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 2w66_1_B DATA FIRST_RESID 4 DATA SEQUENCE SLQPPPQQLI VQNKTIDLPA VYQLNGGEEA NPHAVKVLKE LLSGKQSSKK DATA SEQUENCE GMLISIGEKG DKSVRKYSRQ IPDHKEGYYL SVNEKEIVLA GNDERGTYYA DATA SEQUENCE LQTFAQLLKD GKLPEVEIKD YPSVRYRGVV EGFYGTPWSH QARLSQLKFY DATA SEQUENCE GKNKMNTYIY GPKDDPYHSA PNWRLPYPDK EAAQLQELVA VANENEVDFV DATA SEQUENCE WAIHPGQDIK WNKEDRDLLL AKFEKMYQLG VRSFAVFFDD ISGEGTNPQK DATA SEQUENCE QAELLNYIDE KFAQVKPDIN QLVMCPTEYN KSWSNPNGNY LTTLGDKLNP DATA SEQUENCE SIQIMWTGDR VISDITRDGI SWINERIKRP AYIWWNFPVS DYVRDHLLLG DATA SEQUENCE PVYGNDTTIA KEMSGFVTNP MEHAESSKIA IYSVASYAWN PAKYDTWQTW DATA SEQUENCE KDAIRTILPS AAEELECFAM HNSDLGPNGH GYRREESMDI QPAAERFLKA DATA SEQUENCE FKEGKNYDKA DFETLQYTFE RMKESADILL MNTENKPLIV EITPWVHQFK DATA SEQUENCE LTAEMGEEVL KMVEGRNESY FLRKYNHVKA LQQQMFYIDQ TSNQNPYQPG DATA SEQUENCE VKTATRVIKP LIDRTFATVV KFFNQKFNAH LDATTDYMPH KMXXXXXXXX DATA SEQUENCE NLPLQVKANR VLISPXXXXX XXXXXXXVEI ELDAIYPGEN IQINFXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXRLSAG LQKAPVKFVR FXXXXXXXXX DATA SEQUENCE XXXXXFVLTI EK 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.590 174.600 -0.017 0.000 1.055 4 S CA 0.000 58.202 58.200 0.004 0.000 1.107 4 S CB 0.000 63.220 63.200 0.033 0.000 0.593 5 L N 2.045 123.251 121.223 -0.029 0.000 2.381 5 L HA 0.598 4.939 4.340 0.001 0.000 0.274 5 L C -1.053 175.763 176.870 -0.089 0.000 0.988 5 L CA -0.576 54.224 54.840 -0.066 0.000 0.824 5 L CB 1.807 43.828 42.059 -0.063 0.000 1.263 5 L HN 0.469 nan 8.230 nan 0.000 0.410 6 Q N 3.724 123.432 119.800 -0.153 0.000 2.310 6 Q HA 0.455 4.796 4.340 0.001 0.000 0.270 6 Q C -2.505 173.244 176.000 -0.419 0.000 1.025 6 Q CA -1.799 53.851 55.803 -0.256 0.000 0.772 6 Q CB 2.785 31.355 28.738 -0.280 0.000 1.253 6 Q HN 0.265 nan 8.270 nan 0.000 0.450 7 P HA 0.186 nan 4.420 nan 0.000 0.274 7 P C -2.485 174.683 177.300 -0.219 0.000 1.246 7 P CA -1.270 61.642 63.100 -0.313 0.000 0.795 7 P CB -0.026 31.470 31.700 -0.339 0.000 1.006 8 P HA 0.154 nan 4.420 nan 0.000 0.271 8 P C -2.486 174.829 177.300 0.025 0.000 1.220 8 P CA -1.577 61.508 63.100 -0.025 0.000 0.768 8 P CB -0.527 31.177 31.700 0.007 0.000 0.848 9 P HA 0.050 nan 4.420 nan 0.000 0.272 9 P C 1.098 178.394 177.300 -0.006 0.000 1.223 9 P CA -0.027 63.115 63.100 0.070 0.000 0.784 9 P CB 0.796 32.519 31.700 0.038 0.000 0.923 10 Q N 0.369 120.101 119.800 -0.113 0.000 2.112 10 Q HA -0.166 4.175 4.340 0.001 0.000 0.206 10 Q C 0.865 176.796 176.000 -0.116 0.000 0.987 10 Q CA 1.738 57.390 55.803 -0.251 0.000 0.858 10 Q CB 0.031 28.401 28.738 -0.613 0.000 0.905 10 Q HN 0.614 nan 8.270 nan 0.000 0.420 11 Q N -0.510 119.249 119.800 -0.068 0.000 2.315 11 Q HA 0.522 4.863 4.340 0.001 0.000 0.273 11 Q C -2.072 173.930 176.000 0.004 0.000 1.053 11 Q CA -0.526 55.267 55.803 -0.016 0.000 0.817 11 Q CB 1.667 30.412 28.738 0.012 0.000 1.326 11 Q HN 0.104 nan 8.270 nan 0.000 0.423 12 L N 4.529 125.759 121.223 0.012 0.000 2.505 12 L HA 0.625 4.966 4.340 0.001 0.000 0.266 12 L C -2.146 174.738 176.870 0.023 0.000 0.954 12 L CA -0.204 54.648 54.840 0.019 0.000 0.852 12 L CB 1.918 43.984 42.059 0.011 0.000 1.282 12 L HN 0.715 nan 8.230 nan 0.000 0.403 13 I N 5.800 126.389 120.570 0.031 0.000 2.410 13 I HA 0.504 4.675 4.170 0.001 0.000 0.286 13 I C -0.841 175.291 176.117 0.025 0.000 1.009 13 I CA -0.920 60.399 61.300 0.030 0.000 1.111 13 I CB 1.982 40.007 38.000 0.042 0.000 1.262 13 I HN 0.317 nan 8.210 nan 0.000 0.443 14 V N 6.350 126.275 119.914 0.018 0.000 2.370 14 V HA 0.293 4.413 4.120 0.001 0.000 0.283 14 V C -0.089 176.013 176.094 0.014 0.000 1.023 14 V CA -0.767 61.541 62.300 0.013 0.000 0.857 14 V CB 1.459 33.286 31.823 0.007 0.000 0.985 14 V HN 0.653 nan 8.190 nan 0.000 0.443 15 Q N 3.183 122.993 119.800 0.016 0.000 2.278 15 Q HA 0.400 4.741 4.340 0.001 0.000 0.257 15 Q C -0.798 175.208 176.000 0.011 0.000 0.928 15 Q CA -0.797 55.016 55.803 0.016 0.000 0.932 15 Q CB 0.990 29.740 28.738 0.020 0.000 1.221 15 Q HN 0.603 nan 8.270 nan 0.000 0.434 16 N N 3.374 122.080 118.700 0.009 0.000 2.400 16 N HA 0.153 4.894 4.740 0.001 0.000 0.278 16 N C -0.713 174.800 175.510 0.006 0.000 1.247 16 N CA 0.440 53.493 53.050 0.005 0.000 0.970 16 N CB 0.250 38.740 38.487 0.004 0.000 1.312 16 N HN 0.486 nan 8.380 nan 0.000 0.488 17 K N -0.276 120.126 120.400 0.005 0.000 2.675 17 K HA 0.306 4.627 4.320 0.001 0.000 0.280 17 K C -1.383 175.219 176.600 0.003 0.000 0.993 17 K CA -0.678 55.613 56.287 0.006 0.000 0.863 17 K CB 1.418 33.924 32.500 0.011 0.000 1.438 17 K HN 0.499 nan 8.250 nan 0.000 0.389 18 T N -0.128 114.427 114.554 0.002 0.000 2.933 18 T HA 0.735 5.086 4.350 0.001 0.000 0.305 18 T C -0.763 173.938 174.700 0.002 0.000 1.092 18 T CA -0.861 61.237 62.100 -0.002 0.000 1.008 18 T CB 0.905 69.768 68.868 -0.009 0.000 1.102 18 T HN 0.529 nan 8.240 nan 0.000 0.469 19 I N -0.407 120.165 120.570 0.003 0.000 2.740 19 I HA 0.772 4.943 4.170 0.001 0.000 0.303 19 I C -1.116 175.005 176.117 0.006 0.000 1.044 19 I CA -0.918 60.388 61.300 0.011 0.000 1.064 19 I CB 1.947 39.961 38.000 0.023 0.000 1.249 19 I HN 0.436 nan 8.210 nan 0.000 0.433 20 D N 4.404 124.811 120.400 0.012 0.000 2.255 20 D HA 0.282 4.923 4.640 0.001 0.000 0.249 20 D C -0.214 176.099 176.300 0.022 0.000 1.078 20 D CA -0.180 53.825 54.000 0.009 0.000 0.896 20 D CB 1.788 42.596 40.800 0.013 0.000 1.194 20 D HN 0.468 nan 8.370 nan 0.000 0.429 21 L N 3.565 124.796 121.223 0.013 0.000 2.559 21 L HA 0.077 4.418 4.340 0.001 0.000 0.282 21 L C -2.121 174.779 176.870 0.051 0.000 1.232 21 L CA -0.614 54.245 54.840 0.032 0.000 0.885 21 L CB -0.154 41.909 42.059 0.007 0.000 1.131 21 L HN 0.201 nan 8.230 nan 0.000 0.498 22 P HA 0.027 nan 4.420 nan 0.000 0.261 22 P C 0.018 177.400 177.300 0.137 0.000 1.203 22 P CA 0.248 63.416 63.100 0.114 0.000 0.767 22 P CB 0.631 32.437 31.700 0.177 0.000 0.785 23 A N 3.605 126.485 122.820 0.101 0.000 2.131 23 A HA -0.011 4.310 4.320 0.001 0.000 0.220 23 A C 0.746 178.407 177.584 0.129 0.000 1.158 23 A CA 1.361 53.457 52.037 0.098 0.000 0.665 23 A CB -0.220 18.815 19.000 0.060 0.000 0.795 23 A HN 0.437 nan 8.150 nan 0.000 0.460 24 V N -0.694 119.308 119.914 0.147 0.000 2.752 24 V HA 0.494 4.615 4.120 0.001 0.000 0.302 24 V C -1.185 174.988 176.094 0.132 0.000 1.133 24 V CA -0.631 61.722 62.300 0.089 0.000 0.919 24 V CB 1.602 33.431 31.823 0.010 0.000 1.026 24 V HN 0.522 nan 8.190 nan 0.000 0.429 25 Y N 1.813 122.122 120.300 0.016 0.000 2.571 25 Y HA 0.766 5.317 4.550 0.001 0.000 0.341 25 Y C -0.842 175.065 175.900 0.011 0.000 1.076 25 Y CA -1.068 57.041 58.100 0.015 0.000 1.029 25 Y CB 1.950 40.420 38.460 0.017 0.000 1.308 25 Y HN 0.572 nan 8.280 nan 0.000 0.461 26 Q N 3.957 123.850 119.800 0.154 0.000 2.368 26 Q HA 0.437 4.778 4.340 0.001 0.000 0.263 26 Q C -1.752 174.376 176.000 0.213 0.000 1.009 26 Q CA -0.768 55.078 55.803 0.073 0.000 0.818 26 Q CB 1.414 30.176 28.738 0.041 0.000 1.239 26 Q HN 0.967 nan 8.270 nan 0.000 0.464 27 L N 4.416 125.780 121.223 0.234 0.000 2.319 27 L HA 0.353 4.694 4.340 0.001 0.000 0.280 27 L C -0.831 176.100 176.870 0.101 0.000 1.099 27 L CA -0.104 54.859 54.840 0.205 0.000 0.828 27 L CB 0.736 42.935 42.059 0.233 0.000 1.150 27 L HN 0.699 nan 8.230 nan 0.000 0.442 28 N N 2.893 121.638 118.700 0.075 0.000 2.399 28 N HA 0.503 5.244 4.740 0.001 0.000 0.280 28 N C 0.260 175.798 175.510 0.046 0.000 1.008 28 N CA 0.444 53.529 53.050 0.058 0.000 0.894 28 N CB 1.790 40.317 38.487 0.066 0.000 1.273 28 N HN 0.757 nan 8.380 nan 0.000 0.486 29 G N 1.854 110.678 108.800 0.040 0.000 2.176 29 G HA2 -0.213 3.748 3.960 0.001 0.000 0.232 29 G HA3 -0.213 3.748 3.960 0.001 0.000 0.232 29 G C 0.953 175.865 174.900 0.021 0.000 0.986 29 G CA 0.264 45.383 45.100 0.031 0.000 0.643 29 G HN 0.885 nan 8.290 nan 0.000 0.522 30 G N -0.114 108.701 108.800 0.025 0.000 2.535 30 G HA2 0.111 4.072 3.960 0.001 0.000 0.218 30 G HA3 0.111 4.072 3.960 0.001 0.000 0.218 30 G C 1.206 176.115 174.900 0.015 0.000 1.122 30 G CA 1.426 46.539 45.100 0.021 0.000 0.769 30 G HN 0.486 nan 8.290 nan 0.000 0.549 31 E N -0.242 119.967 120.200 0.014 0.000 2.452 31 E HA 0.078 4.429 4.350 0.001 0.000 0.197 31 E C 1.657 178.258 176.600 0.001 0.000 1.022 31 E CA 0.241 56.646 56.400 0.008 0.000 0.890 31 E CB 0.495 30.201 29.700 0.010 0.000 0.918 31 E HN 0.585 nan 8.360 nan 0.000 0.496 32 E N -0.155 120.046 120.200 0.002 0.000 2.508 32 E HA 0.223 4.574 4.350 0.001 0.000 0.217 32 E C 0.356 176.952 176.600 -0.006 0.000 0.896 32 E CA -0.138 56.261 56.400 -0.001 0.000 1.118 32 E CB 1.067 30.771 29.700 0.008 0.000 1.133 32 E HN -0.010 nan 8.360 nan 0.000 0.526 33 A N 1.704 124.521 122.820 -0.005 0.000 2.313 33 A HA 0.144 4.464 4.320 0.001 0.000 0.261 33 A C 0.317 177.882 177.584 -0.032 0.000 1.090 33 A CA -0.460 51.572 52.037 -0.008 0.000 0.807 33 A CB 0.194 19.192 19.000 -0.003 0.000 1.055 33 A HN 0.096 nan 8.150 nan 0.000 0.492 34 N N 1.003 119.679 118.700 -0.040 0.000 2.236 34 N HA -0.022 4.719 4.740 0.001 0.000 0.274 34 N C -1.789 173.671 175.510 -0.084 0.000 1.339 34 N CA -1.044 51.950 53.050 -0.092 0.000 0.845 34 N CB 0.531 38.981 38.487 -0.061 0.000 1.091 34 N HN 0.178 nan 8.380 nan 0.000 0.489 35 P HA -0.138 nan 4.420 nan 0.000 0.216 35 P C 0.585 177.907 177.300 0.037 0.000 1.150 35 P CA 1.521 64.574 63.100 -0.078 0.000 0.837 35 P CB 0.011 31.635 31.700 -0.126 0.000 0.786 36 H N -0.878 118.195 119.070 0.005 0.000 2.352 36 H HA -0.090 4.467 4.556 0.001 0.000 0.299 36 H C 1.986 177.431 175.328 0.194 0.000 1.097 36 H CA 0.846 56.915 56.048 0.035 0.000 1.311 36 H CB -0.380 29.286 29.762 -0.160 0.000 1.377 36 H HN 0.104 nan 8.280 nan 0.000 0.504 37 A N 0.711 123.708 122.820 0.295 0.000 1.898 37 A HA -0.101 4.219 4.320 0.001 0.000 0.216 37 A C 2.612 180.250 177.584 0.091 0.000 1.181 37 A CA 1.268 53.437 52.037 0.220 0.000 0.620 37 A CB -0.693 18.377 19.000 0.117 0.000 0.819 37 A HN 0.205 nan 8.150 nan 0.000 0.442 38 V N 0.418 120.369 119.914 0.063 0.000 2.343 38 V HA -0.259 3.862 4.120 0.001 0.000 0.247 38 V C 2.552 178.670 176.094 0.041 0.000 1.051 38 V CA 2.307 64.624 62.300 0.028 0.000 1.036 38 V CB -0.595 31.241 31.823 0.021 0.000 0.654 38 V HN 0.589 nan 8.190 nan 0.000 0.451 39 K N -0.089 120.356 120.400 0.076 0.000 2.057 39 K HA -0.139 4.182 4.320 0.001 0.000 0.207 39 K C 2.103 178.739 176.600 0.061 0.000 1.049 39 K CA 1.438 57.768 56.287 0.073 0.000 0.931 39 K CB -0.160 32.398 32.500 0.098 0.000 0.714 39 K HN 0.372 nan 8.250 nan 0.000 0.440 40 V N 1.886 121.845 119.914 0.074 0.000 2.295 40 V HA -0.270 3.851 4.120 0.001 0.000 0.246 40 V C 2.368 178.472 176.094 0.018 0.000 1.049 40 V CA 1.598 63.920 62.300 0.036 0.000 1.024 40 V CB -0.481 31.341 31.823 -0.002 0.000 0.648 40 V HN 0.347 nan 8.190 nan 0.000 0.447 41 L N 0.265 121.489 121.223 0.002 0.000 2.042 41 L HA -0.175 4.166 4.340 0.001 0.000 0.210 41 L C 2.323 179.175 176.870 -0.031 0.000 1.076 41 L CA 1.986 56.810 54.840 -0.026 0.000 0.749 41 L CB -0.730 41.273 42.059 -0.094 0.000 0.893 41 L HN 0.224 nan 8.230 nan 0.000 0.432 42 K N -0.576 119.818 120.400 -0.010 0.000 2.155 42 K HA -0.123 4.197 4.320 0.001 0.000 0.203 42 K C 1.936 178.543 176.600 0.011 0.000 1.052 42 K CA 1.396 57.684 56.287 0.002 0.000 0.948 42 K CB -0.090 32.430 32.500 0.033 0.000 0.728 42 K HN 0.477 nan 8.250 nan 0.000 0.448 43 E N 1.067 121.275 120.200 0.015 0.000 2.051 43 E HA -0.163 4.188 4.350 0.001 0.000 0.192 43 E C 1.935 178.538 176.600 0.005 0.000 0.991 43 E CA 0.984 57.392 56.400 0.013 0.000 0.799 43 E CB -0.112 29.595 29.700 0.012 0.000 0.748 43 E HN 0.199 nan 8.360 nan 0.000 0.449 44 L N 0.208 121.434 121.223 0.006 0.000 2.187 44 L HA -0.186 4.155 4.340 0.001 0.000 0.213 44 L C 1.636 178.501 176.870 -0.008 0.000 1.100 44 L CA 0.502 55.344 54.840 0.003 0.000 0.765 44 L CB -0.053 42.039 42.059 0.055 0.000 0.904 44 L HN 0.148 nan 8.230 nan 0.000 0.437 45 L N -0.973 120.235 121.223 -0.025 0.000 2.728 45 L HA 0.137 4.478 4.340 0.001 0.000 0.238 45 L C 1.185 178.073 176.870 0.029 0.000 1.143 45 L CA 0.149 54.956 54.840 -0.055 0.000 0.937 45 L CB -0.227 41.692 42.059 -0.234 0.000 1.225 45 L HN 0.103 nan 8.230 nan 0.000 0.507 46 S N -1.075 114.645 115.700 0.033 0.000 2.573 46 S HA 0.434 4.905 4.470 0.001 0.000 0.277 46 S C 1.477 176.109 174.600 0.054 0.000 1.346 46 S CA 0.016 58.247 58.200 0.051 0.000 1.034 46 S CB 0.761 63.980 63.200 0.033 0.000 0.879 46 S HN 0.532 nan 8.310 nan 0.000 0.528 47 G N 0.562 109.398 108.800 0.060 0.000 2.189 47 G HA2 -0.233 3.727 3.960 0.001 0.000 0.267 47 G HA3 -0.233 3.727 3.960 0.001 0.000 0.267 47 G C -0.022 174.922 174.900 0.073 0.000 0.975 47 G CA 0.451 45.582 45.100 0.051 0.000 0.644 47 G HN 0.682 nan 8.290 nan 0.000 0.537 48 K N 0.220 120.692 120.400 0.120 0.000 2.118 48 K HA 0.498 4.819 4.320 0.001 0.000 0.254 48 K C 0.164 176.896 176.600 0.220 0.000 0.961 48 K CA -0.632 55.767 56.287 0.187 0.000 0.876 48 K CB 1.160 33.802 32.500 0.237 0.000 1.077 48 K HN 0.190 nan 8.250 nan 0.000 0.440 49 Q N 1.043 120.922 119.800 0.132 0.000 2.296 49 Q HA 0.133 4.474 4.340 0.001 0.000 0.257 49 Q C -0.335 175.451 176.000 -0.356 0.000 0.942 49 Q CA -0.082 55.699 55.803 -0.038 0.000 0.939 49 Q CB 1.635 30.349 28.738 -0.040 0.000 1.198 49 Q HN 0.544 nan 8.270 nan 0.000 0.429 50 S N 2.122 117.548 115.700 -0.456 0.000 2.565 50 S HA 0.492 4.963 4.470 0.001 0.000 0.274 50 S C -0.435 173.914 174.600 -0.420 0.000 1.309 50 S CA -0.095 57.630 58.200 -0.791 0.000 1.043 50 S CB 0.840 63.795 63.200 -0.408 0.000 0.939 50 S HN 0.575 nan 8.310 nan 0.000 0.504 51 S N 2.284 117.747 115.700 -0.396 0.000 2.565 51 S HA 0.468 4.939 4.470 0.001 0.000 0.269 51 S C -0.165 174.362 174.600 -0.122 0.000 1.153 51 S CA -0.725 57.352 58.200 -0.206 0.000 0.835 51 S CB 1.055 64.145 63.200 -0.183 0.000 1.122 51 S HN 0.672 nan 8.310 nan 0.000 0.462 52 K N 1.355 121.711 120.400 -0.074 0.000 2.365 52 K HA 0.181 4.502 4.320 0.001 0.000 0.197 52 K C 0.334 176.917 176.600 -0.028 0.000 1.042 52 K CA 0.845 57.107 56.287 -0.040 0.000 0.987 52 K CB -0.309 32.174 32.500 -0.028 0.000 0.779 52 K HN 0.522 nan 8.250 nan 0.000 0.484 53 K N -0.526 119.853 120.400 -0.035 0.000 2.526 53 K HA 0.566 4.887 4.320 0.001 0.000 0.256 53 K C 0.530 177.122 176.600 -0.012 0.000 1.035 53 K CA -0.389 55.888 56.287 -0.017 0.000 1.011 53 K CB 0.113 32.603 32.500 -0.016 0.000 1.343 53 K HN 0.042 nan 8.250 nan 0.000 0.510 54 G N 0.258 109.062 108.800 0.008 0.000 2.877 54 G HA2 -0.295 3.666 3.960 0.001 0.000 0.279 54 G HA3 -0.295 3.666 3.960 0.001 0.000 0.279 54 G C -0.467 174.468 174.900 0.058 0.000 1.431 54 G CA -0.150 44.968 45.100 0.030 0.000 0.883 54 G HN 0.716 nan 8.290 nan 0.000 0.547 55 M N -0.195 119.459 119.600 0.091 0.000 2.239 55 M HA 0.488 4.969 4.480 0.001 0.000 0.348 55 M C 0.370 176.740 176.300 0.117 0.000 1.239 55 M CA -0.610 54.747 55.300 0.096 0.000 1.114 55 M CB 0.495 33.152 32.600 0.094 0.000 1.641 55 M HN 0.813 nan 8.290 nan 0.000 0.453 56 L N 6.953 128.228 121.223 0.088 0.000 2.319 56 L HA 0.456 4.797 4.340 0.001 0.000 0.280 56 L C -1.133 175.777 176.870 0.066 0.000 1.099 56 L CA 0.346 55.239 54.840 0.088 0.000 0.828 56 L CB 0.438 42.544 42.059 0.080 0.000 1.150 56 L HN 0.627 nan 8.230 nan 0.000 0.442 57 I N 4.254 124.861 120.570 0.062 0.000 2.418 57 I HA 0.355 4.526 4.170 0.001 0.000 0.287 57 I C -0.421 175.691 176.117 -0.010 0.000 1.008 57 I CA -0.389 60.899 61.300 -0.020 0.000 1.104 57 I CB 1.629 39.576 38.000 -0.089 0.000 1.264 57 I HN 0.512 nan 8.210 nan 0.000 0.438 58 S N 7.157 122.839 115.700 -0.031 0.000 2.498 58 S HA 0.629 5.099 4.470 0.001 0.000 0.317 58 S C -0.525 174.053 174.600 -0.037 0.000 1.090 58 S CA -0.508 57.700 58.200 0.014 0.000 1.089 58 S CB 1.762 65.026 63.200 0.107 0.000 0.997 58 S HN 0.527 nan 8.310 nan 0.000 0.470 59 I N 2.560 123.118 120.570 -0.020 0.000 2.545 59 I HA 0.842 5.013 4.170 0.001 0.000 0.292 59 I C -0.073 176.048 176.117 0.008 0.000 1.040 59 I CA 0.069 61.345 61.300 -0.040 0.000 1.068 59 I CB 1.553 39.510 38.000 -0.072 0.000 1.251 59 I HN 0.808 nan 8.210 nan 0.000 0.424 60 G N 5.095 113.908 108.800 0.021 0.000 2.313 60 G HA2 0.285 4.246 3.960 0.001 0.000 0.296 60 G HA3 0.285 4.246 3.960 0.001 0.000 0.296 60 G C -2.033 172.903 174.900 0.060 0.000 1.356 60 G CA -0.783 44.341 45.100 0.040 0.000 0.833 60 G HN 0.510 nan 8.290 nan 0.000 0.552 61 E N 0.331 120.564 120.200 0.056 0.000 2.248 61 E HA 0.486 4.837 4.350 0.001 0.000 0.272 61 E C 0.199 176.846 176.600 0.077 0.000 1.008 61 E CA -0.768 55.673 56.400 0.068 0.000 0.856 61 E CB 1.067 30.795 29.700 0.046 0.000 1.120 61 E HN 0.701 nan 8.360 nan 0.000 0.397 62 K N 0.539 120.992 120.400 0.088 0.000 2.484 62 K HA 0.319 4.640 4.320 0.001 0.000 0.280 62 K C 0.853 177.484 176.600 0.051 0.000 1.013 62 K CA 0.527 56.861 56.287 0.079 0.000 1.029 62 K CB 0.185 32.727 32.500 0.069 0.000 0.902 62 K HN 0.608 nan 8.250 nan 0.000 0.481 63 G N 1.852 110.678 108.800 0.043 0.000 2.339 63 G HA2 -0.209 3.752 3.960 0.001 0.000 0.209 63 G HA3 -0.209 3.752 3.960 0.001 0.000 0.209 63 G C -0.614 174.302 174.900 0.027 0.000 1.015 63 G CA -0.020 45.097 45.100 0.028 0.000 0.635 63 G HN 0.701 nan 8.290 nan 0.000 0.499 64 D N 1.228 121.651 120.400 0.037 0.000 2.345 64 D HA 0.395 5.036 4.640 0.001 0.000 0.247 64 D C 1.686 178.010 176.300 0.039 0.000 1.108 64 D CA 0.309 54.330 54.000 0.035 0.000 0.894 64 D CB 1.273 42.098 40.800 0.041 0.000 1.203 64 D HN 0.630 nan 8.370 nan 0.000 0.430 65 K N 0.106 120.523 120.400 0.029 0.000 2.209 65 K HA -0.149 4.172 4.320 0.001 0.000 0.204 65 K C 1.397 178.021 176.600 0.039 0.000 1.048 65 K CA 1.219 57.521 56.287 0.025 0.000 0.940 65 K CB -0.075 32.434 32.500 0.015 0.000 0.729 65 K HN 0.289 nan 8.250 nan 0.000 0.451 66 S N 1.341 117.074 115.700 0.055 0.000 2.382 66 S HA -0.120 4.351 4.470 0.001 0.000 0.228 66 S C 2.026 176.715 174.600 0.147 0.000 1.027 66 S CA 1.098 59.348 58.200 0.082 0.000 0.991 66 S CB -0.558 62.685 63.200 0.072 0.000 0.823 66 S HN 0.362 nan 8.310 nan 0.000 0.469 67 V N -2.132 117.879 119.914 0.161 0.000 3.528 67 V HA 0.481 4.602 4.120 0.001 0.000 0.294 67 V C 2.004 178.227 176.094 0.215 0.000 1.404 67 V CA 0.015 62.493 62.300 0.297 0.000 1.065 67 V CB -0.612 31.367 31.823 0.260 0.000 0.904 67 V HN 0.258 nan 8.190 nan 0.000 0.435 68 R N 1.500 122.050 120.500 0.084 0.000 2.103 68 R HA -0.180 4.160 4.340 0.001 0.000 0.242 68 R C 2.237 178.511 176.300 -0.043 0.000 1.142 68 R CA 2.382 58.498 56.100 0.027 0.000 0.960 68 R CB -0.415 29.887 30.300 0.003 0.000 0.858 68 R HN 0.532 nan 8.270 nan 0.000 0.439 69 K N -1.031 119.268 120.400 -0.168 0.000 2.163 69 K HA -0.233 4.088 4.320 0.001 0.000 0.210 69 K C 1.037 177.410 176.600 -0.379 0.000 1.048 69 K CA 2.061 58.124 56.287 -0.373 0.000 0.928 69 K CB -0.233 31.812 32.500 -0.758 0.000 0.716 69 K HN 0.360 nan 8.250 nan 0.000 0.459 70 Y N -0.150 120.151 120.300 0.001 0.000 2.583 70 Y HA 0.073 4.623 4.550 0.001 0.000 0.294 70 Y C 1.880 177.729 175.900 -0.086 0.000 1.170 70 Y CA -0.003 58.067 58.100 -0.051 0.000 1.265 70 Y CB -0.135 38.337 38.460 0.021 0.000 1.119 70 Y HN 0.076 nan 8.280 nan 0.000 0.522 71 S N -0.073 115.655 115.700 0.046 0.000 2.447 71 S HA -0.153 4.318 4.470 0.001 0.000 0.233 71 S C 1.899 176.489 174.600 -0.017 0.000 1.006 71 S CA 0.631 58.846 58.200 0.026 0.000 0.957 71 S CB -0.062 63.145 63.200 0.012 0.000 0.773 71 S HN 0.494 nan 8.310 nan 0.000 0.507 72 R N 0.410 120.884 120.500 -0.043 0.000 2.189 72 R HA 0.126 4.467 4.340 0.001 0.000 0.218 72 R C 2.222 178.456 176.300 -0.109 0.000 1.074 72 R CA 1.117 57.180 56.100 -0.062 0.000 0.991 72 R CB -0.098 30.169 30.300 -0.056 0.000 0.883 72 R HN 0.474 nan 8.270 nan 0.000 0.457 73 Q N 0.137 119.814 119.800 -0.206 0.000 2.389 73 Q HA 0.090 4.431 4.340 0.001 0.000 0.204 73 Q C 0.562 176.399 176.000 -0.272 0.000 0.944 73 Q CA 0.606 56.144 55.803 -0.443 0.000 0.908 73 Q CB 0.397 28.387 28.738 -1.248 0.000 1.002 73 Q HN 0.351 nan 8.270 nan 0.000 0.493 74 I N 3.531 124.047 120.570 -0.091 0.000 2.352 74 I HA 0.141 4.312 4.170 0.001 0.000 0.290 74 I C -2.122 174.032 176.117 0.062 0.000 1.036 74 I CA -2.004 59.337 61.300 0.067 0.000 1.336 74 I CB 0.833 38.898 38.000 0.110 0.000 1.407 74 I HN -0.211 nan 8.210 nan 0.000 0.497 75 P HA -0.015 nan 4.420 nan 0.000 0.268 75 P C -0.488 176.845 177.300 0.054 0.000 1.204 75 P CA -0.141 63.017 63.100 0.096 0.000 0.768 75 P CB 0.462 32.250 31.700 0.146 0.000 0.842 76 D N 2.839 123.210 120.400 -0.049 0.000 2.801 76 D HA 0.026 4.667 4.640 0.001 0.000 0.232 76 D C -0.615 175.448 176.300 -0.394 0.000 1.128 76 D CA 0.138 54.037 54.000 -0.168 0.000 1.003 76 D CB -0.781 39.901 40.800 -0.197 0.000 1.110 76 D HN 0.300 nan 8.370 nan 0.000 0.477 77 H N 1.003 119.968 119.070 -0.174 0.000 2.771 77 H HA 0.232 4.788 4.556 0.001 0.000 0.361 77 H C -0.050 175.240 175.328 -0.064 0.000 1.108 77 H CA -0.874 55.048 56.048 -0.210 0.000 1.201 77 H CB 1.460 30.941 29.762 -0.468 0.000 1.681 77 H HN 0.067 nan 8.280 nan 0.000 0.534 78 K N 1.768 122.200 120.400 0.052 0.000 2.491 78 K HA -0.076 4.244 4.320 0.001 0.000 0.279 78 K C 0.360 177.051 176.600 0.153 0.000 1.026 78 K CA 0.793 57.127 56.287 0.080 0.000 1.070 78 K CB 0.432 32.956 32.500 0.040 0.000 0.887 78 K HN 0.727 nan 8.250 nan 0.000 0.481 79 E N -0.791 119.539 120.200 0.216 0.000 4.129 79 E HA -0.160 4.191 4.350 0.001 0.000 0.354 79 E C 0.469 177.379 176.600 0.518 0.000 0.673 79 E CA 0.555 57.181 56.400 0.377 0.000 1.347 79 E CB -1.322 28.652 29.700 0.457 0.000 1.722 79 E HN 0.838 nan 8.360 nan 0.000 0.410 80 G N 0.167 109.186 108.800 0.365 0.000 2.606 80 G HA2 0.418 4.379 3.960 0.001 0.000 0.252 80 G HA3 0.418 4.379 3.960 0.001 0.000 0.252 80 G C -0.310 174.859 174.900 0.448 0.000 1.206 80 G CA 0.450 45.774 45.100 0.373 0.000 0.861 80 G HN 0.247 nan 8.290 nan 0.000 0.561 81 Y N -1.679 118.812 120.300 0.319 0.000 2.689 81 Y HA 0.650 5.201 4.550 0.001 0.000 0.333 81 Y C -1.793 174.277 175.900 0.283 0.000 1.208 81 Y CA -2.135 56.122 58.100 0.261 0.000 1.055 81 Y CB 1.443 40.041 38.460 0.230 0.000 1.304 81 Y HN 0.675 nan 8.280 nan 0.000 0.455 82 Y N 2.735 123.187 120.300 0.253 0.000 2.391 82 Y HA 0.753 5.304 4.550 0.001 0.000 0.341 82 Y C -2.053 173.962 175.900 0.192 0.000 0.965 82 Y CA -1.753 56.424 58.100 0.128 0.000 1.067 82 Y CB 1.836 40.336 38.460 0.066 0.000 1.199 82 Y HN 0.993 nan 8.280 nan 0.000 0.450 83 L N 5.474 126.449 121.223 -0.414 0.000 2.381 83 L HA 0.831 5.172 4.340 0.001 0.000 0.268 83 L C -1.287 175.189 176.870 -0.656 0.000 0.997 83 L CA -0.348 54.241 54.840 -0.418 0.000 0.818 83 L CB 1.953 44.015 42.059 0.006 0.000 1.310 83 L HN 0.700 nan 8.230 nan 0.000 0.416 84 S N 3.280 118.657 115.700 -0.538 0.000 2.536 84 S HA 0.820 5.291 4.470 0.001 0.000 0.271 84 S C -1.756 172.755 174.600 -0.149 0.000 1.134 84 S CA -0.466 57.532 58.200 -0.336 0.000 0.897 84 S CB 1.888 64.874 63.200 -0.357 0.000 1.094 84 S HN 0.453 nan 8.310 nan 0.000 0.473 85 V N 4.876 124.760 119.914 -0.049 0.000 2.623 85 V HA 0.603 4.724 4.120 0.001 0.000 0.304 85 V C -0.794 175.311 176.094 0.018 0.000 1.054 85 V CA -0.754 61.550 62.300 0.008 0.000 0.882 85 V CB 1.603 33.463 31.823 0.062 0.000 1.002 85 V HN 1.018 nan 8.190 nan 0.000 0.424 86 N N 1.879 120.595 118.700 0.026 0.000 2.902 86 N HA 0.414 5.155 4.740 0.001 0.000 0.268 86 N C 0.381 175.913 175.510 0.037 0.000 1.450 86 N CA -0.921 52.150 53.050 0.034 0.000 0.819 86 N CB 1.064 39.577 38.487 0.042 0.000 1.540 86 N HN 0.356 nan 8.380 nan 0.000 0.545 87 E N -0.424 119.797 120.200 0.036 0.000 2.118 87 E HA -0.237 4.114 4.350 0.001 0.000 0.195 87 E C 1.200 177.824 176.600 0.041 0.000 0.992 87 E CA 1.166 57.587 56.400 0.036 0.000 0.804 87 E CB -0.004 29.715 29.700 0.031 0.000 0.741 87 E HN 0.627 nan 8.360 nan 0.000 0.458 88 K N 1.343 121.770 120.400 0.045 0.000 2.076 88 K HA -0.090 4.230 4.320 0.001 0.000 0.204 88 K C 0.559 177.192 176.600 0.055 0.000 1.051 88 K CA 1.166 57.483 56.287 0.050 0.000 0.949 88 K CB 0.324 32.857 32.500 0.054 0.000 0.726 88 K HN 0.214 nan 8.250 nan 0.000 0.443 89 E N -0.467 119.765 120.200 0.052 0.000 2.429 89 E HA 0.327 4.678 4.350 0.001 0.000 0.280 89 E C -1.249 175.358 176.600 0.011 0.000 1.068 89 E CA -0.907 55.520 56.400 0.045 0.000 0.837 89 E CB 0.962 30.704 29.700 0.069 0.000 1.357 89 E HN 0.039 nan 8.360 nan 0.000 0.455 90 I N 1.168 121.724 120.570 -0.024 0.000 2.569 90 I HA 0.489 4.660 4.170 0.001 0.000 0.296 90 I C -0.919 175.098 176.117 -0.167 0.000 1.028 90 I CA -1.336 59.905 61.300 -0.099 0.000 1.082 90 I CB 2.123 40.045 38.000 -0.131 0.000 1.264 90 I HN 0.327 nan 8.210 nan 0.000 0.429 91 V N 7.005 126.762 119.914 -0.261 0.000 2.531 91 V HA 0.474 4.595 4.120 0.001 0.000 0.301 91 V C -0.464 175.434 176.094 -0.327 0.000 1.034 91 V CA -0.474 61.629 62.300 -0.329 0.000 0.865 91 V CB 2.177 33.666 31.823 -0.557 0.000 0.995 91 V HN 0.467 nan 8.190 nan 0.000 0.424 92 L N 4.558 125.640 121.223 -0.236 0.000 2.442 92 L HA 0.814 5.155 4.340 0.001 0.000 0.261 92 L C -0.125 176.711 176.870 -0.056 0.000 1.000 92 L CA -0.331 54.394 54.840 -0.192 0.000 0.882 92 L CB 1.615 43.504 42.059 -0.284 0.000 1.207 92 L HN 0.737 nan 8.230 nan 0.000 0.443 93 A N 2.108 124.960 122.820 0.053 0.000 2.375 93 A HA 0.796 5.116 4.320 0.001 0.000 0.291 93 A C 0.094 177.814 177.584 0.227 0.000 1.160 93 A CA -0.360 51.764 52.037 0.146 0.000 0.747 93 A CB 1.176 20.303 19.000 0.212 0.000 1.170 93 A HN 0.613 nan 8.150 nan 0.000 0.458 94 G N 0.679 109.588 108.800 0.181 0.000 2.425 94 G HA2 0.364 4.325 3.960 0.001 0.000 0.302 94 G HA3 0.364 4.325 3.960 0.001 0.000 0.302 94 G C 0.608 175.622 174.900 0.189 0.000 1.159 94 G CA -0.328 44.909 45.100 0.227 0.000 0.865 94 G HN 0.711 nan 8.290 nan 0.000 0.515 95 N N -0.286 118.537 118.700 0.205 0.000 2.244 95 N HA -0.040 4.701 4.740 0.001 0.000 0.183 95 N C 0.292 175.862 175.510 0.101 0.000 1.016 95 N CA 1.697 54.829 53.050 0.138 0.000 0.866 95 N CB 0.150 38.715 38.487 0.132 0.000 0.980 95 N HN 0.734 nan 8.380 nan 0.000 0.430 96 D N -2.836 117.629 120.400 0.108 0.000 2.752 96 D HA 0.167 4.808 4.640 0.001 0.000 0.313 96 D C 0.164 176.499 176.300 0.058 0.000 1.225 96 D CA -0.625 53.417 54.000 0.069 0.000 0.976 96 D CB 0.174 41.012 40.800 0.063 0.000 1.443 96 D HN -0.068 nan 8.370 nan 0.000 0.515 97 E N -0.746 119.467 120.200 0.022 0.000 2.152 97 E HA -0.101 4.250 4.350 0.001 0.000 0.192 97 E C 1.748 178.330 176.600 -0.030 0.000 0.983 97 E CA 0.526 56.921 56.400 -0.008 0.000 0.818 97 E CB 0.121 29.794 29.700 -0.044 0.000 0.758 97 E HN 0.311 nan 8.360 nan 0.000 0.467 98 R N 0.630 121.097 120.500 -0.055 0.000 2.092 98 R HA -0.094 4.247 4.340 0.001 0.000 0.231 98 R C 2.425 178.586 176.300 -0.231 0.000 1.119 98 R CA 1.340 57.317 56.100 -0.205 0.000 0.970 98 R CB -0.369 29.830 30.300 -0.168 0.000 0.864 98 R HN 0.197 nan 8.270 nan 0.000 0.440 99 G N -0.630 108.198 108.800 0.048 0.000 2.442 99 G HA2 -0.263 3.698 3.960 0.001 0.000 0.219 99 G HA3 -0.263 3.698 3.960 0.001 0.000 0.219 99 G C 1.263 176.258 174.900 0.157 0.000 1.141 99 G CA 1.382 46.639 45.100 0.262 0.000 0.763 99 G HN 0.363 nan 8.290 nan 0.000 0.554 100 T N -0.341 114.259 114.554 0.077 0.000 2.788 100 T HA -0.167 4.184 4.350 0.001 0.000 0.268 100 T C 1.994 176.680 174.700 -0.024 0.000 1.044 100 T CA 1.230 63.345 62.100 0.026 0.000 1.139 100 T CB -0.306 68.581 68.868 0.031 0.000 0.867 100 T HN 0.376 nan 8.240 nan 0.000 0.454 101 Y N 0.659 120.865 120.300 -0.156 0.000 2.293 101 Y HA -0.106 4.445 4.550 0.001 0.000 0.291 101 Y C 1.892 177.737 175.900 -0.092 0.000 1.137 101 Y CA 0.819 58.834 58.100 -0.142 0.000 1.202 101 Y CB -0.284 38.067 38.460 -0.183 0.000 0.990 101 Y HN 0.159 nan 8.280 nan 0.000 0.537 102 Y N -0.542 119.693 120.300 -0.108 0.000 2.337 102 Y HA 0.020 4.571 4.550 0.001 0.000 0.293 102 Y C 2.592 177.989 175.900 -0.838 0.000 1.123 102 Y CA 0.269 58.161 58.100 -0.345 0.000 1.201 102 Y CB -1.404 37.035 38.460 -0.034 0.000 1.011 102 Y HN 0.211 nan 8.280 nan 0.000 0.545 103 A N 0.172 122.466 122.820 -0.877 0.000 1.892 103 A HA -0.174 4.147 4.320 0.001 0.000 0.218 103 A C 2.229 179.564 177.584 -0.415 0.000 1.188 103 A CA 1.585 53.067 52.037 -0.925 0.000 0.631 103 A CB -0.924 17.825 19.000 -0.419 0.000 0.822 103 A HN 0.334 nan 8.150 nan 0.000 0.447 104 L N -0.583 120.456 121.223 -0.307 0.000 2.217 104 L HA -0.099 4.242 4.340 0.001 0.000 0.211 104 L C 2.515 179.268 176.870 -0.195 0.000 1.107 104 L CA 1.278 56.006 54.840 -0.186 0.000 0.783 104 L CB -1.103 40.840 42.059 -0.194 0.000 0.919 104 L HN 0.479 nan 8.230 nan 0.000 0.442 105 Q N -0.987 118.622 119.800 -0.318 0.000 2.187 105 Q HA -0.067 4.274 4.340 0.001 0.000 0.199 105 Q C 2.113 177.977 176.000 -0.227 0.000 0.957 105 Q CA 1.225 56.854 55.803 -0.291 0.000 0.857 105 Q CB -0.354 28.189 28.738 -0.325 0.000 0.929 105 Q HN 0.422 nan 8.270 nan 0.000 0.453 106 T N 1.176 115.596 114.554 -0.222 0.000 2.812 106 T HA -0.091 4.260 4.350 0.001 0.000 0.264 106 T C 1.482 176.151 174.700 -0.053 0.000 1.042 106 T CA 0.810 62.833 62.100 -0.129 0.000 1.140 106 T CB -0.378 68.463 68.868 -0.044 0.000 0.870 106 T HN 0.192 nan 8.240 nan 0.000 0.445 107 F N 2.649 122.492 119.950 -0.178 0.000 2.065 107 F HA -0.130 4.398 4.527 0.001 0.000 0.298 107 F C 2.517 178.239 175.800 -0.130 0.000 1.112 107 F CA 1.163 59.077 58.000 -0.144 0.000 1.212 107 F CB -0.956 37.949 39.000 -0.157 0.000 0.975 107 F HN 0.155 nan 8.300 nan 0.000 0.476 108 A N -0.093 122.638 122.820 -0.147 0.000 1.958 108 A HA -0.313 4.007 4.320 0.001 0.000 0.221 108 A C 2.089 179.540 177.584 -0.223 0.000 1.178 108 A CA 2.205 54.112 52.037 -0.217 0.000 0.642 108 A CB -0.967 17.957 19.000 -0.127 0.000 0.816 108 A HN 0.693 nan 8.150 nan 0.000 0.453 109 Q N -0.695 118.997 119.800 -0.181 0.000 2.230 109 Q HA 0.053 4.393 4.340 0.001 0.000 0.202 109 Q C 1.963 177.866 176.000 -0.161 0.000 0.963 109 Q CA 0.962 56.677 55.803 -0.147 0.000 0.866 109 Q CB -0.241 28.425 28.738 -0.120 0.000 0.931 109 Q HN 0.688 nan 8.270 nan 0.000 0.452 110 L N 0.379 121.475 121.223 -0.211 0.000 2.109 110 L HA -0.060 4.281 4.340 0.001 0.000 0.207 110 L C 0.928 177.644 176.870 -0.256 0.000 1.086 110 L CA 0.000 54.714 54.840 -0.210 0.000 0.760 110 L CB -0.169 41.761 42.059 -0.215 0.000 0.910 110 L HN 0.248 nan 8.230 nan 0.000 0.437 111 L N 1.166 122.165 121.223 -0.373 0.000 2.418 111 L HA 0.190 4.530 4.340 0.001 0.000 0.274 111 L C -0.273 176.475 176.870 -0.203 0.000 1.135 111 L CA 0.699 55.333 54.840 -0.343 0.000 0.870 111 L CB 0.094 41.878 42.059 -0.459 0.000 1.154 111 L HN -0.039 nan 8.230 nan 0.000 0.462 112 K N 3.543 123.854 120.400 -0.149 0.000 2.553 112 K HA 0.302 4.623 4.320 0.001 0.000 0.250 112 K C -0.935 175.619 176.600 -0.076 0.000 0.953 112 K CA -0.632 55.594 56.287 -0.101 0.000 0.800 112 K CB 1.251 33.700 32.500 -0.085 0.000 1.243 112 K HN 0.628 nan 8.250 nan 0.000 0.435 113 D N 2.510 122.872 120.400 -0.063 0.000 2.701 113 D HA -0.206 4.434 4.640 0.001 0.000 0.235 113 D C 0.752 177.025 176.300 -0.044 0.000 1.155 113 D CA 2.227 56.199 54.000 -0.047 0.000 0.649 113 D CB -1.001 39.777 40.800 -0.037 0.000 1.050 113 D HN 1.014 nan 8.370 nan 0.000 0.425 114 G N -1.416 107.352 108.800 -0.054 0.000 2.195 114 G HA2 -0.361 3.600 3.960 0.001 0.000 0.246 114 G HA3 -0.361 3.600 3.960 0.001 0.000 0.246 114 G C 0.373 175.242 174.900 -0.051 0.000 0.984 114 G CA 0.562 45.636 45.100 -0.045 0.000 0.633 114 G HN 0.531 nan 8.290 nan 0.000 0.525 115 K N -0.535 119.825 120.400 -0.067 0.000 2.328 115 K HA 0.852 5.173 4.320 0.001 0.000 0.246 115 K C -0.405 176.139 176.600 -0.093 0.000 0.955 115 K CA -0.751 55.499 56.287 -0.062 0.000 0.817 115 K CB 2.043 34.517 32.500 -0.044 0.000 1.208 115 K HN 0.118 nan 8.250 nan 0.000 0.432 116 L N 2.829 124.007 121.223 -0.074 0.000 2.370 116 L HA 0.585 4.925 4.340 0.001 0.000 0.266 116 L C -2.360 174.483 176.870 -0.045 0.000 1.002 116 L CA -2.119 52.669 54.840 -0.088 0.000 0.818 116 L CB 2.298 44.315 42.059 -0.070 0.000 1.325 116 L HN 0.491 nan 8.230 nan 0.000 0.418 117 P HA 0.107 nan 4.420 nan 0.000 0.279 117 P C -1.173 176.125 177.300 -0.004 0.000 1.252 117 P CA -0.525 62.563 63.100 -0.021 0.000 0.811 117 P CB 0.932 32.617 31.700 -0.024 0.000 1.035 118 E N 1.114 121.317 120.200 0.004 0.000 2.166 118 E HA 0.323 4.674 4.350 0.001 0.000 0.279 118 E C -0.372 176.236 176.600 0.013 0.000 1.095 118 E CA -0.442 55.966 56.400 0.013 0.000 0.888 118 E CB 0.100 29.811 29.700 0.017 0.000 1.041 118 E HN 0.290 nan 8.360 nan 0.000 0.414 119 V N 0.840 120.761 119.914 0.012 0.000 3.206 119 V HA 0.671 4.792 4.120 0.001 0.000 0.305 119 V C -0.988 175.108 176.094 0.004 0.000 1.257 119 V CA -1.048 61.259 62.300 0.011 0.000 1.057 119 V CB 2.032 33.859 31.823 0.007 0.000 1.075 119 V HN 0.691 nan 8.190 nan 0.000 0.443 120 E N 0.541 120.749 120.200 0.013 0.000 2.291 120 E HA 0.763 5.114 4.350 0.001 0.000 0.276 120 E C -1.914 174.706 176.600 0.033 0.000 0.896 120 E CA -0.534 55.873 56.400 0.012 0.000 0.774 120 E CB 2.233 31.985 29.700 0.088 0.000 1.227 120 E HN 0.825 nan 8.360 nan 0.000 0.413 121 I N 3.552 124.123 120.570 0.003 0.000 2.582 121 I HA 0.408 4.578 4.170 0.001 0.000 0.292 121 I C -0.940 175.212 176.117 0.059 0.000 1.066 121 I CA -0.801 60.517 61.300 0.030 0.000 1.053 121 I CB 2.061 40.090 38.000 0.050 0.000 1.241 121 I HN 0.312 nan 8.210 nan 0.000 0.421 122 K N 4.318 124.744 120.400 0.045 0.000 2.426 122 K HA 0.615 4.936 4.320 0.001 0.000 0.254 122 K C -1.542 175.000 176.600 -0.096 0.000 0.936 122 K CA -0.817 55.487 56.287 0.028 0.000 0.801 122 K CB 2.317 34.895 32.500 0.130 0.000 1.139 122 K HN 0.347 nan 8.250 nan 0.000 0.424 123 D N 1.614 121.862 120.400 -0.253 0.000 2.655 123 D HA 0.493 5.134 4.640 0.001 0.000 0.229 123 D C -1.714 174.533 176.300 -0.088 0.000 1.229 123 D CA -0.241 53.583 54.000 -0.293 0.000 0.807 123 D CB 1.434 41.960 40.800 -0.457 0.000 1.514 123 D HN 0.449 nan 8.370 nan 0.000 0.444 124 Y N -1.786 118.397 120.300 -0.196 0.000 2.810 124 Y HA 0.549 5.100 4.550 0.001 0.000 0.355 124 Y C -3.114 171.994 175.900 -1.321 0.000 1.211 124 Y CA -1.717 56.100 58.100 -0.471 0.000 1.112 124 Y CB 0.663 38.892 38.460 -0.384 0.000 1.383 124 Y HN 0.050 nan 8.280 nan 0.000 0.458 125 P HA 0.302 nan 4.420 nan 0.000 0.284 125 P C -0.355 176.559 177.300 -0.643 0.000 1.258 125 P CA -0.315 61.881 63.100 -1.506 0.000 0.824 125 P CB 2.267 33.378 31.700 -0.981 0.000 1.038 126 S N 0.294 115.663 115.700 -0.551 0.000 2.478 126 S HA 0.097 4.567 4.470 0.001 0.000 0.222 126 S C 0.829 175.289 174.600 -0.234 0.000 1.008 126 S CA 0.228 58.239 58.200 -0.314 0.000 0.928 126 S CB 0.092 63.103 63.200 -0.315 0.000 0.781 126 S HN 0.314 nan 8.310 nan 0.000 0.518 127 V N 2.043 121.805 119.914 -0.253 0.000 2.495 127 V HA 0.416 4.537 4.120 0.001 0.000 0.298 127 V C 0.883 176.876 176.094 -0.168 0.000 1.031 127 V CA -0.759 61.435 62.300 -0.176 0.000 0.871 127 V CB 1.881 33.612 31.823 -0.153 0.000 0.988 127 V HN 0.062 nan 8.190 nan 0.000 0.432 128 R N 3.906 124.287 120.500 -0.198 0.000 2.062 128 R HA -0.017 4.323 4.340 0.001 0.000 0.231 128 R C -0.110 175.953 176.300 -0.395 0.000 1.136 128 R CA 1.625 57.517 56.100 -0.346 0.000 0.948 128 R CB -0.159 29.844 30.300 -0.494 0.000 0.845 128 R HN 0.583 nan 8.270 nan 0.000 0.430 129 Y N 0.280 120.580 120.300 -0.001 0.000 2.341 129 Y HA 0.547 5.098 4.550 0.001 0.000 0.337 129 Y C -0.413 175.469 175.900 -0.029 0.000 1.014 129 Y CA -0.873 57.232 58.100 0.009 0.000 1.111 129 Y CB 1.579 40.049 38.460 0.016 0.000 1.194 129 Y HN -0.079 nan 8.280 nan 0.000 0.462 130 R N 1.856 122.482 120.500 0.211 0.000 2.510 130 R HA 0.728 5.069 4.340 0.001 0.000 0.287 130 R C -0.263 176.115 176.300 0.129 0.000 1.084 130 R CA -0.685 55.508 56.100 0.154 0.000 0.934 130 R CB 2.132 32.514 30.300 0.136 0.000 1.201 130 R HN 0.933 nan 8.270 nan 0.000 0.431 131 G N 0.795 109.647 108.800 0.088 0.000 2.513 131 G HA2 0.267 4.228 3.960 0.001 0.000 0.182 131 G HA3 0.267 4.228 3.960 0.001 0.000 0.182 131 G C -1.802 173.058 174.900 -0.066 0.000 1.190 131 G CA -0.474 44.594 45.100 -0.054 0.000 0.987 131 G HN 0.314 nan 8.290 nan 0.000 0.479 132 V N -0.017 119.809 119.914 -0.145 0.000 2.789 132 V HA 0.716 4.837 4.120 0.001 0.000 0.311 132 V C -0.589 175.406 176.094 -0.165 0.000 1.073 132 V CA -0.723 61.524 62.300 -0.089 0.000 0.921 132 V CB 1.672 33.503 31.823 0.015 0.000 1.009 132 V HN 1.256 nan 8.190 nan 0.000 0.426 133 V N 3.842 123.551 119.914 -0.342 0.000 2.334 133 V HA 0.461 4.582 4.120 0.001 0.000 0.281 133 V C 0.261 175.974 176.094 -0.635 0.000 1.016 133 V CA -0.287 61.669 62.300 -0.573 0.000 0.832 133 V CB 1.341 32.616 31.823 -0.913 0.000 0.999 133 V HN 1.036 nan 8.190 nan 0.000 0.439 134 E N 4.988 124.781 120.200 -0.677 0.000 1.795 134 E HA 0.307 4.658 4.350 0.001 0.000 0.261 134 E C 0.786 176.783 176.600 -1.006 0.000 1.238 134 E CA 0.527 56.381 56.400 -0.911 0.000 1.001 134 E CB 0.063 29.180 29.700 -0.970 0.000 1.065 134 E HN 0.942 nan 8.360 nan 0.000 0.418 135 G N 4.506 112.786 108.800 -0.866 0.000 4.238 135 G HA2 0.114 4.075 3.960 0.001 0.000 0.292 135 G HA3 0.114 4.075 3.960 0.001 0.000 0.292 135 G C -0.294 174.312 174.900 -0.488 0.000 1.036 135 G CA -0.463 44.241 45.100 -0.659 0.000 0.812 135 G HN 0.430 nan 8.290 nan 0.000 0.489 136 F N -0.678 119.031 119.950 -0.401 0.000 2.370 136 F HA 0.782 5.309 4.527 0.001 0.000 0.319 136 F C -0.220 175.355 175.800 -0.375 0.000 1.129 136 F CA -2.677 55.143 58.000 -0.299 0.000 1.109 136 F CB 0.385 39.242 39.000 -0.240 0.000 1.262 136 F HN -0.018 nan 8.300 nan 0.000 0.534 137 Y N 1.017 121.392 120.300 0.125 0.000 2.346 137 Y HA 0.516 5.067 4.550 0.001 0.000 0.330 137 Y C 0.938 176.988 175.900 0.250 0.000 1.178 137 Y CA 0.656 58.807 58.100 0.086 0.000 1.331 137 Y CB 0.765 39.217 38.460 -0.013 0.000 1.253 137 Y HN 1.102 nan 8.280 nan 0.000 0.529 138 G N 0.380 109.383 108.800 0.338 0.000 2.343 138 G HA2 -0.107 3.854 3.960 0.001 0.000 0.562 138 G HA3 -0.107 3.854 3.960 0.001 0.000 0.562 138 G C -1.012 174.054 174.900 0.277 0.000 1.269 138 G CA -1.104 44.170 45.100 0.290 0.000 1.011 138 G HN 0.505 nan 8.290 nan 0.000 0.498 139 T N 3.604 118.299 114.554 0.234 0.000 2.736 139 T HA 0.400 4.751 4.350 0.001 0.000 0.275 139 T C -1.877 173.018 174.700 0.324 0.000 0.962 139 T CA 0.365 62.601 62.100 0.227 0.000 1.214 139 T CB 0.425 69.403 68.868 0.185 0.000 0.904 139 T HN 0.477 nan 8.240 nan 0.000 0.529 140 P HA -0.026 nan 4.420 nan 0.000 0.267 140 P C 0.119 177.635 177.300 0.360 0.000 1.195 140 P CA -0.455 62.726 63.100 0.135 0.000 0.773 140 P CB 0.388 32.122 31.700 0.056 0.000 0.837 141 W N 1.512 122.962 121.300 0.250 0.000 2.274 141 W HA 0.033 4.694 4.660 0.002 0.000 0.345 141 W C 1.091 177.711 176.519 0.168 0.000 1.265 141 W CA -0.094 57.372 57.345 0.201 0.000 1.293 141 W CB -0.893 28.682 29.460 0.192 0.000 1.175 141 W HN 0.337 nan 8.180 nan 0.000 0.577 142 S N 0.991 116.899 115.700 0.346 0.000 2.614 142 S HA 0.030 4.501 4.470 0.001 0.000 0.265 142 S C 0.998 175.744 174.600 0.242 0.000 1.303 142 S CA 0.011 58.360 58.200 0.249 0.000 1.000 142 S CB 1.073 64.365 63.200 0.154 0.000 0.935 142 S HN 0.559 nan 8.310 nan 0.000 0.551 143 H N 1.029 120.181 119.070 0.135 0.000 2.319 143 H HA -0.082 4.475 4.556 0.001 0.000 0.299 143 H C 2.068 177.421 175.328 0.041 0.000 1.092 143 H CA 2.511 58.621 56.048 0.102 0.000 1.302 143 H CB -0.122 29.685 29.762 0.073 0.000 1.373 143 H HN 0.590 nan 8.280 nan 0.000 0.497 144 Q N -0.080 119.728 119.800 0.014 0.000 2.124 144 Q HA -0.055 4.286 4.340 0.001 0.000 0.202 144 Q C 2.542 178.445 176.000 -0.160 0.000 0.977 144 Q CA 1.144 56.890 55.803 -0.094 0.000 0.850 144 Q CB -0.599 28.122 28.738 -0.027 0.000 0.901 144 Q HN 0.627 nan 8.270 nan 0.000 0.429 145 A N 0.945 123.685 122.820 -0.133 0.000 1.972 145 A HA -0.189 4.132 4.320 0.001 0.000 0.219 145 A C 2.135 179.537 177.584 -0.303 0.000 1.169 145 A CA 1.359 53.245 52.037 -0.251 0.000 0.635 145 A CB -0.310 18.516 19.000 -0.290 0.000 0.810 145 A HN 0.245 nan 8.150 nan 0.000 0.446 146 R N -0.812 119.578 120.500 -0.183 0.000 2.127 146 R HA 0.172 4.513 4.340 0.001 0.000 0.217 146 R C 1.940 178.058 176.300 -0.303 0.000 1.074 146 R CA 0.795 56.793 56.100 -0.171 0.000 0.991 146 R CB -0.344 29.987 30.300 0.053 0.000 0.895 146 R HN 0.481 nan 8.270 nan 0.000 0.450 147 L N 0.012 121.038 121.223 -0.329 0.000 2.079 147 L HA -0.194 4.146 4.340 0.001 0.000 0.210 147 L C 2.559 179.272 176.870 -0.261 0.000 1.081 147 L CA 1.406 56.070 54.840 -0.294 0.000 0.752 147 L CB -0.442 41.441 42.059 -0.294 0.000 0.896 147 L HN 0.216 nan 8.230 nan 0.000 0.433 148 S N -1.243 114.293 115.700 -0.273 0.000 2.414 148 S HA -0.122 4.349 4.470 0.001 0.000 0.227 148 S C 1.984 176.395 174.600 -0.315 0.000 1.022 148 S CA 0.501 58.553 58.200 -0.248 0.000 0.958 148 S CB 0.016 63.069 63.200 -0.245 0.000 0.797 148 S HN 0.354 nan 8.310 nan 0.000 0.493 149 Q N 0.934 120.457 119.800 -0.461 0.000 2.084 149 Q HA -0.016 4.325 4.340 0.001 0.000 0.202 149 Q C 2.252 177.609 176.000 -1.073 0.000 0.978 149 Q CA 1.284 56.668 55.803 -0.700 0.000 0.844 149 Q CB -0.559 27.768 28.738 -0.685 0.000 0.898 149 Q HN 0.565 nan 8.270 nan 0.000 0.426 150 L N 0.315 121.095 121.223 -0.739 0.000 2.141 150 L HA -0.171 4.170 4.340 0.001 0.000 0.209 150 L C 2.278 179.011 176.870 -0.227 0.000 1.094 150 L CA 1.105 55.636 54.840 -0.515 0.000 0.763 150 L CB -0.257 41.652 42.059 -0.251 0.000 0.908 150 L HN 0.096 nan 8.230 nan 0.000 0.437 151 K N -0.702 119.598 120.400 -0.166 0.000 2.155 151 K HA -0.124 4.197 4.320 0.001 0.000 0.203 151 K C 1.948 178.577 176.600 0.049 0.000 1.052 151 K CA 1.065 57.335 56.287 -0.029 0.000 0.948 151 K CB -0.164 32.321 32.500 -0.026 0.000 0.728 151 K HN 0.041 nan 8.250 nan 0.000 0.448 152 F N 0.425 120.282 119.950 -0.154 0.000 2.234 152 F HA -0.191 4.337 4.527 0.001 0.000 0.299 152 F C 1.494 177.382 175.800 0.148 0.000 1.087 152 F CA 1.235 59.218 58.000 -0.028 0.000 1.340 152 F CB 0.010 38.974 39.000 -0.060 0.000 1.031 152 F HN -0.015 nan 8.300 nan 0.000 0.500 153 Y N 0.137 120.527 120.300 0.150 0.000 2.089 153 Y HA -0.011 4.540 4.550 0.002 0.000 0.282 153 Y C 2.835 178.777 175.900 0.070 0.000 1.139 153 Y CA 0.578 58.735 58.100 0.095 0.000 1.123 153 Y CB -1.719 36.833 38.460 0.154 0.000 0.980 153 Y HN 0.049 nan 8.280 nan 0.000 0.493 154 G N 0.120 109.090 108.800 0.283 0.000 2.503 154 G HA2 -0.312 3.649 3.960 0.001 0.000 0.221 154 G HA3 -0.312 3.649 3.960 0.001 0.000 0.221 154 G C 1.770 176.787 174.900 0.196 0.000 1.131 154 G CA 1.314 46.625 45.100 0.352 0.000 0.756 154 G HN 0.361 nan 8.290 nan 0.000 0.572 155 K N -0.059 120.348 120.400 0.012 0.000 2.217 155 K HA 0.027 4.348 4.320 0.001 0.000 0.202 155 K C 1.376 177.816 176.600 -0.265 0.000 1.051 155 K CA 0.638 56.842 56.287 -0.139 0.000 0.952 155 K CB 0.045 32.450 32.500 -0.159 0.000 0.736 155 K HN 0.197 nan 8.250 nan 0.000 0.453 156 N N 0.953 119.476 118.700 -0.295 0.000 2.235 156 N HA 0.039 4.779 4.740 0.001 0.000 0.209 156 N C -0.799 174.478 175.510 -0.388 0.000 1.122 156 N CA 0.209 53.012 53.050 -0.411 0.000 0.845 156 N CB 0.748 38.936 38.487 -0.499 0.000 1.004 156 N HN 0.062 nan 8.380 nan 0.000 0.499 157 K N 0.174 120.364 120.400 -0.350 0.000 3.071 157 K HA -0.177 4.144 4.320 0.001 0.000 0.265 157 K C -0.393 176.110 176.600 -0.161 0.000 1.060 157 K CA 0.575 56.511 56.287 -0.584 0.000 0.767 157 K CB -1.645 30.054 32.500 -1.335 0.000 1.241 157 K HN 0.284 nan 8.250 nan 0.000 0.486 158 M N 1.643 121.271 119.600 0.046 0.000 2.188 158 M HA 0.088 4.569 4.480 0.001 0.000 0.357 158 M C 1.181 177.638 176.300 0.261 0.000 1.204 158 M CA -0.282 55.091 55.300 0.122 0.000 1.095 158 M CB 0.738 33.352 32.600 0.024 0.000 1.604 158 M HN 0.208 nan 8.290 nan 0.000 0.464 159 N N 0.540 119.417 118.700 0.296 0.000 2.230 159 N HA 0.079 4.820 4.740 0.001 0.000 0.202 159 N C -0.871 174.819 175.510 0.300 0.000 1.119 159 N CA -0.177 53.086 53.050 0.356 0.000 0.851 159 N CB 0.534 39.272 38.487 0.419 0.000 0.990 159 N HN 0.396 nan 8.380 nan 0.000 0.497 160 T N 0.415 115.110 114.554 0.235 0.000 2.921 160 T HA 0.252 4.603 4.350 0.001 0.000 0.297 160 T C -2.162 172.636 174.700 0.164 0.000 1.013 160 T CA -0.491 61.730 62.100 0.202 0.000 0.990 160 T CB 1.459 70.453 68.868 0.209 0.000 1.023 160 T HN 0.162 nan 8.240 nan 0.000 0.447 161 Y N 3.905 124.218 120.300 0.022 0.000 2.327 161 Y HA 0.605 5.156 4.550 0.002 0.000 0.325 161 Y C -1.388 174.392 175.900 -0.200 0.000 0.999 161 Y CA -1.532 56.546 58.100 -0.037 0.000 1.195 161 Y CB 0.578 39.112 38.460 0.123 0.000 1.132 161 Y HN 0.610 nan 8.280 nan 0.000 0.455 162 I N 7.827 128.026 120.570 -0.618 0.000 2.291 162 I HA 0.128 4.299 4.170 0.001 0.000 0.290 162 I C -0.819 174.703 176.117 -0.992 0.000 1.050 162 I CA -0.847 60.063 61.300 -0.650 0.000 1.245 162 I CB 0.420 38.224 38.000 -0.328 0.000 1.405 162 I HN 0.622 nan 8.210 nan 0.000 0.478 163 Y N 