0.298 402 F C 2.319 178.155 175.800 0.059 0.000 1.104 402 F CA 0.949 59.021 58.000 0.121 0.000 1.435 402 F CB -1.036 38.020 39.000 0.093 0.000 1.078 402 F HN 0.178 nan 8.300 nan 0.000 0.546 403 G N -0.098 108.824 108.800 0.204 0.000 2.408 403 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.217 403 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.217 403 G C 1.884 176.814 174.900 0.049 0.000 1.150 403 G CA 0.406 45.573 45.100 0.112 0.000 0.776 403 G HN 0.192 nan 8.290 nan 0.000 0.542 404 R N -0.371 120.159 120.500 0.050 0.000 2.073 404 R HA -0.012 4.327 4.340 -0.001 0.000 0.234 404 R C 2.480 178.766 176.300 -0.023 0.000 1.134 404 R CA 1.351 57.462 56.100 0.017 0.000 0.952 404 R CB -0.458 29.856 30.300 0.024 0.000 0.850 404 R HN 0.364 nan 8.270 nan 0.000 0.433 405 L N 0.979 122.186 121.223 -0.027 0.000 1.970 405 L HA -0.115 4.224 4.340 -0.001 0.000 0.212 405 L C 2.405 179.225 176.870 -0.083 0.000 1.071 405 L CA 2.331 57.138 54.840 -0.055 0.000 0.751 405 L CB -0.897 41.114 42.059 -0.081 0.000 0.889 405 L HN 0.241 nan 8.230 nan 0.000 0.432 406 A N -0.548 122.241 122.820 -0.051 0.000 1.927 406 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 406 A C 2.329 179.732 177.584 -0.302 0.000 1.185 406 A CA 1.994 53.934 52.037 -0.163 0.000 0.639 406 A CB -1.711 17.254 19.000 -0.058 0.000 0.820 406 A HN 0.594 nan 8.150 nan 0.000 0.451 407 G N -0.880 107.814 108.800 -0.176 0.000 2.421 407 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.216 407 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.216 407 G C 1.459 176.245 174.900 -0.190 0.000 1.171 407 G CA 1.007 45.998 45.100 -0.182 0.000 0.775 407 G HN 0.650 nan 8.290 nan 0.000 0.543 408 E N -0.117 119.998 120.200 -0.143 0.000 2.047 408 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 408 E C 2.815 179.333 176.600 -0.137 0.000 0.987 408 E CA 0.904 57.238 56.400 -0.110 0.000 0.799 408 E CB -0.020 29.641 29.700 -0.066 0.000 0.752 408 E HN 0.263 nan 8.360 nan 0.000 0.449 409 Q N 0.130 119.818 119.800 -0.186 0.000 2.050 409 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 409 Q C 2.258 178.085 176.000 -0.289 0.000 0.980 409 Q CA 1.423 57.125 55.803 -0.168 0.000 0.840 409 Q CB -0.481 28.203 28.738 -0.090 0.000 0.898 409 Q HN 0.263 nan 8.270 nan 0.000 0.424 410 A N 0.572 122.969 122.820 -0.706 0.000 1.908 410 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 410 A C 2.390 179.855 177.584 -0.199 0.000 1.181 410 A CA 2.090 53.714 52.037 -0.688 0.000 0.627 410 A CB -0.979 17.569 19.000 -0.753 0.000 0.818 410 A HN 0.391 nan 8.150 nan 0.000 0.445 411 T N -0.224 114.230 114.554 -0.168 0.000 2.665 411 T HA -0.188 4.161 4.350 -0.001 0.000 0.268 411 T C 1.813 176.499 174.700 -0.024 0.000 1.035 411 T CA 1.833 63.887 62.100 -0.076 0.000 1.151 411 T CB -0.285 68.540 68.868 -0.072 0.000 0.862 411 T HN 0.659 nan 8.240 nan 0.000 0.438 412 E N 0.185 120.375 120.200 -0.017 0.000 2.051 412 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 412 E C 2.489 179.126 176.600 0.063 0.000 0.991 412 E CA 0.914 57.327 56.400 0.022 0.000 0.799 412 E CB -0.102 29.613 29.700 0.025 0.000 0.748 412 E HN 0.103 nan 8.360 nan 0.000 0.449 413 R N 0.244 120.810 120.500 0.110 0.000 2.193 413 R HA -0.064 4.275 4.340 -0.001 0.000 0.229 413 R C 1.650 178.048 176.300 0.163 0.000 1.110 413 R CA 1.164 57.370 56.100 0.177 0.000 0.988 413 R CB -0.105 30.398 30.300 0.337 0.000 0.871 413 R HN 0.137 nan 8.270 nan 0.000 0.458 414 A N -1.177 121.710 122.820 0.111 0.000 2.147 414 A HA 0.304 4.623 4.320 -0.001 0.000 0.211 414 A C 1.960 179.581 177.584 0.061 0.000 1.160 414 A CA 0.697 52.792 52.037 0.097 0.000 0.781 414 A CB -0.099 18.941 19.000 0.066 0.000 0.842 414 A HN 0.331 nan 8.150 nan 0.000 0.475 415 A N -0.123 122.726 122.820 0.048 0.000 1.975 415 A HA 0.055 4.374 4.320 -0.001 0.000 0.215 415 A C 2.018 179.621 177.584 0.031 0.000 1.170 415 A CA 1.882 53.938 52.037 0.032 0.000 0.656 415 A CB -0.691 18.323 19.000 0.023 0.000 0.821 415 A HN 0.701 nan 8.150 nan 0.000 0.449 416 T N -3.775 110.806 114.554 0.044 0.000 3.243 416 T HA 0.581 4.930 4.350 -0.001 0.000 0.264 416 T C 1.173 175.898 174.700 0.042 0.000 1.000 416 T CA 0.647 62.769 62.100 0.038 0.000 0.901 416 T CB 0.410 69.303 68.868 0.042 0.000 1.083 416 T HN 0.350 nan 8.240 nan 0.000 0.559 417 A N 1.311 124.155 122.820 0.041 0.000 1.930 417 A HA 0.603 4.923 4.320 -0.001 0.000 0.215 417 A C 1.688 179.222 177.584 -0.084 0.000 1.176 417 A CA 0.658 52.700 52.037 0.009 0.000 0.632 417 A CB -1.122 17.886 19.000 0.014 0.000 0.819 417 A HN 1.608 nan 8.150 nan 0.000 0.445 418 G N -0.999 107.766 108.800 -0.058 0.000 2.796 418 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.571 418 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.571 418 G C -0.622 174.218 174.900 -0.100 0.000 1.370 418 G CA -0.193 44.867 45.100 -0.067 0.000 0.856 418 G HN 0.569 nan 8.290 nan 0.000 0.538 419 N N -0.040 118.613 118.700 -0.078 0.000 2.482 419 N HA 0.683 5.423 4.740 -0.001 0.000 0.279 419 N C 0.581 176.038 175.510 -0.088 0.000 1.182 419 N CA 0.389 53.394 53.050 -0.076 0.000 0.969 419 N CB 1.664 40.125 38.487 -0.043 0.000 1.201 419 N HN 1.106 nan 8.380 nan 0.000 0.523 420 G N -0.378 108.378 108.800 -0.073 0.000 2.788 420 G HA2 0.096 4.056 3.960 -0.001 0.000 0.293 420 G HA3 0.096 4.056 3.960 -0.001 0.000 0.293 420 G C -0.499 174.383 174.900 -0.030 0.000 1.305 420 G CA -0.497 44.567 45.100 -0.059 0.000 1.005 420 G HN 0.502 nan 8.290 nan 0.000 0.496 421 N N 0.340 119.029 118.700 -0.018 0.000 2.400 421 N HA -0.031 4.709 4.740 -0.001 0.000 0.278 421 N C 1.148 176.656 175.510 -0.004 0.000 1.247 421 N CA -0.074 52.971 53.050 -0.009 0.000 0.970 421 N CB 1.266 39.751 38.487 -0.003 0.000 1.312 421 N HN 0.599 nan 8.380 nan 0.000 0.488 422 E N 4.085 124.282 120.200 -0.006 0.000 2.114 422 E HA -0.206 4.144 4.350 -0.001 0.000 0.199 422 E C 1.529 178.130 176.600 0.002 0.000 1.008 422 E CA 2.023 58.422 56.400 -0.002 0.000 0.810 422 E CB -0.189 29.509 29.700 -0.004 0.000 0.739 422 E HN 0.679 nan 8.360 nan 0.000 0.456 423 A N 0.162 122.983 122.820 0.001 0.000 2.015 423 A HA 0.038 4.358 4.320 -0.001 0.000 0.219 423 A C 2.331 179.919 177.584 0.007 0.000 1.163 423 A CA 1.852 53.891 52.037 0.004 0.000 0.646 423 A CB -0.725 18.276 