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 3e6u_1_B DATA FIRST_RESID -1 DATA SEQUENCE EFMAQRAFPN PYADYNKSLA EGYFDAAGRL TPEFSQRLTN KIRELLQQME DATA SEQUENCE RGLKSADPRD GTGYTGWAGI AVLYLHLYDV FGDPAYLQLA HGYVKQSLNC DATA SEQUENCE LTKRSITFLC GDAGPLAVAA VLYHKMNNEK QAEDCITRLI HLNKIDPHAP DATA SEQUENCE NEMLYGRIGY IYALLFVNKN FGVEKIPQSH IQQICETILT SGENLARKRN DATA SEQUENCE FTAKSPLMYE WYQEYYVGAA HGLAGIYYYL MQPSLQVSQG KLHSLVKPSV DATA SEQUENCE DYVCQLKFPS GNYPPCIGDN RDLLVHWCHG APGVIYMLIQ AYKVFREEKY DATA SEQUENCE LCDAYQCADV IWQYGLLKKG YGLCHGSAGN AYAFLTLYNL TQDMKYLYRA DATA SEQUENCE CKFAEWCLEY GEHGCRTPDT PFSLFEGMAG TIYFLADLLV PTKARFPAFE DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 E HA 0.000 nan 4.350 nan 0.000 0.291 -1 E C 0.000 176.396 176.600 -0.340 0.000 1.382 -1 E CA 0.000 56.202 56.400 -0.329 0.000 0.976 -1 E CB 0.000 29.381 29.700 -0.531 0.000 0.812 0 F N 3.631 123.515 119.950 -0.110 0.000 2.506 0 F HA 0.129 4.656 4.527 -0.000 0.000 0.371 0 F C 1.886 177.572 175.800 -0.191 0.000 1.078 0 F CA 0.185 58.093 58.000 -0.154 0.000 1.195 0 F CB 0.359 39.263 39.000 -0.159 0.000 1.099 0 F HN 0.342 nan 8.300 nan 0.000 0.548 1 M N 1.997 121.563 119.600 -0.058 0.000 3.747 1 M HA -0.511 3.969 4.480 -0.000 0.000 0.292 1 M C 2.330 178.516 176.300 -0.189 0.000 0.521 1 M CA 2.525 57.694 55.300 -0.219 0.000 0.831 1 M CB -1.394 30.897 32.600 -0.515 0.000 1.702 1 M HN 0.821 nan 8.290 nan 0.000 0.588 2 A N -0.847 121.821 122.820 -0.253 0.000 1.954 2 A HA -0.298 4.022 4.320 -0.000 0.000 0.222 2 A C 1.628 179.225 177.584 0.021 0.000 1.199 2 A CA 2.679 54.721 52.037 0.008 0.000 0.657 2 A CB -0.861 18.164 19.000 0.042 0.000 0.823 2 A HN 0.825 nan 8.150 nan 0.000 0.463 3 Q N -1.825 117.966 119.800 -0.014 0.000 2.360 3 Q HA 0.190 4.530 4.340 -0.000 0.000 0.202 3 Q C 1.754 177.699 176.000 -0.092 0.000 0.915 3 Q CA 0.354 56.135 55.803 -0.036 0.000 0.943 3 Q CB 0.273 29.000 28.738 -0.017 0.000 1.064 3 Q HN 0.624 nan 8.270 nan 0.000 0.511 4 R N -0.227 120.217 120.500 -0.093 0.000 2.362 4 R HA 0.374 4.714 4.340 -0.000 0.000 0.227 4 R C -0.393 175.809 176.300 -0.163 0.000 0.905 4 R CA 0.082 56.111 56.100 -0.118 0.000 1.067 4 R CB 0.923 31.183 30.300 -0.067 0.000 1.078 4 R HN 0.028 nan 8.270 nan 0.000 0.516 5 A N 0.411 123.147 122.820 -0.141 0.000 2.386 5 A HA 0.561 4.881 4.320 -0.000 0.000 0.311 5 A C -0.837 176.611 177.584 -0.227 0.000 1.068 5 A CA -0.706 51.237 52.037 -0.157 0.000 0.743 5 A CB 0.613 19.645 19.000 0.052 0.000 1.258 5 A HN 0.064 nan 8.150 nan 0.000 0.429 6 F N 1.714 121.569 119.950 -0.157 0.000 2.518 6 F HA 0.355 4.882 4.527 -0.000 0.000 0.359 6 F C -1.797 173.844 175.800 -0.264 0.000 