6.134 125.672 120.300 -1.269 0.000 2.480 163 Y HA 0.453 5.003 4.550 0.001 0.000 0.341 163 Y C 0.767 176.157 175.900 -0.850 0.000 1.031 163 Y CA -0.136 57.340 58.100 -1.040 0.000 1.295 163 Y CB 0.775 38.828 38.460 -0.677 0.000 1.162 163 Y HN 0.595 nan 8.280 nan 0.000 0.523 164 G N 7.569 115.679 108.800 -1.150 0.000 4.677 164 G HA2 0.156 4.117 3.960 0.001 0.000 0.225 164 G HA3 0.156 4.117 3.960 0.001 0.000 0.225 164 G C -3.346 170.767 174.900 -1.312 0.000 0.876 164 G CA -0.881 43.388 45.100 -1.385 0.000 0.652 164 G HN 0.420 nan 8.290 nan 0.000 0.481 165 P HA 0.157 nan 4.420 nan 0.000 0.271 165 P C 0.809 177.754 177.300 -0.592 0.000 1.226 165 P CA -0.193 62.313 63.100 -0.989 0.000 0.765 165 P CB 1.811 33.008 31.700 -0.839 0.000 0.835 166 K N 1.909 121.947 120.400 -0.604 0.000 2.152 166 K HA -0.131 4.190 4.320 0.001 0.000 0.206 166 K C 0.564 177.058 176.600 -0.177 0.000 1.048 166 K CA 1.553 57.553 56.287 -0.479 0.000 0.933 166 K CB -0.290 31.571 32.500 -1.066 0.000 0.721 166 K HN 0.482 nan 8.250 nan 0.000 0.447 167 D N 0.979 121.302 120.400 -0.130 0.000 2.342 167 D HA -0.038 4.603 4.640 0.001 0.000 0.221 167 D C -0.181 176.155 176.300 0.060 0.000 1.101 167 D CA 0.091 54.102 54.000 0.019 0.000 0.837 167 D CB 0.013 40.859 40.800 0.077 0.000 0.938 167 D HN 0.102 nan 8.370 nan 0.000 0.508 168 D N 1.421 121.863 120.400 0.070 0.000 2.339 168 D HA 0.061 4.702 4.640 0.001 0.000 0.241 168 D C -1.540 174.886 176.300 0.210 0.000 1.183 168 D CA -2.037 52.087 54.000 0.208 0.000 0.859 168 D CB 1.806 42.775 40.800 0.280 0.000 1.067 168 D HN -0.058 nan 8.370 nan 0.000 0.484 169 P HA -0.101 nan 4.420 nan 0.000 0.229 169 P C 0.595 177.749 177.300 -0.243 0.000 1.160 169 P CA 0.685 63.722 63.100 -0.105 0.000 0.777 169 P CB 0.005 31.556 31.700 -0.250 0.000 0.814 170 Y N -1.458 118.896 120.300 0.089 0.000 2.523 170 Y HA -0.009 4.542 4.550 0.002 0.000 0.279 170 Y C 2.642 178.716 175.900 0.291 0.000 1.139 170 Y CA 0.778 58.835 58.100 -0.072 0.000 1.296 170 Y CB -0.853 37.078 38.460 -0.882 0.000 1.045 170 Y HN 0.149 nan 8.280 nan 0.000 0.538 171 H N -1.836 117.472 119.070 0.396 0.000 2.516 171 H HA 0.229 4.785 4.556 0.001 0.000 0.284 171 H C 1.265 176.706 175.328 0.188 0.000 0.999 171 H CA 0.787 57.018 56.048 0.304 0.000 1.303 171 H CB 0.463 30.314 29.762 0.149 0.000 1.452 171 H HN 0.061 nan 8.280 nan 0.000 0.530 172 S N -1.002 114.730 115.700 0.053 0.000 3.081 172 S HA 0.699 5.170 4.470 0.001 0.000 0.316 172 S C -0.756 173.974 174.600 0.217 0.000 1.089 172 S CA -0.401 57.836 58.200 0.061 0.000 0.897 172 S CB 0.302 63.542 63.200 0.067 0.000 1.358 172 S HN 0.562 nan 8.310 nan 0.000 0.678 173 A N 2.067 125.016 122.820 0.215 0.000 2.567 173 A HA 0.368 4.689 4.320 0.001 0.000 0.240 173 A C -1.911 175.711 177.584 0.063 0.000 1.053 173 A CA -0.297 51.839 52.037 0.165 0.000 0.755 173 A CB -0.406 18.675 19.000 0.135 0.000 0.978 173 A HN 0.644 nan 8.150 nan 0.000 0.507 174 P HA 0.109 nan 4.420 nan 0.000 0.277 174 P C 0.128 177.321 177.300 -0.178 0.000 1.260 174 P CA 0.158 63.230 63.100 -0.047 0.000 0.878 174 P CB 0.468 32.123 31.700 -0.075 0.000 1.319 175 N N 0.569 119.150 118.700 -0.199 0.000 2.327 175 N HA 0.021 4.762 4.740 0.001 0.000 0.231 175 N C 1.277 176.703 175.510 -0.140 0.000 1.130 175 N CA -0.188 52.695 53.050 -0.280 0.000 0.845 175 N CB -0.595 37.611 38.487 -0.468 0.000 1.073 175 N HN 0.423 nan 8.380 nan 0.000 0.496 176 W N 0.798 122.070 121.300 -0.047 0.000 2.364 176 W HA -0.096 4.565 4.660 0.001 0.000 0.281 176 W C 0.761 177.323 176.519 0.071 0.000 1.219 176 W CA 0.129 57.500 57.345 0.044 0.000 1.220 176 W CB -0.617 28.833 29.460 -0.017 0.000 1.127 176 W HN 0.057 nan 8.180 nan 0.000 0.556 177 R N 0.157 120.333 120.500 -0.539 0.000 2.236 177 R HA 0.048 4.389 4.340 0.001 0.000 0.208 177 R C 0.328 176.529 176.300 -0.164 0.000 1.036 177 R CA 0.245 56.029 56.100 -0.527 0.000 1.001 177 R CB -0.312 29.452 30.300 -0.894 0.000 0.896 177 R HN 0.030 nan 8.270 nan 0.000 0.464 178 L N 1.841 123.018 121.223 -0.075 0.000 2.343 178 L HA 0.330 4.671 4.340 0.001 0.000 0.275 178 L C -2.220 174.699 176.870 0.083 0.000 1.056 178 L CA -2.488 52.367 54.840 0.025 0.000 0.804 178 L CB 1.241 43.348 42.059 0.080 0.000 1.203 178 L HN -0.147 nan 8.230 nan 0.000 0.440 179 P HA 0.136 nan 4.420 nan 0.000 0.284 179 P C -1.057 176.117 177.300 -0.208 0.000 1.253 179 P CA -0.410 62.659 63.100 -0.052 0.000 0.800 179 P CB 0.277 31.964 31.700 -0.020 0.000 0.961 180 Y N 2.797 122.909 120.300 -0.314 0.000 2.903 180 Y HA -0.017 4.533 4.550 0.001 0.000 0.338 180 Y C -1.209 174.439 175.900 -0.420 0.000 1.265 180 Y CA -0.492 57.247 58.100 -0.602 0.000 1.532 180 Y CB -1.216 37.010 38.460 -0.391 0.000 1.293 180 Y HN 0.378 nan 8.280 nan 0.000 0.609 181 P HA -0.014 nan 4.420 nan 0.000 0.273 181 P C 0.218 177.473 177.300 -0.075 0.000 1.250 181 P CA -0.155 62.867 63.100 -0.130 0.000 0.793 181 P CB 0.744 32.395 31.700 -0.083 0.000 1.011 182 D N 0.436 120.805 120.400 -0.052 0.000 2.126 182 D HA -0.220 4.421 4.640 0.001 0.000 0.190 182 D C 1.669 177.932 176.300 -0.062 0.000 1.001 182 D CA 1.676 55.646 54.000 -0.051 0.000 0.841 182 D CB -0.291 40.486 40.800 -0.037 0.000 0.949 182 D HN 0.493 nan 8.370 nan 0.000 0.446 183 K N 0.830 121.200 120.400 -0.051 0.000 2.009 183 K HA -0.208 4.113 4.320 0.001 0.000 0.210 183 K C 1.951 178.498 176.600 -0.088 0.000 1.049 183 K CA 1.481 57.731 56.287 -0.061 0.000 0.929 183 K CB 0.019 32.499 32.500 -0.034 0.000 0.714 183 K HN -0.121 nan 8.250 nan 0.000 0.440 184 E N 0.535 120.700 120.200 -0.059 0.000 2.118 184 E HA -0.155 4.196 4.350 0.001 0.000 0.195 184 E C 1.852 178.347 176.600 -0.175 0.000 0.992 184 E CA 1.478 57.835 56.400 -0.071 0.000 0.804 184 E CB -0.307 29.427 29.700 0.056 0.000 0.741 184 E HN 0.493 nan 8.360 nan 0.000 0.458 185 A N 0.960 123.692 122.820 -0.146 0.000 1.877 185 A HA -0.108 4.212 4.320 0.001 0.000 0.216 185 A C 2.383 179.854 177.584 -0.189 0.000 1.186 185 A CA 1.937 53.862 52.037 -0.187 0.000 0.620 185 A CB -0.932 17.998 19.000 -0.116 0.000 0.822 185 A HN 0.295 nan 8.150 nan 0.000 0.443 186 A N -1.056 121.676 122.820 -0.146 0.000 2.019 186 A HA -0.197 4.124 4.320 0.001 0.000 0.219 186 A C 2.114 179.605 177.584 -0.155 0.000 1.164 186 A CA 1.710 53.666 52.037 -0.134 0.000 0.644 186 A CB -0.453 18.483 19.000 -0.107 0.000 0.805 186 A HN 0.683 nan 8.150 nan 0.000 0.449 187 Q N -0.649 119.028 119.800 -0.204 0.000 2.062 187 Q HA -0.000 4.341 4.340 0.001 0.000 0.196 187 Q C 2.084 178.043 176.000 -0.069 0.000 0.967 187 Q CA 1.171 56.824 55.803 -0.250 0.000 0.832 187 Q CB -0.252 28.220 28.738 -0.444 0.000 0.899 187 Q HN 0.679 nan 8.270 nan 0.000 0.442 188 L N 0.609 121.713 121.223 -0.199 0.000 1.990 188 L HA -0.303 4.037 4.340 0.001 0.000 0.213 188 L C 2.665 179.327 176.870 -0.347 0.000 1.072 188 L CA 1.606 56.250 54.840 -0.326 0.000 0.755 188 L CB -0.572 41.155 42.059 -0.554 0.000 0.889 188 L HN 0.341 nan 8.230 nan 0.000 0.432 189 Q N -0.011 119.616 119.800 -0.288 0.000 2.118 189 Q HA -0.331 4.010 4.340 0.001 0.000 0.211 189 Q C 2.185 178.084 176.000 -0.168 0.000 0.998 189 Q CA 2.421 58.084 55.803 -0.234 0.000 0.872 189 Q CB -0.113 28.524 28.738 -0.170 0.000 0.925 189 Q HN 0.483 nan 8.270 nan 0.000 0.414 190 E N -0.407 119.740 120.200 -0.088 0.000 2.152 190 E HA -0.161 4.190 4.350 0.001 0.000 0.192 190 E C 2.024 178.612 176.600 -0.020 0.000 0.983 190 E CA 0.619 57.007 56.400 -0.020 0.000 0.818 190 E CB -0.020 29.724 29.700 0.073 0.000 0.758 190 E HN 0.429 nan 8.360 nan 0.000 0.467 191 L N 0.315 121.533 121.223 -0.010 0.000 1.994 191 L HA -0.191 4.150 4.340 0.001 0.000 0.208 191 L C 2.569 179.425 176.870 -0.024 0.000 1.071 191 L CA 0.932 55.786 54.840 0.023 0.000 0.745 191 L CB -0.571 41.605 42.059 0.194 0.000 0.892 191 L HN 0.103 nan 8.230 nan 0.000 0.431 192 V N 0.311 120.072 119.914 -0.255 0.000 2.282 192 V HA -0.347 3.774 4.120 0.001 0.000 0.249 192 V C 2.806 178.836 176.094 -0.107 0.000 1.057 192 V CA 1.942 64.087 62.300 -0.258 0.000 1.032 192 V CB -1.051 30.511 31.823 -0.435 0.000 0.645 192 V HN 0.507 nan 8.190 nan 0.000 0.447 193 A N -0.144 122.608 122.820 -0.113 0.000 1.865 193 A HA -0.200 4.121 4.320 0.001 0.000 0.217 193 A C 2.396 179.935 177.584 -0.074 0.000 1.191 193 A CA 2.400 54.389 52.037 -0.081 0.000 0.623 193 A CB -0.890 18.067 19.000 -0.072 0.000 0.826 193 A HN 0.339 nan 8.150 nan 0.000 0.444 194 V N -0.130 119.747 119.914 -0.063 0.000 2.407 194 V HA -0.247 3.873 4.120 0.001 0.000 0.248 194 V C 3.037 179.093 176.094 -0.063 0.000 1.055 194 V CA 1.930 64.187 62.300 -0.071 0.000 1.049 194 V CB -1.290 30.492 31.823 -0.069 0.000 0.662 194 V HN 0.644 nan 8.190 nan 0.000 0.455 195 A N 0.445 123.267 122.820 0.005 0.000 1.902 195 A HA -0.233 4.087 4.320 0.001 0.000 0.217 195 A C 2.079 179.660 177.584 -0.005 0.000 1.181 195 A CA 2.077 54.154 52.037 0.068 0.000 0.623 195 A CB -0.635 18.510 19.000 0.241 0.000 0.818 195 A HN 0.591 nan 8.150 nan 0.000 0.443 196 N N -0.059 118.613 118.700 -0.046 0.000 2.142 196 N HA -0.131 4.610 4.740 0.001 0.000 0.186 196 N C 1.589 176.903 175.510 -0.326 0.000 1.023 196 N CA 1.546 54.548 53.050 -0.079 0.000 0.852 196 N CB -0.475 37.997 38.487 -0.025 0.000 0.998 196 N HN 0.665 nan 8.380 nan 0.000 0.424 197 E N 0.216 120.147 120.200 -0.447 0.000 2.265 197 E HA 0.012 4.362 4.350 0.001 0.000 0.196 197 E C 0.524 176.689 176.600 -0.725 0.000 0.996 197 E CA 0.521 56.404 56.400 -0.862 0.000 0.832 197 E CB 0.066 29.526 29.700 -0.400 0.000 0.756 197 E HN 0.331 nan 8.360 nan 0.000 0.491 198 N N 0.471 118.938 118.700 -0.388 0.000 2.214 198 N HA -0.023 4.718 4.740 0.001 0.000 0.214 198 N C -0.570 174.785 175.510 -0.258 0.000 1.132 198 N CA 0.207 53.124 53.050 -0.221 0.000 0.856 198 N CB 0.887 39.379 38.487 0.008 0.000 1.020 198 N HN -0.001 nan 8.380 nan 0.000 0.509 199 E N -0.234 119.749 120.200 -0.361 0.000 2.791 199 E HA -0.143 4.208 4.350 0.001 0.000 0.271 199 E C -0.653 175.993 176.600 0.076 0.000 1.044 199 E CA 0.390 56.682 56.400 -0.181 0.000 0.814 199 E CB -1.804 27.684 29.700 -0.354 0.000 1.400 199 E HN 0.086 nan 8.360 nan 0.000 0.423 200 V N 1.217 121.204 119.914 0.122 0.000 2.472 200 V HA 0.203 4.324 4.120 0.001 0.000 0.290 200 V C 0.517 176.743 176.094 0.219 0.000 1.037 200 V CA -0.664 61.776 62.300 0.234 0.000 0.908 200 V CB 1.777 33.783 31.823 0.306 0.000 0.985 200 V HN -0.055 nan 8.190 nan 0.000 0.454 201 D N 3.412 123.952 120.400 0.232 0.000 2.343 201 D HA 0.168 4.808 4.640 0.001 0.000 0.255 201 D C -0.376 176.069 176.300 0.243 0.000 1.187 201 D CA 0.176 54.299 54.000 0.204 0.000 0.875 201 D CB 0.765 41.666 40.800 0.169 0.000 1.136 201 D HN 0.437 nan 8.370 nan 0.000 0.469 202 F N 3.241 123.247 119.950 0.094 0.000 2.438 202 F HA 0.179 4.707 4.527 0.001 0.000 0.360 202 F C -0.233 175.548 175.800 -0.033 0.000 1.118 202 F CA -0.583 57.485 58.000 0.114 0.000 1.164 202 F CB 0.509 39.561 39.000 0.086 0.000 1.131 202 F HN 0.005 nan 8.300 nan 0.000 0.527 203 V N 7.047 126.901 119.914 -0.100 0.000 2.333 203 V HA 0.033 4.154 4.120 0.001 0.000 0.274 203 V C -0.600 175.399 176.094 -0.158 0.000 1.028 203 V CA -0.790 61.431 62.300 -0.130 0.000 0.851 203 V CB 0.525 32.245 31.823 -0.170 0.000 1.000 203 V HN 0.768 nan 8.190 nan 0.000 0.456 204 W N 5.220 126.411 121.300 -0.181 0.000 2.322 204 W HA 0.647 5.308 4.660 0.002 0.000 0.307 204 W C 0.197 176.677 176.519 -0.065 0.000 1.220 204 W CA -0.319 57.001 57.345 -0.042 0.000 1.210 204 W CB 0.958 30.422 29.460 0.007 0.000 1.223 204 W HN 0.674 nan 8.180 nan 0.000 0.511 205 A N 7.598 129.895 122.820 -0.872 0.000 2.324 205 A HA 0.743 5.064 4.320 0.001 0.000 0.330 205 A C -1.473 175.492 177.584 -1.032 0.000 1.165 205 A CA -0.811 50.668 52.037 -0.930 0.000 0.813 205 A CB 1.064 19.232 19.000 -1.388 0.000 1.197 205 A HN 0.747 nan 8.150 nan 0.000 0.484 206 I N 1.102 121.271 120.570 -0.668 0.000 2.646 206 I HA 0.402 4.573 4.170 0.001 0.000 0.299 206 I C -0.756 174.989 176.117 -0.620 0.000 1.036 206 I CA -0.558 60.377 61.300 -0.608 0.000 1.074 206 I CB 1.737 39.665 38.000 -0.120 0.000 1.258 206 I HN 0.828 nan 8.210 nan 0.000 0.430 207 H N 7.935 126.475 119.070 -0.884 0.000 2.448 207 H HA 0.395 4.952 4.556 0.001 0.000 0.237 207 H C -2.410 172.500 175.328 -0.697 0.000 1.391 207 H CA -1.621 53.996 56.048 -0.717 0.000 1.477 207 H CB 1.303 30.620 29.762 -0.742 0.000 1.520 207 H HN 0.411 nan 8.280 nan 0.000 0.502 208 P HA 0.135 nan 4.420 nan 0.000 0.267 208 P C 1.369 178.115 177.300 -0.923 0.000 1.289 208 P CA 0.389 62.520 63.100 -1.616 0.000 0.866 208 P CB 0.462 30.880 31.700 -2.136 0.000 1.309 209 G N 0.782 109.194 108.800 -0.647 0.000 2.484 209 G HA2 -0.225 3.736 3.960 0.001 0.000 0.218 209 G HA3 -0.225 3.736 3.960 0.001 0.000 0.218 209 G C 1.628 176.444 174.900 -0.139 0.000 1.130 209 G CA 0.344 45.303 45.100 -0.235 0.000 0.784 209 G HN 0.208 nan 8.290 nan 0.000 0.543 210 Q N 1.533 121.256 119.800 -0.128 0.000 2.170 210 Q HA -0.092 4.249 4.340 0.001 0.000 0.203 210 Q C 1.310 177.313 176.000 0.004 0.000 0.976 210 Q CA 1.869 57.664 55.803 -0.012 0.000 0.858 210 Q CB -0.031 28.737 28.738 0.049 0.000 0.907 210 Q HN 0.621 nan 8.270 nan 0.000 0.433 211 D N -2.164 118.255 120.400 0.031 0.000 2.556 211 D HA 0.076 4.717 4.640 0.001 0.000 0.237 211 D C 0.137 176.451 176.300 0.023 0.000 1.296 211 D CA -0.394 53.632 54.000 0.043 0.000 0.807 211 D CB -0.733 40.123 40.800 0.094 0.000 1.084 211 D HN 0.300 nan 8.370 nan 0.000 0.510 212 I N 0.820 121.338 120.570 -0.088 0.000 2.648 212 I HA 0.062 4.233 4.170 0.001 0.000 0.284 212 I C -0.241 175.642 176.117 -0.391 0.000 1.153 212 I CA -0.052 61.124 61.300 -0.206 0.000 1.426 212 I CB 0.522 38.205 38.000 -0.529 0.000 1.381 212 I HN -0.274 nan 8.210 nan 0.000 0.571 213 K N 6.258 126.497 120.400 -0.268 0.000 2.156 213 K HA 0.218 4.539 4.320 0.001 0.000 0.271 213 K C -1.271 175.153 176.600 -0.294 0.000 0.995 213 K CA 0.004 56.140 56.287 -0.251 0.000 0.890 213 K CB 0.789 33.241 32.500 -0.080 0.000 1.073 213 K HN 0.457 nan 8.250 nan 0.000 0.454 214 W N 4.521 125.826 121.300 0.009 0.000 1.395 214 W HA 0.099 4.760 4.660 0.001 0.000 0.451 214 W C 0.147 176.649 176.519 -0.028 0.000 0.619 214 W CA -0.605 56.729 57.345 -0.018 0.000 2.212 214 W CB -0.363 29.079 29.460 -0.029 0.000 1.537 214 W HN 0.562 nan 8.180 nan 0.000 0.275 215 N N -0.726 118.054 118.700 0.134 0.000 2.629 215 N HA 0.246 4.987 4.740 0.001 0.000 0.279 215 N C 0.797 176.322 175.510 0.025 0.000 1.344 215 N CA -1.059 52.032 53.050 0.068 0.000 0.789 215 N CB 0.859 39.368 38.487 0.037 0.000 1.508 215 N HN 0.006 nan 8.380 nan 0.000 0.516 216 K N -0.196 120.203 120.400 -0.000 0.000 2.097 216 K HA -0.152 4.169 4.320 0.001 0.000 0.205 216 K C 1.234 177.821 176.600 -0.022 0.000 1.050 216 K CA 1.318 57.588 56.287 -0.029 0.000 0.938 216 K CB -0.090 32.400 32.500 -0.017 0.000 0.718 216 K HN 0.704 nan 8.250 nan 0.000 0.442 217 E N 0.548 120.742 120.200 -0.009 0.000 2.038 217 E HA -0.229 4.122 4.350 0.001 0.000 0.195 217 E C 1.447 178.046 176.600 -0.001 0.000 1.000 217 E CA 1.843 58.236 56.400 -0.012 0.000 0.803 217 E CB -0.015 29.673 29.700 -0.019 0.000 0.750 217 E HN 0.318 nan 8.360 nan 0.000 0.448 218 D N -0.155 120.258 120.400 0.022 0.000 2.117 218 D HA -0.138 4.502 4.640 0.001 0.000 0.198 218 D C 1.991 178.358 176.300 0.112 0.000 0.982 218 D CA 0.699 54.763 54.000 0.106 0.000 0.828 218 D CB -0.259 40.623 40.800 0.136 0.000 0.967 218 D HN 0.120 nan 8.370 nan 0.000 0.464 219 R N 0.645 121.156 120.500 0.019 0.000 2.115 219 R HA -0.183 4.158 4.340 0.001 0.000 0.239 219 R C 1.457 177.733 176.300 -0.041 0.000 1.133 219 R CA 1.964 58.028 56.100 -0.060 0.000 0.935 219 R CB -0.081 30.098 30.300 -0.203 0.000 0.853 219 R HN 0.074 nan 8.270 nan 0.000 0.433 220 D N 0.351 120.737 120.400 -0.023 0.000 2.123 220 D HA -0.177 4.464 4.640 0.001 0.000 0.196 220 D C 1.920 178.227 176.300 0.012 0.000 0.992 220 D CA 0.926 54.930 54.000 0.006 0.000 0.833 220 D CB -0.176 40.628 40.800 0.007 0.000 0.954 220 D HN 0.202 nan 8.370 nan 0.000 0.455 221 L N 0.431 121.669 121.223 0.026 0.000 2.083 221 L HA -0.088 4.253 4.340 0.001 0.000 0.209 221 L C 2.521 179.451 176.870 0.100 0.000 1.083 221 L CA 0.843 55.701 54.840 0.030 0.000 0.752 221 L CB -1.060 40.970 42.059 -0.048 0.000 0.899 221 L HN 0.146 nan 8.230 nan 0.000 0.433 222 L N -0.964 120.348 121.223 0.149 0.000 2.027 222 L HA -0.212 4.129 4.340 0.001 0.000 0.206 222 L C 2.508 179.252 176.870 -0.211 0.000 1.074 222 L CA 0.989 55.848 54.840 0.031 0.000 0.745 222 L CB -0.114 41.856 42.059 -0.148 0.000 0.898 222 L HN 0.130 nan 8.230 nan 0.000 0.433 223 L N -0.061 121.054 121.223 -0.180 0.000 2.046 223 L HA -0.188 4.153 4.340 0.001 0.000 0.208 223 L C 2.842 179.626 176.870 -0.144 0.000 1.077 223 L CA 1.956 56.654 54.840 -0.236 0.000 0.747 223 L CB -1.672 40.342 42.059 -0.075 0.000 0.896 223 L HN 0.421 nan 8.230 nan 0.000 0.432 224 A N -0.272 122.525 122.820 -0.038 0.000 1.902 224 A HA -0.250 4.071 4.320 0.001 0.000 0.217 224 A C 2.325 179.937 177.584 0.047 0.000 1.181 224 A CA 1.846 53.887 52.037 0.008 0.000 0.623 224 A CB -0.370 18.639 19.000 0.015 0.000 0.818 224 A HN 0.261 nan 8.150 nan 0.000 0.443 225 K N -0.498 119.951 120.400 0.082 0.000 2.009 225 K HA -0.144 4.177 4.320 0.001 0.000 0.210 225 K C 1.511 178.257 176.600 0.244 0.000 1.049 225 K CA 1.688 58.071 56.287 0.161 0.000 0.929 225 K CB -0.800 31.864 32.500 0.275 0.000 0.714 225 K HN 0.292 nan 8.250 nan 0.000 0.440 226 F N 1.486 121.414 119.950 -0.038 0.000 2.115 226 F HA -0.183 4.345 4.527 0.002 0.000 0.300 226 F C 2.395 178.176 175.800 -0.032 0.000 1.092 226 F CA 1.885 59.800 58.000 -0.142 0.000 1.245 226 F CB -1.169 37.336 39.000 -0.825 0.000 0.995 226 F HN 0.313 nan 8.300 nan 0.000 0.481 227 E N 0.563 120.812 120.200 0.082 0.000 2.077 227 E HA -0.190 4.160 4.350 0.001 0.000 0.193 227 E C 2.035 178.782 176.600 0.246 0.000 0.989 227 E CA 1.514 58.049 56.400 0.226 0.000 0.800 227 E CB -0.112 29.667 29.700 0.132 0.000 0.746 227 E HN 0.080 nan 8.360 nan 0.000 0.452 228 K N -0.118 120.371 120.400 0.148 0.000 2.097 228 K HA -0.091 4.230 4.320 0.001 0.000 0.206 228 K C 2.001 178.636 176.600 0.059 0.000 1.049 228 K CA 1.279 57.618 56.287 0.088 0.000 0.933 228 K CB -0.336 32.184 32.500 0.033 0.000 0.717 228 K HN 0.320 nan 8.250 nan 0.000 0.442 229 M N -0.251 119.383 119.600 0.057 0.000 2.159 229 M HA -0.137 4.343 4.480 0.001 0.000 0.263 229 M C 2.215 178.574 176.300 0.098 0.000 1.063 229 M CA 1.295 56.564 55.300 -0.053 0.000 1.110 229 M CB -1.220 31.296 32.600 -0.139 0.000 1.374 229 M HN 0.080 nan 8.290 nan 0.000 0.411 230 Y N 1.736 122.202 120.300 0.276 0.000 2.128 230 Y HA -0.306 4.244 4.550 0.001 0.000 0.284 230 Y C 2.489 178.445 175.900 0.094 0.000 1.154 230 Y CA 2.112 60.379 58.100 0.278 0.000 1.149 230 Y CB -0.262 38.429 38.460 0.386 0.000 0.976 230 Y HN 0.330 nan 8.280 nan 0.000 0.505 231 Q N -0.197 119.758 119.800 0.258 0.000 2.181 231 Q HA -0.180 4.161 4.340 0.001 0.000 0.205 231 Q C 2.029 178.015 176.000 -0.022 0.000 0.980 231 Q CA 1.709 57.589 55.803 0.128 0.000 0.862 231 Q CB -0.215 28.587 28.738 0.108 0.000 0.905 231 Q HN 0.527 nan 8.270 nan 0.000 0.429 232 L N -1.231 119.942 121.223 -0.083 0.000 2.552 232 L HA 0.059 4.399 4.340 0.001 0.000 0.227 232 L C 1.225 177.953 176.870 -0.236 0.000 1.146 232 L CA 0.649 55.384 54.840 -0.174 0.000 0.858 232 L CB -0.068 41.843 42.059 -0.248 0.000 0.969 232 L HN 0.511 nan 8.230 nan 0.000 0.451 233 G N -0.750 107.896 108.800 -0.257 0.000 2.211 233 G HA2 -0.224 3.737 3.960 0.001 0.000 0.201 233 G HA3 -0.224 3.737 3.960 0.001 0.000 0.201 233 G C 0.267 174.955 174.900 -0.353 0.000 0.997 233 G CA -0.157 44.757 45.100 -0.310 0.000 0.652 233 G HN 0.028 nan 8.290 nan 0.000 0.500 234 V N 1.730 121.432 119.914 -0.353 0.000 2.673 234 V HA 0.378 4.499 4.120 0.001 0.000 0.303 234 V C 1.383 177.293 176.094 -0.307 0.000 1.046 234 V CA 0.424 62.499 62.300 -0.376 0.000 1.126 234 V CB 1.332 32.859 31.823 -0.494 0.000 0.934 234 V HN 0.324 nan 8.190 nan 0.000 0.487 235 R N 1.703 122.055 120.500 -0.246 0.000 2.531 235 R HA 0.333 4.674 4.340 0.001 0.000 0.316 235 R C -0.082 176.233 176.300 0.025 0.000 0.955 235 R CA -0.016 56.066 56.100 -0.030 0.000 1.120 235 R CB 1.053 31.338 30.300 -0.025 0.000 1.361 235 R HN 0.637 nan 8.270 nan 0.000 0.534 236 S N 0.129 115.692 115.700 -0.228 0.000 2.548 236 S HA 0.741 5.212 4.470 0.001 0.000 0.286 236 S C -1.229 173.124 174.600 -0.412 0.000 1.098 236 S CA -0.389 57.754 58.200 -0.094 0.000 0.930 236 S CB 1.803 64.987 63.200 -0.027 0.000 1.070 236 S HN 0.025 nan 8.310 nan 0.000 0.480 237 F N 0.782 120.733 119.950 0.002 0.000 2.601 237 F HA 0.777 5.305 4.527 0.001 0.000 0.309 237 F C 0.066 175.852 175.800 -0.023 0.000 1.089 237 F CA -0.690 57.258 58.000 -0.087 0.000 0.940 237 F CB 1.887 40.688 39.000 -0.333 0.000 1.273 237 F HN 0.689 nan 8.300 nan 0.000 0.450 238 A N 1.218 124.111 122.820 0.122 0.000 2.454 238 A HA 0.903 5.224 4.320 0.001 0.000 0.302 238 A C -1.865 175.750 177.584 0.052 0.000 1.079 238 A CA -0.797 51.262 52.037 0.036 0.000 0.731 238 A CB 1.723 20.601 19.000 -0.203 0.000 1.299 238 A HN 0.510 nan 8.150 nan 0.000 0.413 239 V N 1.911 121.871 119.914 0.077 0.000 2.409 239 V HA 0.489 4.610 4.120 0.001 0.000 0.291 239 V C -1.276 174.791 176.094 -0.045 0.000 1.020 239 V CA -0.441 61.793 62.300 -0.111 0.000 0.848 239 V CB 0.955 32.727 31.823 -0.085 0.000 0.990 239 V HN 0.657 nan 8.190 nan 0.000 0.430 240 F N 4.389 124.147 119.950 -0.319 0.000 2.410 240 F HA 0.574 5.102 4.527 0.001 0.000 0.349 240 F C 0.289 175.782 175.800 -0.511 0.000 1.117 240 F CA -1.580 56.308 58.000 -0.186 0.000 1.104 240 F CB 1.249 40.315 39.000 0.110 0.000 1.122 240 F HN 0.397 nan 8.300 nan 0.000 0.483 241 F N 0.954 121.017 119.950 0.188 0.000 2.772 241 F HA 0.150 4.679 4.527 0.002 0.000 0.302 241 F C 0.438 176.303 175.800 0.108 0.000 1.136 241 F CA -0.910 57.129 58.000 0.063 0.000 1.322 241 F CB -0.250 38.832 39.000 0.137 0.000 0.967 241 F HN 0.256 nan 8.300 nan 0.000 0.513 242 D N -1.273 119.275 120.400 0.247 0.000 2.304 242 D HA 0.106 4.747 4.640 0.001 0.000 0.247 242 D C 0.169 176.680 176.300 0.353 0.000 1.089 242 D CA -0.175 53.967 54.000 0.236 0.000 0.910 242 D CB 0.972 41.631 40.800 -0.236 0.000 1.199 242 D HN -0.017 nan 8.370 nan 0.000 0.426 243 D N -0.783 119.864 120.400 0.412 0.000 2.837 243 D HA -0.159 4.482 4.640 0.001 0.000 0.230 243 D C -0.093 176.375 176.300 0.279 0.000 