19.000 0.002 0.000 0.806 423 A HN 0.391 nan 8.150 nan 0.000 0.448 424 A N 0.258 123.083 122.820 0.009 0.000 1.840 424 A HA 0.019 4.339 4.320 -0.001 0.000 0.214 424 A C 2.061 179.656 177.584 0.020 0.000 1.198 424 A CA 1.284 53.330 52.037 0.014 0.000 0.608 424 A CB -0.635 18.373 19.000 0.015 0.000 0.839 424 A HN 0.441 nan 8.150 nan 0.000 0.443 425 I N -0.338 120.243 120.570 0.018 0.000 2.151 425 I HA -0.298 3.872 4.170 -0.001 0.000 0.243 425 I C 2.533 178.664 176.117 0.023 0.000 1.080 425 I CA 2.038 63.352 61.300 0.023 0.000 1.339 425 I CB -0.393 37.617 38.000 0.018 0.000 1.039 425 I HN 0.411 nan 8.210 nan 0.000 0.409 426 E N 1.247 121.457 120.200 0.017 0.000 2.204 426 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 426 E C 2.049 178.659 176.600 0.018 0.000 0.990 426 E CA 1.422 57.832 56.400 0.016 0.000 0.821 426 E CB -0.110 29.596 29.700 0.010 0.000 0.750 426 E HN 0.463 nan 8.360 nan 0.000 0.477 427 A N 0.163 122.993 122.820 0.018 0.000 1.968 427 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 427 A C 2.074 179.672 177.584 0.024 0.000 1.169 427 A CA 1.104 53.151 52.037 0.017 0.000 0.638 427 A CB -0.332 18.677 19.000 0.015 0.000 0.812 427 A HN 0.206 nan 8.150 nan 0.000 0.446 428 Q N -0.346 119.473 119.800 0.033 0.000 2.016 428 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 428 Q C 2.550 178.577 176.000 0.046 0.000 0.978 428 Q CA 1.612 57.443 55.803 0.047 0.000 0.833 428 Q CB -0.689 28.085 28.738 0.062 0.000 0.895 428 Q HN 0.623 nan 8.270 nan 0.000 0.427 429 A N 1.408 124.252 122.820 0.040 0.000 1.873 429 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 429 A C 2.365 179.968 177.584 0.032 0.000 1.193 429 A CA 2.463 54.523 52.037 0.038 0.000 0.629 429 A CB -0.951 18.069 19.000 0.033 0.000 0.826 429 A HN 0.418 nan 8.150 nan 0.000 0.447 430 A N -0.770 122.065 122.820 0.024 0.000 1.948 430 A HA 0.049 4.368 4.320 -0.001 0.000 0.220 430 A C 2.411 180.006 177.584 0.018 0.000 1.177 430 A CA 2.148 54.196 52.037 0.018 0.000 0.636 430 A CB -1.399 17.609 19.000 0.013 0.000 0.815 430 A HN 0.833 nan 8.150 nan 0.000 0.449 431 G N -0.704 108.109 108.800 0.022 0.000 2.402 431 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.216 431 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.216 431 G C 1.502 176.416 174.900 0.023 0.000 1.162 431 G CA 1.158 46.270 45.100 0.020 0.000 0.777 431 G HN 0.325 nan 8.290 nan 0.000 0.539 432 V N 0.679 120.614 119.914 0.035 0.000 2.261 432 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 432 V C 2.554 178.664 176.094 0.027 0.000 1.047 432 V CA 2.345 64.670 62.300 0.042 0.000 1.015 432 V CB -0.554 31.303 31.823 0.057 0.000 0.642 432 V HN 0.549 nan 8.190 nan 0.000 0.446 433 E N -0.172 120.042 120.200 0.022 0.000 2.033 433 E HA -0.365 3.984 4.350 -0.001 0.000 0.199 433 E C 2.284 178.886 176.600 0.003 0.000 1.011 433 E CA 2.066 58.472 56.400 0.011 0.000 0.815 433 E CB -0.160 29.547 29.700 0.012 0.000 0.755 433 E HN 0.567 nan 8.360 nan 0.000 0.451 434 Q N 0.864 120.666 119.800 0.004 0.000 2.045 434 Q HA -0.200 4.139 4.340 -0.001 0.000 0.206 434 Q C 2.115 178.113 176.000 -0.004 0.000 0.991 434 Q CA 2.031 57.833 55.803 -0.001 0.000 0.851 434 Q CB -0.219 28.520 28.738 0.001 0.000 0.911 434 Q HN 0.166 nan 8.270 nan 0.000 0.418 435 R N -0.738 119.763 120.500 0.002 0.000 2.096 435 R HA -0.175 4.165 4.340 -0.001 0.000 0.240 435 R C 2.258 178.555 176.300 -0.005 0.000 1.139 435 R CA 1.496 57.597 56.100 0.002 0.000 0.952 435 R CB -0.579 29.727 30.300 0.010 0.000 0.854 435 R HN 0.361 nan 8.270 nan 0.000 0.436 436 L N 1.582 122.800 121.223 -0.007 0.000 2.012 436 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 436 L C 1.778 178.626 176.870 -0.036 0.000 1.073 436 L CA 1.898 56.723 54.840 -0.025 0.000 0.748 436 L CB -0.313 41.729 42.059 -0.028 0.000 0.891 436 L HN 0.030 nan 8.230 nan 0.000 0.431 437 K N -0.540 119.842 120.400 -0.029 0.000 2.063 437 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 437 K C 1.806 178.385 176.600 -0.034 0.000 1.048 437 K CA 1.595 57.863 56.287 -0.033 0.000 0.928 437 K CB -0.382 32.103 32.500 -0.024 0.000 0.713 437 K HN 0.428 nan 8.250 nan 0.000 0.442 438 D N 1.162 121.547 120.400 -0.026 0.000 2.104 438 D HA -0.181 4.458 4.640 -0.001 0.000 0.194 438 D C 1.896 178.174 176.300 -0.036 0.000 0.994 438 D CA 0.883 54.868 54.000 -0.025 0.000 0.830 438 D CB -0.290 40.502 40.800 -0.014 0.000 0.959 438 D HN 0.038 nan 8.370 nan 0.000 0.452 439 L N 0.702 121.902 121.223 -0.038 0.000 2.046 439 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 439 L C 2.252 179.072 176.870 -0.084 0.000 1.077 439 L CA 1.272 56.077 54.840 -0.057 0.000 0.747 439 L CB -0.350 41.682 42.059 -0.045 0.000 0.896 439 L HN -0.123 nan 8.230 nan 0.000 0.432 440 V N 0.291 120.159 119.914 -0.077 0.000 2.343 440 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 440 V C 2.124 178.174 176.094 -0.073 0.000 1.051 440 V CA 2.013 64.262 62.300 -0.084 0.000 1.036 440 V CB -0.927 30.849 31.823 -0.078 0.000 0.654 440 V HN 0.543 nan 8.190 nan 0.000 0.451 441 N N -0.082 118.583 118.700 -0.058 0.000 2.494 441 N HA -0.047 4.693 4.740 -0.001 0.000 0.182 441 N C 1.080 176.559 175.510 -0.052 0.000 1.076 441 N CA 0.173 53.194 53.050 -0.049 0.000 0.908 441 N CB -0.161 38.303 38.487 -0.038 0.000 0.967 441 N HN 0.651 nan 8.380 nan 0.000 0.449 442 Q N 1.809 121.571 119.800 -0.063 0.000 2.286 442 Q HA -0.010 4.329 4.340 -0.001 0.000 0.290 442 Q C -0.896 175.060 176.000 -0.073 0.000 1.049 442 Q CA 0.284 56.045 55.803 -0.070 0.000 0.923 442 Q CB 0.366 29.047 28.738 -0.096 0.000 1.183 442 Q HN 0.297 nan 8.270 nan 0.000 0.383 443 D N 1.662 122.027 120.400 -0.059 0.000 2.477 443 D HA 0.714 5.353 4.640 -0.001 0.000 0.234 443 D C 0.226 176.496 176.300 -0.051 0.000 1.048 443 D CA -0.275 53.693 54.000 -0.053 0.000 0.959 443 D CB 1.745 42.522 40.800 -0.039 0.000 1.408 443 D HN 0.523 nan 8.370 nan 0.000 0.496 444 G N -1.243 107.530 108.800 -0.044 0.000 4.111 444 G HA2 0.354 4.313 3.960 -0.001 0.000 0.216 444 G HA3 0.354 4.313 3.960 -0.001 0.000 0.216 444 G C 1.008 175.891 174.900 -0.030 0.000 0.822 444 G CA 0.143 45.221 45.100 -0.038 0.000 0.845 444 G HN 1.621 nan 8.290 nan 0.000 0.533 445 G N 0.088 108.871 108.800 -0.029 0.000 2.160 445 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.251 