1.118 6 F CA -1.151 56.735 58.000 -0.190 0.000 1.287 6 F CB 0.140 38.976 39.000 -0.274 0.000 1.132 6 F HN 0.291 nan 8.300 nan 0.000 0.587 7 P HA 0.022 nan 4.420 nan 0.000 0.276 7 P C -0.711 176.434 177.300 -0.259 0.000 1.235 7 P CA -0.369 62.659 63.100 -0.120 0.000 0.772 7 P CB 0.345 32.013 31.700 -0.053 0.000 0.871 8 N N 3.997 122.474 118.700 -0.373 0.000 2.427 8 N HA 0.032 4.772 4.740 -0.000 0.000 0.269 8 N C -1.222 174.038 175.510 -0.415 0.000 1.235 8 N CA -1.099 51.636 53.050 -0.525 0.000 0.934 8 N CB 0.365 38.461 38.487 -0.651 0.000 1.121 8 N HN 0.276 nan 8.380 nan 0.000 0.480 9 P HA -0.019 nan 4.420 nan 0.000 0.227 9 P C -0.777 176.379 177.300 -0.239 0.000 1.161 9 P CA 0.651 63.532 63.100 -0.364 0.000 0.788 9 P CB 0.165 31.630 31.700 -0.391 0.000 0.822 10 Y N 0.512 120.844 120.300 0.053 0.000 2.346 10 Y HA 0.378 4.928 4.550 -0.000 0.000 0.330 10 Y C 1.304 177.373 175.900 0.282 0.000 1.178 10 Y CA -1.530 56.688 58.100 0.197 0.000 1.331 10 Y CB 0.248 38.879 38.460 0.284 0.000 1.253 10 Y HN -0.105 nan 8.280 nan 0.000 0.529 11 A N 2.605 125.693 122.820 0.446 0.000 2.425 11 A HA 0.075 4.395 4.320 -0.000 0.000 0.249 11 A C -0.090 177.769 177.584 0.459 0.000 1.084 11 A CA -0.558 51.687 52.037 0.347 0.000 0.781 11 A CB 0.141 19.273 19.000 0.220 0.000 1.019 11 A HN 0.780 nan 8.150 nan 0.000 0.490 12 D N -0.156 120.447 120.400 0.338 0.000 2.360 12 D HA 0.158 4.798 4.640 -0.000 0.000 0.242 12 D C 0.004 176.176 176.300 -0.213 0.000 1.184 12 D CA 0.053 54.167 54.000 0.191 0.000 0.930 12 D CB 0.245 41.132 40.800 0.145 0.000 1.161 12 D HN 0.445 nan 8.370 nan 0.000 0.447 13 Y N 2.249 122.115 120.300 -0.723 0.000 2.810 13 Y HA 0.004 4.554 4.550 -0.000 0.000 0.332 13 Y C -0.206 175.355 175.900 -0.565 0.000 1.243 13 Y CA 0.118 57.550 58.100 -1.113 0.000 1.537 13 Y CB -0.065 37.882 38.460 -0.854 0.000 1.265 13 Y HN 0.402 nan 8.280 nan 0.000 0.572 14 N N 3.006 121.007 118.700 -1.166 0.000 2.329 14 N HA 0.214 4.954 4.740 -0.000 0.000 0.282 14 N C -0.116 174.743 175.510 -1.085 0.000 1.198 14 N CA -0.988 51.415 53.050 -1.079 0.000 0.790 14 N CB 1.614 39.807 38.487 -0.490 0.000 1.579 14 N HN 0.562 nan 8.380 nan 0.000 0.475 15 K N 0.251 120.163 120.400 -0.815 0.000 2.173 15 K HA -0.252 4.068 4.320 -0.000 0.000 0.207 15 K C 1.496 177.918 176.600 -0.298 0.000 1.046 15 K CA 2.057 58.088 56.287 -0.428 0.000 0.929 15 K CB -0.197 32.187 32.500 -0.193 0.000 0.720 15 K HN 0.593 nan 8.250 nan 0.000 0.453 16 S N 0.394 115.928 115.700 -0.276 0.000 2.335 16 S HA -0.074 4.396 4.470 -0.000 0.000 0.217 16 S C 1.859 176.357 174.600 -0.170 0.000 1.032 16 S CA 0.996 59.087 58.200 -0.182 0.000 0.985 16 S CB -0.279 62.835 