1.152 243 D CA 0.755 54.980 54.000 0.376 0.000 0.736 243 D CB -1.535 39.484 40.800 0.365 0.000 1.084 243 D HN 0.650 nan 8.370 nan 0.000 0.429 244 I N -3.519 117.179 120.570 0.212 0.000 2.910 244 I HA 0.763 4.934 4.170 0.001 0.000 0.310 244 I C 0.305 176.472 176.117 0.084 0.000 1.043 244 I CA -0.859 60.521 61.300 0.134 0.000 1.053 244 I CB 2.438 40.490 38.000 0.087 0.000 1.242 244 I HN -0.038 nan 8.210 nan 0.000 0.452 245 S N 1.531 117.264 115.700 0.054 0.000 2.667 245 S HA 1.016 5.487 4.470 0.001 0.000 0.292 245 S C -0.038 174.582 174.600 0.033 0.000 1.126 245 S CA -0.161 58.056 58.200 0.028 0.000 0.881 245 S CB 1.357 64.558 63.200 0.002 0.000 1.132 245 S HN 2.102 nan 8.310 nan 0.000 0.492 246 G N 1.038 109.857 108.800 0.032 0.000 2.472 246 G HA2 -0.109 3.852 3.960 0.001 0.000 0.205 246 G HA3 -0.109 3.852 3.960 0.001 0.000 0.205 246 G C 0.164 175.109 174.900 0.076 0.000 1.270 246 G CA 0.096 45.219 45.100 0.039 0.000 0.974 246 G HN 0.635 nan 8.290 nan 0.000 0.542 247 E N 0.555 120.805 120.200 0.085 0.000 2.153 247 E HA -0.076 4.275 4.350 0.001 0.000 0.194 247 E C 2.552 179.347 176.600 0.324 0.000 0.988 247 E CA 1.578 58.090 56.400 0.188 0.000 0.811 247 E CB -0.722 29.066 29.700 0.146 0.000 0.746 247 E HN 0.887 nan 8.360 nan 0.000 0.466 248 G N 1.014 109.906 108.800 0.154 0.000 2.776 248 G HA2 -0.154 3.806 3.960 0.001 0.000 0.209 248 G HA3 -0.154 3.806 3.960 0.001 0.000 0.209 248 G C 1.447 176.519 174.900 0.286 0.000 1.145 248 G CA 1.172 46.392 45.100 0.200 0.000 0.791 248 G HN 0.348 nan 8.290 nan 0.000 0.530 249 T N -2.306 112.377 114.554 0.215 0.000 3.107 249 T HA 0.115 4.466 4.350 0.001 0.000 0.249 249 T C 0.920 175.729 174.700 0.182 0.000 1.096 249 T CA -0.519 61.677 62.100 0.160 0.000 1.012 249 T CB -0.051 68.873 68.868 0.094 0.000 0.977 249 T HN 0.110 nan 8.240 nan 0.000 0.527 250 N N 3.530 122.324 118.700 0.156 0.000 2.427 250 N HA 0.074 4.815 4.740 0.001 0.000 0.269 250 N C -1.468 173.939 175.510 -0.171 0.000 1.235 250 N CA -1.583 51.467 53.050 0.001 0.000 0.934 250 N CB 1.616 40.050 38.487 -0.088 0.000 1.121 250 N HN 0.146 nan 8.380 nan 0.000 0.480 251 P HA -0.156 nan 4.420 nan 0.000 0.216 251 P C 1.139 178.213 177.300 -0.377 0.000 1.153 251 P CA 1.139 64.009 63.100 -0.382 0.000 0.844 251 P CB 0.342 31.659 31.700 -0.638 0.000 0.787 252 Q N 0.630 120.239 119.800 -0.318 0.000 2.061 252 Q HA -0.179 4.161 4.340 0.001 0.000 0.204 252 Q C 2.150 177.911 176.000 -0.399 0.000 0.984 252 Q CA 2.020 57.643 55.803 -0.300 0.000 0.846 252 Q CB -0.521 28.075 28.738 -0.238 0.000 0.902 252 Q HN -0.037 nan 8.270 nan 0.000 0.421 253 K N 0.239 120.272 120.400 -0.612 0.000 2.097 253 K HA -0.110 4.211 4.320 0.001 0.000 0.205 253 K C 2.160 178.212 176.600 -0.914 0.000 1.050 253 K CA 1.489 57.173 56.287 -1.006 0.000 0.938 253 K CB -0.126 31.161 32.500 -2.022 0.000 0.718 253 K HN 0.497 nan 8.250 nan 0.000 0.442 254 Q N 0.180 119.560 119.800 -0.700 0.000 2.050 254 Q HA -0.090 4.251 4.340 0.001 0.000 0.202 254 Q C 2.150 178.030 176.000 -0.201 0.000 0.980 254 Q CA 1.634 57.167 55.803 -0.450 0.000 0.840 254 Q CB -0.226 28.115 28.738 -0.662 0.000 0.898 254 Q HN 0.313 nan 8.270 nan 0.000 0.424 255 A N 1.167 123.855 122.820 -0.219 0.000 1.898 255 A HA -0.227 4.094 4.320 0.001 0.000 0.216 255 A C 1.833 179.381 177.584 -0.061 0.000 1.181 255 A CA 1.465 53.437 52.037 -0.108 0.000 0.620 255 A CB -0.401 18.518 19.000 -0.135 0.000 0.819 255 A HN 0.327 nan 8.150 nan 0.000 0.442 256 E N -0.749 119.378 120.200 -0.121 0.000 2.058 256 E HA -0.211 4.140 4.350 0.001 0.000 0.194 256 E C 1.953 178.570 176.600 0.028 0.000 0.997 256 E CA 1.331 57.694 56.400 -0.062 0.000 0.801 256 E CB -0.269 29.348 29.700 -0.138 0.000 0.746 256 E HN 0.527 nan 8.360 nan 0.000 0.450 257 L N 0.837 122.064 121.223 0.008 0.000 2.046 257 L HA -0.184 4.157 4.340 0.001 0.000 0.208 257 L C 2.022 179.009 176.870 0.195 0.000 1.077 257 L CA 1.454 56.376 54.840 0.137 0.000 0.747 257 L CB -0.234 41.985 42.059 0.266 0.000 0.896 257 L HN 0.151 nan 8.230 nan 0.000 0.432 258 L N -0.201 121.126 121.223 0.173 0.000 2.093 258 L HA -0.162 4.179 4.340 0.001 0.000 0.208 258 L C 2.301 179.273 176.870 0.170 0.000 1.085 258 L CA 1.418 56.374 54.840 0.193 0.000 0.755 258 L CB -1.597 40.573 42.059 0.186 0.000 0.904 258 L HN 0.427 nan 8.230 nan 0.000 0.435 259 N N -0.755 118.024 118.700 0.131 0.000 2.188 259 N HA -0.232 4.509 4.740 0.001 0.000 0.184 259 N C 1.787 177.377 175.510 0.134 0.000 1.018 259 N CA 0.981 54.096 53.050 0.108 0.000 0.858 259 N CB -0.468 38.059 38.487 0.067 0.000 0.989 259 N HN 0.341 nan 8.380 nan 0.000 0.426 260 Y N 1.438 121.768 120.300 0.050 0.000 2.181 260 Y HA -0.084 4.467 4.550 0.001 0.000 0.288 260 Y C 2.141 178.090 175.900 0.082 0.000 1.146 260 Y CA 1.314 59.447 58.100 0.054 0.000 1.164 260 Y CB -0.249 38.236 38.460 0.043 0.000 0.982 260 Y HN -0.061 nan 8.280 nan 0.000 0.515 261 I N 0.090 120.837 120.570 0.296 0.000 2.226 261 I HA -0.301 3.870 4.170 0.001 0.000 0.245 261 I C 2.204 178.450 176.117 0.215 0.000 1.100 261 I CA 1.752 63.201 61.300 0.248 0.000 1.374 261 I CB -0.476 37.682 38.000 0.265 0.000 1.057 261 I HN 0.264 nan 8.210 nan 0.000 0.413 262 D N 1.043 121.542 120.400 0.166 0.000 2.088 262 D HA -0.223 4.418 4.640 0.001 0.000 0.191 262 D C 2.077 178.404 176.300 0.045 0.000 0.992 262 D CA 1.724 55.796 54.000 0.120 0.000 0.831 262 D CB -0.010 40.851 40.800 0.102 0.000 0.973 262 D HN 0.292 nan 8.370 nan 0.000 0.447 263 E N -0.859 119.331 120.200 -0.016 0.000 2.150 263 E HA -0.085 4.266 4.350 0.001 0.000 0.193 263 E C 1.575 178.104 176.600 -0.119 0.000 0.985 263 E CA 0.815 57.173 56.400 -0.070 0.000 0.814 263 E CB 0.205 29.853 29.700 -0.087 0.000 0.752 263 E HN 0.083 nan 8.360 nan 0.000 0.466 264 K N -1.106 119.179 120.400 -0.192 0.000 2.358 264 K HA 0.125 4.446 4.320 0.001 0.000 0.197 264 K C 0.503 177.120 176.600 0.030 0.000 1.025 264 K CA 0.157 56.331 56.287 -0.189 0.000 1.104 264 K CB 0.622 32.827 32.500 -0.493 0.000 0.855 264 K HN 0.096 nan 8.250 nan 0.000 0.531 265 F N -0.257 119.628 119.950 -0.108 0.000 1.901 265 F HA 0.261 4.789 4.527 0.001 0.000 0.239 265 F C 1.720 177.484 175.800 -0.059 0.000 1.133 265 F CA 0.596 58.548 58.000 -0.080 0.000 1.271 265 F CB -0.437 38.542 39.000 -0.035 0.000 1.652 265 F HN -0.169 nan 8.300 nan 0.000 0.543 266 A N 0.207 123.008 122.820 -0.032 0.000 1.940 266 A HA -0.146 4.175 4.320 0.001 0.000 0.219 266 A C 1.594 179.129 177.584 -0.082 0.000 1.176 266 A CA 1.771 53.752 52.037 -0.093 0.000 0.631 266 A CB -0.609 18.442 19.000 0.085 0.000 0.814 266 A HN 0.542 nan 8.150 nan 0.000 0.446 267 Q N -0.825 118.947 119.800 -0.046 0.000 2.320 267 Q HA 0.221 4.561 4.340 0.001 0.000 0.201 267 Q C 1.372 177.331 176.000 -0.067 0.000 0.910 267 Q CA 0.387 56.165 55.803 -0.041 0.000 0.946 267 Q CB 0.336 29.063 28.738 -0.019 0.000 1.062 267 Q HN 0.487 nan 8.270 nan 0.000 0.503 268 V N -0.440 119.406 119.914 -0.113 0.000 3.307 268 V HA 0.063 4.184 4.120 0.001 0.000 0.244 268 V C 0.560 176.554 176.094 -0.167 0.000 1.196 268 V CA 0.407 62.638 62.300 -0.115 0.000 1.132 268 V CB 0.429 32.198 31.823 -0.089 0.000 0.875 268 V HN 0.054 nan 8.190 nan 0.000 0.468 269 K N 1.801 122.029 120.400 -0.287 0.000 2.295 269 K HA 0.227 4.548 4.320 0.001 0.000 0.270 269 K C -1.506 175.027 176.600 -0.112 0.000 1.011 269 K CA -2.006 54.107 56.287 -0.290 0.000 0.953 269 K CB 0.436 32.623 32.500 -0.522 0.000 0.956 269 K HN 0.045 nan 8.250 nan 0.000 0.477 270 P HA -0.102 nan 4.420 nan 0.000 0.221 270 P C -0.201 177.122 177.300 0.039 0.000 1.150 270 P CA 1.234 64.341 63.100 0.013 0.000 0.800 270 P CB 0.303 32.026 31.700 0.038 0.000 0.787 271 D N -1.831 118.616 120.400 0.079 0.000 2.837 271 D HA 0.152 4.793 4.640 0.001 0.000 0.340 271 D C 0.150 176.514 176.300 0.108 0.000 1.451 271 D CA -0.437 53.615 54.000 0.086 0.000 0.798 271 D CB -0.704 40.145 40.800 0.083 0.000 1.169 271 D HN 0.121 nan 8.370 nan 0.000 0.449 272 I N 0.669 121.297 120.570 0.098 0.000 2.519 272 I HA 0.145 4.316 4.170 0.001 0.000 0.287 272 I C 0.723 176.917 176.117 0.128 0.000 1.047 272 I CA -0.309 61.074 61.300 0.138 0.000 1.381 272 I CB 1.156 39.204 38.000 0.080 0.000 1.417 272 I HN -0.040 nan 8.210 nan 0.000 0.540 273 N N 3.438 122.227 118.700 0.147 0.000 2.648 273 N HA 0.105 4.846 4.740 0.001 0.000 0.234 273 N C -0.153 175.438 175.510 0.134 0.000 1.034 273 N CA 0.358 53.491 53.050 0.138 0.000 1.205 273 N CB 0.120 38.686 38.487 0.132 0.000 1.573 273 N HN 0.547 nan 8.380 nan 0.000 0.615 274 Q N 0.569 120.423 119.800 0.090 0.000 2.230 274 Q HA 0.507 4.847 4.340 0.001 0.000 0.253 274 Q C -1.106 174.942 176.000 0.081 0.000 0.919 274 Q CA -0.502 55.303 55.803 0.004 0.000 0.908 274 Q CB 2.401 31.029 28.738 -0.184 0.000 1.245 274 Q HN 0.126 nan 8.270 nan 0.000 0.437 275 L N 2.783 124.054 121.223 0.080 0.000 2.404 275 L HA 0.541 4.882 4.340 0.001 0.000 0.272 275 L C -1.631 175.286 176.870 0.079 0.000 0.980 275 L CA -0.557 54.371 54.840 0.148 0.000 0.836 275 L CB 1.909 44.081 42.059 0.188 0.000 1.238 275 L HN 0.447 nan 8.230 nan 0.000 0.408 276 V N 5.496 125.450 119.914 0.065 0.000 2.876 276 V HA 0.694 4.815 4.120 0.001 0.000 0.312 276 V C -0.354 175.816 176.094 0.128 0.000 1.085 276 V CA -0.566 61.727 62.300 -0.012 0.000 0.945 276 V CB 2.163 33.853 31.823 -0.221 0.000 1.017 276 V HN 0.879 nan 8.190 nan 0.000 0.428 277 M N 3.506 123.205 119.600 0.165 0.000 2.457 277 M HA 0.760 5.241 4.480 0.001 0.000 0.300 277 M C -0.969 175.517 176.300 0.310 0.000 1.141 277 M CA -0.163 55.313 55.300 0.293 0.000 0.901 277 M CB 1.623 34.416 32.600 0.321 0.000 1.687 277 M HN 0.543 nan 8.290 nan 0.000 0.449 278 C N 5.114 124.644 119.300 0.385 0.000 2.303 278 C HA 0.864 5.325 4.460 0.001 0.000 0.326 278 C C -2.285 172.895 174.990 0.315 0.000 1.285 278 C CA -1.424 57.712 59.018 0.197 0.000 1.675 278 C CB 1.069 28.666 27.740 -0.240 0.000 2.289 278 C HN 0.799 nan 8.230 nan 0.000 0.512 279 P HA 0.247 nan 4.420 nan 0.000 0.278 279 P C 0.511 178.049 177.300 0.397 0.000 1.266 279 P CA 0.079 63.464 63.100 0.474 0.000 0.807 279 P CB 0.811 32.850 31.700 0.566 0.000 1.094 280 T N -0.578 114.163 114.554 0.311 0.000 2.737 280 T HA -0.089 4.261 4.350 0.001 0.000 0.265 280 T C 0.489 175.137 174.700 -0.085 0.000 1.038 280 T CA 1.388 63.540 62.100 0.087 0.000 1.144 280 T CB -0.405 68.417 68.868 -0.076 0.000 0.866 280 T HN 0.499 nan 8.240 nan 0.000 0.434 281 E N 1.566 121.554 120.200 -0.353 0.000 1.941 281 E HA 0.130 4.481 4.350 0.001 0.000 0.275 281 E C -0.359 176.307 176.600 0.110 0.000 1.113 281 E CA -0.285 56.005 56.400 -0.183 0.000 0.878 281 E CB 0.278 29.871 29.700 -0.178 0.000 1.070 281 E HN 0.686 nan 8.360 nan 0.000 0.399 282 Y N 1.574 121.817 120.300 -0.094 0.000 2.531 282 Y HA 0.287 4.839 4.550 0.002 0.000 0.249 282 Y C -0.304 174.950 175.900 -1.076 0.000 1.168 282 Y CA -1.135 56.775 58.100 -0.316 0.000 1.226 282 Y CB -0.189 38.011 38.460 -0.435 0.000 1.177 282 Y HN 0.267 nan 8.280 nan 0.000 0.527 283 N N -1.421 116.611 118.700 -1.113 0.000 2.591 283 N HA 0.170 4.911 4.740 0.001 0.000 0.263 283 N C 0.063 175.231 175.510 -0.570 0.000 1.308 283 N CA -1.030 51.229 53.050 -1.318 0.000 0.837 283 N CB 1.570 39.521 38.487 -0.894 0.000 1.548 283 N HN -0.003 nan 8.380 nan 0.000 0.493 284 K N 0.172 120.402 120.400 -0.283 0.000 2.026 284 K HA -0.160 4.161 4.320 0.001 0.000 0.208 284 K C 1.343 177.862 176.600 -0.135 0.000 1.048 284 K CA 2.138 58.368 56.287 -0.095 0.000 0.929 284 K CB -0.312 31.970 32.500 -0.365 0.000 0.713 284 K HN 0.679 nan 8.250 nan 0.000 0.439 285 S N -0.939 114.681 115.700 -0.134 0.000 2.447 285 S HA -0.117 4.353 4.470 0.001 0.000 0.233 285 S C 1.175 175.837 174.600 0.103 0.000 1.006 285 S CA 0.415 58.597 58.200 -0.029 0.000 0.957 285 S CB -0.317 62.875 63.200 -0.012 0.000 0.773 285 S HN 0.471 nan 8.310 nan 0.000 0.507 286 W N 3.039 124.189 121.300 -0.249 0.000 3.330 286 W HA 0.505 5.166 4.660 0.002 0.000 0.348 286 W C 0.624 177.020 176.519 -0.205 0.000 1.205 286 W CA -0.998 56.181 57.345 -0.276 0.000 1.841 286 W CB -0.285 28.886 29.460 -0.482 0.000 1.084 286 W HN 0.364 nan 8.180 nan 0.000 0.665 287 S N 1.016 116.781 115.700 0.108 0.000 2.449 287 S HA 0.281 4.751 4.470 0.001 0.000 0.310 287 S C -0.276 174.411 174.600 0.145 0.000 1.096 287 S CA -0.674 57.625 58.200 0.164 0.000 1.095 287 S CB 0.889 64.320 63.200 0.385 0.000 1.007 287 S HN 0.058 nan 8.310 nan 0.000 0.474 288 N N 5.260 124.021 118.700 0.102 0.000 2.416 288 N HA 0.250 4.991 4.740 0.001 0.000 0.271 288 N C -2.378 173.208 175.510 0.126 0.000 1.245 288 N CA -1.409 51.686 53.050 0.075 0.000 0.940 288 N CB 0.222 38.733 38.487 0.040 0.000 1.175 288 N HN 0.483 nan 8.380 nan 0.000 0.483 289 P HA 0.005 nan 4.420 nan 0.000 0.264 289 P C -0.142 177.223 177.300 0.108 0.000 1.183 289 P CA 0.338 63.525 63.100 0.146 0.000 0.763 289 P CB 0.357 32.121 31.700 0.107 0.000 0.807 290 N N -1.075 117.693 118.700 0.113 0.000 2.857 290 N HA -0.155 4.586 4.740 0.001 0.000 0.242 290 N C 0.838 176.383 175.510 0.058 0.000 0.983 290 N CA 1.625 54.717 53.050 0.070 0.000 0.934 290 N CB -1.782 36.737 38.487 0.052 0.000 1.115 290 N HN 0.665 nan 8.380 nan 0.000 0.593 291 G N 1.164 110.012 108.800 0.079 0.000 2.653 291 G HA2 0.292 4.253 3.960 0.001 0.000 0.265 291 G HA3 0.292 4.253 3.960 0.001 0.000 0.265 291 G C 0.814 175.757 174.900 0.072 0.000 1.237 291 G CA 0.422 45.568 45.100 0.076 0.000 0.946 291 G HN 0.410 nan 8.290 nan 0.000 0.522 292 N N -1.880 116.862 118.700 0.070 0.000 2.291 292 N HA 0.013 4.754 4.740 0.001 0.000 0.244 292 N C 0.664 176.199 175.510 0.042 0.000 1.216 292 N CA -0.552 52.518 53.050 0.034 0.000 0.879 292 N CB -0.149 38.334 38.487 -0.007 0.000 1.167 292 N HN 0.536 nan 8.380 nan 0.000 0.515 293 Y N 1.265 121.567 120.300 0.004 0.000 2.114 293 Y HA 0.022 4.572 4.550 0.001 0.000 0.284 293 Y C 1.619 177.522 175.900 0.006 0.000 1.143 293 Y CA 1.768 59.873 58.100 0.008 0.000 1.135 293 Y CB 0.009 38.495 38.460 0.044 0.000 0.980 293 Y HN 0.092 nan 8.280 nan 0.000 0.499 294 L N -0.673 120.655 121.223 0.175 0.000 2.179 294 L HA -0.139 4.201 4.340 0.001 0.000 0.208 294 L C 2.525 179.337 176.870 -0.098 0.000 1.096 294 L CA 1.534 56.413 54.840 0.064 0.000 0.779 294 L CB -0.828 41.304 42.059 0.122 0.000 0.922 294 L HN 0.378 nan 8.230 nan 0.000 0.443 295 T N -4.692 109.803 114.554 -0.097 0.000 2.867 295 T HA -0.150 4.200 4.350 0.001 0.000 0.268 295 T C 1.811 176.434 174.700 -0.129 0.000 1.057 295 T CA 1.559 63.588 62.100 -0.118 0.000 1.136 295 T CB -0.615 68.191 68.868 -0.103 0.000 0.874 295 T HN 0.153 nan 8.240 nan 0.000 0.466 296 T N 2.445 116.905 114.554 -0.157 0.000 2.684 296 T HA 0.070 4.421 4.350 0.001 0.000 0.267 296 T C 1.887 176.462 174.700 -0.208 0.000 1.036 296 T CA 1.236 63.225 62.100 -0.185 0.000 1.148 296 T CB -0.511 68.221 68.868 -0.228 0.000 0.863 296 T HN 0.286 nan 8.240 nan 0.000 0.436 297 L N 0.556 121.616 121.223 -0.272 0.000 1.994 297 L HA -0.050 4.291 4.340 0.001 0.000 0.208 297 L C 3.091 179.890 176.870 -0.119 0.000 1.071 297 L CA 1.610 56.322 54.840 -0.213 0.000 0.745 297 L CB -1.246 40.686 42.059 -0.212 0.000 0.892 297 L HN 0.377 nan 8.230 nan 0.000 0.431 298 G N -0.461 108.273 108.800 -0.110 0.000 2.469 298 G HA2 -0.292 3.668 3.960 0.001 0.000 0.220 298 G HA3 -0.292 3.668 3.960 0.001 0.000 0.220 298 G C 1.152 176.008 174.900 -0.072 0.000 1.136 298 G CA 1.174 46.225 45.100 -0.083 0.000 0.759 298 G HN 0.323 nan 8.290 nan 0.000 0.562 299 D N -0.131 120.218 120.400 -0.085 0.000 2.183 299 D HA 0.027 4.668 4.640 0.001 0.000 0.205 299 D C 2.440 178.703 176.300 -0.062 0.000 0.962 299 D CA 0.691 54.648 54.000 -0.071 0.000 0.849 299 D CB 0.065 40.819 40.800 -0.076 0.000 0.978 299 D HN 0.110 nan 8.370 nan 0.000 0.488 300 K N 0.062 120.416 120.400 -0.076 0.000 2.284 300 K HA 0.170 4.491 4.320 0.001 0.000 0.198 300 K C 0.859 177.433 176.600 -0.043 0.000 1.048 300 K CA -0.123 56.124 56.287 -0.066 0.000 0.987 300 K CB 0.243 32.687 32.500 -0.093 0.000 0.800 300 K HN 0.172 nan 8.250 nan 0.000 0.486 301 L N 3.351 124.551 121.223 -0.038 0.000 2.462 301 L HA 0.021 4.362 4.340 0.001 0.000 0.272 301 L C 0.031 176.909 176.870 0.014 0.000 1.166 301 L CA -0.264 54.574 54.840 -0.003 0.000 0.880 301 L CB 0.165 42.231 42.059 0.011 0.000 1.142 301 L HN 0.097 nan 8.230 nan 0.000 0.473 302 N N 6.018 124.736 118.700 0.030 0.000 2.294 302 N HA -0.056 4.685 4.740 0.001 0.000 0.248 302 N C -1.496 174.041 175.510 0.045 0.000 1.242 302 N CA -0.936 52.135 53.050 0.036 0.000 0.848 302 N CB 0.283 38.798 38.487 0.047 0.000 1.084 302 N HN 0.375 nan 8.380 nan 0.000 0.457 303 P HA -0.094 nan 4.420 nan 0.000 0.225 303 P C 0.815 178.157 177.300 0.070 0.000 1.148 303 P CA 1.067 64.195 63.100 0.046 0.000 0.779 303 P CB 0.109 31.830 31.700 0.035 0.000 0.780 304 S N -1.272 114.474 115.700 0.077 0.000 2.496 304 S HA 0.040 4.511 4.470 0.001 0.000 0.224 304 S C 1.006 175.677 174.600 0.119 0.000 0.996 304 S CA -0.089 58.172 58.200 0.101 0.000 0.927 304 S CB -0.980 62.277 63.200 0.095 0.000 0.774 304 S HN 0.043 nan 8.310 nan 0.000 0.524 305 I N 2.827 123.461 120.570 0.107 0.000 2.529 305 I HA 0.153 4.324 4.170 0.001 0.000 0.284 305 I C 0.301 176.488 176.117 0.117 0.000 1.082 305 I CA -0.437 60.932 61.300 0.114 0.000 1.406 305 I CB 0.613 38.681 38.000 0.114 0.000 1.405 305 I HN 0.210 nan 8.210 nan 0.000 0.548 306 Q N 6.266 126.128 119.800 0.104 0.000 2.227 306 Q HA 0.574 4.915 4.340 0.001 0.000 0.245 306 Q C -0.668 175.400 176.000 0.114 0.000 0.926 306 Q CA -0.479 55.395 55.803 0.118 0.000 0.895 306 Q CB 2.408 31.177 28.738 0.052 0.000 1.230 306 Q HN 0.521 nan 8.270 nan 0.000 0.450 307 I N 2.135 122.806 120.570 0.169 0.000 2.439 307 I HA 0.282 4.453 4.170 0.001 0.000 0.285 307 I C -0.023 176.260 176.117 0.278 0.000 1.021 307 I CA -0.332 61.087 61.300 0.199 0.000 1.091 307 I CB 1.271 39.371 38.000 0.167 0.000 1.242 307 I HN 0.364 nan 8.210 nan 0.000 0.439 308 M N 5.276 125.046 119.600 0.284 0.000 2.228 308 M HA 0.325 4.806 4.480 0.001 0.000 0.326 308 M C -0.744 175.829 176.300 0.456 0.000 1.122 308 M CA 0.248 55.763 55.300 0.360 0.000 1.161 308 M CB 1.446 34.212 32.600 0.276 0.000 1.437 308 M HN 0.590 nan 8.290 nan 0.000 0.465 309 W N 0.723 122.109 121.300 0.144 0.000 3.707 309 W HA 0.168 4.829 4.660 0.001 0.000 0.294 309 W C -0.545 176.007 176.519 0.055 0.000 1.248 309 W CA -0.522 56.883 57.345 0.100 0.000 1.217 309 W CB 1.646 31.191 29.460 0.141 0.000 1.306 309 W HN 0.790 nan 8.180 nan 0.000 0.532 310 T N 1.093 115.340 114.554 -0.511 0.000 3.054 310 T HA 0.507 4.858 4.350 0.001 0.000 0.255 310 T C 0.669 175.129 174.700 -0.399 0.000 1.035 310 T CA 0.939 62.804 62.100 -0.392 0.000 0.941 310 T CB 0.590 69.142 68.868 -0.526 0.000 1.026 310 T HN 1.357 nan 8.240 nan 0.000 0.533 311 G N 1.143 109.541 108.800 -0.670 0.000 2.384 311 G HA2 -0.122 3.839 3.960 0.001 0.000 0.204 311 G HA3 -0.122 3.839 3.960 0.001 0.000 0.204 311 G C -0.388 174.365 174.900 -0.245 0.000 1.237 311 G CA 0.031 45.018 45.100 -0.189 0.000 1.060 311 G HN 0.129 nan 8.290 nan 0.000 0.514 312 D N 0.888 121.242 120.400 -0.076 0.000 2.277 312 D HA 0.126 4.766 4.640 0.001 0.000 0.208 312 D C 1.462 177.634 176.300 -0.214 0.000 0.962 312 D CA 1.102 55.038 54.000 -0.108 0.000 0.865 312 D CB 0.189 40.952 40.800 -0.061 0.000 0.939 312 D HN 0.407 nan 8.370 nan 0.000 0.510 313 R N -1.154 119.185 120.500 -0.268 0.000 2.831 313 R HA 0.305 4.645 4.340 0.001 0.000 0.266 313 R C 1.167 177.167 176.300 -0.500 0.000 1.051 313 R CA -0.758 55.145 56.100 -0.329 0.000 0.943 313 R CB 1.488 31.669 30.300 -0.198 0.000 1.228 313 R HN -0.293 nan 8.270 nan 0.000 0.467 314 V N 1.200 120.720 119.914 -0.656 0.000 2.278 314 V HA -0.185 3.936 4.120 0.001 0.000 0.251 314 V C 1.043 176.714 176.094 -0.706 0.000 1.062 314 V CA 1.695 63.505 62.300 -0.816 0.000 1.038 314 V CB -0.251 30.908 31.823 -1.106 0.000 0.646 314 V HN 0.452 nan 8.190 nan 0.000 0.447 315 I N 0.734 120.897 120.570 -0.678 0.000 2.382 315 I HA 0.564 4.735 4.170 0.001 0.000 0.286 315 I C -0.240 175.583 176.117 -0.490 0.000 1.002 315 I CA 0.238 61.135 61.300 -0.672 0.000 1.135 315 I CB 0.954 38.458 38.000 -0.826 0.000 1.288 315 I HN 0.388 nan 8.210 nan 0.000 0.448 316 S N 4.168 119.680 115.700 -0.314 0.000 2.588 316 S HA 0.600 5.071 4.470 0.001 0.000 0.269 316 S C -1.463 173.278 174.600 0.236 0.000 1.157 316 S CA -0.987 57.208 58.200 -0.008 0.000 0.824 316 S CB 2.762 65.937 63.200 -0.042 0.000 1.126 316 S HN 0.418 nan 8.310 nan 0.000 0.464 317 D N 0.957 121.519 120.400 0.270 0.000 2.229 317 D HA 0.474 5.115 4.640 0.001 0.000 0.249 317 D C -0.175 176.186 176.300 0.102 0.000 1.027 317 D CA -0.469 53.670 54.000 0.232 0.000 0.923 317 D CB 0.893 41.782 40.800 0.149 0.000 1.174 317 D HN 0.501 nan 8.370 nan 0.000 0.443 318 I N 1.756 122.340 120.570 0.024 0.000 2.337 318 I HA 0.122 4.293 4.170 0.001 0.000 0.291 318 I C 1.157 177.330 176.117 0.093 0.000 1.046 318 I CA -0.326 61.034 61.300 0.100 0.000 1.324 318 I CB -0.200 37.901 38.000 0.170 0.000 1.409 318 I HN 0.283 nan 8.210 nan 0.000 0.494 319 T N 3.145 117.768 114.554 0.114 0.000 2.948 319 T HA 0.431 4.782 4.350 0.001 0.000 0.285 319 T C 1.075 175.844 174.700 0.115 0.000 1.019 319 T CA -0.741 61.419 62.100 0.100 0.000 1.013 319 T CB 2.224 71.145 68.868 0.089 0.000 1.117 319 T HN 0.648 nan 8.240 nan 0.000 0.533 320 R N -0.036 120.521 120.500 0.096 0.000 2.090 320 R HA -0.071 4.269 4.340 0.001 0.000 0.228 320 R C 1.238 177.601 176.300 0.105 0.000 1.110 320 R CA 1.411 57.566 56.100 0.092 0.000 0.973 320 R CB -0.486 29.857 30.300 0.071 0.000 0.869 320 R HN 0.685 nan 8.270 nan 0.000 0.440 321 D N -0.138 120.325 120.400 0.105 0.000 2.117 321 D HA -0.101 4.540 4.640 0.001 0.000 0.197 321 D C 1.727 178.132 176.300 0.175 0.000 0.987 321 D CA 1.638 55.713 54.000 0.125 0.000 0.829 321 D CB -0.525 40.336 40.800 0.101 0.000 0.961 321 D HN 0.493 nan 8.370 nan 0.000 0.460 322 G N 0.572 109.473 108.800 0.168 0.000 2.418 322 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 322 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 322 G C 1.690 176.760 174.900 0.283 0.000 1.158 322 G CA 0.360 45.597 45.100 0.229 0.000 0.771 322 G HN 0.269 nan 8.290 nan 0.000 0.545 323 I N 1.058 121.754 120.570 0.210 0.000 2.439 323 I HA -0.042 4.129 4.170 0.001 0.000 0.251 323 I C 2.780 178.956 176.117 0.098 0.000 1.139 323 I CA 1.179 62.573 61.300 0.157 0.000 1.438 323 I CB 0.054 38.139 38.000 0.142 0.000 1.085 323 