445 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.251 445 G C -0.077 174.815 174.900 -0.014 0.000 1.008 445 G CA 0.691 45.781 45.100 -0.018 0.000 0.724 445 G HN 0.562 nan 8.290 nan 0.000 0.514 446 E N 0.256 120.443 120.200 -0.022 0.000 2.197 446 E HA 0.241 4.591 4.350 -0.001 0.000 0.281 446 E C -0.001 176.603 176.600 0.006 0.000 0.995 446 E CA -0.789 55.602 56.400 -0.015 0.000 0.808 446 E CB 0.982 30.667 29.700 -0.025 0.000 1.093 446 E HN 0.240 nan 8.360 nan 0.000 0.394 447 N N 4.296 123.001 118.700 0.008 0.000 2.420 447 N HA -0.032 4.707 4.740 -0.001 0.000 0.262 447 N C 1.252 176.773 175.510 0.019 0.000 1.144 447 N CA -0.290 52.774 53.050 0.023 0.000 0.952 447 N CB 0.340 38.806 38.487 -0.036 0.000 1.081 447 N HN 0.590 nan 8.380 nan 0.000 0.480 448 W N 4.606 125.896 121.300 -0.017 0.000 2.338 448 W HA -0.188 4.473 4.660 0.001 0.000 0.304 448 W C 1.041 177.584 176.519 0.040 0.000 1.212 448 W CA 1.279 58.635 57.345 0.018 0.000 1.264 448 W CB -1.406 28.074 29.460 0.035 0.000 1.142 448 W HN 0.554 nan 8.180 nan 0.000 0.512 449 A N 2.036 124.020 122.820 -1.394 0.000 1.917 449 A HA -0.251 4.069 4.320 -0.001 0.000 0.219 449 A C 2.076 179.307 177.584 -0.589 0.000 1.182 449 A CA 2.540 53.771 52.037 -1.343 0.000 0.633 449 A CB -0.712 17.707 19.000 -0.969 0.000 0.819 449 A HN 0.188 nan 8.150 nan 0.000 0.448 450 K N -0.276 119.920 120.400 -0.339 0.000 2.155 450 K HA 0.064 4.383 4.320 -0.001 0.000 0.203 450 K C 1.804 178.319 176.600 -0.142 0.000 1.052 450 K CA 1.002 57.172 56.287 -0.196 0.000 0.948 450 K CB -0.580 31.847 32.500 -0.122 0.000 0.728 450 K HN 0.645 nan 8.250 nan 0.000 0.448 451 I N 0.839 121.349 120.570 -0.100 0.000 2.179 451 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 451 I C 2.791 178.880 176.117 -0.048 0.000 1.088 451 I CA 1.033 62.324 61.300 -0.016 0.000 1.357 451 I CB -0.282 37.782 38.000 0.107 0.000 1.051 451 I HN 0.180 nan 8.210 nan 0.000 0.409 452 R N 1.275 121.714 120.500 -0.103 0.000 2.094 452 R HA -0.237 4.102 4.340 -0.001 0.000 0.239 452 R C 1.839 178.050 176.300 -0.148 0.000 1.137 452 R CA 2.408 58.437 56.100 -0.117 0.000 0.943 452 R CB -0.355 29.783 30.300 -0.270 0.000 0.850 452 R HN 0.328 nan 8.270 nan 0.000 0.433 453 D N 0.312 120.596 120.400 -0.193 0.000 2.144 453 D HA -0.157 4.483 4.640 -0.001 0.000 0.199 453 D C 1.805 178.029 176.300 -0.126 0.000 0.984 453 D CA 1.329 55.229 54.000 -0.167 0.000 0.834 453 D CB -0.188 40.513 40.800 -0.165 0.000 0.955 453 D HN 0.496 nan 8.370 nan 0.000 0.465 454 E N 0.152 120.292 120.200 -0.100 0.000 2.106 454 E HA -0.104 4.245 4.350 -0.001 0.000 0.192 454 E C 2.104 178.655 176.600 -0.081 0.000 0.984 454 E CA 0.277 56.632 56.400 -0.076 0.000 0.806 454 E CB -0.092 29.576 29.700 -0.053 0.000 0.750 454 E HN 0.217 nan 8.360 nan 0.000 0.458 455 M N 0.520 120.070 119.600 -0.083 0.000 2.082 455 M HA -0.158 4.321 4.480 -0.001 0.000 0.258 455 M C 2.195 178.411 176.300 -0.141 0.000 1.069 455 M CA 2.182 57.422 55.300 -0.099 0.000 1.102 455 M CB -0.312 32.239 32.600 -0.082 0.000 1.336 455 M HN 0.164 nan 8.290 nan 0.000 0.404 456 G N 0.432 109.148 108.800 -0.141 0.000 2.418 456 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 456 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 456 G C 1.415 176.231 174.900 -0.139 0.000 1.158 456 G CA 0.823 45.826 45.100 -0.161 0.000 0.771 456 G HN 0.478 nan 8.290 nan 0.000 0.545 457 L N 0.615 121.770 121.223 -0.113 0.000 2.131 457 L HA -0.051 4.288 4.340 -0.001 0.000 0.210 457 L C 3.379 180.221 176.870 -0.046 0.000 1.092 457 L CA 0.834 55.637 54.840 -0.062 0.000 0.759 457 L CB -0.355 41.677 42.059 -0.045 0.000 0.903 457 L HN 0.326 nan 8.230 nan 0.000 0.435 458 A N -0.226 122.547 122.820 -0.079 0.000 1.855 458 A HA -0.208 4.111 4.320 -0.001 0.000 0.215 458 A C 2.278 179.797 177.584 -0.108 0.000 1.191 458 A CA 1.467 53.456 52.037 -0.079 0.000 0.613 458 A CB -0.361 18.583 19.000 -0.094 0.000 0.829 458 A HN 0.234 nan 8.150 nan 0.000 0.442 459 M N -0.721 118.750 119.600 -0.215 0.000 2.159 459 M HA -0.116 4.364 4.480 -0.001 0.000 0.263 459 M C 1.931 178.154 176.300 -0.128 0.000 1.063 459 M CA 1.812 56.878 55.300 -0.390 0.000 1.110 459 M CB -1.307 30.722 32.600 -0.952 0.000 1.374 459 M HN 0.565 nan 8.290 nan 0.000 0.411 460 E N 0.411 120.626 120.200 0.024 0.000 2.150 460 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 460 E C 1.924 178.631 176.600 0.179 0.000 0.985 460 E CA 1.466 58.013 56.400 0.243 0.000 0.814 460 E CB 0.023 29.858 29.700 0.224 0.000 0.752 460 E HN 0.599 nan 8.360 nan 0.000 0.466 461 E N -1.546 118.708 120.200 0.090 0.000 2.075 461 E HA -0.006 4.344 4.350 -0.001 0.000 0.190 461 E C 1.934 178.571 176.600 0.062 0.000 0.969 461 E CA 0.782 57.228 56.400 0.077 0.000 0.815 461 E CB -0.229 29.502 29.700 0.052 0.000 0.776 461 E HN 0.300 nan 8.360 nan 0.000 0.457 462 G N -0.037 108.778 108.800 0.027 0.000 2.426 462 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.214 462 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.214 462 G C 0.872 175.787 174.900 0.025 0.000 1.156 462 G CA 0.530 45.637 45.100 0.011 0.000 0.802 462 G HN 0.327 nan 8.290 nan 0.000 0.534 463 C N 1.914 121.247 119.300 0.054 0.000 2.626 463 C HA 0.657 5.117 4.460 -0.001 0.000 0.356 463 C C 1.405 176.553 174.990 0.265 0.000 1.398 463 C CA -0.997 58.098 59.018 0.129 0.000 1.678 463 C CB -0.722 27.087 27.740 0.115 0.000 2.430 463 C HN 0.417 nan 8.230 nan 0.000 0.561 464 G N 0.259 109.130 108.800 0.118 0.000 2.782 464 G HA2 0.484 4.444 3.960 -0.001 0.000 0.201 464 G HA3 0.484 4.444 3.960 -0.001 0.000 0.201 464 G C 0.947 175.642 174.900 -0.341 0.000 1.374 464 G CA -0.442 44.647 45.100 -0.019 0.000 1.039 464 G HN 0.292 nan 8.290 nan 0.000 0.576 465 I N -1.022 119.168 120.570 -0.634 0.000 2.208 465 I HA -0.065 4.104 4.170 -0.001 0.000 0.245 465 I C 0.276 175.981 176.117 -0.685 0.000 1.097 465 I CA 1.243 62.108 61.300 -0.726 0.000 1.363 465 I CB -0.136 37.420 38.000 -0.741 0.000 1.051 465 I HN 0.158 nan 8.210 nan 0.000 0.413 466 Y N 0.135 120.118 120.300 -0.528 0.000 2.376 466 Y HA 0.500 5.049 4.550 -0.001 0.000 0.340 466 Y C 0.004 175.685 175.900 -0.366 0.000 0.965 466 Y CA -1.023 56.738 58.100 -0.566 0.000 1.078 466 Y CB 1.379 39.224 38.460 -1.025 0.000 1.193 