63.200 -0.144 0.000 0.896 16 S HN 0.368 nan 8.310 nan 0.000 0.445 17 L N 1.269 122.383 121.223 -0.182 0.000 2.349 17 L HA -0.046 4.294 4.340 -0.000 0.000 0.220 17 L C 2.773 179.664 176.870 0.035 0.000 1.130 17 L CA 0.897 55.703 54.840 -0.056 0.000 0.791 17 L CB -0.535 41.515 42.059 -0.015 0.000 0.918 17 L HN 0.490 nan 8.230 nan 0.000 0.444 18 A N -0.371 122.375 122.820 -0.124 0.000 1.968 18 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 18 A C 2.118 179.481 177.584 -0.369 0.000 1.169 18 A CA 1.004 52.943 52.037 -0.163 0.000 0.638 18 A CB -0.243 18.623 19.000 -0.223 0.000 0.812 18 A HN 0.408 nan 8.150 nan 0.000 0.446 19 E N -0.448 119.598 120.200 -0.257 0.000 2.160 19 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 19 E C 1.927 178.405 176.600 -0.202 0.000 0.991 19 E CA 0.746 57.016 56.400 -0.216 0.000 0.810 19 E CB -0.305 29.314 29.700 -0.136 0.000 0.742 19 E HN 0.629 nan 8.360 nan 0.000 0.466 20 G N -0.692 107.966 108.800 -0.236 0.000 2.559 20 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 20 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 20 G C 0.845 175.440 174.900 -0.509 0.000 1.126 20 G CA 0.565 45.447 45.100 -0.363 0.000 0.778 20 G HN 0.234 nan 8.290 nan 0.000 0.543 21 Y N -0.810 119.327 120.300 -0.272 0.000 2.607 21 Y HA 0.390 4.940 4.550 -0.000 0.000 0.276 21 Y C 0.499 176.467 175.900 0.114 0.000 1.117 21 Y CA -0.443 57.513 58.100 -0.240 0.000 1.273 21 Y CB 0.512 38.773 38.460 -0.332 0.000 1.282 21 Y HN 0.193 nan 8.280 nan 0.000 0.514 22 F N -1.712 118.338 119.950 0.166 0.000 2.773 22 F HA 0.530 5.057 4.527 -0.000 0.000 0.314 22 F C -1.698 174.166 175.800 0.107 0.000 1.160 22 F CA -1.823 56.258 58.000 0.135 0.000 0.920 22 F CB 0.739 39.816 39.000 0.129 0.000 1.323 22 F HN -0.125 nan 8.300 nan 0.000 0.457 23 D N 0.715 121.327 120.400 0.353 0.000 2.442 23 D HA 0.556 5.196 4.640 -0.000 0.000 0.254 23 D C 0.961 177.443 176.300 0.302 0.000 1.069 23 D CA -0.376 53.755 54.000 0.218 0.000 1.017 23 D CB 1.135 42.020 40.800 0.140 0.000 1.172 23 D HN 0.867 nan 8.370 nan 0.000 0.561 24 A N -0.206 122.731 122.820 0.195 0.000 2.139 24 A HA 0.026 4.346 4.320 -0.000 0.000 0.221 24 A C 1.910 179.605 177.584 0.184 0.000 1.159 24 A CA 1.989 54.140 52.037 0.191 0.000 0.662 24 A CB -1.147 17.925 19.000 0.120 0.000 0.796 24 A HN 0.692 nan 8.150 nan 0.000 0.463 25 A N -1.907 121.014 122.820 0.168 0.000 2.275 25 A HA 0.440 4.760 4.320 -0.000 0.000 0.212 25 A C 1.662 179.334 177.584 0.147 0.000 1.201 25 A CA 1.039 53.156 52.037 0.133 0.000 0.843 25 A CB -0.798 18.262 19.000 0.100 0.000 0.873 25 A HN 1.887 nan 8.150 nan 0.000 0.492 26 G N -0.616 108.305 108.800 0.203 