I HN 0.104 nan 8.210 nan 0.000 0.427 324 S N -0.304 115.466 115.700 0.117 0.000 2.356 324 S HA -0.254 4.216 4.470 0.001 0.000 0.223 324 S C 1.637 176.283 174.600 0.076 0.000 1.032 324 S CA 1.539 59.786 58.200 0.078 0.000 1.005 324 S CB -0.907 62.343 63.200 0.085 0.000 0.867 324 S HN 0.701 nan 8.310 nan 0.000 0.449 325 W N 1.914 123.201 121.300 -0.022 0.000 2.335 325 W HA -0.169 4.491 4.660 -0.000 0.000 0.311 325 W C 2.005 178.444 176.519 -0.133 0.000 1.213 325 W CA 1.254 58.579 57.345 -0.034 0.000 1.274 325 W CB -0.407 29.070 29.460 0.029 0.000 1.148 325 W HN 0.243 nan 8.180 nan 0.000 0.498 326 I N 1.477 122.083 120.570 0.059 0.000 2.233 326 I HA -0.279 3.892 4.170 0.001 0.000 0.243 326 I C 1.921 177.820 176.117 -0.365 0.000 1.093 326 I CA 1.920 62.976 61.300 -0.407 0.000 1.380 326 I CB -1.027 36.309 38.000 -1.106 0.000 1.067 326 I HN -0.068 nan 8.210 nan 0.000 0.413 327 N N 1.384 119.957 118.700 -0.211 0.000 2.094 327 N HA -0.267 4.474 4.740 0.001 0.000 0.191 327 N C 1.667 177.080 175.510 -0.161 0.000 1.023 327 N CA 1.941 54.905 53.050 -0.143 0.000 0.857 327 N CB -0.635 37.814 38.487 -0.064 0.000 1.013 327 N HN 0.688 nan 8.380 nan 0.000 0.426 328 E N 0.231 120.317 120.200 -0.190 0.000 2.333 328 E HA -0.106 4.244 4.350 0.001 0.000 0.198 328 E C 1.659 178.114 176.600 -0.242 0.000 1.007 328 E CA 0.917 57.200 56.400 -0.195 0.000 0.845 328 E CB -0.099 29.482 29.700 -0.197 0.000 0.766 328 E HN 0.312 nan 8.360 nan 0.000 0.507 329 R N 0.477 120.782 120.500 -0.324 0.000 2.175 329 R HA 0.205 4.546 4.340 0.001 0.000 0.202 329 R C 2.425 178.596 176.300 -0.215 0.000 1.018 329 R CA 0.860 56.770 56.100 -0.317 0.000 1.029 329 R CB -0.036 29.982 30.300 -0.469 0.000 0.959 329 R HN 0.354 nan 8.270 nan 0.000 0.480 330 I N -2.068 118.384 120.570 -0.198 0.000 3.728 330 I HA 0.185 4.356 4.170 0.001 0.000 0.307 330 I C -0.179 175.889 176.117 -0.080 0.000 1.276 330 I CA 0.041 61.268 61.300 -0.123 0.000 1.285 330 I CB 0.470 38.409 38.000 -0.101 0.000 1.038 330 I HN -0.119 nan 8.210 nan 0.000 0.445 331 K N 1.768 122.115 120.400 -0.088 0.000 3.467 331 K HA -0.154 4.167 4.320 0.001 0.000 0.309 331 K C -0.170 176.414 176.600 -0.027 0.000 1.350 331 K CA 1.251 57.504 56.287 -0.058 0.000 0.934 331 K CB -1.752 30.719 32.500 -0.049 0.000 1.312 331 K HN 0.864 nan 8.250 nan 0.000 0.461 332 R N -1.885 118.605 120.500 -0.017 0.000 2.752 332 R HA 0.556 4.897 4.340 0.001 0.000 0.271 332 R C -3.182 173.134 176.300 0.026 0.000 1.026 332 R CA -2.010 54.101 56.100 0.019 0.000 0.901 332 R CB 1.144 31.474 30.300 0.050 0.000 1.243 332 R HN -0.307 nan 8.270 nan 0.000 0.463 333 P HA 0.112 nan 4.420 nan 0.000 0.271 333 P C -0.456 176.913 177.300 0.116 0.000 1.233 333 P CA 0.045 63.186 63.100 0.068 0.000 0.764 333 P CB 0.926 32.670 31.700 0.074 0.000 0.825 334 A N 4.060 126.941 122.820 0.101 0.000 2.520 334 A HA 0.032 4.353 4.320 0.001 0.000 0.235 334 A C -0.579 177.164 177.584 0.265 0.000 1.065 334 A CA 0.199 52.336 52.037 0.167 0.000 0.764 334 A CB -0.430 18.643 19.000 0.122 0.000 1.002 334 A HN 0.605 nan 8.150 nan 0.000 0.502 335 Y N 3.373 123.792 120.300 0.197 0.000 2.491 335 Y HA 0.373 4.924 4.550 0.001 0.000 0.334 335 Y C -0.124 175.901 175.900 0.208 0.000 0.969 335 Y CA -1.071 57.154 58.100 0.209 0.000 1.241 335 Y CB 0.416 38.996 38.460 0.201 0.000 1.105 335 Y HN 0.478 nan 8.280 nan 0.000 0.503 336 I N 5.942 126.634 120.570 0.203 0.000 2.556 336 I HA -0.127 4.044 4.170 0.001 0.000 0.284 336 I C -0.212 175.944 176.117 0.066 0.000 1.114 336 I CA -0.123 61.231 61.300 0.090 0.000 1.418 336 I CB 0.318 38.180 38.000 -0.231 0.000 1.394 336 I HN 0.716 nan 8.210 nan 0.000 0.552 337 W N 9.242 130.479 121.300 -0.105 0.000 2.299 337 W HA 0.221 4.883 4.660 0.002 0.000 0.319 337 W C -1.438 174.975 176.519 -0.176 0.000 1.008 337 W CA -1.649 55.602 57.345 -0.157 0.000 1.384 337 W CB 1.018 30.355 29.460 -0.205 0.000 1.220 337 W HN 0.564 nan 8.180 nan 0.000 0.402 338 W N 7.927 129.129 121.300 -0.163 0.000 2.332 338 W HA 0.277 4.937 4.660 0.001 0.000 0.306 338 W C 0.226 176.753 176.519 0.012 0.000 1.149 338 W CA -0.707 56.544 57.345 -0.156 0.000 1.271 338 W CB 0.594 29.889 29.460 -0.276 0.000 1.243 338 W HN 0.246 nan 8.180 nan 0.000 0.459 339 N N 6.896 125.436 118.700 -0.268 0.000 3.303 339 N HA 0.079 4.820 4.740 0.001 0.000 0.304 339 N C -1.570 173.588 175.510 -0.585 0.000 1.302 339 N CA 0.207 53.063 53.050 -0.323 0.000 1.213 339 N CB -0.605 37.702 38.487 -0.299 0.000 1.481 339 N HN 0.335 nan 8.380 nan 0.000 0.546 340 F N 0.968 120.349 119.950 -0.949 0.000 2.615 340 F HA 0.378 4.906 4.527 0.001 0.000 0.312 340 F C -2.342 173.116 175.800 -0.569 0.000 1.119 340 F CA -1.768 55.681 58.000 -0.918 0.000 0.979 340 F CB 2.490 40.569 39.000 -1.536 0.000 1.266 340 F HN -0.053 nan 8.300 nan 0.000 0.444 341 P HA 0.064 nan 4.420 nan 0.000 0.263 341 P C 0.141 176.994 177.300 -0.744 0.000 1.448 341 P CA 0.228 62.325 63.100 -1.671 0.000 0.983 341 P CB 0.531 31.430 31.700 -1.335 0.000 1.481 342 V N 2.210 121.854 119.914 -0.449 0.000 2.832 342 V HA -0.109 4.012 4.120 0.001 0.000 0.299 342 V C 1.165 177.098 176.094 -0.267 0.000 1.201 342 V CA 1.928 64.065 62.300 -0.271 0.000 1.325 342 V CB 0.144 31.903 31.823 -0.107 0.000 0.871 342 V HN 0.469 nan 8.190 nan 0.000 0.509 343 S N 1.717 117.249 115.700 -0.280 0.000 2.952 343 S HA 0.173 4.644 4.470 0.001 0.000 0.251 343 S C 0.618 175.043 174.600 -0.292 0.000 1.021 343 S CA 0.096 58.082 58.200 -0.357 0.000 1.067 343 S CB 0.173 63.208 63.200 -0.275 0.000 1.002 343 S HN 0.966 nan 8.310 nan 0.000 0.574 344 D N 1.520 121.855 120.400 -0.109 0.000 2.378 344 D HA -0.116 4.524 4.640 0.001 0.000 0.227 344 D C 0.954 177.306 176.300 0.086 0.000 1.012 344 D CA 0.352 54.372 54.000 0.033 0.000 0.905 344 D CB -0.707 40.200 40.800 0.179 0.000 0.895 344 D HN 0.776 nan 8.370 nan 0.000 0.532 345 Y N -1.302 119.008 120.300 0.017 0.000 2.527 345 Y HA 0.398 4.949 4.550 0.002 0.000 0.247 345 Y C 0.306 176.220 175.900 0.024 0.000 1.138 345 Y CA -0.738 57.363 58.100 0.001 0.000 1.228 345 Y CB 0.275 38.743 38.460 0.013 0.000 1.252 345 Y HN -0.039 nan 8.280 nan 0.000 0.531 346 V N -1.745 117.940 119.914 -0.382 0.000 2.637 346 V HA 0.470 4.591 4.120 0.001 0.000 0.296 346 V C 0.711 176.796 176.094 -0.015 0.000 1.118 346 V CA -0.729 61.450 62.300 -0.201 0.000 1.230 346 V CB 0.285 31.870 31.823 -0.397 0.000 1.360 346 V HN 0.265 nan 8.190 nan 0.000 0.620 347 R N 1.323 121.864 120.500 0.068 0.000 2.237 347 R HA -0.061 4.279 4.340 0.001 0.000 0.219 347 R C 1.389 177.872 176.300 0.305 0.000 1.080 347 R CA 1.594 57.782 56.100 0.147 0.000 0.995 347 R CB 0.034 30.433 30.300 0.166 0.000 0.875 347 R HN 0.870 nan 8.270 nan 0.000 0.462 348 D N -0.806 119.787 120.400 0.322 0.000 2.349 348 D HA -0.066 4.575 4.640 0.001 0.000 0.224 348 D C 0.247 176.846 176.300 0.498 0.000 1.029 348 D CA 0.556 54.790 54.000 0.390 0.000 0.879 348 D CB -0.148 40.768 40.800 0.193 0.000 0.906 348 D HN 0.241 nan 8.370 nan 0.000 0.528 349 H N -0.097 119.130 119.070 0.261 0.000 2.569 349 H HA 0.426 4.983 4.556 0.002 0.000 0.357 349 H C -0.199 175.001 175.328 -0.213 0.000 1.153 349 H CA -0.911 55.203 56.048 0.111 0.000 1.193 349 H CB 2.252 32.024 29.762 0.017 0.000 1.602 349 H HN -0.103 nan 8.280 nan 0.000 0.523 350 L N 3.590 124.567 121.223 -0.409 0.000 2.307 350 L HA 0.291 4.632 4.340 0.001 0.000 0.282 350 L C -0.110 176.629 176.870 -0.219 0.000 1.051 350 L CA -0.644 53.905 54.840 -0.485 0.000 0.804 350 L CB 1.091 42.690 42.059 -0.766 0.000 1.197 350 L HN 0.319 nan 8.230 nan 0.000 0.431 351 L N 5.625 126.737 121.223 -0.185 0.000 2.287 351 L HA 0.331 4.672 4.340 0.001 0.000 0.280 351 L C 0.386 177.229 176.870 -0.044 0.000 1.055 351 L CA -0.094 54.696 54.840 -0.084 0.000 0.863 351 L CB 0.546 42.516 42.059 -0.148 0.000 1.245 351 L HN 0.657 nan 8.230 nan 0.000 0.432 352 L N 2.037 123.280 121.223 0.034 0.000 2.857 352 L HA 0.332 4.673 4.340 0.001 0.000 0.249 352 L C 1.264 178.339 176.870 0.343 0.000 1.172 352 L CA -0.192 54.720 54.840 0.120 0.000 0.980 352 L CB 0.455 42.530 42.059 0.026 0.000 1.299 352 L HN 0.627 nan 8.230 nan 0.000 0.535 353 G N 0.606 109.578 108.800 0.287 0.000 2.563 353 G HA2 0.408 4.368 3.960 0.001 0.000 0.283 353 G HA3 0.408 4.368 3.960 0.001 0.000 0.283 353 G C -2.546 172.417 174.900 0.106 0.000 1.309 353 G CA -0.931 44.241 45.100 0.120 0.000 1.022 353 G HN -0.121 nan 8.290 nan 0.000 0.501 354 P HA 0.203 nan 4.420 nan 0.000 0.270 354 P C -0.393 176.920 177.300 0.021 0.000 1.223 354 P CA -0.399 62.523 63.100 -0.298 0.000 0.785 354 P CB 0.812 31.917 31.700 -0.991 0.000 0.923 355 V N 3.450 123.471 119.914 0.178 0.000 2.383 355 V HA 0.400 4.521 4.120 0.001 0.000 0.275 355 V C -0.140 176.044 176.094 0.150 0.000 1.036 355 V CA 0.306 62.724 62.300 0.196 0.000 0.889 355 V CB -0.614 31.432 31.823 0.372 0.000 0.985 355 V HN 0.639 nan 8.190 nan 0.000 0.459 356 Y N 1.999 122.240 120.300 -0.097 0.000 2.725 356 Y HA 0.804 5.355 4.550 0.001 0.000 0.333 356 Y C 0.675 176.499 175.900 -0.126 0.000 1.242 356 Y CA -0.420 57.604 58.100 -0.127 0.000 1.059 356 Y CB 1.309 39.675 38.460 -0.157 0.000 1.306 356 Y HN 0.781 nan 8.280 nan 0.000 0.454 357 G N 0.742 109.568 108.800 0.043 0.000 2.258 357 G HA2 -0.246 3.714 3.960 0.001 0.000 0.233 357 G HA3 -0.246 3.714 3.960 0.001 0.000 0.233 357 G C -0.633 174.209 174.900 -0.097 0.000 1.006 357 G CA -0.029 45.065 45.100 -0.011 0.000 0.620 357 G HN 0.742 nan 8.290 nan 0.000 0.511 358 N N 1.944 120.465 118.700 -0.298 0.000 2.472 358 N HA 0.344 5.085 4.740 0.001 0.000 0.277 358 N C -0.596 174.851 175.510 -0.105 0.000 1.081 358 N CA -0.369 52.484 53.050 -0.328 0.000 0.973 358 N CB 1.354 39.347 38.487 -0.823 0.000 1.105 358 N HN 0.345 nan 8.380 nan 0.000 0.470 359 D N 0.844 121.257 120.400 0.021 0.000 2.525 359 D HA -0.060 4.580 4.640 0.001 0.000 0.235 359 D C 0.727 177.117 176.300 0.151 0.000 1.137 359 D CA 0.561 54.611 54.000 0.083 0.000 0.868 359 D CB 0.820 41.668 40.800 0.080 0.000 1.180 359 D HN 0.556 nan 8.370 nan 0.000 0.465 360 T N -0.878 113.754 114.554 0.130 0.000 3.105 360 T HA 0.017 4.367 4.350 0.001 0.000 0.253 360 T C 1.279 175.982 174.700 0.005 0.000 1.047 360 T CA 0.323 62.488 62.100 0.109 0.000 0.944 360 T CB -0.095 68.858 68.868 0.142 0.000 1.016 360 T HN 0.399 nan 8.240 nan 0.000 0.544 361 T N -0.199 114.365 114.554 0.017 0.000 3.085 361 T HA 0.326 4.677 4.350 0.001 0.000 0.264 361 T C 1.175 175.870 174.700 -0.009 0.000 1.019 361 T CA -0.491 61.607 62.100 -0.003 0.000 0.910 361 T CB -0.733 68.144 68.868 0.015 0.000 1.059 361 T HN 0.651 nan 8.240 nan 0.000 0.542 362 I N -1.885 118.680 120.570 -0.008 0.000 3.927 362 I HA 0.688 4.859 4.170 0.001 0.000 0.332 362 I C 2.068 178.175 176.117 -0.016 0.000 1.485 362 I CA -0.715 60.591 61.300 0.010 0.000 1.131 362 I CB -0.252 37.782 38.000 0.056 0.000 1.092 362 I HN 0.081 nan 8.210 nan 0.000 0.410 363 A N 2.446 125.219 122.820 -0.078 0.000 1.958 363 A HA -0.227 4.094 4.320 0.001 0.000 0.221 363 A C 2.285 179.836 177.584 -0.054 0.000 1.178 363 A CA 1.853 53.823 52.037 -0.110 0.000 0.642 363 A CB -0.463 18.436 19.000 -0.169 0.000 0.816 363 A HN 0.547 nan 8.150 nan 0.000 0.453 364 K N -0.464 119.917 120.400 -0.032 0.000 2.439 364 K HA -0.044 4.277 4.320 0.001 0.000 0.197 364 K C 0.765 177.368 176.600 0.006 0.000 1.041 364 K CA 0.917 57.196 56.287 -0.014 0.000 0.970 364 K CB 0.095 32.589 32.500 -0.009 0.000 0.773 364 K HN 0.470 nan 8.250 nan 0.000 0.479 365 E N 0.423 120.634 120.200 0.019 0.000 2.474 365 E HA 0.062 4.413 4.350 0.001 0.000 0.195 365 E C 0.556 177.192 176.600 0.060 0.000 1.039 365 E CA 0.258 56.680 56.400 0.037 0.000 0.881 365 E CB 0.183 29.911 29.700 0.047 0.000 0.970 365 E HN 0.401 nan 8.360 nan 0.000 0.486 366 M N -2.006 117.631 119.600 0.061 0.000 2.395 366 M HA 0.511 4.992 4.480 0.001 0.000 0.307 366 M C 0.374 176.715 176.300 0.068 0.000 1.091 366 M CA -0.671 54.684 55.300 0.091 0.000 0.919 366 M CB 2.257 34.940 32.600 0.139 0.000 1.662 366 M HN -0.407 nan 8.290 nan 0.000 0.440 367 S N 1.321 117.086 115.700 0.108 0.000 2.436 367 S HA 0.321 4.792 4.470 0.001 0.000 0.228 367 S C 0.705 175.336 174.600 0.052 0.000 1.014 367 S CA 0.903 59.188 58.200 0.141 0.000 0.950 367 S CB 0.077 63.475 63.200 0.329 0.000 0.784 367 S HN 0.951 nan 8.310 nan 0.000 0.504 368 G N -0.257 108.436 108.800 -0.178 0.000 2.646 368 G HA2 0.583 4.544 3.960 0.001 0.000 0.291 368 G HA3 0.583 4.544 3.960 0.001 0.000 0.291 368 G C -2.108 172.642 174.900 -0.250 0.000 1.445 368 G CA -0.675 44.154 45.100 -0.452 0.000 0.814 368 G HN 0.139 nan 8.290 nan 0.000 0.495 369 F N 1.653 121.462 119.950 -0.234 0.000 2.671 369 F HA 0.571 5.099 4.527 0.002 0.000 0.332 369 F C -0.270 175.533 175.800 0.006 0.000 1.189 369 F CA -0.786 57.188 58.000 -0.044 0.000 0.988 369 F CB 1.868 40.887 39.000 0.032 0.000 1.258 369 F HN 0.543 nan 8.300 nan 0.000 0.471 370 V N 2.102 121.999 119.914 -0.029 0.000 2.769 370 V HA 0.721 4.842 4.120 0.001 0.000 0.312 370 V C -0.490 175.596 176.094 -0.014 0.000 1.061 370 V CA -0.616 61.707 62.300 0.038 0.000 0.931 370 V CB 1.382 33.191 31.823 -0.022 0.000 1.010 370 V HN 0.727 nan 8.190 nan 0.000 0.433 371 T N 2.592 117.205 114.554 0.098 0.000 2.799 371 T HA 0.376 4.727 4.350 0.001 0.000 0.286 371 T C -0.214 174.406 174.700 -0.134 0.000 0.973 371 T CA -0.339 61.828 62.100 0.111 0.000 1.035 371 T CB 0.630 69.685 68.868 0.311 0.000 0.932 371 T HN 0.949 nan 8.240 nan 0.000 0.469 372 N N 6.204 124.754 118.700 -0.251 0.000 2.406 372 N HA 0.427 5.168 4.740 0.001 0.000 0.251 372 N C -2.354 173.070 175.510 -0.144 0.000 1.069 372 N CA -1.857 51.014 53.050 -0.298 0.000 0.947 372 N CB 1.106 39.441 38.487 -0.253 0.000 1.111 372 N HN 0.427 nan 8.380 nan 0.000 0.497 373 P HA 0.275 nan 4.420 nan 0.000 0.301 373 P C -0.253 176.955 177.300 -0.153 0.000 1.309 373 P CA -0.597 62.499 63.100 -0.008 0.000 0.782 373 P CB 1.263 33.151 31.700 0.313 0.000 1.282 374 M N 0.437 119.928 119.600 -0.182 0.000 2.241 374 M HA 0.054 4.535 4.480 0.001 0.000 0.335 374 M C 1.852 177.797 176.300 -0.591 0.000 1.122 374 M CA 0.157 55.230 55.300 -0.380 0.000 1.164 374 M CB 0.342 32.801 32.600 -0.234 0.000 1.459 374 M HN 0.480 nan 8.290 nan 0.000 0.461 375 E N 0.977 120.506 120.200 -1.118 0.000 2.396 375 E HA -0.174 4.177 4.350 0.001 0.000 0.200 375 E C -0.337 176.088 176.600 -0.292 0.000 1.023 375 E CA 1.091 56.886 56.400 -1.008 0.000 0.857 375 E CB -0.117 29.083 29.700 -0.833 0.000 0.775 375 E HN 0.523 nan 8.360 nan 0.000 0.525 376 H N 0.587 119.602 119.070 -0.092 0.000 2.969 376 H HA 0.313 4.870 4.556 0.001 0.000 0.269 376 H C 0.826 176.080 175.328 -0.124 0.000 1.223 376 H CA 0.242 56.234 56.048 -0.094 0.000 1.400 376 H CB 1.256 30.913 29.762 -0.176 0.000 1.500 376 H HN 0.252 nan 8.280 nan 0.000 0.486 377 A N 3.759 126.446 122.820 -0.222 0.000 1.851 377 A HA -0.171 4.150 4.320 0.001 0.000 0.216 377 A C 2.133 179.432 177.584 -0.476 0.000 1.195 377 A CA 1.180 52.776 52.037 -0.735 0.000 0.622 377 A CB 0.015 18.235 19.000 -1.300 0.000 0.831 377 A HN 0.552 nan 8.150 nan 0.000 0.444 378 E N 0.178 120.155 120.200 -0.371 0.000 2.150 378 E HA -0.078 4.273 4.350 0.001 0.000 0.193 378 E C 2.302 178.752 176.600 -0.250 0.000 0.985 378 E CA 1.170 57.368 56.400 -0.336 0.000 0.814 378 E CB -0.437 29.098 29.700 -0.275 0.000 0.752 378 E HN 0.553 nan 8.360 nan 0.000 0.466 379 S N 1.093 116.688 115.700 -0.174 0.000 2.419 379 S HA -0.080 4.390 4.470 0.001 0.000 0.233 379 S C 2.013 176.548 174.600 -0.107 0.000 1.016 379 S CA 0.871 58.990 58.200 -0.135 0.000 0.974 379 S CB -0.049 63.069 63.200 -0.137 0.000 0.786 379 S HN 0.150 nan 8.310 nan 0.000 0.492 380 S N 1.067 116.711 115.700 -0.094 0.000 2.522 380 S HA 0.095 4.566 4.470 0.001 0.000 0.227 380 S C 1.509 176.116 174.600 0.011 0.000 0.986 380 S CA 0.346 58.531 58.200 -0.026 0.000 0.929 380 S CB -0.025 63.223 63.200 0.081 0.000 0.769 380 S HN 0.462 nan 8.310 nan 0.000 0.529 381 K N 1.102 121.431 120.400 -0.119 0.000 2.283 381 K HA 0.050 4.371 4.320 0.001 0.000 0.202 381 K C 1.584 178.258 176.600 0.123 0.000 1.048 381 K CA 0.775 56.972 56.287 -0.150 0.000 0.948 381 K CB -0.247 31.830 32.500 -0.705 0.000 0.742 381 K HN 0.378 nan 8.250 nan 0.000 0.458 382 I N 0.788 121.397 120.570 0.066 0.000 2.113 382 I HA -0.288 3.883 4.170 0.001 0.000 0.238 382 I C 2.493 178.793 176.117 0.305 0.000 1.070 382 I CA 1.316 62.691 61.300 0.125 0.000 1.332 382 I CB -0.413 37.631 38.000 0.073 0.000 1.044 382 I HN 0.118 nan 8.210 nan 0.000 0.402 383 A N 0.882 123.887 122.820 0.309 0.000 1.902 383 A HA -0.169 4.151 4.320 0.001 0.000 0.217 383 A C 2.311 180.155 177.584 0.432 0.000 1.181 383 A CA 1.558 53.849 52.037 0.422 0.000 0.623 383 A CB -0.899 18.313 19.000 0.354 0.000 0.818 383 A HN 0.400 nan 8.150 nan 0.000 0.443 384 I N -2.196 118.611 120.570 0.396 0.000 2.179 384 I HA -0.271 3.900 4.170 0.001 0.000 0.242 384 I C 2.453 178.858 176.117 0.481 0.000 1.088 384 I CA 1.798 63.360 61.300 0.436 0.000 1.357 384 I CB -0.423 37.871 38.000 0.489 0.000 1.051 384 I HN 0.541 nan 8.210 nan 0.000 0.409 385 Y N 1.328 121.884 120.300 0.426 0.000 2.207 385 Y HA -0.297 4.254 4.550 0.001 0.000 0.287 385 Y C 2.742 178.772 175.900 0.217 0.000 1.156 385 Y CA 1.981 60.240 58.100 0.265 0.000 1.182 385 Y CB -0.037 38.609 38.460 0.310 0.000 0.979 385 Y HN 0.067 nan 8.280 nan 0.000 0.521 386 S N -0.734 115.288 115.700 0.538 0.000 2.355 386 S HA -0.170 4.301 4.470 0.001 0.000 0.222 386 S C 2.049 176.821 174.600 0.287 0.000 1.031 386 S CA 1.309 59.800 58.200 0.486 0.000 0.993 386 S CB -0.636 62.880 63.200 0.527 0.000 0.859 386 S HN 0.315 nan 8.310 nan 0.000 0.453 387 V N 2.276 122.342 119.914 0.254 0.000 2.392 387 V HA -0.222 3.898 4.120 0.001 0.000 0.249 387 V C 2.649 178.805 176.094 0.103 0.000 1.059 387 V CA 1.674 64.064 62.300 0.151 0.000 1.051 387 V CB -1.266 30.768 31.823 0.353 0.000 0.658 387 V HN 0.531 nan 8.190 nan 0.000 0.455 388 A N -0.725 122.159 122.820 0.107 0.000 1.883 388 A HA -0.272 4.049 4.320 0.001 0.000 0.217 388 A C 2.564 180.135 177.584 -0.022 0.000 1.186 388 A CA 2.424 54.469 52.037 0.012 0.000 0.624 388 A CB -0.915 18.038 19.000 -0.080 0.000 0.822 388 A HN 0.472 nan 8.150 nan 0.000 0.444 389 S N -2.023 113.665 115.700 -0.019 0.000 2.368 389 S HA -0.202 4.269 4.470 0.001 0.000 0.225 389 S C 1.900 176.562 174.600 0.103 0.000 1.030 389 S CA 1.723 59.947 58.200 0.039 0.000 0.999 389 S CB -0.536 62.763 63.200 0.164 0.000 0.844 389 S HN 0.709 nan 8.310 nan 0.000 0.459 390 Y N 1.790 121.962 120.300 -0.213 0.000 2.145 390 Y HA 0.029 4.580 4.550 0.001 0.000 0.286 390 Y C 2.270 177.954 175.900 -0.360 0.000 1.145 390 Y CA 1.424 59.194 58.100 -0.551 0.000 1.148 390 Y CB -0.885 36.860 38.460 -1.192 0.000 0.981 390 Y HN 0.258 nan 8.280 nan 0.000 0.507 391 A N 0.616 123.219 122.820 -0.363 0.000 2.014 391 A HA -0.133 4.188 4.320 0.001 0.000 0.218 391 A C 2.183 179.617 177.584 -0.250 0.000 1.163 391 A CA 1.074 52.846 52.037 -0.442 0.000 0.652 391 A CB -1.413 17.493 19.000 -0.155 0.000 0.808 391 A HN 0.854 nan 8.150 nan 0.000 0.449 392 W N 0.525 121.655 121.300 -0.282 0.000 2.413 392 W HA -0.005 4.656 4.660 0.001 0.000 0.315 392 W C 0.034 176.391 176.519 -0.271 0.000 1.186 392 W CA 1.564 58.765 57.345 -0.240 0.000 1.326 392 W CB -0.085 29.247 29.460 -0.215 0.000 1.153 392 W HN 0.380 nan 8.180 nan 0.000 0.489 393 N N 0.507 119.221 118.700 0.023 0.000 2.844 393 N HA 0.175 4.915 4.740 0.001 0.000 0.268 393 N C -2.058 173.385 175.510 -0.112 0.000 1.574 393 N CA -1.906 51.101 53.050 -0.072 0.000 0.838 393 N CB 0.725 39.263 38.487 0.086 0.000 1.177 393 N HN -0.166 nan 8.380 nan 0.000 0.495 394 P HA -0.101 nan 4.420 nan 0.000 0.218 394 P C 1.055 178.325 177.300 -0.049 0.000 1.148 394 P CA 0.953 63.864 63.100 -0.315 0.000 0.822 394 P CB 0.273 31.633 31.700 -0.567 0.000 0.784 395 A N -0.124 122.655 122.820 -0.069 0.000 1.972 395 A HA -0.133 4.187 4.320 0.001 0.000 0.219 395 A C 1.878 179.476 177.584 0.024 0.000 1.169 395 A CA 1.551 53.576 52.037 -0.020 0.000 0.635 395 A CB -0.655 18.316 19.000 -0.048 0.000 0.810 395 A HN 0.026 nan 8.150 nan 0.000 0.446 396 K N -1.112 119.309 120.400 0.034 0.000 2.440 396 K HA 0.179 4.500 4.320 0.001 0.000 0.206 396 K C -0.558 176.096 176.600 0.090 0.000 1.025 396 K CA -0.581 55.733 56.287 0.045 0.000 1.135 396 K CB -0.447 32.066 32.500 0.020 0.000 0.856 396 K HN 0.503 nan 8.250 nan 0.000 0.502 397 Y N 2.392 122.704 120.300 0.020 0.000 2.632 397 Y HA 0.002 4.553 4.550 0.001 0.000 0.329 397 Y C -0.196 175.745 175.900 0.068 0.000 1.174 397 Y CA -0.297 57.840 58.100 0.062 0.000 1.469 397 Y CB 0.387 38.926 38.460 0.132 0.000 1.242 397 Y HN -0.009 nan 8.280 nan 0.000 0.540 398 D N 4.893 124.895 120.400 -0.663 0.000 2.440 398 D HA 0.166 4.807 4.640 0.001 0.000 0.252 398 D C 0.529 176.418 176.300 -0.685 0.000 1.180 398 D CA -0.176 53.557 54.000 -0.446 0.000 0.894 398 D CB 1.367 42.067 40.800 -0.166 0.000 1.111 398 D HN 0.764 nan 8.370 nan 0.000 0.544 399 T N 2.191 116.346 114.554 -0.663 0.000 2.544 399 T HA -0.217 4.134 4.350 0.001 0.000 0.264 399 T C 1.522 176.072 174.700 -0.249 0.000 1.096 399 T CA 1.491 63.304 62.100 -0.478 0.000 1.181 399 T CB -0.396 68.243 68.868 -0.382 0.000 0.864 399 T HN 0.544 nan 8.240 nan 0.000 0.415 400 W N 1.099 122.365 121.300 -0.057 0.000 2.379 400 W HA -0.042 4.619 4.660 0.001 0.000 0.307 400 W C 2.953 179.568 176.519 0.161 0.000 1.200 400 W CA 0.602 57.984 57.345 0.061 0.000 1.297 400 W CB -0.574 28.881 29.460 -0.008 0.000 1.140 400 W HN 0.183 nan 8.180 nan 0.000 0.507 401 Q N 0.031 119.997 119.800 0.277 0.000 2.181 401 Q HA -0.149 4.192 4.340 0.001 0.000 0.205 401 Q C 1.868 177.982 176.000 0.191 0.000 0.980 401 Q CA 2.366 58.287 55.803 0.196 0.000 0.862 401 Q CB -0.692 28.107 28.738 0.102 0.000 0.905 401 Q HN 0.140 nan 8.270 nan 0.000 0.429 402 T N -0.927 113.721 114.554 0.156 0.000 2.896 402 T HA -0.094 4.256 4.350 0.001 0.000 0.263 402 T C 0.933 175.833 174.700 0.332 0.000 1.050 402 T CA 0.778 63.021 62.100 0.237 0.000 1.140 402 T CB -0.484 68.497 68.868 0.187 0.000 0.877 402 T HN 0.509 nan 8.240 nan 0.000 0.457 403 W N 2.672 124.028 121.300 0.093 0.000 2.318 403 W HA -0.161 4.500 4.660 0.002 0.000 0.313 403 W C 2.037 178.596 176.519 0.066 0.000 1.221 403 W CA 1.305 58.696 57.345 0.076 0.000 1.266 403 W CB -0.191 29.280 29.460 0.019 0.000 1.150 403 W HN 0.139 nan 8.180 nan 0.000 0.496 404 K N -0.450 120.063 120.400 0.188 0.000 