466 Y HN -0.119 nan 8.280 nan 0.000 0.452 467 R N 1.129 121.566 120.500 -0.105 0.000 2.711 467 R HA 0.647 4.986 4.340 -0.001 0.000 0.284 467 R C -0.974 175.279 176.300 -0.078 0.000 0.968 467 R CA -0.882 55.163 56.100 -0.091 0.000 0.924 467 R CB 2.026 32.258 30.300 -0.113 0.000 1.162 467 R HN 0.661 nan 8.270 nan 0.000 0.465 468 T N -1.805 112.728 114.554 -0.034 0.000 2.893 468 T HA 0.331 4.680 4.350 -0.001 0.000 0.293 468 T C -2.004 172.692 174.700 -0.005 0.000 1.027 468 T CA -1.983 60.105 62.100 -0.020 0.000 0.988 468 T CB 2.164 71.035 68.868 0.005 0.000 1.043 468 T HN 0.295 nan 8.240 nan 0.000 0.461 469 P HA -0.200 nan 4.420 nan 0.000 0.216 469 P C 1.229 178.534 177.300 0.008 0.000 1.150 469 P CA 1.175 64.279 63.100 0.007 0.000 0.843 469 P CB 0.366 32.073 31.700 0.011 0.000 0.787 470 E N 0.079 120.286 120.200 0.012 0.000 2.023 470 E HA -0.166 4.184 4.350 -0.001 0.000 0.196 470 E C 2.203 178.811 176.600 0.013 0.000 1.003 470 E CA 1.261 57.671 56.400 0.016 0.000 0.809 470 E CB -0.420 29.294 29.700 0.023 0.000 0.755 470 E HN 0.210 nan 8.360 nan 0.000 0.449 471 L N 0.038 121.272 121.223 0.018 0.000 2.217 471 L HA -0.118 4.222 4.340 -0.001 0.000 0.211 471 L C 2.673 179.543 176.870 -0.001 0.000 1.107 471 L CA 0.466 55.316 54.840 0.017 0.000 0.783 471 L CB -0.265 41.816 42.059 0.037 0.000 0.919 471 L HN 0.239 nan 8.230 nan 0.000 0.442 472 M N -0.601 118.995 119.600 -0.007 0.000 2.064 472 M HA -0.236 4.243 4.480 -0.001 0.000 0.260 472 M C 2.413 178.683 176.300 -0.050 0.000 1.073 472 M CA 1.743 57.027 55.300 -0.027 0.000 1.124 472 M CB -0.376 32.215 32.600 -0.016 0.000 1.326 472 M HN 0.171 nan 8.290 nan 0.000 0.410 473 Q N 1.193 120.973 119.800 -0.034 0.000 2.062 473 Q HA -0.251 4.088 4.340 -0.001 0.000 0.209 473 Q C 1.826 177.803 176.000 -0.038 0.000 0.996 473 Q CA 2.251 58.032 55.803 -0.036 0.000 0.859 473 Q CB -0.358 28.375 28.738 -0.008 0.000 0.920 473 Q HN 0.360 nan 8.270 nan 0.000 0.415 474 K N -1.358 119.030 120.400 -0.021 0.000 2.113 474 K HA -0.176 4.143 4.320 -0.001 0.000 0.208 474 K C 1.863 178.443 176.600 -0.033 0.000 1.047 474 K CA 1.823 58.100 56.287 -0.017 0.000 0.928 474 K CB -0.275 32.223 32.500 -0.003 0.000 0.716 474 K HN 0.300 nan 8.250 nan 0.000 0.446 475 T N 1.148 115.673 114.554 -0.048 0.000 2.857 475 T HA -0.018 4.332 4.350 -0.001 0.000 0.266 475 T C 1.779 176.422 174.700 -0.095 0.000 1.048 475 T CA 1.126 63.184 62.100 -0.069 0.000 1.139 475 T CB -0.063 68.758 68.868 -0.078 0.000 0.874 475 T HN 0.187 nan 8.240 nan 0.000 0.455 476 I N 1.373 121.867 120.570 -0.127 0.000 2.179 476 I HA -0.198 3.971 4.170 -0.001 0.000 0.242 476 I C 2.269 178.334 176.117 -0.087 0.000 1.088 476 I CA 1.241 62.431 61.300 -0.182 0.000 1.357 476 I CB -0.313 37.510 38.000 -0.295 0.000 1.051 476 I HN 0.157 nan 8.210 nan 0.000 0.409 477 D N 0.701 121.070 120.400 -0.052 0.000 2.117 477 D HA -0.216 4.424 4.640 -0.001 0.000 0.197 477 D C 2.041 178.331 176.300 -0.017 0.000 0.987 477 D CA 1.218 55.208 54.000 -0.018 0.000 0.829 477 D CB -0.210 40.585 40.800 -0.010 0.000 0.961 477 D HN 0.127 nan 8.370 nan 0.000 0.460 478 K N 0.959 121.341 120.400 -0.029 0.000 2.002 478 K HA -0.040 4.279 4.320 -0.001 0.000 0.209 478 K C 2.207 178.792 176.600 -0.025 0.000 1.048 478 K CA 0.799 57.071 56.287 -0.025 0.000 0.930 478 K CB -0.620 31.859 32.500 -0.035 0.000 0.714 478 K HN 0.100 nan 8.250 nan 0.000 0.438 479 L N 0.098 121.296 121.223 -0.041 0.000 2.079 479 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 479 L C 2.453 179.317 176.870 -0.010 0.000 1.081 479 L CA 1.346 56.163 54.840 -0.037 0.000 0.752 479 L CB -0.684 41.339 42.059 -0.060 0.000 0.896 479 L HN 0.305 nan 8.230 nan 0.000 0.433 480 A N -0.206 122.615 122.820 0.001 0.000 1.883 480 A HA -0.284 4.036 4.320 -0.001 0.000 0.217 480 A C 2.280 179.877 177.584 0.022 0.000 1.186 480 A CA 2.015 54.065 52.037 0.022 0.000 0.624 480 A CB -0.571 18.448 19.000 0.031 0.000 0.822 480 A HN 0.502 nan 8.150 nan 0.000 0.444 481 E N -0.065 120.144 120.200 0.015 0.000 2.038 481 E HA -0.194 4.156 4.350 -0.001 0.000 0.195 481 E C 1.940 178.558 176.600 0.031 0.000 1.000 481 E CA 1.388 57.799 56.400 0.019 0.000 0.803 481 E CB -0.276 29.430 29.700 0.010 0.000 0.750 481 E HN 0.610 nan 8.360 nan 0.000 0.448 482 L N 0.808 122.047 121.223 0.027 0.000 2.187 482 L HA -0.224 4.115 4.340 -0.001 0.000 0.213 482 L C 2.800 179.723 176.870 0.088 0.000 1.100 482 L CA 0.881 55.750 54.840 0.049 0.000 0.765 482 L CB -0.425 41.650 42.059 0.027 0.000 0.904 482 L HN 0.239 nan 8.230 nan 0.000 0.437 483 Q N -0.234 119.601 119.800 0.058 0.000 2.079 483 Q HA -0.231 4.109 4.340 -0.001 0.000 0.200 483 Q C 2.124 178.196 176.000 0.119 0.000 0.974 483 Q CA 1.380 57.225 55.803 0.070 0.000 0.840 483 Q CB -0.077 28.677 28.738 0.026 0.000 0.898 483 Q HN 0.400 nan 8.270 nan 0.000 0.430 484 E N 1.015 121.264 120.200 0.081 0.000 2.106 484 E HA -0.114 4.236 4.350 -0.001 0.000 0.192 484 E C 1.855 178.502 176.600 0.078 0.000 0.984 484 E CA 1.094 57.536 56.400 0.069 0.000 0.806 484 E CB 0.019 29.745 29.700 0.042 0.000 0.750 484 E HN 0.137 nan 8.360 nan 0.000 0.458 485 R N -1.034 119.517 120.500 0.085 0.000 2.115 485 R HA -0.063 4.277 4.340 -0.001 0.000 0.226 485 R C 2.170 178.525 176.300 0.092 0.000 1.100 485 R CA 1.000 57.142 56.100 0.070 0.000 0.980 485 R CB -0.457 29.879 30.300 0.060 0.000 0.875 485 R HN 0.263 nan 8.270 nan 0.000 0.445 486 F N 2.147 122.105 119.950 0.013 0.000 2.236 486 F HA -0.207 4.319 4.527 -0.002 0.000 0.302 486 F C 1.553 177.360 175.800 0.012 0.000 1.073 486 F CA 1.597 59.610 58.000 0.021 0.000 1.336 486 F CB 0.121 39.130 39.000 0.015 0.000 1.040 486 F HN -0.155 nan 8.300 nan 0.000 0.507 487 K N -0.446 119.992 120.400 0.063 0.000 2.486 487 K HA -0.002 4.317 4.320 -0.001 0.000 0.194 487 K C 1.252 177.808 176.600 -0.074 0.000 1.033 487 K CA 0.422 56.703 56.287 -0.011 0.000 1.004 487 K CB 0.050 32.581 32.500 0.052 0.000 0.798 487 K HN 0.150 nan 8.250 nan 0.000 0.495 488 R N 0.408 120.862 120.500 -0.077 0.000 2.507 488 R HA 0.162 4.501 4.340 -0.001 0.000 0.298 488 R C -0.664 175.576 176.300 -0.099 0.000 0.999 488 R CA -0.151 55.908 56.100 -0.068 0.000 1.082 488 R CB 0.894 31.175 30.300 -0.031 0.000 1.246 488 R HN -0.121 nan 8.270 nan 0.000 0.553 489 V N 1.156 120.957 119.914 -0.188 0.000 2.546 489 V HA 0.295 4.414 4.120 -0.001 0.000 0.284 489 V C 0.167 176.163 176.094 -0.164 0.000 1.050 489 V CA -0.451 61.734 62.300 -0.190 0.000 0.981 489 V CB 1.481 33.094 31.823 -0.351 0.000 0.990 489 V HN 0.172 nan 8.190 nan 0.000 0.474 490 R N 4.867 125.312 120.500 -0.091 0.000 2.393 490 R HA 0.503 4.843 4.340 -0.001 0.000 0.315 490 R C -0.884 175.380 176.300 -0.060 0.000 0.952 490 R CA -0.664 55.390 56.100 -0.077 0.000 0.842 490 R CB 1.095 31.366 30.300 -0.049 0.000 1.163 490 R HN 0.685 nan 8.270 nan 0.000 0.450 491 I N 5.326 125.842 120.570 -0.091 0.000 2.260 491 I HA -0.001 4.168 4.170 -0.001 0.000 0.297 491 I C 1.754 177.828 176.117 -0.072 0.000 1.143 491 I CA -0.099 61.143 61.300 -0.097 0.000 1.271 491 I CB 1.120 39.031 38.000 -0.148 0.000 1.461 491 I HN 0.746 nan 8.210 nan 0.000 0.530 492 T N -0.035 114.497 114.554 -0.038 0.000 2.996 492 T HA -0.160 4.189 4.350 -0.001 0.000 0.271 492 T C 0.737 175.414 174.700 -0.038 0.000 1.126 492 T CA 0.541 62.624 62.100 -0.028 0.000 1.103 492 T CB -0.184 68.682 68.868 -0.003 0.000 0.870 492 T HN 0.445 nan 8.240 nan 0.000 0.528 493 D N 2.268 122.633 120.400 -0.059 0.000 2.359 493 D HA 0.179 4.819 4.640 -0.001 0.000 0.230 493 D C 0.825 177.075 176.300 -0.083 0.000 1.118 493 D CA -0.130 53.830 54.000 -0.067 0.000 0.844 493 D CB 1.478 42.227 40.800 -0.083 0.000 1.059 493 D HN 0.355 nan 8.370 nan 0.000 0.493 494 T N 0.062 114.577 114.554 -0.064 0.000 3.214 494 T HA 0.175 4.524 4.350 -0.001 0.000 0.264 494 T C 0.775 175.439 174.700 -0.060 0.000 1.012 494 T CA -0.468 61.593 62.100 -0.066 0.000 0.901 494 T CB -0.301 68.536 68.868 -0.051 0.000 1.070 494 T HN 0.222 nan 8.240 nan 0.000 0.561 495 S N 0.558 116.221 115.700 -0.062 0.000 2.626 495 S HA 0.448 4.917 4.470 -0.001 0.000 0.257 495 S C 0.894 175.458 174.600 -0.060 0.000 1.288 495 S CA -0.524 57.646 58.200 -0.049 0.000 0.980 495 S CB 1.140 64.317 63.200 -0.038 0.000 0.975 495 S HN 0.218 nan 8.310 nan 0.000 0.577 496 S N -1.038 114.637 115.700 -0.042 0.000 2.619 496 S HA 0.218 4.688 4.470 -0.001 0.000 0.238 496 S C -0.020 174.561 174.600 -0.033 0.000 1.068 496 S CA -0.329 57.842 58.200 -0.047 0.000 0.926 496 S CB 0.368 63.548 63.200 -0.033 0.000 0.864 496 S HN 0.545 nan 8.310 nan 0.000 0.493 497 V N 3.455 123.370 119.914 0.000 0.000 2.389 497 V HA 0.355 4.474 4.120 -0.001 0.000 0.264 497 V C -0.079 176.087 176.094 0.120 0.000 1.049 497 V CA -0.389 61.941 62.300 0.051 0.000 0.932 497 V CB -0.720 31.134 31.823 0.053 0.000 1.011 497 V HN 0.533 nan 8.190 nan 0.000 0.475 498 F N 4.072 123.973 119.950 -0.082 0.000 2.891 498 F HA -0.219 4.308 4.527 0.000 0.000 0.272 498 F C 0.738 176.453 175.800 -0.140 0.000 1.004 498 F CA 0.393 58.334 58.000 -0.098 0.000 0.938 498 F CB -0.461 38.502 39.000 -0.063 0.000 0.939 498 F HN 0.694 nan 8.300 nan 0.000 0.833 499 N N 1.501 120.057 118.700 -0.240 0.000 2.508 499 N HA 0.087 4.827 4.740 -0.001 0.000 0.253 499 N C 1.382 176.622 175.510 -0.449 0.000 1.145 499 N CA 0.731 53.622 53.050 -0.265 0.000 0.973 499 N CB 0.718 39.066 38.487 -0.232 0.000 1.305 499 N HN 0.505 nan 8.380 nan 0.000 0.506 500 T N -0.292 113.961 114.554 -0.502 0.000 2.995 500 T HA -0.115 4.235 4.350 -0.001 0.000 0.269 500 T C 1.345 175.431 174.700 -1.023 0.000 1.091 500 T CA 0.831 62.402 62.100 -0.882 0.000 1.128 500 T CB 0.025 68.334 68.868 -0.932 0.000 0.891 500 T HN 0.296 nan 8.240 nan 0.000 0.492 501 D N 1.191 121.229 120.400 -0.603 0.000 2.092 501 D HA -0.111 4.528 4.640 -0.001 0.000 0.193 501 D C 1.913 177.876 176.300 -0.562 0.000 0.994 501 D CA 1.177 54.881 54.000 -0.493 0.000 0.828 501 D CB -0.450 40.194 40.800 -0.260 0.000 0.963 501 D HN 0.340 nan 8.370 nan 0.000 0.450 502 L N 0.139 121.085 121.223 -0.461 0.000 2.017 502 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 502 L C 2.141 178.720 176.870 -0.484 0.000 1.073 502 L CA 1.512 56.103 54.840 -0.415 0.000 0.745 502 L CB -0.593 41.258 42.059 -0.347 0.000 0.894 502 L HN 0.179 nan 8.230 nan 0.000 0.432 503 L N -1.556 119.307 121.223 -0.600 0.000 2.083 503 L HA -0.260 4.079 4.340 -0.001 0.000 0.209 503 L C 2.545 179.242 176.870 -0.287 0.000 1.083 503 L CA 1.627 56.064 54.840 -0.671 0.000 0.752 503 L CB -0.813 40.821 42.059 -0.709 0.000 0.899 503 L HN 0.365 nan 8.230 nan 0.000 0.433 504 Y N -0.365 119.661 120.300 -0.457 0.000 2.293 504 Y HA -0.203 4.346 4.550 -0.002 0.000 0.291 504 Y C 2.807 178.322 175.900 -0.641 0.000 1.137 504 Y CA 0.753 58.524 58.100 -0.549 0.000 1.202 504 Y CB -0.301 37.592 38.460 -0.944 0.000 0.990 504 Y HN 0.183 nan 8.280 nan 0.000 0.537 505 T N 0.630 114.873 114.554 -0.519 0.000 2.821 505 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 505 T C 1.801 176.541 174.700 0.066 0.000 1.046 505 T CA 1.094 63.048 62.100 -0.245 0.000 1.139 505 T CB -0.274 68.425 68.868 -0.282 0.000 0.871 505 T HN 0.259 nan 8.240 nan 0.000 0.454 506 I N 0.914 121.461 120.570 -0.038 0.000 2.163 506 I HA -0.144 4.025 4.170 -0.001 0.000 0.240 506 I C 2.647 178.810 176.117 0.076 0.000 1.081 506 I CA 1.355 62.662 61.300 0.013 0.000 1.353 506 I CB -0.370 37.599 38.000 -0.051 0.000 1.054 506 I HN 0.279 nan 8.210 nan 0.000 0.407 507 E N 0.572 120.911 120.200 0.232 0.000 2.097 507 E HA -0.300 4.050 4.350 -0.001 0.000 0.196 507 E C 2.097 178.799 176.600 0.170 0.000 1.000 507 E CA 1.462 58.040 56.400 0.297 0.000 0.804 507 E CB -0.225 29.640 29.700 0.276 0.000 0.740 507 E HN 0.274 nan 8.360 nan 0.000 0.454 508 L N 0.562 121.887 121.223 0.171 0.000 2.079 508 L HA -0.094 4.245 4.340 -0.001 0.000 0.210 508 L C 2.047 178.866 176.870 -0.084 0.000 1.081 508 L CA 2.230 57.178 54.840 0.180 0.000 0.752 508 L CB -0.887 41.444 42.059 0.454 0.000 0.896 508 L HN 0.102 nan 8.230 nan 0.000 0.433 509 G N -1.604 107.010 108.800 -0.311 0.000 2.453 509 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.215 509 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.215 509 G C 1.474 176.143 174.900 -0.385 0.000 1.201 509 G CA 0.869 45.519 45.100 -0.749 0.000 0.784 509 G HN 0.548 nan 8.290 nan 0.000 0.545 510 H N 0.873 119.856 119.070 -0.145 0.000 2.353 510 H HA -0.120 4.435 4.556 -0.003 0.000 0.298 510 H C 2.874 178.143 175.328 -0.098 0.000 1.103 510 H CA 1.408 57.400 56.048 -0.094 0.000 1.293 510 H CB -0.904 28.832 29.762 -0.043 