2.026 404 K HA -0.190 4.131 4.320 0.001 0.000 0.208 404 K C 1.603 178.119 176.600 -0.141 0.000 1.048 404 K CA 1.766 58.008 56.287 -0.075 0.000 0.929 404 K CB -0.572 31.999 32.500 0.119 0.000 0.713 404 K HN 0.048 nan 8.250 nan 0.000 0.439 405 D N 0.877 121.261 120.400 -0.028 0.000 2.123 405 D HA -0.166 4.474 4.640 0.001 0.000 0.196 405 D C 1.859 177.906 176.300 -0.421 0.000 0.992 405 D CA 1.440 55.403 54.000 -0.062 0.000 0.833 405 D CB -0.311 40.601 40.800 0.186 0.000 0.954 405 D HN 0.223 nan 8.370 nan 0.000 0.455 406 A N 0.696 123.109 122.820 -0.677 0.000 1.883 406 A HA -0.180 4.141 4.320 0.001 0.000 0.217 406 A C 2.402 179.656 177.584 -0.549 0.000 1.186 406 A CA 1.164 52.564 52.037 -1.062 0.000 0.624 406 A CB -0.833 17.873 19.000 -0.490 0.000 0.822 406 A HN 0.220 nan 8.150 nan 0.000 0.444 407 I N -1.305 118.989 120.570 -0.460 0.000 2.226 407 I HA -0.230 3.941 4.170 0.001 0.000 0.245 407 I C 2.693 178.643 176.117 -0.279 0.000 1.100 407 I CA 1.688 62.750 61.300 -0.396 0.000 1.374 407 I CB -0.204 37.465 38.000 -0.552 0.000 1.057 407 I HN 0.335 nan 8.210 nan 0.000 0.413 408 R N 0.070 120.421 120.500 -0.248 0.000 2.148 408 R HA -0.103 4.238 4.340 0.001 0.000 0.223 408 R C 2.067 178.288 176.300 -0.132 0.000 1.088 408 R CA 1.491 57.495 56.100 -0.160 0.000 0.985 408 R CB -0.051 30.179 30.300 -0.117 0.000 0.880 408 R HN 0.218 nan 8.270 nan 0.000 0.451 409 T N 0.287 114.741 114.554 -0.167 0.000 2.894 409 T HA 0.078 4.429 4.350 0.001 0.000 0.258 409 T C 1.660 176.330 174.700 -0.051 0.000 1.043 409 T CA 0.908 62.957 62.100 -0.084 0.000 1.141 409 T CB 0.047 68.870 68.868 -0.075 0.000 0.873 409 T HN 0.133 nan 8.240 nan 0.000 0.449 410 I N 0.101 120.607 120.570 -0.106 0.000 2.252 410 I HA -0.002 4.169 4.170 0.001 0.000 0.245 410 I C 0.634 176.683 176.117 -0.114 0.000 1.102 410 I CA 1.015 62.249 61.300 -0.110 0.000 1.385 410 I CB 0.195 38.092 38.000 -0.172 0.000 1.064 410 I HN 0.112 nan 8.210 nan 0.000 0.414 411 L N 1.232 122.382 121.223 -0.122 0.000 2.511 411 L HA 0.317 4.658 4.340 0.001 0.000 0.252 411 L C -1.864 174.949 176.870 -0.095 0.000 1.542 411 L CA -1.160 53.615 54.840 -0.108 0.000 0.822 411 L CB 0.770 42.756 42.059 -0.122 0.000 1.050 411 L HN -0.209 nan 8.230 nan 0.000 0.516 412 P HA -0.162 nan 4.420 nan 0.000 0.218 412 P C 1.278 178.543 177.300 -0.059 0.000 1.148 412 P CA 1.495 64.555 63.100 -0.067 0.000 0.822 412 P CB 0.202 31.870 31.700 -0.054 0.000 0.784 413 S N -1.041 114.625 115.700 -0.057 0.000 2.522 413 S HA 0.219 4.690 4.470 0.001 0.000 0.227 413 S C 1.361 175.931 174.600 -0.050 0.000 0.986 413 S CA 0.491 58.661 58.200 -0.049 0.000 0.929 413 S CB -0.465 62.707 63.200 -0.046 0.000 0.769 413 S HN 0.156 nan 8.310 nan 0.000 0.529 414 A N 0.036 122.819 122.820 -0.062 0.000 3.415 414 A HA 0.860 5.181 4.320 0.001 0.000 0.244 414 A C 1.098 178.640 177.584 -0.069 0.000 0.988 414 A CA -0.005 51.997 52.037 -0.058 0.000 0.991 414 A CB -0.216 18.747 19.000 -0.060 0.000 1.240 414 A HN 0.440 nan 8.150 nan 0.000 0.541 415 A N 0.436 123.212 122.820 -0.073 0.000 1.873 415 A HA -0.103 4.218 4.320 0.001 0.000 0.215 415 A C 1.701 179.235 177.584 -0.083 0.000 1.186 415 A CA 1.807 53.783 52.037 -0.100 0.000 0.616 415 A CB -0.339 18.600 19.000 -0.102 0.000 0.823 415 A HN 0.651 nan 8.150 nan 0.000 0.442 416 E N -0.307 119.869 120.200 -0.040 0.000 2.110 416 E HA -0.206 4.144 4.350 0.001 0.000 0.193 416 E C 1.945 178.559 176.600 0.022 0.000 0.988 416 E CA 1.410 57.809 56.400 -0.002 0.000 0.804 416 E CB -0.174 29.539 29.700 0.021 0.000 0.745 416 E HN 0.677 nan 8.360 nan 0.000 0.458 417 E N 0.754 120.960 120.200 0.010 0.000 2.107 417 E HA -0.147 4.204 4.350 0.001 0.000 0.191 417 E C 1.860 178.480 176.600 0.033 0.000 0.982 417 E CA 0.406 56.826 56.400 0.033 0.000 0.809 417 E CB -0.106 29.594 29.700 0.001 0.000 0.756 417 E HN 0.073 nan 8.360 nan 0.000 0.459 418 L N 1.242 122.449 121.223 -0.027 0.000 2.093 418 L HA -0.133 4.208 4.340 0.001 0.000 0.208 418 L C 1.835 178.703 176.870 -0.003 0.000 1.085 418 L CA 1.809 56.634 54.840 -0.026 0.000 0.755 418 L CB -0.294 41.703 42.059 -0.104 0.000 0.904 418 L HN 0.093 nan 8.230 nan 0.000 0.435 419 E N -1.285 118.872 120.200 -0.072 0.000 2.058 419 E HA -0.304 4.046 4.350 0.001 0.000 0.194 419 E C 2.357 179.066 176.600 0.181 0.000 0.997 419 E CA 1.649 58.010 56.400 -0.064 0.000 0.801 419 E CB -0.415 29.244 29.700 -0.068 0.000 0.746 419 E HN 0.714 nan 8.360 nan 0.000 0.450 420 C N 0.349 119.758 119.300 0.181 0.000 2.413 420 C HA -0.191 4.270 4.460 0.001 0.000 0.276 420 C C 2.500 177.694 174.990 0.341 0.000 1.236 420 C CA 0.902 60.087 59.018 0.280 0.000 1.735 420 C CB -1.233 26.683 27.740 0.294 0.000 2.031 420 C HN 0.502 nan 8.230 nan 0.000 0.474 421 F N 2.207 122.168 119.950 0.019 0.000 2.102 421 F HA 0.012 4.540 4.527 0.002 0.000 0.298 421 F C 2.330 178.051 175.800 -0.131 0.000 1.105 421 F CA 1.958 59.760 58.000 -0.329 0.000 1.239 421 F CB -0.804 37.920 39.000 -0.460 0.000 0.991 421 F HN 0.280 nan 8.300 nan 0.000 0.474 422 A N 0.105 122.924 122.820 -0.002 0.000 1.908 422 A HA -0.255 4.066 4.320 0.001 0.000 0.218 422 A C 2.192 179.872 177.584 0.160 0.000 1.181 422 A CA 1.986 54.079 52.037 0.093 0.000 0.627 422 A CB -0.971 18.230 19.000 0.335 0.000 0.818 422 A HN 0.513 nan 8.150 nan 0.000 0.445 423 M N -0.512 119.191 119.600 0.173 0.000 2.267 423 M HA -0.120 4.360 4.480 0.001 0.000 0.263 423 M C 0.953 177.092 176.300 -0.269 0.000 1.063 423 M CA 1.550 56.797 55.300 -0.088 0.000 1.090 423 M CB -0.440 32.008 32.600 -0.253 0.000 1.392 423 M HN 0.516 nan 8.290 nan 0.000 0.422 424 H N -1.006 118.134 119.070 0.116 0.000 2.528 424 H HA 0.409 4.965 4.556 0.001 0.000 0.282 424 H C -0.357 174.983 175.328 0.020 0.000 1.097 424 H CA -0.058 56.070 56.048 0.133 0.000 1.121 424 H CB -0.108 29.852 29.762 0.330 0.000 1.590 424 H HN 0.347 nan 8.280 nan 0.000 0.553 425 N N 0.848 119.517 118.700 -0.052 0.000 2.726 425 N HA 0.061 4.801 4.740 0.001 0.000 0.253 425 N C 0.146 175.628 175.510 -0.048 0.000 1.530 425 N CA 0.170 53.141 53.050 -0.132 0.000 0.772 425 N CB 1.512 39.701 38.487 -0.497 0.000 1.220 425 N HN 0.229 nan 8.380 nan 0.000 0.508 426 S N -1.938 113.791 115.700 0.050 0.000 2.612 426 S HA 0.055 4.526 4.470 0.001 0.000 0.278 426 S C 0.117 174.782 174.600 0.108 0.000 1.082 426 S CA -0.214 58.037 58.200 0.085 0.000 1.185 426 S CB 0.818 64.059 63.200 0.070 0.000 1.077 426 S HN 0.219 nan 8.310 nan 0.000 0.585 427 D N 1.063 121.528 120.400 0.108 0.000 2.329 427 D HA 0.471 5.112 4.640 0.001 0.000 0.246 427 D C 0.680 177.005 176.300 0.042 0.000 1.111 427 D CA -0.467 53.579 54.000 0.076 0.000 0.941 427 D CB 0.948 41.798 40.800 0.082 0.000 1.169 427 D HN 0.052 nan 8.370 nan 0.000 0.441 428 L N 1.721 122.903 121.223 -0.067 0.000 2.567 428 L HA 0.339 4.679 4.340 0.001 0.000 0.225 428 L C 1.420 177.928 176.870 -0.603 0.000 1.119 428 L CA 0.766 55.428 54.840 -0.297 0.000 0.871 428 L CB -0.917 41.079 42.059 -0.104 0.000 1.036 428 L HN 0.761 nan 8.230 nan 0.000 0.459 429 G N -0.266 108.390 108.800 -0.241 0.000 2.888 429 G HA2 -0.202 3.759 3.960 0.001 0.000 0.441 429 G HA3 -0.202 3.759 3.960 0.001 0.000 0.441 429 G C -2.517 172.357 174.900 -0.043 0.000 1.461 429 G CA -1.058 43.991 45.100 -0.084 0.000 0.897 429 G HN 0.042 nan 8.290 nan 0.000 0.547 430 P HA 0.263 nan 4.420 nan 0.000 0.264 430 P C -0.007 177.321 177.300 0.047 0.000 1.183 430 P CA 0.588 63.713 63.100 0.042 0.000 0.763 430 P CB 0.435 32.166 31.700 0.052 0.000 0.807 431 N N -0.305 118.437 118.700 0.071 0.000 2.710 431 N HA 0.371 5.112 4.740 0.001 0.000 0.257 431 N C 0.954 176.490 175.510 0.044 0.000 1.327 431 N CA -0.977 52.127 53.050 0.090 0.000 0.861 431 N CB 0.088 38.699 38.487 0.207 0.000 1.532 431 N HN 0.183 nan 8.380 nan 0.000 0.499 432 G N -0.982 107.789 108.800 -0.049 0.000 2.479 432 G HA2 -0.247 3.714 3.960 0.001 0.000 0.220 432 G HA3 -0.247 3.714 3.960 0.001 0.000 0.220 432 G C 0.432 175.238 174.900 -0.158 0.000 1.115 432 G CA 0.820 45.837 45.100 -0.139 0.000 0.757 432 G HN 0.700 nan 8.290 nan 0.000 0.560 433 H N -0.137 118.912 119.070 -0.035 0.000 2.553 433 H HA 0.179 4.736 4.556 0.001 0.000 0.265 433 H C 2.278 177.616 175.328 0.017 0.000 0.964 433 H CA 0.225 56.218 56.048 -0.091 0.000 1.156 433 H CB 0.101 29.679 29.762 -0.307 0.000 1.411 433 H HN 0.387 nan 8.280 nan 0.000 0.558 434 G N 0.664 109.563 108.800 0.165 0.000 2.166 434 G HA2 -0.324 3.637 3.960 0.001 0.000 0.260 434 G HA3 -0.324 3.637 3.960 0.001 0.000 0.260 434 G C -0.098 174.917 174.900 0.192 0.000 0.986 434 G CA 0.567 45.752 45.100 0.142 0.000 0.683 434 G HN 0.502 nan 8.290 nan 0.000 0.527 435 Y N 1.357 121.717 120.300 0.101 0.000 2.342 435 Y HA 0.760 5.310 4.550 0.001 0.000 0.334 435 Y C 0.385 176.332 175.900 0.078 0.000 1.067 435 Y CA -1.217 56.931 58.100 0.081 0.000 1.128 435 Y CB 0.884 39.400 38.460 0.094 0.000 1.200 435 Y HN 0.183 nan 8.280 nan 0.000 0.464 436 R N 4.606 124.865 120.500 -0.401 0.000 2.774 436 R HA 0.566 4.907 4.340 0.001 0.000 0.272 436 R C -1.203 174.868 176.300 -0.382 0.000 1.000 436 R CA -1.130 54.816 56.100 -0.257 0.000 0.906 436 R CB 2.105 32.345 30.300 -0.100 0.000 1.227 436 R HN 0.690 nan 8.270 nan 0.000 0.468 437 R N 0.808 121.212 120.500 -0.160 0.000 2.854 437 R HA 0.378 4.719 4.340 0.001 0.000 0.271 437 R C -0.235 176.091 176.300 0.043 0.000 0.994 437 R CA -0.927 55.135 56.100 -0.063 0.000 0.945 437 R CB 1.812 32.096 30.300 -0.025 0.000 1.194 437 R HN 0.605 nan 8.270 nan 0.000 0.476 438 E N 1.348 121.613 120.200 0.109 0.000 2.408 438 E HA 0.068 4.419 4.350 0.001 0.000 0.259 438 E C -0.445 176.189 176.600 0.056 0.000 1.110 438 E CA 0.344 56.777 56.400 0.054 0.000 0.929 438 E CB 0.786 30.487 29.700 0.002 0.000 0.971 438 E HN 0.364 nan 8.360 nan 0.000 0.438 439 E N 0.016 120.252 120.200 0.060 0.000 2.354 439 E HA 0.117 4.468 4.350 0.001 0.000 0.283 439 E C -1.178 175.477 176.600 0.092 0.000 0.938 439 E CA -0.340 56.105 56.400 0.075 0.000 0.777 439 E CB 1.164 30.926 29.700 0.102 0.000 1.222 439 E HN 0.429 nan 8.360 nan 0.000 0.423 440 S N 2.421 118.176 115.700 0.091 0.000 3.561 440 S HA -0.232 4.239 4.470 0.001 0.000 0.318 440 S C 0.859 175.516 174.600 0.094 0.000 1.181 440 S CA 1.214 59.519 58.200 0.176 0.000 0.916 440 S CB -1.108 62.276 63.200 0.308 0.000 0.966 440 S HN 0.630 nan 8.310 nan 0.000 0.550 441 M N 1.256 120.873 119.600 0.028 0.000 2.159 441 M HA -0.095 4.386 4.480 0.001 0.000 0.263 441 M C 1.735 178.024 176.300 -0.019 0.000 1.063 441 M CA 2.258 57.557 55.300 -0.002 0.000 1.110 441 M CB -0.717 31.862 32.600 -0.036 0.000 1.374 441 M HN 0.522 nan 8.290 nan 0.000 0.411 442 D N 0.975 121.354 120.400 -0.035 0.000 2.123 442 D HA -0.182 4.459 4.640 0.001 0.000 0.196 442 D C 1.470 177.776 176.300 0.009 0.000 0.992 442 D CA 1.539 55.520 54.000 -0.031 0.000 0.833 442 D CB -0.733 40.051 40.800 -0.026 0.000 0.954 442 D HN 0.604 nan 8.370 nan 0.000 0.455 443 I N -2.673 117.923 120.570 0.044 0.000 3.883 443 I HA 0.133 4.304 4.170 0.001 0.000 0.326 443 I C 1.802 177.929 176.117 0.018 0.000 1.283 443 I CA 0.009 61.322 61.300 0.020 0.000 1.161 443 I CB -0.169 37.832 38.000 0.002 0.000 1.012 443 I HN -0.145 nan 8.210 nan 0.000 0.421 444 Q N 1.691 121.511 119.800 0.033 0.000 2.061 444 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 444 Q C -0.269 175.756 176.000 0.041 0.000 0.984 444 Q CA 2.495 58.322 55.803 0.041 0.000 0.846 444 Q CB -1.114 27.647 28.738 0.039 0.000 0.902 444 Q HN 0.419 nan 8.270 nan 0.000 0.421 445 P HA -0.118 nan 4.420 nan 0.000 0.215 445 P C 0.875 178.209 177.300 0.056 0.000 1.157 445 P CA 2.017 65.141 63.100 0.039 0.000 0.868 445 P CB -0.275 31.439 31.700 0.024 0.000 0.788 446 A N -0.163 122.681 122.820 0.039 0.000 1.933 446 A HA -0.080 4.240 4.320 0.001 0.000 0.218 446 A C 2.304 179.936 177.584 0.079 0.000 1.175 446 A CA 2.018 54.084 52.037 0.048 0.000 0.628 446 A CB -1.588 17.409 19.000 -0.006 0.000 0.814 446 A HN 0.189 nan 8.150 nan 0.000 0.444 447 A N -0.186 122.666 122.820 0.053 0.000 1.845 447 A HA -0.189 4.132 4.320 0.001 0.000 0.215 447 A C 1.975 179.660 177.584 0.169 0.000 1.195 447 A CA 2.063 54.155 52.037 0.092 0.000 0.616 447 A CB -0.670 18.366 19.000 0.060 0.000 0.832 447 A HN 0.535 nan 8.150 nan 0.000 0.443 448 E N -0.411 119.864 120.200 0.124 0.000 2.118 448 E HA -0.175 4.176 4.350 0.001 0.000 0.195 448 E C 2.252 178.932 176.600 0.134 0.000 0.992 448 E CA 1.432 57.904 56.400 0.119 0.000 0.804 448 E CB -0.105 29.647 29.700 0.086 0.000 0.741 448 E HN 0.549 nan 8.360 nan 0.000 0.458 449 R N -1.024 119.564 120.500 0.146 0.000 2.115 449 R HA -0.074 4.266 4.340 0.001 0.000 0.226 449 R C 2.204 178.631 176.300 0.210 0.000 1.100 449 R CA 1.079 57.273 56.100 0.156 0.000 0.980 449 R CB -0.301 30.088 30.300 0.149 0.000 0.875 449 R HN 0.259 nan 8.270 nan 0.000 0.445 450 F N 1.126 121.137 119.950 0.102 0.000 2.113 450 F HA -0.159 4.369 4.527 0.001 0.000 0.297 450 F C 1.896 177.797 175.800 0.168 0.000 1.103 450 F CA 1.059 59.128 58.000 0.115 0.000 1.248 450 F CB -0.293 38.709 39.000 0.004 0.000 0.999 450 F HN -0.107 nan 8.300 nan 0.000 0.475 451 L N 1.135 122.417 121.223 0.099 0.000 2.083 451 L HA -0.144 4.196 4.340 0.001 0.000 0.209 451 L C 2.456 179.368 176.870 0.069 0.000 1.083 451 L CA 1.864 56.728 54.840 0.042 0.000 0.752 451 L CB -1.214 40.939 42.059 0.157 0.000 0.899 451 L HN 0.245 nan 8.230 nan 0.000 0.433 452 K N -0.849 119.603 120.400 0.088 0.000 2.009 452 K HA -0.189 4.132 4.320 0.001 0.000 0.210 452 K C 2.039 178.688 176.600 0.082 0.000 1.049 452 K CA 1.559 57.896 56.287 0.084 0.000 0.929 452 K CB -0.261 32.290 32.500 0.084 0.000 0.714 452 K HN 0.335 nan 8.250 nan 0.000 0.440 453 A N 0.609 123.485 122.820 0.095 0.000 1.892 453 A HA -0.210 4.111 4.320 0.001 0.000 0.218 453 A C 2.077 179.735 177.584 0.124 0.000 1.188 453 A CA 1.737 53.842 52.037 0.114 0.000 0.631 453 A CB -0.908 18.197 19.000 0.176 0.000 0.822 453 A HN 0.548 nan 8.150 nan 0.000 0.447 454 F N 1.413 121.313 119.950 -0.083 0.000 2.163 454 F HA -0.070 4.457 4.527 0.001 0.000 0.297 454 F C 2.070 177.934 175.800 0.107 0.000 1.094 454 F CA 1.802 59.772 58.000 -0.051 0.000 1.290 454 F CB -0.194 38.583 39.000 -0.373 0.000 1.017 454 F HN 0.320 nan 8.300 nan 0.000 0.483 455 K N 0.260 120.707 120.400 0.078 0.000 2.616 455 K HA -0.044 4.277 4.320 0.001 0.000 0.192 455 K C 0.570 177.193 176.600 0.039 0.000 1.031 455 K CA 1.477 57.795 56.287 0.051 0.000 1.004 455 K CB -0.448 32.098 32.500 0.076 0.000 0.810 455 K HN 0.373 nan 8.250 nan 0.000 0.497 456 E N 0.094 120.296 120.200 0.003 0.000 2.758 456 E HA 0.127 4.478 4.350 0.001 0.000 0.215 456 E C 0.065 176.621 176.600 -0.073 0.000 0.985 456 E CA -0.093 56.297 56.400 -0.017 0.000 1.102 456 E CB 0.970 30.674 29.700 0.006 0.000 1.042 456 E HN 0.458 nan 8.360 nan 0.000 0.480 457 G N 2.705 111.416 108.800 -0.148 0.000 2.361 457 G HA2 -0.346 3.614 3.960 0.001 0.000 0.294 457 G HA3 -0.346 3.614 3.960 0.001 0.000 0.294 457 G C 0.071 174.906 174.900 -0.107 0.000 1.004 457 G CA 0.890 45.862 45.100 -0.213 0.000 0.870 457 G HN 0.101 nan 8.290 nan 0.000 0.510 458 K N 0.015 120.391 120.400 -0.040 0.000 2.307 458 K HA 0.226 4.547 4.320 0.001 0.000 0.263 458 K C 0.586 177.203 176.600 0.028 0.000 0.973 458 K CA -0.729 55.553 56.287 -0.008 0.000 0.846 458 K CB 0.677 33.184 32.500 0.011 0.000 1.100 458 K HN 0.375 nan 8.250 nan 0.000 0.438 459 N N 2.156 120.847 118.700 -0.015 0.000 2.345 459 N HA -0.098 4.643 4.740 0.001 0.000 0.243 459 N C -0.727 174.789 175.510 0.011 0.000 1.246 459 N CA 0.321 53.329 53.050 -0.070 0.000 0.863 459 N CB 0.259 38.669 38.487 -0.128 0.000 1.096 459 N HN 0.330 nan 8.380 nan 0.000 0.446 460 Y N -0.662 119.729 120.300 0.151 0.000 2.335 460 Y HA 0.348 4.899 4.550 0.001 0.000 0.323 460 Y C 0.031 176.042 175.900 0.185 0.000 1.224 460 Y CA -1.672 56.551 58.100 0.204 0.000 1.241 460 Y CB 0.412 39.080 38.460 0.347 0.000 1.235 460 Y HN 0.344 nan 8.280 nan 0.000 0.492 461 D N 2.448 123.090 120.400 0.403 0.000 2.401 461 D HA -0.007 4.634 4.640 0.001 0.000 0.254 461 D C 0.967 177.500 176.300 0.389 0.000 1.192 461 D CA 0.041 54.209 54.000 0.281 0.000 0.885 461 D CB 1.048 41.975 40.800 0.211 0.000 1.147 461 D HN 0.714 nan 8.370 nan 0.000 0.478 462 K N 3.452 124.005 120.400 0.256 0.000 2.152 462 K HA -0.166 4.154 4.320 0.001 0.000 0.206 462 K C 1.414 178.167 176.600 0.254 0.000 1.048 462 K CA 1.103 57.549 56.287 0.265 0.000 0.933 462 K CB -0.116 32.450 32.500 0.110 0.000 0.721 462 K HN 0.518 nan 8.250 nan 0.000 0.447 463 A N 1.182 124.108 122.820 0.175 0.000 1.969 463 A HA -0.137 4.184 4.320 0.001 0.000 0.218 463 A C 1.652 179.306 177.584 0.116 0.000 1.169 463 A CA 1.615 53.724 52.037 0.121 0.000 0.635 463 A CB -0.269 18.774 19.000 0.071 0.000 0.810 463 A HN 0.293 nan 8.150 nan 0.000 0.445 464 D N -0.949 119.550 120.400 0.164 0.000 2.117 464 D HA -0.119 4.522 4.640 0.001 0.000 0.198 464 D C 1.569 177.869 176.300 0.001 0.000 0.982 464 D CA 1.016 55.083 54.000 0.111 0.000 0.828 464 D CB -0.461 40.464 40.800 0.209 0.000 0.967 464 D HN 0.461 nan 8.370 nan 0.000 0.464 465 F N 1.794 121.697 119.950 -0.078 0.000 2.091 465 F HA -0.212 4.315 4.527 0.001 0.000 0.299 465 F C 2.150 177.836 175.800 -0.189 0.000 1.103 465 F CA 1.654 59.500 58.000 -0.257 0.000 1.228 465 F CB 0.059 39.022 39.000 -0.062 0.000 0.984 465 F HN -0.063 nan 8.300 nan 0.000 0.477 466 E N -1.049 119.247 120.200 0.160 0.000 2.150 466 E HA -0.149 4.202 4.350 0.001 0.000 0.193 466 E C 2.080 178.651 176.600 -0.048 0.000 0.985 466 E CA 1.484 57.929 56.400 0.076 0.000 0.814 466 E CB -0.208 29.561 29.700 0.116 0.000 0.752 466 E HN 0.368 nan 8.360 nan 0.000 0.466 467 T N 1.288 115.793 114.554 -0.081 0.000 2.777 467 T HA -0.080 4.271 4.350 0.001 0.000 0.266 467 T C 1.889 176.464 174.700 -0.209 0.000 1.040 467 T CA 0.735 62.785 62.100 -0.082 0.000 1.141 467 T CB -0.078 68.747 68.868 -0.071 0.000 0.868 467 T HN 0.082 nan 8.240 nan 0.000 0.444 468 L N 0.629 121.591 121.223 -0.435 0.000 2.005 468 L HA -0.119 4.222 4.340 0.001 0.000 0.207 468 L C 2.876 179.124 176.870 -1.037 0.000 1.072 468 L CA 1.412 55.751 54.840 -0.834 0.000 0.744 468 L CB -0.699 40.806 42.059 -0.923 0.000 0.895 468 L HN 0.272 nan 8.230 nan 0.000 0.433 469 Q N -0.311 119.082 119.800 -0.678 0.000 2.047 469 Q HA -0.330 4.011 4.340 0.001 0.000 0.211 469 Q C 2.267 178.144 176.000 -0.205 0.000 1.005 469 Q CA 2.652 58.231 55.803 -0.374 0.000 0.866 469 Q CB -0.443 28.157 28.738 -0.229 0.000 0.938 469 Q HN 0.490 nan 8.270 nan 0.000 0.414 470 Y N 0.674 120.834 120.300 -0.233 0.000 2.207 470 Y HA -0.243 4.308 4.550 0.001 0.000 0.287 470 Y C 2.099 177.906 175.900 -0.156 0.000 1.156 470 Y CA 2.031 60.046 58.100 -0.140 0.000 1.182 470 Y CB -0.520 37.878 38.460 -0.103 0.000 0.979 470 Y HN 0.106 nan 8.280 nan 0.000 0.521 471 T N 1.142 115.454 114.554 -0.402 0.000 2.614 471 T HA -0.166 4.185 4.350 0.001 0.000 0.263 471 T C 1.494 175.990 174.700 -0.340 0.000 1.055 471 T CA 1.820 63.642 62.100 -0.462 0.000 1.162 471 T CB -0.729 67.855 68.868 -0.475 0.000 0.863 471 T HN 0.287 nan 8.240 nan 0.000 0.414 472 F N 1.696 121.462 119.950 -0.305 0.000 2.082 472 F HA -0.175 4.352 4.527 0.001 0.000 0.298 472 F C 2.484 178.129 175.800 -0.257 0.000 1.091 472 F CA 1.080 58.899 58.000 -0.301 0.000 1.230 472 F CB -1.271 37.566 39.000 -0.273 0.000 0.983 472 F HN 0.331 nan 8.300 nan 0.000 0.485 473 E N -0.130 120.034 120.200 -0.059 0.000 2.077 473 E HA -0.261 4.089 4.350 0.001 0.000 0.193 473 E C 2.459 178.984 176.600 -0.125 0.000 0.989 473 E CA 1.158 57.508 56.400 -0.083 0.000 0.800 473 E CB -0.012 29.644 29.700 -0.073 0.000 0.746 473 E HN 0.037 nan 8.360 nan 0.000 0.452 474 R N 0.444 120.790 120.500 -0.257 0.000 2.075 474 R HA -0.012 4.329 4.340 0.001 0.000 0.232 474 R C 2.244 178.528 176.300 -0.027 0.000 1.126 474 R CA 1.544 57.515 56.100 -0.215 0.000 0.963 474 R CB -0.524 29.497 30.300 -0.464 0.000 0.858 474 R HN 0.292 nan 8.270 nan 0.000 0.435 475 M N 0.252 119.832 119.600 -0.034 0.000 2.082 475 M HA -0.247 4.234 4.480 0.001 0.000 0.258 475 M C 2.069 178.410 176.300 0.067 0.000 1.069 475 M CA 2.009 57.322 55.300 0.023 0.000 1.102 475 M CB -0.304 32.064 32.600 -0.387 0.000 1.336 475 M HN 0.051 nan 8.290 nan 0.000 0.404 476 K N 0.093 120.477 120.400 -0.028 0.000 2.057 476 K HA -0.165 4.156 4.320 0.001 0.000 0.207 476 K C 1.793 178.419 176.600 0.044 0.000 1.049 476 K CA 1.474 57.761 56.287 0.000 0.000 0.931 476 K CB -0.215 32.267 32.500 -0.030 0.000 0.714 476 K HN 0.450 nan 8.250 nan 0.000 0.440 477 E N 0.279 120.498 120.200 0.032 0.000 2.153 477 E HA -0.123 4.228 4.350 0.001 0.000 0.194 477 E C 1.940 178.574 176.600 0.057 0.000 0.988 477 E CA 1.127 57.547 56.400 0.033 0.000 0.811 477 E CB 0.100 29.810 29.700 0.018 0.000 0.746 477 E HN 0.150 nan 8.360 nan 0.000 0.466 478 S N 0.354 116.124 115.700 0.116 0.000 2.425 478 S HA 0.014 4.485 4.470 0.001 0.000 0.225 478 S C 2.047 176.698 174.600 0.084 0.000 1.024 478 S CA 0.565 58.837 58.200 0.121 0.000 0.951 478 S CB 0.083 63.417 63.200 0.223 0.000 0.796 478 S HN 0.351 nan 8.310 nan 0.000 0.498 479 A N 2.431 125.357 122.820 0.175 0.000 1.877 479 A HA -0.169 4.152 4.320 0.001 0.000 0.216 479 A C 1.763 179.351 177.584 0.008 0.000 1.186 479 A CA 1.739 53.846 52.037 0.117 0.000 0.620 479 A CB -0.659 18.485 19.000 0.240 0.000 0.822 479 A HN 0.338 nan 8.150 nan 0.000 0.443 480 D N -0.334 120.084 120.400 0.029 0.000 2.183 480 D HA -0.030 4.611 4.640 0.001 0.000 0.203 480 D C 1.813 178.102 176.300 -0.019 0.000 0.969 480 D CA 0.911 54.916 54.000 0.008 0.000 0.842 480 D CB -0.183 40.627 40.800 0.017 0.000 0.957 480 D HN 0.536 nan 8.370 nan 0.000 0.484 481 I N 0.276 120.832 120.570 -0.023 0.000 2.584 481 I HA -0.116 4.055 4.170 0.001 0.000 0.255 481 I C 2.262 178.337 176.117 -0.071 0.000 1.145 481 I CA 0.263 61.541 61.300 -0.036 0.000 1.462 481 I CB 0.088 38.074 38.000 -0.023 0.000 1.102 481 I HN -0.074 nan 8.210 nan 0.000 0.433 482 L N 0.335 121.494 121.223 -0.107 0.000 2.017 482 L HA -0.215 4.126 4.340 0.001 0.000 0.208 482 L C 2.535 179.306 176.870 -0.165 0.000 1.073 482 L CA 1.409 56.145 54.840 -0.173 0.000 0.745 482 L CB -0.587 41.294 42.059 -0.297 0.000 0.894 482 L HN 0.223 nan 8.230 nan 0.000 0.432 483 L N -0.984 120.147 121.223 -0.153 0.000 2.089 483 L HA -0.262 4.078 4.340 0.001 0.000 0.213 483 L C 2.203 179.024 176.870 -0.082 0.000 1.079 483 L CA 1.197 55.961 54.840 -0.125 0.000 0.758 483 L CB -0.323 41.688 