0.000 1.372 510 H HN 0.371 nan 8.280 nan 0.000 0.501 511 G N 0.809 109.635 108.800 0.042 0.000 2.446 511 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 511 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 511 G C 2.029 176.893 174.900 -0.060 0.000 1.168 511 G CA 0.781 45.877 45.100 -0.008 0.000 0.771 511 G HN 0.285 nan 8.290 nan 0.000 0.551 512 L N 0.517 121.673 121.223 -0.111 0.000 2.012 512 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 512 L C 2.832 179.647 176.870 -0.092 0.000 1.073 512 L CA 1.212 55.980 54.840 -0.119 0.000 0.748 512 L CB -0.513 41.438 42.059 -0.180 0.000 0.891 512 L HN 0.134 nan 8.230 nan 0.000 0.431 513 N N -0.217 118.425 118.700 -0.095 0.000 2.043 513 N HA -0.166 4.574 4.740 -0.001 0.000 0.193 513 N C 1.845 177.337 175.510 -0.031 0.000 1.037 513 N CA 1.314 54.333 53.050 -0.051 0.000 0.851 513 N CB -0.770 37.696 38.487 -0.035 0.000 1.027 513 N HN 0.079 nan 8.380 nan 0.000 0.422 514 V N 1.392 121.289 119.914 -0.030 0.000 2.407 514 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 514 V C 2.323 178.391 176.094 -0.043 0.000 1.055 514 V CA 1.725 64.004 62.300 -0.036 0.000 1.049 514 V CB -0.983 30.818 31.823 -0.036 0.000 0.662 514 V HN 0.337 nan 8.190 nan 0.000 0.455 515 A N -0.414 122.371 122.820 -0.058 0.000 1.902 515 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 515 A C 2.160 179.705 177.584 -0.064 0.000 1.181 515 A CA 1.788 53.774 52.037 -0.084 0.000 0.623 515 A CB -0.446 18.485 19.000 -0.116 0.000 0.818 515 A HN 0.619 nan 8.150 nan 0.000 0.443 516 E N -0.822 119.361 120.200 -0.028 0.000 2.204 516 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 516 E C 1.924 178.585 176.600 0.102 0.000 0.990 516 E CA 1.174 57.595 56.400 0.036 0.000 0.821 516 E CB -0.344 29.407 29.700 0.085 0.000 0.750 516 E HN 0.725 nan 8.360 nan 0.000 0.477 517 C N 0.295 119.620 119.300 0.041 0.000 2.467 517 C HA 0.022 4.481 4.460 -0.001 0.000 0.279 517 C C 2.544 177.536 174.990 0.003 0.000 1.347 517 C CA 0.114 59.150 59.018 0.030 0.000 1.748 517 C CB -0.606 27.122 27.740 -0.021 0.000 1.977 517 C HN 0.437 nan 8.230 nan 0.000 0.501 518 M N 1.331 120.917 119.600 -0.024 0.000 2.066 518 M HA -0.121 4.358 4.480 -0.001 0.000 0.259 518 M C 2.665 178.934 176.300 -0.052 0.000 1.074 518 M CA 2.185 57.461 55.300 -0.040 0.000 1.114 518 M CB -0.613 31.969 32.600 -0.030 0.000 1.306 518 M HN 0.414 nan 8.290 nan 0.000 0.411 519 A N -0.267 122.508 122.820 -0.074 0.000 1.873 519 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 519 A C 1.898 179.408 177.584 -0.122 0.000 1.193 519 A CA 1.831 53.795 52.037 -0.122 0.000 0.629 519 A CB -1.406 17.474 19.000 -0.201 0.000 0.826 519 A HN 0.527 nan 8.150 nan 0.000 0.447 520 H N -0.292 118.758 119.070 -0.032 0.000 2.352 520 H HA -0.084 4.472 4.556 -0.001 0.000 0.299 520 H C 2.639 177.951 175.328 -0.027 0.000 1.097 520 H CA 1.624 57.661 56.048 -0.018 0.000 1.311 520 H CB -0.352 29.403 29.762 -0.013 0.000 1.377 520 H HN 0.485 nan 8.280 nan 0.000 0.504 521 S N 0.292 116.025 115.700 0.056 0.000 2.359 521 S HA -0.181 4.289 4.470 -0.001 0.000 0.224 521 S C 2.454 176.990 174.600 -0.107 0.000 1.035 521 S CA 1.138 59.320 58.200 -0.030 0.000 1.018 521 S CB -0.267 62.877 63.200 -0.094 0.000 0.876 521 S HN 0.569 nan 8.310 nan 0.000 0.448 522 A N 1.001 123.732 122.820 -0.147 0.000 1.873 522 A HA -0.076 4.244 4.320 -0.001 0.000 0.215 522 A C 2.114 179.687 177.584 -0.018 0.000 1.186 522 A CA 1.869 53.796 52.037 -0.184 0.000 0.616 522 A CB -0.656 18.323 19.000 -0.034 0.000 0.823 522 A HN 0.466 nan 8.150 nan 0.000 0.442 523 M N 0.382 119.987 119.600 0.009 0.000 2.149 523 M HA -0.091 4.388 4.480 -0.001 0.000 0.261 523 M C 1.981 178.319 176.300 0.064 0.000 1.064 523 M CA 1.797 57.120 55.300 0.037 0.000 1.102 523 M CB -0.480 32.126 32.600 0.011 0.000 1.369 523 M HN 0.372 nan 8.290 nan 0.000 0.408 524 A N -0.677 122.194 122.820 0.085 0.000 2.016 524 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 524 A C 1.673 179.348 177.584 0.151 0.000 1.162 524 A CA 0.478 52.610 52.037 0.160 0.000 0.662 524 A CB -0.517 18.624 19.000 0.236 0.000 0.812 524 A HN 0.496 nan 8.150 nan 0.000 0.450 525 R N 1.268 121.759 120.500 -0.015 0.000 2.612 525 R HA 0.152 4.491 4.340 -0.001 0.000 0.273 525 R C -0.729 175.343 176.300 -0.380 0.000 1.376 525 R CA -0.108 55.832 56.100 -0.267 0.000 1.171 525 R CB -0.293 29.774 30.300 -0.387 0.000 1.151 525 R HN 0.190 nan 8.270 nan 0.000 0.560 526 K N 4.397 124.457 120.400 -0.567 0.000 2.715 526 K HA -0.023 4.296 4.320 -0.001 0.000 0.248 526 K C -0.539 175.761 176.600 -0.500 0.000 1.276 526 K CA 0.150 56.236 56.287 -0.336 0.000 1.209 526 K CB -0.042 32.426 32.500 -0.054 0.000 1.509 526 K HN 0.673 nan 8.250 nan 0.000 0.261 527 E N -1.897 118.072 120.200 -0.385 0.000 2.442 527 E HA 0.328 4.677 4.350 -0.001 0.000 0.278 527 E C -1.323 175.272 176.600 -0.009 0.000 1.082 527 E CA -1.083 55.190 56.400 -0.211 0.000 0.861 527 E CB 1.048 30.578 29.700 -0.283 0.000 1.462 527 E HN -0.106 nan 8.360 nan 0.000 0.458 528 S N -0.052 115.667 115.700 0.030 0.000 2.659 528 S HA 0.589 5.059 4.470 -0.001 0.000 0.312 528 S C -1.074 173.605 174.600 0.133 0.000 1.114 528 S CA -0.666 57.567 58.200 0.055 0.000 1.063 528 S CB 0.903 64.101 63.200 -0.003 0.000 0.996 528 S HN 0.431 nan 8.310 nan 0.000 0.478 529 R N 1.713 122.360 120.500 0.245 0.000 2.548 529 R HA 0.565 4.905 4.340 -0.001 0.000 0.280 529 R C 0.765 177.245 176.300 0.299 0.000 1.061 529 R CA 0.256 56.507 56.100 0.252 0.000 0.915 529 R CB 1.308 31.786 30.300 0.297 0.000 1.210 529 R HN 0.875 nan 8.270 nan 0.000 0.442 530 G N 2.141 111.032 108.800 0.151 0.000 2.652 530 G HA2 -0.464 3.496 3.960 -0.001 0.000 0.318 530 G HA3 -0.464 3.496 3.960 -0.001 0.000 0.318 530 G C 0.822 175.827 174.900 0.175 0.000 1.295 530 G CA 0.714 45.882 45.100 0.114 0.000 0.999 530 G HN 0.821 nan 8.290 nan 0.000 0.548 531 A N -0.580 122.397 122.820 0.262 0.000 2.178 531 A HA 0.203 4.523 4.320 -0.001 0.000 0.218 531 A C 1.239 178.955 177.584 0.220 0.000 1.157 531 A CA 2.142 54.314 52.037 0.225 0.000 0.689 531 A CB -0.374 18.797 19.000 0.284 0.000 0.787 531 A HN 1.410 nan 8.150 nan 0.000 0.465 532 H N 0.779 119.985 119.070 0.226 0.000 2.690 532 H HA 0.474 5.029 4.556 -0.000 0.000 0.289 532 H C -0.734 174.608 175.328 