42.059 -0.080 0.000 0.891 483 L HN 0.388 nan 8.230 nan 0.000 0.433 484 M N -1.301 118.259 119.600 -0.066 0.000 2.383 484 M HA 0.103 4.584 4.480 0.001 0.000 0.247 484 M C 0.439 176.706 176.300 -0.054 0.000 1.117 484 M CA 0.072 55.344 55.300 -0.047 0.000 0.995 484 M CB -0.748 31.833 32.600 -0.032 0.000 1.480 484 M HN 0.131 nan 8.290 nan 0.000 0.485 485 N N 1.865 120.521 118.700 -0.073 0.000 2.475 485 N HA 0.037 4.778 4.740 0.001 0.000 0.267 485 N C 0.425 175.893 175.510 -0.069 0.000 1.169 485 N CA 0.705 53.711 53.050 -0.073 0.000 0.947 485 N CB 1.130 39.562 38.487 -0.092 0.000 1.061 485 N HN 0.215 nan 8.380 nan 0.000 0.466 486 T N -0.409 114.110 114.554 -0.058 0.000 3.132 486 T HA 0.109 4.459 4.350 0.001 0.000 0.274 486 T C 1.017 175.683 174.700 -0.056 0.000 1.011 486 T CA -0.358 61.709 62.100 -0.055 0.000 0.899 486 T CB 0.093 68.935 68.868 -0.043 0.000 1.089 486 T HN 0.642 nan 8.240 nan 0.000 0.543 487 E N 1.644 121.806 120.200 -0.062 0.000 2.230 487 E HA -0.009 4.342 4.350 0.001 0.000 0.192 487 E C 0.496 177.053 176.600 -0.072 0.000 0.987 487 E CA 0.338 56.701 56.400 -0.061 0.000 0.841 487 E CB 0.217 29.881 29.700 -0.060 0.000 0.783 487 E HN 0.365 nan 8.360 nan 0.000 0.481 488 N N 0.442 119.092 118.700 -0.084 0.000 2.707 488 N HA 0.082 4.823 4.740 0.001 0.000 0.249 488 N C -0.302 175.147 175.510 -0.101 0.000 1.299 488 N CA -0.212 52.779 53.050 -0.099 0.000 0.769 488 N CB 0.765 39.181 38.487 -0.118 0.000 1.236 488 N HN 0.005 nan 8.380 nan 0.000 0.524 489 K N 0.488 120.836 120.400 -0.086 0.000 2.097 489 K HA -0.049 4.272 4.320 0.001 0.000 0.206 489 K C -1.074 175.474 176.600 -0.087 0.000 1.049 489 K CA 1.193 57.432 56.287 -0.080 0.000 0.933 489 K CB -0.494 31.970 32.500 -0.061 0.000 0.717 489 K HN 0.338 nan 8.250 nan 0.000 0.442 490 P HA -0.140 nan 4.420 nan 0.000 0.219 490 P C 1.453 178.686 177.300 -0.111 0.000 1.150 490 P CA 0.714 63.757 63.100 -0.095 0.000 0.814 490 P CB 0.050 31.681 31.700 -0.115 0.000 0.787 491 L N -0.550 120.591 121.223 -0.135 0.000 1.994 491 L HA -0.161 4.180 4.340 0.001 0.000 0.208 491 L C 1.975 178.760 176.870 -0.141 0.000 1.071 491 L CA 2.068 56.818 54.840 -0.149 0.000 0.745 491 L CB -1.328 40.633 42.059 -0.163 0.000 0.892 491 L HN -0.167 nan 8.230 nan 0.000 0.431 492 I N -0.702 119.785 120.570 -0.137 0.000 2.163 492 I HA -0.248 3.923 4.170 0.001 0.000 0.243 492 I C 2.652 178.697 176.117 -0.120 0.000 1.085 492 I CA 1.332 62.543 61.300 -0.148 0.000 1.347 492 I CB -1.684 36.235 38.000 -0.136 0.000 1.044 492 I HN 0.128 nan 8.210 nan 0.000 0.408 493 V N 0.941 120.804 119.914 -0.085 0.000 2.324 493 V HA -0.284 3.836 4.120 0.001 0.000 0.250 493 V C 2.510 178.585 176.094 -0.033 0.000 1.060 493 V CA 1.883 64.154 62.300 -0.050 0.000 1.042 493 V CB -0.732 31.074 31.823 -0.029 0.000 0.650 493 V HN 0.443 nan 8.190 nan 0.000 0.450 494 E N 0.071 120.240 120.200 -0.051 0.000 2.072 494 E HA -0.177 4.174 4.350 0.001 0.000 0.191 494 E C 2.071 178.613 176.600 -0.097 0.000 0.985 494 E CA 1.751 58.114 56.400 -0.063 0.000 0.801 494 E CB -0.201 29.436 29.700 -0.105 0.000 0.750 494 E HN 0.837 nan 8.360 nan 0.000 0.452 495 I N -1.778 118.731 120.570 -0.103 0.000 3.578 495 I HA 0.025 4.196 4.170 0.001 0.000 0.295 495 I C 1.820 177.937 176.117 0.001 0.000 1.280 495 I CA 0.437 61.712 61.300 -0.043 0.000 1.347 495 I CB -0.003 37.912 38.000 -0.141 0.000 1.051 495 I HN -0.148 nan 8.210 nan 0.000 0.460 496 T N 2.762 117.265 114.554 -0.085 0.000 2.635 496 T HA -0.081 4.270 4.350 0.001 0.000 0.267 496 T C -0.306 174.261 174.700 -0.221 0.000 1.040 496 T CA 2.408 64.366 62.100 -0.236 0.000 1.156 496 T CB -1.155 67.588 68.868 -0.208 0.000 0.863 496 T HN 0.366 nan 8.240 nan 0.000 0.430 497 P HA -0.098 nan 4.420 nan 0.000 0.215 497 P C 1.318 178.512 177.300 -0.176 0.000 1.153 497 P CA 1.004 64.007 63.100 -0.160 0.000 0.853 497 P CB -0.153 31.317 31.700 -0.384 0.000 0.788 498 W N -0.656 120.639 121.300 -0.007 0.000 2.379 498 W HA -0.095 4.566 4.660 0.001 0.000 0.307 498 W C 2.072 178.697 176.519 0.178 0.000 1.200 498 W CA 0.792 58.204 57.345 0.113 0.000 1.297 498 W CB -1.201 28.372 29.460 0.190 0.000 1.140 498 W HN -0.213 nan 8.180 nan 0.000 0.507 499 V N 0.174 120.174 119.914 0.144 0.000 2.324 499 V HA -0.334 3.787 4.120 0.001 0.000 0.250 499 V C 2.223 178.361 176.094 0.074 0.000 1.060 499 V CA 1.980 64.222 62.300 -0.096 0.000 1.042 499 V CB -1.156 30.399 31.823 -0.446 0.000 0.650 499 V HN 0.173 nan 8.190 nan 0.000 0.450 500 H N -0.520 118.590 119.070 0.067 0.000 2.389 500 H HA -0.142 4.415 4.556 0.001 0.000 0.299 500 H C 2.348 177.713 175.328 0.060 0.000 1.081 500 H CA 1.969 58.041 56.048 0.040 0.000 1.345 500 H CB -0.153 29.603 29.762 -0.009 0.000 1.393 500 H HN 0.435 nan 8.280 nan 0.000 0.520 501 Q N 0.148 120.062 119.800 0.189 0.000 2.172 501 Q HA -0.071 4.270 4.340 0.001 0.000 0.200 501 Q C 2.063 178.167 176.000 0.175 0.000 0.964 501 Q CA 0.725 56.591 55.803 0.105 0.000 0.855 501 Q CB -0.398 28.341 28.738 0.002 0.000 0.918 501 Q HN 0.355 nan 8.270 nan 0.000 0.444 502 F N 0.456 120.485 119.950 0.131 0.000 2.259 502 F HA -0.013 4.514 4.527 0.001 0.000 0.298 502 F C 1.952 177.794 175.800 0.070 0.000 1.088 502 F CA 1.359 59.452 58.000 0.155 0.000 1.358 502 F CB 0.053 39.283 39.000 0.383 0.000 1.040 502 F HN 0.003 nan 8.300 nan 0.000 0.505 503 K N 0.312 120.812 120.400 0.166 0.000 2.116 503 K HA -0.057 4.264 4.320 0.001 0.000 0.203 503 K C 2.076 178.616 176.600 -0.099 0.000 1.052 503 K CA 1.083 57.373 56.287 0.005 0.000 0.952 503 K CB -0.170 32.383 32.500 0.089 0.000 0.729 503 K HN 0.357 nan 8.250 nan 0.000 0.446 504 L N 0.680 121.866 121.223 -0.062 0.000 2.083 504 L HA -0.159 4.182 4.340 0.001 0.000 0.209 504 L C 2.319 179.057 176.870 -0.219 0.000 1.083 504 L CA 1.341 56.104 54.840 -0.129 0.000 0.752 504 L CB -0.561 41.445 42.059 -0.087 0.000 0.899 504 L HN 0.229 nan 8.230 nan 0.000 0.433 505 T N 0.001 114.428 114.554 -0.213 0.000 2.652 505 T HA -0.243 4.108 4.350 0.001 0.000 0.267 505 T C 2.013 176.422 174.700 -0.485 0.000 1.039 505 T CA 1.541 63.458 62.100 -0.305 0.000 1.153 505 T CB -0.307 68.421 68.868 -0.233 0.000 0.863 505 T HN 0.470 nan 8.240 nan 0.000 0.428 506 A N 1.468 123.996 122.820 -0.486 0.000 1.902 506 A HA -0.143 4.178 4.320 0.001 0.000 0.217 506 A C 2.217 179.483 177.584 -0.530 0.000 1.181 506 A CA 1.698 53.411 52.037 -0.540 0.000 0.623 506 A CB -0.558 18.223 19.000 -0.364 0.000 0.818 506 A HN 0.599 nan 8.150 nan 0.000 0.443 507 E N -0.939 119.037 120.200 -0.373 0.000 2.051 507 E HA -0.217 4.134 4.350 0.001 0.000 0.192 507 E C 2.070 178.405 176.600 -0.442 0.000 0.991 507 E CA 1.367 57.562 56.400 -0.342 0.000 0.799 507 E CB -0.290 29.249 29.700 -0.267 0.000 0.748 507 E HN 0.712 nan 8.360 nan 0.000 0.449 508 M N 0.658 119.983 119.600 -0.458 0.000 2.080 508 M HA -0.158 4.323 4.480 0.001 0.000 0.260 508 M C 2.252 178.242 176.300 -0.517 0.000 1.068 508 M CA 2.141 57.166 55.300 -0.460 0.000 1.109 508 M CB -0.369 31.988 32.600 -0.404 0.000 1.342 508 M HN 0.188 nan 8.290 nan 0.000 0.405 509 G N -0.050 108.266 108.800 -0.807 0.000 2.476 509 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 509 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 509 G C 1.223 175.751 174.900 -0.618 0.000 1.164 509 G CA 1.213 45.621 45.100 -1.154 0.000 0.768 509 G HN 0.631 nan 8.290 nan 0.000 0.560 510 E N 0.204 120.120 120.200 -0.473 0.000 2.058 510 E HA -0.132 4.219 4.350 0.001 0.000 0.194 510 E C 2.509 179.042 176.600 -0.112 0.000 0.997 510 E CA 1.094 57.410 56.400 -0.140 0.000 0.801 510 E CB -0.044 29.593 29.700 -0.104 0.000 0.746 510 E HN 0.345 nan 8.360 nan 0.000 0.450 511 E N 0.373 120.457 120.200 -0.193 0.000 2.152 511 E HA -0.097 4.254 4.350 0.001 0.000 0.192 511 E C 2.312 178.853 176.600 -0.098 0.000 0.983 511 E CA 0.524 56.831 56.400 -0.154 0.000 0.818 511 E CB -0.121 29.412 29.700 -0.278 0.000 0.758 511 E HN 0.131 nan 8.360 nan 0.000 0.467 512 V N 1.421 121.270 119.914 -0.108 0.000 2.427 512 V HA -0.191 3.930 4.120 0.001 0.000 0.248 512 V C 2.392 178.509 176.094 0.039 0.000 1.051 512 V CA 1.182 63.478 62.300 -0.007 0.000 1.048 512 V CB -0.469 31.345 31.823 -0.013 0.000 0.666 512 V HN 0.191 nan 8.190 nan 0.000 0.456 513 L N -0.746 120.476 121.223 -0.003 0.000 2.376 513 L HA -0.072 4.269 4.340 0.001 0.000 0.219 513 L C 2.375 179.402 176.870 0.262 0.000 1.133 513 L CA 1.162 56.023 54.840 0.034 0.000 0.816 513 L CB -0.444 41.443 42.059 -0.286 0.000 0.933 513 L HN 0.261 nan 8.230 nan 0.000 0.449 514 K N -0.321 120.200 120.400 0.202 0.000 2.243 514 K HA 0.027 4.348 4.320 0.001 0.000 0.201 514 K C 2.129 178.934 176.600 0.342 0.000 1.051 514 K CA 0.785 57.261 56.287 0.315 0.000 0.970 514 K CB 0.097 32.751 32.500 0.256 0.000 0.755 514 K HN 0.222 nan 8.250 nan 0.000 0.465 515 M N 0.044 119.755 119.600 0.185 0.000 2.132 515 M HA -0.155 4.326 4.480 0.001 0.000 0.263 515 M C 2.026 178.636 176.300 0.517 0.000 1.065 515 M CA 1.209 56.621 55.300 0.187 0.000 1.122 515 M CB -0.113 32.415 32.600 -0.120 0.000 1.365 515 M HN -0.080 nan 8.290 nan 0.000 0.411 516 V N 0.702 120.877 119.914 0.435 0.000 2.287 516 V HA -0.267 3.854 4.120 0.001 0.000 0.248 516 V C 2.184 178.594 176.094 0.527 0.000 1.053 516 V CA 1.929 64.529 62.300 0.499 0.000 1.027 516 V CB -0.746 31.317 31.823 0.399 0.000 0.646 516 V HN 0.480 nan 8.190 nan 0.000 0.447 517 E N 0.216 120.700 120.200 0.474 0.000 2.017 517 E HA -0.049 4.301 4.350 0.001 0.000 0.193 517 E C 1.541 178.355 176.600 0.357 0.000 0.997 517 E CA 0.857 57.469 56.400 0.354 0.000 0.804 517 E CB -0.370 29.510 29.700 0.299 0.000 0.757 517 E HN 0.663 nan 8.360 nan 0.000 0.448 518 G N 2.664 111.739 108.800 0.458 0.000 2.367 518 G HA2 -0.321 3.640 3.960 0.001 0.000 0.295 518 G HA3 -0.321 3.640 3.960 0.001 0.000 0.295 518 G C 0.620 175.740 174.900 0.367 0.000 1.019 518 G CA 0.730 46.152 45.100 0.537 0.000 1.224 518 G HN 0.233 nan 8.290 nan 0.000 0.510 519 R N 0.362 120.999 120.500 0.228 0.000 2.103 519 R HA -0.181 4.160 4.340 0.001 0.000 0.242 519 R C 1.041 177.440 176.300 0.165 0.000 1.142 519 R CA 1.885 58.037 56.100 0.087 0.000 0.960 519 R CB -0.468 29.752 30.300 -0.135 0.000 0.858 519 R HN 0.930 nan 8.270 nan 0.000 0.439 520 N N -1.699 117.161 118.700 0.267 0.000 3.106 520 N HA 0.002 4.743 4.740 0.001 0.000 0.253 520 N C -0.081 175.610 175.510 0.301 0.000 1.506 520 N CA -0.678 52.520 53.050 0.247 0.000 0.876 520 N CB 0.951 39.540 38.487 0.171 0.000 1.452 520 N HN -0.060 nan 8.380 nan 0.000 0.542 521 E N -0.383 119.927 120.200 0.183 0.000 2.072 521 E HA -0.202 4.149 4.350 0.001 0.000 0.191 521 E C 1.284 178.002 176.600 0.197 0.000 0.985 521 E CA 1.873 58.324 56.400 0.085 0.000 0.801 521 E CB -0.056 29.528 29.700 -0.195 0.000 0.750 521 E HN 0.594 nan 8.360 nan 0.000 0.452 522 S N -0.704 115.096 115.700 0.167 0.000 2.414 522 S HA -0.174 4.297 4.470 0.001 0.000 0.227 522 S C 2.032 176.738 174.600 0.177 0.000 1.022 522 S CA 0.678 58.964 58.200 0.142 0.000 0.958 522 S CB -0.545 62.719 63.200 0.107 0.000 0.797 522 S HN 0.508 nan 8.310 nan 0.000 0.493 523 Y N 1.294 121.669 120.300 0.126 0.000 2.181 523 Y HA -0.070 4.481 4.550 0.001 0.000 0.288 523 Y C 1.925 177.915 175.900 0.150 0.000 1.146 523 Y CA 1.654 59.829 58.100 0.126 0.000 1.164 523 Y CB -0.724 37.819 38.460 0.140 0.000 0.982 523 Y HN 0.390 nan 8.280 nan 0.000 0.515 524 F N -0.119 119.900 119.950 0.114 0.000 2.134 524 F HA -0.232 4.295 4.527 0.001 0.000 0.299 524 F C 1.903 177.613 175.800 -0.151 0.000 1.097 524 F CA 1.723 59.726 58.000 0.005 0.000 1.264 524 F CB -0.401 38.670 39.000 0.118 0.000 1.001 524 F HN 0.014 nan 8.300 nan 0.000 0.479 525 L N -0.259 120.975 121.223 0.018 0.000 2.093 525 L HA -0.165 4.176 4.340 0.001 0.000 0.208 525 L C 2.621 179.446 176.870 -0.074 0.000 1.085 525 L CA 1.083 55.874 54.840 -0.081 0.000 0.755 525 L CB -0.624 41.411 42.059 -0.039 0.000 0.904 525 L HN 0.039 nan 8.230 nan 0.000 0.435 526 R N 0.112 120.547 120.500 -0.108 0.000 2.094 526 R HA -0.178 4.163 4.340 0.001 0.000 0.239 526 R C 2.389 178.577 176.300 -0.185 0.000 1.137 526 R CA 1.426 57.440 56.100 -0.143 0.000 0.943 526 R CB -0.206 29.987 30.300 -0.178 0.000 0.850 526 R HN 0.221 nan 8.270 nan 0.000 0.433 527 K N -0.043 120.154 120.400 -0.339 0.000 2.063 527 K HA -0.215 4.106 4.320 0.001 0.000 0.208 527 K C 2.003 178.481 176.600 -0.203 0.000 1.048 527 K CA 1.477 57.581 56.287 -0.306 0.000 0.928 527 K CB -0.686 31.551 32.500 -0.437 0.000 0.713 527 K HN 0.348 nan 8.250 nan 0.000 0.442 528 Y N 2.733 122.781 120.300 -0.419 0.000 2.181 528 Y HA -0.207 4.344 4.550 0.001 0.000 0.288 528 Y C 1.833 177.680 175.900 -0.089 0.000 1.146 528 Y CA 1.566 59.511 58.100 -0.258 0.000 1.164 528 Y CB -0.169 38.072 38.460 -0.364 0.000 0.982 528 Y HN 0.098 nan 8.280 nan 0.000 0.515 529 N N -0.560 118.167 118.700 0.046 0.000 2.188 529 N HA -0.218 4.523 4.740 0.001 0.000 0.184 529 N C 1.843 177.308 175.510 -0.075 0.000 1.018 529 N CA 1.752 54.781 53.050 -0.035 0.000 0.858 529 N CB -0.839 37.662 38.487 0.023 0.000 0.989 529 N HN 0.637 nan 8.380 nan 0.000 0.426 530 H N 0.363 119.326 119.070 -0.180 0.000 2.353 530 H HA -0.035 4.522 4.556 0.001 0.000 0.300 530 H C 1.809 176.996 175.328 -0.235 0.000 1.090 530 H CA 1.012 56.946 56.048 -0.190 0.000 1.327 530 H CB 0.357 30.012 29.762 -0.177 0.000 1.383 530 H HN -0.091 nan 8.280 nan 0.000 0.508 531 V N 1.419 121.200 119.914 -0.221 0.000 2.287 531 V HA -0.276 3.845 4.120 0.001 0.000 0.248 531 V C 2.389 178.235 176.094 -0.413 0.000 1.053 531 V CA 1.767 63.846 62.300 -0.368 0.000 1.027 531 V CB -0.359 31.259 31.823 -0.342 0.000 0.646 531 V HN 0.399 nan 8.190 nan 0.000 0.447 532 K N 0.562 120.710 120.400 -0.421 0.000 2.103 532 K HA -0.130 4.191 4.320 0.001 0.000 0.207 532 K C 2.228 178.646 176.600 -0.303 0.000 1.048 532 K CA 1.729 57.783 56.287 -0.387 0.000 0.930 532 K CB -0.978 31.307 32.500 -0.359 0.000 0.716 532 K HN 0.515 nan 8.250 nan 0.000 0.444 533 A N 1.022 123.702 122.820 -0.233 0.000 1.929 533 A HA -0.053 4.268 4.320 0.001 0.000 0.216 533 A C 2.346 179.806 177.584 -0.207 0.000 1.176 533 A CA 0.976 52.893 52.037 -0.200 0.000 0.628 533 A CB -0.503 18.435 19.000 -0.102 0.000 0.816 533 A HN 0.180 nan 8.150 nan 0.000 0.444 534 L N -0.782 120.312 121.223 -0.216 0.000 2.093 534 L HA -0.218 4.122 4.340 0.001 0.000 0.208 534 L C 2.844 179.584 176.870 -0.217 0.000 1.085 534 L CA 1.274 55.978 54.840 -0.227 0.000 0.755 534 L CB -0.574 41.301 42.059 -0.306 0.000 0.904 534 L HN 0.459 nan 8.230 nan 0.000 0.435 535 Q N -0.177 119.468 119.800 -0.259 0.000 2.030 535 Q HA -0.297 4.044 4.340 0.001 0.000 0.204 535 Q C 2.266 178.194 176.000 -0.120 0.000 0.986 535 Q CA 1.811 57.496 55.803 -0.197 0.000 0.843 535 Q CB -0.225 28.365 28.738 -0.247 0.000 0.904 535 Q HN 0.563 nan 8.270 nan 0.000 0.420 536 Q N 0.238 119.864 119.800 -0.290 0.000 2.181 536 Q HA -0.194 4.147 4.340 0.001 0.000 0.205 536 Q C 2.011 177.942 176.000 -0.115 0.000 0.980 536 Q CA 1.191 56.730 55.803 -0.441 0.000 0.862 536 Q CB 0.034 28.294 28.738 -0.797 0.000 0.905 536 Q HN 0.438 nan 8.270 nan 0.000 0.429 537 Q N -0.378 119.350 119.800 -0.119 0.000 2.230 537 Q HA -0.042 4.299 4.340 0.001 0.000 0.202 537 Q C 1.986 178.009 176.000 0.037 0.000 0.963 537 Q CA 0.782 56.555 55.803 -0.050 0.000 0.866 537 Q CB 0.031 28.706 28.738 -0.105 0.000 0.931 537 Q HN 0.493 nan 8.270 nan 0.000 0.452 538 M N -0.328 119.280 119.600 0.015 0.000 2.132 538 M HA -0.125 4.356 4.480 0.001 0.000 0.263 538 M C 1.992 178.343 176.300 0.084 0.000 1.065 538 M CA 1.298 56.612 55.300 0.023 0.000 1.122 538 M CB -0.325 32.265 32.600 -0.016 0.000 1.365 538 M HN 0.174 nan 8.290 nan 0.000 0.411 539 F N 0.363 120.317 119.950 0.007 0.000 2.134 539 F HA -0.287 4.241 4.527 0.001 0.000 0.299 539 F C 2.365 178.191 175.800 0.045 0.000 1.097 539 F CA 1.626 59.655 58.000 0.050 0.000 1.264 539 F CB -0.533 38.578 39.000 0.185 0.000 1.001 539 F HN 0.070 nan 8.300 nan 0.000 0.479 540 Y N 0.830 121.150 120.300 0.033 0.000 2.181 540 Y HA -0.205 4.346 4.550 0.002 0.000 0.288 540 Y C 2.099 177.901 175.900 -0.164 0.000 1.146 540 Y CA 2.067 60.118 58.100 -0.083 0.000 1.164 540 Y CB -0.503 37.945 38.460 -0.021 0.000 0.982 540 Y HN 0.136 nan 8.280 nan 0.000 0.515 541 I N 0.043 120.595 120.570 -0.030 0.000 2.226 541 I HA -0.271 3.900 4.170 0.001 0.000 0.245 541 I C 2.000 177.948 176.117 -0.282 0.000 1.100 541 I CA 1.872 63.079 61.300 -0.155 0.000 1.374 541 I CB -0.459 37.503 38.000 -0.064 0.000 1.057 541 I HN 0.200 nan 8.210 nan 0.000 0.413 542 D N 0.210 120.450 120.400 -0.266 0.000 2.264 542 D HA -0.162 4.478 4.640 0.001 0.000 0.208 542 D C 2.077 178.154 176.300 -0.372 0.000 0.966 542 D CA 1.033 54.857 54.000 -0.293 0.000 0.864 542 D CB 0.188 40.854 40.800 -0.223 0.000 0.933 542 D HN 0.234 nan 8.370 nan 0.000 0.499 543 Q N -1.308 118.192 119.800 -0.501 0.000 2.384 543 Q HA 0.100 4.441 4.340 0.001 0.000 0.207 543 Q C 1.563 177.310 176.000 -0.421 0.000 0.904 543 Q CA 0.953 56.456 55.803 -0.500 0.000 0.933 543 Q CB 0.859 29.200 28.738 -0.661 0.000 1.077 543 Q HN 0.463 nan 8.270 nan 0.000 0.522 544 T N -4.212 110.055 114.554 -0.478 0.000 2.959 544 T HA 0.270 4.620 4.350 0.001 0.000 0.254 544 T C 0.926 175.451 174.700 -0.291 0.000 1.003 544 T CA -0.247 61.595 62.100 -0.430 0.000 0.950 544 T CB 0.487 68.938 68.868 -0.696 0.000 1.090 544 T HN -0.160 nan 8.240 nan 0.000 0.503 545 S N 2.592 118.121 115.700 -0.285 0.000 2.565 545 S HA 0.533 5.003 4.470 0.001 0.000 0.290 545 S C 0.191 174.664 174.600 -0.211 0.000 1.150 545 S CA -0.456 57.606 58.200 -0.229 0.000 1.058 545 S CB 0.971 64.003 63.200 -0.280 0.000 1.032 545 S HN 0.555 nan 8.310 nan 0.000 0.510 546 N N 1.901 120.522 118.700 -0.132 0.000 2.714 546 N HA -0.163 4.577 4.740 0.001 0.000 0.252 546 N C -0.699 174.785 175.510 -0.044 0.000 1.014 546 N CA 0.362 53.383 53.050 -0.049 0.000 0.735 546 N CB -0.704 37.733 38.487 -0.083 0.000 0.924 546 N HN 0.447 nan 8.380 nan 0.000 0.540 547 Q N 0.634 120.396 119.800 -0.062 0.000 3.004 547 Q HA 0.096 4.437 4.340 0.001 0.000 0.256 547 Q C 0.292 176.267 176.000 -0.041 0.000 1.387 547 Q CA -0.018 55.743 55.803 -0.070 0.000 0.962 547 Q CB -0.829 27.852 28.738 -0.096 0.000 1.676 547 Q HN 0.760 nan 8.270 nan 0.000 0.568 548 N N -0.760 117.935 118.700 -0.009 0.000 2.413 548 N HA 0.286 5.027 4.740 0.001 0.000 0.266 548 N C -2.072 173.364 175.510 -0.123 0.000 1.238 548 N CA -1.372 51.671 53.050 -0.012 0.000 0.972 548 N CB 0.433 38.979 38.487 0.098 0.000 1.210 548 N HN -0.152 nan 8.380 nan 0.000 0.547 549 P HA 0.026 nan 4.420 nan 0.000 0.237 549 P C -0.284 176.610 177.300 -0.677 0.000 1.178 549 P CA 1.043 63.785 63.100 -0.598 0.000 0.766 549 P CB -0.056 31.055 31.700 -0.982 0.000 0.876 550 Y N -1.199 119.112 120.300 0.017 0.000 2.678 550 Y HA 0.293 4.844 4.550 0.001 0.000 0.274 550 Y C 0.673 176.589 175.900 0.026 0.000 1.114 550 Y CA 0.025 58.136 58.100 0.018 0.000 1.274 550 Y CB -0.292 38.181 38.460 0.022 0.000 1.438 550 Y HN -0.240 nan 8.280 nan 0.000 0.493 551 Q N 1.452 121.368 119.800 0.194 0.000 3.244 551 Q HA 0.309 4.650 4.340 0.001 0.000 0.249 551 Q C -2.885 173.173 176.000 0.098 0.000 0.951 551 Q CA -2.144 53.738 55.803 0.131 0.000 0.740 551 Q CB 1.352 30.183 28.738 0.154 0.000 1.334 551 Q HN 0.051 nan 8.270 nan 0.000 0.448 552 P HA 0.322 nan 4.420 nan 0.000 0.267 552 P C 0.422 177.703 177.300 -0.032 0.000 1.200 552 P CA 0.834 63.926 63.100 -0.013 0.000 0.772 552 P CB 1.172 32.834 31.700 -0.063 0.000 0.855 553 G N 0.282 109.033 108.800 -0.082 0.000 2.409 553 G HA2 0.083 4.044 3.960 0.001 0.000 0.421 553 G HA3 0.083 4.044 3.960 0.001 0.000 0.421 553 G C -1.661 173.090 174.900 -0.248 0.000 1.259 553 G CA -0.421 44.582 45.100 -0.162 0.000 1.011 553 G HN 0.492 nan 8.290 nan 0.000 0.497 554 V N 1.368 121.093 119.914 -0.315 0.000 2.498 554 V HA 0.517 4.638 4.120 0.001 0.000 0.283 554 V C -0.613 175.328 176.094 -0.254 0.000 1.015 554 V CA -1.152 60.826 62.300 -0.537 0.000 0.867 554 V CB 1.389 32.748 31.823 -0.774 0.000 1.025 554 V HN 0.728 nan 8.190 nan 0.000 0.441 555 K N 1.778 122.113 120.400 -0.108 0.000 2.123 555 K HA 0.870 5.191 4.320 0.001 0.000 0.259 555 K C -0.206 176.400 176.600 0.008 0.000 0.960 555 K CA -0.512 55.696 56.287 -0.133 0.000 0.872 555 K CB 2.321 34.597 32.500 -0.372 0.000 1.079 555 K HN 0.640 nan 8.250 nan 0.000 0.440 556 T N -0.905 113.675 114.554 0.044 0.000 2.942 556 T HA 0.445 4.796 4.350 0.001 0.000 0.327 556 T C -1.149 173.641 174.700 0.150 0.000 1.360 556 T CA 0.200 62.400 62.100 0.168 0.000 1.055 556 T CB 0.746 69.811 68.868 0.328 0.000 1.261 556 T HN 0.685 nan 8.240 nan 0.000 0.485 557 A N 1.985 124.923 122.820 0.197 0.000 2.704 557 A HA -0.177 4.144 4.320 0.001 0.000 0.299 557 A C 1.405 179.066 177.584 0.128 0.000 1.507 557 A CA 2.165 54.314 52.037 0.186 0.000 0.776 557 A CB -2.631 16.454 19.000 0.142 0.000 1.027 557 A HN 1.698 nan 8.150 nan 0.000 0.475 558 T N -2.859 111.779 114.554 0.139 0.000 3.023 558 T HA -0.021 4.329 4.350 0.001 0.000 0.266 558 T C 1.628 176.408 174.700 0.134 0.000 1.093 558 T CA 1.318 63.500 62.100 0.137 0.000 1.129 558 T CB -0.071 68.922 68.868 0.208 0.000 0.899 558 T HN 0.713 nan 8.240 nan 0.000 0.491 559 R N 0.182 120.765 120.500 0.139 0.000 2.066 559 R HA 0.138 4.479 4.340 0.001 0.000 0.224 559 R C 1.803 178.165 176.300 0.102 0.000 1.122 559 R CA 1.077 57.247 56.100 0.117 0.000 0.974 559 R CB 0.072 30.438 30.300 0.110 0.000 0.871 559 R HN 0.354 nan 8.270 nan 0.000 0.435 560 V N -0.466 119.514 119.914 0.110 0.000 2.996 560 V HA 0.057 4.178 4.120 0.001 0.000 0.235 560 V C 1.923 178.072 176.094 0.092 0.000 1.205 560 V CA 0.395 62.754 62.300 0.099 0.000 1.225 560 V CB 0.220 32.105 31.823 0.104 0.000 0.995 560 V HN 0.192 nan 8.190 nan 0.000 0.484 561 I N 0.277 120.902 120.570 0.091 0.000 2.333 561 I HA -0.104 4.067 4.170 0.001 0.000 0.246 561 I C 2.482 178.629 176.117 0.049 0.000 1.106 561 I CA 1.179 62.526 61.300 0.079 0.000 1.411 561 I CB -0.123 37.908 38.000 0.051 0.000 1.082 561 I HN 0.219 nan 8.210 nan 0.000 0.420 562 K N 1.576 121.994 120.400 0.029 0.000 2.026 562 K HA -0.111 4.210 4.320 0.001 0.000 0.208 562 K C -0.832 175.781 176.600 0.021 0.000 1.048 562 K CA 1.717 58.002 56.287 -0.004 0.000 0.929 562 K CB -1.324 31.179 32.500 0.005 0.000 0.713 562 K HN 0.124 nan 8.250 nan 0.000 0.439 563 P HA -0.081 nan 4.420 nan 0.000 0.221 563 P C 1.208 178.557 177.300 0.082 0.000 1.150 563 P CA 0.696 63.835 63.100 0.065 0.000 0.800 