0.024 0.000 1.089 532 H CA -0.279 55.795 56.048 0.043 0.000 1.299 532 H CB 0.234 29.959 29.762 -0.060 0.000 1.405 532 H HN 0.116 nan 8.280 nan 0.000 0.463 533 Q N 4.959 124.542 119.800 -0.362 0.000 2.309 533 Q HA 0.360 4.699 4.340 -0.001 0.000 0.270 533 Q C -0.410 175.419 176.000 -0.285 0.000 1.023 533 Q CA -0.568 55.073 55.803 -0.270 0.000 0.758 533 Q CB 1.932 30.566 28.738 -0.174 0.000 1.247 533 Q HN 0.756 nan 8.270 nan 0.000 0.455 534 R N 1.661 121.996 120.500 -0.275 0.000 2.598 534 R HA 0.538 4.878 4.340 -0.001 0.000 0.279 534 R C 0.935 177.165 176.300 -0.116 0.000 0.984 534 R CA -0.502 55.478 56.100 -0.199 0.000 0.999 534 R CB 1.312 31.495 30.300 -0.196 0.000 1.114 534 R HN 0.449 nan 8.270 nan 0.000 0.493 535 L N 0.728 121.875 121.223 -0.126 0.000 2.664 535 L HA 0.121 4.460 4.340 -0.001 0.000 0.233 535 L C 0.086 176.909 176.870 -0.078 0.000 1.113 535 L CA -0.125 54.632 54.840 -0.138 0.000 0.896 535 L CB -0.061 41.875 42.059 -0.205 0.000 1.163 535 L HN 0.664 nan 8.230 nan 0.000 0.497 536 D N 0.872 121.237 120.400 -0.058 0.000 2.302 536 D HA -0.031 4.608 4.640 -0.001 0.000 0.248 536 D C 0.102 176.389 176.300 -0.022 0.000 1.094 536 D CA -0.435 53.546 54.000 -0.031 0.000 0.897 536 D CB 1.144 41.932 40.800 -0.019 0.000 1.200 536 D HN 0.018 nan 8.370 nan 0.000 0.429 537 E N 0.530 120.724 120.200 -0.010 0.000 2.820 537 E HA 0.034 4.384 4.350 -0.001 0.000 0.251 537 E C 0.926 177.528 176.600 0.004 0.000 0.944 537 E CA 1.048 57.447 56.400 -0.002 0.000 0.955 537 E CB -0.312 29.390 29.700 0.004 0.000 0.904 537 E HN 0.796 nan 8.360 nan 0.000 0.513 538 G N 3.059 111.863 108.800 0.007 0.000 2.176 538 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.253 538 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.253 538 G C 0.556 175.462 174.900 0.011 0.000 0.979 538 G CA 0.159 45.269 45.100 0.016 0.000 0.641 538 G HN 0.630 nan 8.290 nan 0.000 0.530 539 C N 0.470 119.765 119.300 -0.009 0.000 3.642 539 C HA 0.360 4.819 4.460 -0.001 0.000 0.305 539 C C 2.443 177.411 174.990 -0.037 0.000 1.492 539 C CA 1.027 60.025 59.018 -0.033 0.000 1.809 539 C CB -0.388 27.325 27.740 -0.046 0.000 2.639 539 C HN 0.797 nan 8.230 nan 0.000 0.672 540 T N -1.680 112.862 114.554 -0.020 0.000 3.118 540 T HA 0.075 4.424 4.350 -0.001 0.000 0.260 540 T C 0.329 175.034 174.700 0.009 0.000 1.139 540 T CA 0.931 63.023 62.100 -0.013 0.000 1.085 540 T CB 0.327 69.189 68.868 -0.011 0.000 0.934 540 T HN 0.605 nan 8.240 nan 0.000 0.518 541 E N 0.351 120.560 120.200 0.015 0.000 2.316 541 E HA 0.518 4.867 4.350 -0.001 0.000 0.258 541 E C -0.685 175.940 176.600 0.042 0.000 0.952 541 E CA -1.206 55.213 56.400 0.031 0.000 0.818 541 E CB 1.744 31.462 29.700 0.030 0.000 1.260 541 E HN 0.078 nan 8.360 nan 0.000 0.416 542 R N 1.268 121.801 120.500 0.053 0.000 2.340 542 R HA 0.068 4.407 4.340 -0.001 0.000 0.300 542 R C -1.058 175.287 176.300 0.076 0.000 1.069 542 R CA -0.052 56.091 56.100 0.073 0.000 0.984 542 R CB 0.500 30.843 30.300 0.072 0.000 1.003 542 R HN 0.334 nan 8.270 nan 0.000 0.459 543 D N 2.975 123.447 120.400 0.121 0.000 2.464 543 D HA 0.126 4.766 4.640 -0.001 0.000 0.243 543 D C -0.568 175.819 176.300 0.145 0.000 1.104 543 D CA -0.466 53.623 54.000 0.147 0.000 0.883 543 D CB 1.248 42.200 40.800 0.253 0.000 1.050 543 D HN 0.457 nan 8.370 nan 0.000 0.524 544 D N 2.162 122.599 120.400 0.062 0.000 2.355 544 D HA -0.026 4.614 4.640 -0.001 0.000 0.218 544 D C 1.990 178.292 176.300 0.003 0.000 1.004 544 D CA 0.354 54.370 54.000 0.027 0.000 0.880 544 D CB 0.762 41.542 40.800 -0.034 0.000 0.911 544 D HN 0.255 nan 8.370 nan 0.000 0.528 545 V N 0.885 120.804 119.914 0.007 0.000 2.407 545 V HA -0.067 4.052 4.120 -0.001 0.000 0.245 545 V C 1.701 177.752 176.094 -0.073 0.000 1.041 545 V CA 1.167 63.452 62.300 -0.025 0.000 1.040 545 V CB -0.105 31.710 31.823 -0.013 0.000 0.671 545 V HN 0.205 nan 8.190 nan 0.000 0.455 546 N N -1.517 117.134 118.700 -0.082 0.000 2.332 546 N HA 0.175 4.914 4.740 -0.001 0.000 0.190 546 N C 0.854 175.958 175.510 -0.677 0.000 1.117 546 N CA 0.430 53.281 53.050 -0.332 0.000 0.883 546 N CB 0.767 39.056 38.487 -0.331 0.000 1.089 546 N HN 0.454 nan 8.380 nan 0.000 0.480 547 F N 0.454 120.370 119.950 -0.057 0.000 2.683 547 F HA 0.313 4.839 4.527 -0.001 0.000 0.306 547 F C 0.685 176.482 175.800 -0.006 0.000 1.102 547 F CA -0.438 57.533 58.000 -0.048 0.000 1.244 547 F CB 0.425 39.426 39.000 0.001 0.000 1.029 547 F HN -0.149 nan 8.300 nan 0.000 0.545 548 L N 3.626 124.893 121.223 0.073 0.000 2.544 548 L HA 0.157 4.496 4.340 -0.001 0.000 0.240 548 L C 0.179 177.046 176.870 -0.006 0.000 1.421 548 L CA 0.497 55.366 54.840 0.049 0.000 1.206 548 L CB -1.676 40.395 42.059 0.020 0.000 1.463 548 L HN 0.141 nan 8.230 nan 0.000 0.437 549 K N -0.777 119.637 120.400 0.022 0.000 2.548 549 K HA 0.464 4.783 4.320 -0.001 0.000 0.282 549 K C -1.151 175.493 176.600 0.074 0.000 1.006 549 K CA -1.014 55.270 56.287 -0.006 0.000 0.892 549 K CB 1.071 33.607 32.500 0.061 0.000 1.499 549 K HN -0.048 nan 8.250 nan 0.000 0.433 550 H N 0.466 119.677 119.070 0.235 0.000 2.482 550 H HA 0.247 4.803 4.556 -0.000 0.000 0.344 550 H C -0.402 175.085 175.328 0.265 0.000 1.151 550 H CA -0.219 55.964 56.048 0.224 0.000 1.300 550 H CB 1.763 31.596 29.762 0.119 0.000 1.494 550 H HN 0.494 nan 8.280 nan 0.000 0.542 551 T N 3.955 118.709 114.554 0.334 0.000 2.743 551 T HA 0.328 4.677 4.350 -0.001 0.000 0.293 551 T C 0.610 175.277 174.700 -0.056 0.000 0.945 551 T CA -0.593 61.528 62.100 0.035 0.000 1.030 551 T CB 0.208 69.116 68.868 0.067 0.000 0.912 551 T HN 0.189 nan 8.240 nan 0.000 0.483 552 L N 3.107 124.230 121.223 -0.166 0.000 2.287 552 L HA 0.694 5.033 4.340 -0.001 0.000 0.287 552 L C 0.177 176.978 176.870 -0.117 0.000 1.022 552 L CA -0.980 53.782 54.840 -0.130 0.000 0.814 552 L CB 1.298 43.360 42.059 0.005 0.000 1.217 552 L HN 0.643 nan 8.230 nan 0.000 0.420 553 A N 4.179 126.874 122.820 -0.208 0.000 2.303 553 A HA 0.819 5.139 4.320 -0.001 0.000 0.320 553 A C -1.171 176.287 177.584 -0.210 0.000 1.192 553 A CA -0.290 51.686 52.037 -0.102 0.000 0.821 553 A CB 0.555 19.505 19.000 -0.083 0.000 1.188 553 A HN 0.504 nan 8.150 nan 0.000 0.492 554 F N 0.861 120.761 119.950 -0.084 0.000 2.532 554 F HA 0.634 5.159 4.527 -0.004 0.000 0.321 