563 P CB 0.012 31.757 31.700 0.075 0.000 0.787 564 L N -0.543 120.734 121.223 0.090 0.000 1.994 564 L HA -0.127 4.214 4.340 0.001 0.000 0.208 564 L C 2.198 179.138 176.870 0.116 0.000 1.071 564 L CA 1.838 56.751 54.840 0.121 0.000 0.745 564 L CB -1.218 40.917 42.059 0.126 0.000 0.892 564 L HN -0.184 nan 8.230 nan 0.000 0.431 565 I N 0.056 120.663 120.570 0.063 0.000 2.127 565 I HA -0.326 3.844 4.170 0.001 0.000 0.241 565 I C 2.153 178.301 176.117 0.052 0.000 1.075 565 I CA 1.630 62.935 61.300 0.008 0.000 1.334 565 I CB -0.736 37.185 38.000 -0.130 0.000 1.040 565 I HN 0.315 nan 8.210 nan 0.000 0.405 566 D N 0.673 121.094 120.400 0.035 0.000 2.116 566 D HA -0.172 4.469 4.640 0.001 0.000 0.193 566 D C 2.371 178.765 176.300 0.158 0.000 0.998 566 D CA 1.323 55.364 54.000 0.070 0.000 0.836 566 D CB -0.271 40.553 40.800 0.040 0.000 0.951 566 D HN 0.279 nan 8.370 nan 0.000 0.449 567 R N -0.145 120.437 120.500 0.136 0.000 2.092 567 R HA -0.026 4.315 4.340 0.001 0.000 0.231 567 R C 2.286 178.690 176.300 0.173 0.000 1.119 567 R CA 1.282 57.469 56.100 0.144 0.000 0.970 567 R CB -0.364 30.012 30.300 0.128 0.000 0.864 567 R HN 0.164 nan 8.270 nan 0.000 0.440 568 T N 1.118 115.784 114.554 0.187 0.000 2.737 568 T HA -0.155 4.196 4.350 0.001 0.000 0.265 568 T C 1.391 176.213 174.700 0.203 0.000 1.038 568 T CA 1.274 63.481 62.100 0.179 0.000 1.144 568 T CB -0.385 68.587 68.868 0.173 0.000 0.866 568 T HN 0.151 nan 8.240 nan 0.000 0.434 569 F N 2.425 122.414 119.950 0.066 0.000 2.043 569 F HA -0.222 4.305 4.527 0.001 0.000 0.297 569 F C 2.530 178.391 175.800 0.103 0.000 1.118 569 F CA 1.589 59.630 58.000 0.067 0.000 1.202 569 F CB -0.802 38.197 39.000 -0.001 0.000 0.965 569 F HN 0.156 nan 8.300 nan 0.000 0.482 570 A N -0.915 122.041 122.820 0.226 0.000 1.940 570 A HA -0.205 4.116 4.320 0.001 0.000 0.219 570 A C 2.158 179.711 177.584 -0.051 0.000 1.176 570 A CA 2.374 54.464 52.037 0.088 0.000 0.631 570 A CB -1.414 17.670 19.000 0.139 0.000 0.814 570 A HN 0.517 nan 8.150 nan 0.000 0.446 571 T N -0.154 114.384 114.554 -0.027 0.000 2.770 571 T HA -0.093 4.258 4.350 0.001 0.000 0.263 571 T C 2.002 176.458 174.700 -0.406 0.000 1.039 571 T CA 1.906 63.868 62.100 -0.230 0.000 1.142 571 T CB -0.661 68.171 68.868 -0.059 0.000 0.868 571 T HN 0.515 nan 8.240 nan 0.000 0.435 572 V N 0.434 120.377 119.914 0.050 0.000 2.515 572 V HA -0.067 4.054 4.120 0.001 0.000 0.250 572 V C 2.484 178.708 176.094 0.216 0.000 1.058 572 V CA 1.013 63.473 62.300 0.265 0.000 1.064 572 V CB -1.404 30.750 31.823 0.551 0.000 0.675 572 V HN 0.271 nan 8.190 nan 0.000 0.461 573 V N 0.644 120.584 119.914 0.044 0.000 2.295 573 V HA -0.282 3.839 4.120 0.001 0.000 0.246 573 V C 2.672 178.802 176.094 0.061 0.000 1.049 573 V CA 2.604 64.924 62.300 0.034 0.000 1.024 573 V CB -0.810 30.880 31.823 -0.223 0.000 0.648 573 V HN 0.662 nan 8.190 nan 0.000 0.447 574 K N -0.271 120.108 120.400 -0.036 0.000 2.020 574 K HA -0.232 4.089 4.320 0.001 0.000 0.212 574 K C 2.062 178.742 176.600 0.133 0.000 1.050 574 K CA 2.153 58.437 56.287 -0.004 0.000 0.929 574 K CB -0.323 32.112 32.500 -0.107 0.000 0.714 574 K HN 0.314 nan 8.250 nan 0.000 0.443 575 F N 0.234 120.217 119.950 0.055 0.000 2.134 575 F HA -0.109 4.419 4.527 0.001 0.000 0.299 575 F C 2.230 178.040 175.800 0.017 0.000 1.097 575 F CA 0.759 58.763 58.000 0.007 0.000 1.264 575 F CB -1.147 37.854 39.000 0.002 0.000 1.001 575 F HN 0.090 nan 8.300 nan 0.000 0.479 576 F N 1.025 121.026 119.950 0.084 0.000 2.234 576 F HA -0.189 4.339 4.527 0.001 0.000 0.299 576 F C 2.069 177.914 175.800 0.076 0.000 1.087 576 F CA 1.223 59.210 58.000 -0.021 0.000 1.340 576 F CB -0.299 38.405 39.000 -0.494 0.000 1.031 576 F HN -0.148 nan 8.300 nan 0.000 0.500 577 N N 0.595 119.460 118.700 0.276 0.000 2.106 577 N HA -0.159 4.582 4.740 0.001 0.000 0.188 577 N C 1.753 177.248 175.510 -0.024 0.000 1.029 577 N CA 1.569 54.689 53.050 0.117 0.000 0.848 577 N CB -0.601 37.928 38.487 0.070 0.000 1.007 577 N HN 0.473 nan 8.380 nan 0.000 0.423 578 Q N 0.797 120.593 119.800 -0.006 0.000 2.002 578 Q HA -0.129 4.212 4.340 0.001 0.000 0.204 578 Q C 2.037 177.939 176.000 -0.163 0.000 0.988 578 Q CA 1.436 57.203 55.803 -0.061 0.000 0.843 578 Q CB -0.153 28.575 28.738 -0.016 0.000 0.908 578 Q HN 0.301 nan 8.270 nan 0.000 0.420 579 K N -0.000 120.250 120.400 -0.250 0.000 2.044 579 K HA -0.161 4.160 4.320 0.001 0.000 0.210 579 K C 0.896 177.086 176.600 -0.684 0.000 1.049 579 K CA 1.417 57.389 56.287 -0.524 0.000 0.927 579 K CB 0.016 32.090 32.500 -0.710 0.000 0.713 579 K HN 0.095 nan 8.250 nan 0.000 0.443 580 F N 1.122 120.820 119.950 -0.419 0.000 2.647 580 F HA 0.213 4.740 4.527 0.001 0.000 0.300 580 F C -0.096 175.547 175.800 -0.262 0.000 1.106 580 F CA -0.502 57.244 58.000 -0.423 0.000 1.313 580 F CB 0.252 38.780 39.000 -0.786 0.000 1.007 580 F HN 0.057 nan 8.300 nan 0.000 0.536 581 N N 0.239 118.877 118.700 -0.103 0.000 2.701 581 N HA -0.235 4.506 4.740 0.001 0.000 0.250 581 N C 0.220 175.625 175.510 -0.176 0.000 1.046 581 N CA 0.771 53.750 53.050 -0.118 0.000 0.733 581 N CB -1.352 37.103 38.487 -0.052 0.000 0.973 581 N HN 0.368 nan 8.380 nan 0.000 0.541 582 A N -0.404 122.327 122.820 -0.148 0.000 2.239 582 A HA 0.641 4.962 4.320 0.001 0.000 0.303 582 A C 0.196 177.538 177.584 -0.403 0.000 1.114 582 A CA -0.338 51.639 52.037 -0.101 0.000 0.871 582 A CB 0.520 19.649 19.000 0.215 0.000 1.201 582 A HN 0.453 nan 8.150 nan 0.000 0.506 583 H N -0.677 118.454 119.070 0.101 0.000 2.790 583 H HA 0.332 4.889 4.556 0.001 0.000 0.232 583 H C -0.845 174.519 175.328 0.061 0.000 1.313 583 H CA -0.356 55.739 56.048 0.077 0.000 1.011 583 H CB -0.001 29.800 29.762 0.065 0.000 2.105 583 H HN 0.376 nan 8.280 nan 0.000 0.580 584 L N 0.945 122.213 121.223 0.076 0.000 2.456 584 L HA 0.037 4.378 4.340 0.001 0.000 0.272 584 L C 0.587 177.550 176.870 0.154 0.000 1.189 584 L CA 0.073 54.909 54.840 -0.008 0.000 0.846 584 L CB 0.468 42.298 42.059 -0.381 0.000 1.111 584 L HN 0.381 nan 8.230 nan 0.000 0.475 585 D N 1.995 122.569 120.400 0.290 0.000 2.317 585 D HA 0.224 4.864 4.640 0.001 0.000 0.252 585 D C 0.340 176.865 176.300 0.375 0.000 1.174 585 D CA -0.207 53.964 54.000 0.286 0.000 0.866 585 D CB 1.766 42.720 40.800 0.256 0.000 1.127 585 D HN 0.556 nan 8.370 nan 0.000 0.467 586 A N 3.380 126.363 122.820 0.273 0.000 2.370 586 A HA 0.179 4.500 4.320 0.001 0.000 0.238 586 A C 0.953 178.777 177.584 0.399 0.000 1.289 586 A CA -0.069 52.149 52.037 0.302 0.000 0.885 586 A CB -0.608 18.471 19.000 0.132 0.000 0.961 586 A HN 0.594 nan 8.150 nan 0.000 0.499 587 T N -2.926 111.808 114.554 0.299 0.000 2.904 587 T HA 0.373 4.723 4.350 0.001 0.000 0.290 587 T C 0.943 175.696 174.700 0.088 0.000 1.018 587 T CA 0.521 62.720 62.100 0.165 0.000 1.075 587 T CB 1.261 70.175 68.868 0.077 0.000 0.986 587 T HN 0.360 nan 8.240 nan 0.000 0.523 588 T N -1.984 112.576 114.554 0.010 0.000 2.959 588 T HA 0.238 4.588 4.350 0.001 0.000 0.254 588 T C -0.117 174.518 174.700 -0.108 0.000 1.003 588 T CA -0.263 61.766 62.100 -0.118 0.000 0.950 588 T CB 0.167 69.006 68.868 -0.049 0.000 1.090 588 T HN 0.568 nan 8.240 nan 0.000 0.503 589 D N 1.674 122.046 120.400 -0.047 0.000 2.303 589 D HA 0.288 4.929 4.640 0.001 0.000 0.236 589 D C -1.127 175.138 176.300 -0.058 0.000 1.068 589 D CA -0.587 53.399 54.000 -0.023 0.000 0.830 589 D CB 1.141 41.946 40.800 0.007 0.000 1.109 589 D HN 0.264 nan 8.370 nan 0.000 0.496 590 Y N 2.875 123.074 120.300 -0.169 0.000 2.526 590 Y HA 0.221 4.772 4.550 0.002 0.000 0.330 590 Y C -0.535 175.074 175.900 -0.486 0.000 1.156 590 Y CA -0.153 57.762 58.100 -0.309 0.000 1.419 590 Y CB 0.514 38.768 38.460 -0.343 0.000 1.250 590 Y HN 0.258 nan 8.280 nan 0.000 0.540 591 M N 10.548 129.346 119.600 -1.336 0.000 2.165 591 M HA 0.404 4.885 4.480 0.001 0.000 0.283 591 M C -2.373 173.167 176.300 -1.268 0.000 0.978 591 M CA -2.509 52.104 55.300 -1.145 0.000 0.948 591 M CB 1.765 34.069 32.600 -0.493 0.000 1.599 591 M HN 0.378 nan 8.290 nan 0.000 0.450 592 P HA 0.024 nan 4.420 nan 0.000 0.227 592 P C -0.501 176.509 177.300 -0.482 0.000 1.161 592 P CA 1.041 63.664 63.100 -0.794 0.000 0.788 592 P CB 0.013 31.353 31.700 -0.599 0.000 0.822 593 H N -0.339 118.597 119.070 -0.222 0.000 2.495 593 H HA 0.500 5.057 4.556 0.001 0.000 0.350 593 H C 0.310 175.559 175.328 -0.133 0.000 1.202 593 H CA -0.611 55.358 56.048 -0.131 0.000 1.322 593 H CB 1.058 30.766 29.762 -0.090 0.000 1.544 593 H HN -0.185 nan 8.280 nan 0.000 0.565 594 K N 0.836 121.261 120.400 0.042 0.000 2.352 594 K HA 0.493 4.814 4.320 0.001 0.000 0.240 594 K C -0.838 175.772 176.600 0.017 0.000 1.017 594 K CA -0.912 55.377 56.287 0.003 0.000 0.851 594 K CB 2.455 34.958 32.500 0.005 0.000 1.261 594 K HN 0.404 nan 8.250 nan 0.000 0.451 605 L N 3.059 124.279 121.223 -0.005 0.000 2.416 605 L HA 0.415 4.756 4.340 0.001 0.000 0.272 605 L C -1.599 175.267 176.870 -0.006 0.000 1.161 605 L CA -1.182 53.656 54.840 -0.003 0.000 0.845 605 L CB 0.043 42.095 42.059 -0.012 0.000 1.119 605 L HN 0.060 nan 8.230 nan 0.000 0.464 606 P HA 0.200 nan 4.420 nan 0.000 0.274 606 P C -0.705 176.596 177.300 0.001 0.000 1.237 606 P CA -0.414 62.685 63.100 -0.000 0.000 0.793 606 P CB 0.844 32.548 31.700 0.007 0.000 0.977 607 L N 1.243 122.464 121.223 -0.002 0.000 2.379 607 L HA 0.330 4.671 4.340 0.001 0.000 0.269 607 L C 0.895 177.784 176.870 0.032 0.000 1.084 607 L CA -0.395 54.456 54.840 0.018 0.000 0.802 607 L CB 0.562 42.636 42.059 0.026 0.000 1.175 607 L HN 0.344 nan 8.230 nan 0.000 0.448 608 Q N 1.133 120.965 119.800 0.054 0.000 2.394 608 Q HA 0.568 4.908 4.340 0.001 0.000 0.273 608 Q C -1.485 174.569 176.000 0.091 0.000 1.089 608 Q CA -0.789 55.055 55.803 0.068 0.000 0.812 608 Q CB 3.297 32.065 28.738 0.049 0.000 1.353 608 Q HN 0.294 nan 8.270 nan 0.000 0.438 609 V N 2.721 122.703 119.914 0.112 0.000 2.409 609 V HA 0.389 4.510 4.120 0.001 0.000 0.291 609 V C -0.717 175.380 176.094 0.005 0.000 1.020 609 V CA -0.700 61.655 62.300 0.090 0.000 0.848 609 V CB 1.445 33.372 31.823 0.174 0.000 0.990 609 V HN 0.558 nan 8.190 nan 0.000 0.430 610 K N 3.981 124.370 120.400 -0.018 0.000 2.450 610 K HA 0.768 5.089 4.320 0.001 0.000 0.257 610 K C 0.526 177.085 176.600 -0.069 0.000 0.953 610 K CA 0.217 56.474 56.287 -0.050 0.000 0.844 610 K CB 1.900 34.379 32.500 -0.034 0.000 1.103 610 K HN 0.880 nan 8.250 nan 0.000 0.429 611 A N 3.558 126.322 122.820 -0.093 0.000 5.395 611 A HA -0.342 3.979 4.320 0.001 0.000 0.324 611 A C 0.768 178.302 177.584 -0.084 0.000 1.813 611 A CA 1.771 53.751 52.037 -0.095 0.000 0.714 611 A CB -1.429 17.515 19.000 -0.093 0.000 1.374 611 A HN 0.933 nan 8.150 nan 0.000 0.390 612 N N 1.401 120.051 118.700 -0.082 0.000 2.322 612 N HA 0.157 4.898 4.740 0.001 0.000 0.216 612 N C 0.203 175.654 175.510 -0.098 0.000 1.144 612 N CA 0.483 53.479 53.050 -0.091 0.000 0.830 612 N CB -0.185 38.255 38.487 -0.077 0.000 1.034 612 N HN 0.677 nan 8.380 nan 0.000 0.484 613 R N -0.437 120.015 120.500 -0.080 0.000 2.668 613 R HA 0.650 4.990 4.340 0.001 0.000 0.279 613 R C -0.920 175.348 176.300 -0.053 0.000 0.976 613 R CA -0.885 55.171 56.100 -0.072 0.000 0.978 613 R CB 2.257 32.523 30.300 -0.058 0.000 1.133 613 R HN -0.114 nan 8.270 nan 0.000 0.484 614 V N 4.636 124.516 119.914 -0.057 0.000 2.482 614 V HA 0.411 4.532 4.120 0.001 0.000 0.295 614 V C -0.760 175.345 176.094 0.019 0.000 1.026 614 V CA -0.874 61.416 62.300 -0.016 0.000 0.856 614 V CB 1.529 33.294 31.823 -0.097 0.000 1.001 614 V HN 0.473 nan 8.190 nan 0.000 0.424 615 L N 3.670 124.923 121.223 0.049 0.000 2.388 615 L HA 0.745 5.086 4.340 0.001 0.000 0.264 615 L C -0.641 176.275 176.870 0.077 0.000 0.998 615 L CA -0.867 54.019 54.840 0.077 0.000 0.817 615 L CB 1.896 43.979 42.059 0.041 0.000 1.338 615 L HN 0.493 nan 8.230 nan 0.000 0.414 616 I N 1.690 122.319 120.570 0.099 0.000 2.496 616 I HA 0.179 4.350 4.170 0.001 0.000 0.285 616 I C 0.759 176.896 176.117 0.033 0.000 1.080 616 I CA -0.135 61.184 61.300 0.030 0.000 1.404 616 I CB 1.223 39.194 38.000 -0.049 0.000 1.403 616 I HN 0.659 nan 8.210 nan 0.000 0.539 617 S N 7.763 123.475 115.700 0.020 0.000 2.537 617 S HA 0.149 4.620 4.470 0.001 0.000 0.286 617 S C -1.710 172.900 174.600 0.018 0.000 1.299 617 S CA -1.056 57.157 58.200 0.022 0.000 1.067 617 S CB -0.262 62.951 63.200 0.022 0.000 0.864 617 S HN 0.500 nan 8.310 nan 0.000 0.494 632 E N 0.267 120.494 120.200 0.045 0.000 2.304 632 E HA 0.659 5.010 4.350 0.001 0.000 0.277 632 E C -1.954 174.701 176.600 0.091 0.000 0.898 632 E CA -0.493 55.970 56.400 0.105 0.000 0.764 632 E CB 2.483 32.262 29.700 0.132 0.000 1.216 632 E HN 0.426 nan 8.360 nan 0.000 0.419 633 I N 3.109 123.755 120.570 0.126 0.000 2.433 633 I HA 0.326 4.497 4.170 0.001 0.000 0.292 633 I C -0.406 175.738 176.117 0.045 0.000 1.001 633 I CA -0.665 60.682 61.300 0.078 0.000 1.119 633 I CB 1.941 39.987 38.000 0.077 0.000 1.289 633 I HN 0.514 nan 8.210 nan 0.000 0.438 634 E N 7.633 127.799 120.200 -0.056 0.000 2.182 634 E HA 0.472 4.823 4.350 0.001 0.000 0.258 634 E C -1.424 175.040 176.600 -0.226 0.000 0.879 634 E CA -0.608 55.591 56.400 -0.336 0.000 0.754 634 E CB 1.312 30.810 29.700 -0.337 0.000 1.162 634 E HN 0.534 nan 8.360 nan 0.000 0.419 635 L N 3.291 124.360 121.223 -0.257 0.000 2.453 635 L HA 0.172 4.513 4.340 0.001 0.000 0.261 635 L C 1.377 178.295 176.870 0.080 0.000 1.179 635 L CA -0.608 54.183 54.840 -0.081 0.000 0.813 635 L CB 0.562 42.540 42.059 -0.135 0.000 1.110 635 L HN 0.699 nan 8.230 nan 0.000 0.466 636 D N -0.091 120.530 120.400 0.369 0.000 2.392 636 D HA 0.065 4.706 4.640 0.001 0.000 0.228 636 D C 0.247 176.627 176.300 0.133 0.000 1.003 636 D CA 0.712 54.836 54.000 0.207 0.000 0.917 636 D CB 0.267 41.181 40.800 0.190 0.000 0.890 636 D HN 0.531 nan 8.370 nan 0.000 0.532 637 A N -0.677 122.228 122.820 0.141 0.000 2.536 637 A HA 0.560 4.880 4.320 0.001 0.000 0.293 637 A C -1.323 176.173 177.584 -0.146 0.000 1.119 637 A CA -0.953 51.026 52.037 -0.097 0.000 0.654 637 A CB 0.384 19.204 19.000 -0.300 0.000 1.291 637 A HN 0.073 nan 8.150 nan 0.000 0.439 638 I N 1.317 121.756 120.570 -0.219 0.000 2.396 638 I HA 0.386 4.557 4.170 0.001 0.000 0.289 638 I C -0.807 175.139 176.117 -0.285 0.000 1.056 638 I CA 0.269 61.491 61.300 -0.130 0.000 1.365 638 I CB 0.118 38.082 38.000 -0.060 0.000 1.407 638 I HN 0.559 nan 8.210 nan 0.000 0.509 639 Y N 6.386 126.679 120.300 -0.012 0.000 2.630 639 Y HA 0.523 5.074 4.550 0.002 0.000 0.337 639 Y C -2.351 173.546 175.900 -0.005 0.000 1.051 639 Y CA -2.857 55.239 58.100 -0.008 0.000 1.121 639 Y CB 1.045 39.493 38.460 -0.018 0.000 1.299 639 Y HN 0.355 nan 8.280 nan 0.000 0.498 640 P HA 0.202 nan 4.420 nan 0.000 0.286 640 P C -0.341 177.004 177.300 0.075 0.000 1.269 640 P CA -0.296 62.859 63.100 0.093 0.000 0.787 640 P CB 0.867 32.607 31.700 0.067 0.000 0.920 641 G N 2.012 110.842 108.800 0.050 0.000 2.444 641 G HA2 0.181 4.142 3.960 0.001 0.000 0.268 641 G HA3 0.181 4.142 3.960 0.001 0.000 0.268 641 G C 0.362 175.266 174.900 0.006 0.000 1.203 641 G CA -0.019 45.094 45.100 0.022 0.000 0.835 641 G HN 0.360 nan 8.290 nan 0.000 0.543 642 E N 0.100 120.292 120.200 -0.014 0.000 2.182 642 E HA 0.166 4.517 4.350 0.001 0.000 0.195 642 E C 0.536 177.120 176.600 -0.028 0.000 0.933 642 E CA 0.701 57.089 56.400 -0.020 0.000 0.940 642 E CB 0.424 30.105 29.700 -0.031 0.000 0.945 642 E HN 0.771 nan 8.360 nan 0.000 0.477 643 N N -1.381 117.292 118.700 -0.044 0.000 2.961 643 N HA 0.378 5.119 4.740 0.001 0.000 0.245 643 N C -1.557 173.900 175.510 -0.088 0.000 1.404 643 N CA -0.616 52.401 53.050 -0.056 0.000 0.880 643 N CB 1.080 39.534 38.487 -0.056 0.000 1.461 643 N HN -0.078 nan 8.380 nan 0.000 0.510 644 I N -0.221 120.282 120.570 -0.110 0.000 2.509 644 I HA 0.392 4.563 4.170 0.001 0.000 0.293 644 I C -0.874 175.115 176.117 -0.213 0.000 1.020 644 I CA -0.605 60.578 61.300 -0.194 0.000 1.088 644 I CB 2.023 39.889 38.000 -0.222 0.000 1.267 644 I HN 0.403 nan 8.210 nan 0.000 0.430 645 Q N 6.425 126.062 119.800 -0.271 0.000 2.310 645 Q HA 0.717 5.058 4.340 0.001 0.000 0.270 645 Q C -1.340 174.455 176.000 -0.342 0.000 1.025 645 Q CA -0.493 55.165 55.803 -0.241 0.000 0.772 645 Q CB 3.103 31.742 28.738 -0.166 0.000 1.253 645 Q HN 0.528 nan 8.270 nan 0.000 0.450 646 I N 1.533 121.893 120.570 -0.350 0.000 2.619 646 I HA 0.427 4.598 4.170 0.001 0.000 0.292 646 I C -0.983 174.833 176.117 -0.502 0.000 1.100 646 I CA -0.737 60.270 61.300 -0.489 0.000 1.043 646 I CB 2.465 40.096 38.000 -0.615 0.000 1.239 646 I HN 0.513 nan 8.210 nan 0.000 0.420 647 N N 3.563 121.904 118.700 -0.599 0.000 2.238 647 N HA 0.756 5.497 4.740 0.001 0.000 0.302 647 N C -1.567 173.568 175.510 -0.625 0.000 1.072 647 N CA -0.340 52.433 53.050 -0.462 0.000 0.792 647 N CB 1.867 40.226 38.487 -0.213 0.000 1.425 647 N HN 0.307 nan 8.380 nan 0.000 0.478 680 L N 1.634 122.818 121.223 -0.065 0.000 2.334 680 L HA 0.956 5.297 4.340 0.001 0.000 0.272 680 L C 0.652 177.478 176.870 -0.073 0.000 1.020 680 L CA -0.359 54.459 54.840 -0.038 0.000 0.812 680 L CB 2.277 44.336 42.059 0.000 0.000 1.264 680 L HN 1.163 nan 8.230 nan 0.000 0.439 681 S N 0.883 116.557 115.700 -0.044 0.000 2.578 681 S HA 0.904 5.375 4.470 0.001 0.000 0.285 681 S C -1.436 173.146 174.600 -0.030 0.000 1.126 681 S CA -0.348 57.816 58.200 -0.059 0.000 0.878 681 S CB 1.199 64.360 63.200 -0.064 0.000 1.091 681 S HN 1.005 nan 8.310 nan 0.000 0.450 682 A N 1.562 124.361 122.820 -0.035 0.000 2.435 682 A HA 0.953 5.274 4.320 0.001 0.000 0.304 682 A C 0.283 177.853 177.584 -0.023 0.000 1.064 682 A CA -0.478 51.549 52.037 -0.016 0.000 0.727 682 A CB 1.359 20.359 19.000 0.001 0.000 1.284 682 A HN 1.807 nan 8.150 nan 0.000 0.415 683 G N 0.134 108.926 108.800 -0.014 0.000 2.353 683 G HA2 0.487 4.448 3.960 0.001 0.000 0.284 683 G HA3 0.487 4.448 3.960 0.001 0.000 0.284 683 G C 0.398 175.294 174.900 -0.006 0.000 1.172 683 G CA -0.491 44.601 45.100 -0.014 0.000 0.854 683 G HN 0.666 nan 8.290 nan 0.000 0.485 684 L N 0.904 122.122 121.223 -0.007 0.000 2.446 684 L HA 0.072 4.413 4.340 0.001 0.000 0.219 684 L C 1.230 178.105 176.870 0.009 0.000 1.116 684 L CA 0.152 54.994 54.840 0.003 0.000 0.844 684 L CB -0.178 41.883 42.059 0.004 0.000 0.970 684 L HN 0.602 nan 8.230 nan 0.000 0.457 685 Q N 0.563 120.366 119.800 0.005 0.000 2.468 685 Q HA -0.226 4.114 4.340 0.001 0.000 0.289 685 Q C 0.291 176.298 176.000 0.012 0.000 1.299 685 Q CA 0.384 56.191 55.803 0.007 0.000 0.838 685 Q CB -0.916 27.826 28.738 0.008 0.000 1.195 685 Q HN 0.220 nan 8.270 nan 0.000 0.456 686 K N -4.737 115.671 120.400 0.014 0.000 3.529 686 K HA -0.241 4.080 4.320 0.001 0.000 0.313 686 K C 0.197 176.813 176.600 0.027 0.000 1.316 686 K CA 1.335 57.634 56.287 0.021 0.000 0.988 686 K CB -2.058 30.453 32.500 0.018 0.000 1.252 686 K HN 0.680 nan 8.250 nan 0.000 0.438 687 A N 2.133 124.968 122.820 0.026 0.000 2.498 687 A HA 0.358 4.679 4.320 0.001 0.000 0.239 687 A C -2.011 175.597 177.584 0.041 0.000 1.068 687 A CA -0.533 51.522 52.037 0.031 0.000 0.766 687 A CB -0.029 18.988 19.000 0.029 0.000 1.003 687 A HN -0.051 nan 8.150 nan 0.000 0.497 688 P HA 0.377 nan 4.420 nan 0.000 0.272 688 P C -0.733 176.609 177.300 0.069 0.000 1.223 688 P CA -0.120 63.011 63.100 0.053 0.000 0.784 688 P CB 1.016 32.741 31.700 0.041 0.000 0.923 689 V N 2.332 122.296 119.914 0.084 0.000 2.789 689 V HA 0.308 4.429 4.120 0.001 0.000 0.300 689 V C 0.114 176.264 176.094 0.094 0.000 1.184 689 V CA -0.346 62.012 62.300 0.096 0.000 0.930 689 V CB 1.762 33.633 31.823 0.080 0.000 1.041 689 V HN 0.596 nan 8.190 nan 0.000 0.430 690 K N 4.672 125.127 120.400 0.091 0.000 2.380 690 K HA 0.451 4.772 4.320 0.001 0.000 0.200 690 K C -0.312 176.155 176.600 -0.222 0.000 1.201 690 K CA 0.173 56.425 56.287 -0.058 0.000 0.916 690 K CB 0.423 32.878 32.500 -0.074 0.000 1.187 690 K HN 0.513 nan 8.250 nan 0.000 0.498 691 F N 1.184 121.170 119.950 0.060 0.000 2.492 691 F HA 0.474 5.001 4.527 0.001 0.000 0.327 691 F C -0.688 175.156 175.800 0.074 0.000 1.079 691 F CA -0.992 57.046 58.000 0.062 0.000 0.967 691 F CB 2.170 41.203 39.000 0.055 0.000 1.169 691 F HN -0.355 nan 8.300 nan 0.000 0.472 692 V N 3.053 123.124 119.914 0.263 0.000 2.567 692 V HA 0.528 4.649 4.120 0.001 0.000 0.298 692 V C -0.645 175.610 176.094 0.268 0.000 1.047 692 V CA -0.858 61.584 62.300 0.236 0.000 0.880 692 V CB 1.757 33.709 31.823 0.215 0.000 1.009 692 V HN 0.792 nan 8.190 nan 0.000 0.429 693 R N 3.089 123.747 120.500 0.265 0.000 2.807 693 R HA 0.816 5.157 4.340 0.001 0.000 0.276 693 R C -1.967 174.539 176.300 0.344 0.000 0.979 693 R CA -0.434 55.818 56.100 0.254 0.000 0.928 693 R CB 2.269 32.666 30.300 0.162 0.000 1.191 693 R HN 0.537 nan 8.270 nan 0.000 0.471 710 V N 5.199 124.980 119.914 -0.222 0.000 2.487 710 V HA 0.545 4.666 4.120 0.001 0.000 0.298 710 V C -0.822 175.161 176.094 -0.185 0.000 1.028 710 V CA -0.800 61.424 62.300 -0.126 0.000 0.860 710 V CB 1.880 33.645 31.823 -0.097 0.000 0.991 710 V HN 0.467 nan 8.190 nan 0.000 0.427 711 L N 4.739 125.896 121.223 -0.109 0.000 2.287 711 L HA 0.720 5.061 4.340 0.001 0.000 0.287 711 L C 0.151 176.961 176.870 -0.100 0.000 1.022 711 L CA 0.581 55.355 54.840 -0.111 0.000 0.814 711 L CB 1.742 43.758 42.059 -0.071 0.000 1.217 711 L HN 0.725 nan 8.230 nan 0.000 0.420 712 T N 6.861 121.357 114.554 -0.095 0.000 2.749 712 T HA 0.550 4.901 4.350 0.001 0.000 0.287 712 T C 0.210 174.861 174.700 -0.082 0.000 0.970 712 T CA -0.292 61.755 62.100 -0.088 0.000 0.980 712 T CB 0.401 69.225 68.868 -0.074 0.000 0.924 712 T HN 0.605 nan 8.240 nan 0.000 0.456 713 I N -0.211 120.295 120.570 -0.106 0.000 3.076 713 I HA 0.614 4.785 4.170 0.001 0.000 0.313 713 I C 0.221 176.306 176.117 -0.053 0.000 1.053 713 I CA -1.270 59.979 61.300 -0.085 0.000 1.048 713 I CB 1.380 39.273 38.000 -0.179 0.000 1.264 713 I HN 0.449 nan 8.210 nan 0.000 0.498 714 E N 2.924 123.127 120.200 0.004 0.000 2.129 714 E HA 0.266 4.617 4.350 0.001 0.000 0.283 714 E C -0.823 175.806 176.600 0.049 0.000 1.080 714 E CA -0.144 56.272 56.400 0.026 0.000 0.867 714 E CB 0.668 30.398 29.700 0.051 0.000 1.056 714 E HN 0.619 nan 8.360 nan 0.000 0.404 715 K N 0.000 120.406 120.400 0.009 0.000 2.780 715 K HA 0.000 4.321 4.320 0.001 0.000 0.191 715 K CA 0.000 56.301 56.287 0.023 0.000 0.838 715 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 715 K HN 0.000 nan 8.250 nan 0.000 0.543