554 F C 0.605 176.364 175.800 -0.069 0.000 1.089 554 F CA -0.470 57.488 58.000 -0.070 0.000 0.926 554 F CB 2.148 41.107 39.000 -0.069 0.000 1.168 554 F HN 0.593 nan 8.300 nan 0.000 0.459 555 R N 2.884 123.463 120.500 0.131 0.000 2.337 555 R HA 0.290 4.629 4.340 -0.001 0.000 0.319 555 R C -1.209 175.118 176.300 0.044 0.000 0.954 555 R CA -0.599 55.532 56.100 0.052 0.000 0.840 555 R CB 0.590 30.898 30.300 0.015 0.000 1.164 555 R HN 0.668 nan 8.270 nan 0.000 0.472 556 D N 2.590 123.000 120.400 0.018 0.000 2.383 556 D HA 0.075 4.715 4.640 -0.001 0.000 0.248 556 D C 1.035 177.327 176.300 -0.014 0.000 1.170 556 D CA 0.010 54.009 54.000 -0.002 0.000 0.977 556 D CB 1.233 42.018 40.800 -0.024 0.000 1.120 556 D HN 0.638 nan 8.370 nan 0.000 0.481 557 A N 0.948 123.756 122.820 -0.021 0.000 2.131 557 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 557 A C 1.208 178.780 177.584 -0.020 0.000 1.158 557 A CA 1.428 53.450 52.037 -0.025 0.000 0.665 557 A CB -0.357 18.626 19.000 -0.029 0.000 0.795 557 A HN 0.568 nan 8.150 nan 0.000 0.460 558 D N -2.053 118.335 120.400 -0.019 0.000 2.328 558 D HA 0.269 4.908 4.640 -0.001 0.000 0.226 558 D C 1.119 177.411 176.300 -0.013 0.000 1.066 558 D CA 0.667 54.658 54.000 -0.016 0.000 0.861 558 D CB -0.756 40.033 40.800 -0.018 0.000 0.912 558 D HN 0.697 nan 8.370 nan 0.000 0.521 559 G N 0.484 109.275 108.800 -0.014 0.000 2.148 559 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.254 559 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.254 559 G C 0.400 175.291 174.900 -0.015 0.000 0.981 559 G CA 0.607 45.700 45.100 -0.012 0.000 0.670 559 G HN 0.707 nan 8.290 nan 0.000 0.528 560 T N -1.263 113.275 114.554 -0.027 0.000 2.907 560 T HA 0.617 4.966 4.350 -0.001 0.000 0.284 560 T C -0.002 174.658 174.700 -0.068 0.000 1.004 560 T CA 0.044 62.113 62.100 -0.052 0.000 1.063 560 T CB 2.196 71.028 68.868 -0.060 0.000 0.992 560 T HN 0.217 nan 8.240 nan 0.000 0.483 561 T N 3.606 118.075 114.554 -0.141 0.000 2.781 561 T HA 0.392 4.742 4.350 -0.001 0.000 0.305 561 T C 0.209 174.786 174.700 -0.205 0.000 1.001 561 T CA -0.641 61.370 62.100 -0.149 0.000 0.950 561 T CB 0.184 68.960 68.868 -0.155 0.000 0.955 561 T HN 0.468 nan 8.240 nan 0.000 0.471 562 R N 2.582 123.039 120.500 -0.071 0.000 2.540 562 R HA 0.696 5.035 4.340 -0.001 0.000 0.287 562 R C -0.473 175.838 176.300 0.017 0.000 0.980 562 R CA -0.816 55.249 56.100 -0.058 0.000 0.966 562 R CB 1.439 31.696 30.300 -0.072 0.000 1.106 562 R HN 0.447 nan 8.270 nan 0.000 0.480 563 L N 1.051 122.260 121.223 -0.023 0.000 2.322 563 L HA 0.560 4.900 4.340 -0.001 0.000 0.269 563 L C -0.071 176.744 176.870 -0.093 0.000 1.012 563 L CA -0.672 54.133 54.840 -0.059 0.000 0.815 563 L CB 1.846 43.825 42.059 -0.132 0.000 1.295 563 L HN 0.565 nan 8.230 nan 0.000 0.438 564 E N 0.090 120.186 120.200 -0.173 0.000 2.413 564 E HA 0.477 4.827 4.350 -0.001 0.000 0.277 564 E C -1.971 174.449 176.600 -0.299 0.000 0.958 564 E CA -0.735 55.606 56.400 -0.098 0.000 0.779 564 E CB 2.922 32.669 29.700 0.077 0.000 1.278 564 E HN 0.299 nan 8.360 nan 0.000 0.456 565 Y N 0.224 120.588 120.300 0.105 0.000 2.446 565 Y HA 0.424 4.975 4.550 0.000 0.000 0.345 565 Y C 0.129 176.089 175.900 0.101 0.000 0.984 565 Y CA -0.611 57.553 58.100 0.106 0.000 1.058 565 Y CB 2.219 40.716 38.460 0.062 0.000 1.220 565 Y HN 0.432 nan 8.280 nan 0.000 0.455 566 S N 0.671 116.538 115.700 0.277 0.000 2.566 566 S HA 0.522 4.992 4.470 -0.001 0.000 0.298 566 S C -1.156 173.551 174.600 0.178 0.000 1.083 566 S CA -1.151 57.176 58.200 0.212 0.000 0.978 566 S CB 1.817 65.141 63.200 0.207 0.000 1.073 566 S HN 0.509 nan 8.310 nan 0.000 0.491 567 D N 0.837 121.309 120.400 0.120 0.000 2.357 567 D HA 0.358 4.998 4.640 -0.001 0.000 0.242 567 D C -0.335 175.989 176.300 0.040 0.000 1.153 567 D CA -0.112 53.921 54.000 0.054 0.000 0.918 567 D CB 1.314 42.143 40.800 0.049 0.000 1.181 567 D HN 0.395 nan 8.370 nan 0.000 0.435 568 V N 1.803 121.695 119.914 -0.038 0.000 2.370 568 V HA 0.101 4.220 4.120 -0.001 0.000 0.283 568 V C 0.321 176.448 176.094 0.056 0.000 1.023 568 V CA -0.896 61.382 62.300 -0.037 0.000 0.857 568 V CB 1.322 33.056 31.823 -0.148 0.000 0.985 568 V HN 0.346 nan 8.190 nan 0.000 0.443 569 K N 6.038 126.497 120.400 0.099 0.000 2.382 569 K HA 0.226 4.545 4.320 -0.001 0.000 0.286 569 K C -0.508 176.163 176.600 0.119 0.000 1.062 569 K CA 0.201 56.548 56.287 0.101 0.000 1.000 569 K CB -0.143 32.419 32.500 0.104 0.000 0.954 569 K HN 0.477 nan 8.250 nan 0.000 0.470 570 I N 4.314 124.958 120.570 0.122 0.000 2.488 570 I HA 0.216 4.386 4.170 -0.001 0.000 0.299 570 I C 1.226 177.434 176.117 0.151 0.000 0.984 570 I CA -0.240 61.156 61.300 0.160 0.000 1.250 570 I CB 1.347 39.440 38.000 0.154 0.000 1.389 570 I HN 0.966 nan 8.210 nan 0.000 0.488 571 T N -0.869 113.798 114.554 0.188 0.000 3.361 571 T HA 0.013 4.362 4.350 -0.001 0.000 0.241 571 T C 1.086 175.863 174.700 0.127 0.000 0.998 571 T CA 0.785 62.969 62.100 0.140 0.000 1.215 571 T CB 0.207 69.149 68.868 0.124 0.000 1.196 571 T HN 0.578 nan 8.240 nan 0.000 0.376 572 T N -1.039 113.614 114.554 0.165 0.000 3.004 572 T HA 0.457 4.807 4.350 -0.001 0.000 0.266 572 T C -0.012 174.834 174.700 0.243 0.000 0.986 572 T CA -0.326 61.860 62.100 0.143 0.000 0.902 572 T CB 0.252 69.145 68.868 0.042 0.000 1.118 572 T HN 0.242 nan 8.240 nan 0.000 0.522 573 L N 4.114 125.549 121.223 0.353 0.000 2.495 573 L HA 0.538 4.878 4.340 -0.001 0.000 0.248 573 L C -2.651 174.503 176.870 0.473 0.000 1.229 573 L CA -2.431 52.670 54.840 0.435 0.000 0.942 573 L CB 1.219 43.595 42.059 0.529 0.000 1.242 573 L HN -0.068 nan 8.230 nan 0.000 0.484 574 P HA 0.227 nan 4.420 nan 0.000 0.270 574 P C -2.735 174.587 177.300 0.038 0.000 1.223 574 P CA -0.986 62.225 63.100 0.185 0.000 0.785 574 P CB -0.052 31.704 31.700 0.094 0.000 0.923 575 P HA 0.332 nan 4.420 nan 0.000 0.277 575 P C -2.158 174.809 177.300 -0.555 0.000 1.240 575 P CA -0.348 62.185 63.100 -0.946 0.000 0.798 575 P CB 2.022 33.231 31.700 -0.818 0.000 0.979 576 A N 0.000 122.419 122.820 -0.669 0.000 2.254 576 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 576 A CA 0.000 51.833 52.037 -0.340 0.000 0.836 576 A CB 0.000 18.895 19.000 -0.174 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486