0.000 2.182 26 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 26 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 26 G C 0.141 175.087 174.900 0.076 0.000 1.042 26 G CA 0.250 45.408 45.100 0.097 0.000 0.775 26 G HN 0.508 nan 8.290 nan 0.000 0.501 27 R N 0.321 120.924 120.500 0.171 0.000 2.255 27 R HA 0.478 4.818 4.340 -0.000 0.000 0.326 27 R C 0.817 177.254 176.300 0.229 0.000 0.986 27 R CA -0.791 55.396 56.100 0.144 0.000 0.847 27 R CB 0.344 30.714 30.300 0.116 0.000 1.111 27 R HN 0.317 nan 8.270 nan 0.000 0.452 28 L N 4.055 125.407 121.223 0.215 0.000 2.462 28 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 28 L C 1.208 178.225 176.870 0.245 0.000 1.166 28 L CA -0.037 54.997 54.840 0.324 0.000 0.880 28 L CB 0.278 42.525 42.059 0.313 0.000 1.142 28 L HN 0.700 nan 8.230 nan 0.000 0.473 29 T N 0.764 115.468 114.554 0.251 0.000 2.903 29 T HA -0.018 4.332 4.350 -0.000 0.000 0.299 29 T C -1.671 173.115 174.700 0.143 0.000 1.041 29 T CA -1.039 61.155 62.100 0.156 0.000 1.138 29 T CB 0.469 69.401 68.868 0.106 0.000 1.040 29 T HN 0.437 nan 8.240 nan 0.000 0.524 30 P HA -0.123 nan 4.420 nan 0.000 0.218 30 P C 1.595 178.928 177.300 0.055 0.000 1.148 30 P CA 0.734 63.868 63.100 0.057 0.000 0.822 30 P CB 0.075 31.798 31.700 0.038 0.000 0.784 31 E N -1.031 119.209 120.200 0.066 0.000 2.058 31 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 31 E C 1.779 178.449 176.600 0.117 0.000 0.997 31 E CA 1.290 57.728 56.400 0.064 0.000 0.801 31 E CB -0.692 29.032 29.700 0.040 0.000 0.746 31 E HN 0.154 nan 8.360 nan 0.000 0.450 32 F N 1.385 121.328 119.950 -0.012 0.000 2.098 32 F HA -0.067 4.460 4.527 -0.000 0.000 0.294 32 F C 2.625 178.448 175.800 0.038 0.000 1.107 32 F CA 1.479 59.487 58.000 0.014 0.000 1.234 32 F CB -0.793 38.241 39.000 0.056 0.000 1.002 32 F HN -0.082 nan 8.300 nan 0.000 0.472 33 S N 0.177 115.827 115.700 -0.084 0.000 2.389 33 S HA -0.391 4.079 4.470 -0.000 0.000 0.231 33 S C 1.918 176.442 174.600 -0.126 0.000 1.052 33 S CA 1.921 60.033 58.200 -0.147 0.000 1.053 33 S CB -0.580 62.607 63.200 -0.023 0.000 0.886 33 S HN 0.568 nan 8.310 nan 0.000 0.456 34 Q N 1.115 120.880 119.800 -0.058 0.000 2.020 34 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 34 Q C 2.210 178.172 176.000 -0.064 0.000 0.982 34 Q CA 1.506 57.286 55.803 -0.040 0.000 0.838 34 Q CB -0.169 28.563 28.738 -0.010 0.000 0.899 34 Q HN 0.439 nan 8.270 nan 0.000 0.423 35 R N -0.050 120.412 120.500 -0.064 0.000 2.096 35 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 35 R C 2.457 178.684 176.300 -0.121 0.000 1.139 35 R CA 1.669 57.733 56.100 -0.059 0.000 0.952 35 R CB -0.805 29.507 30.300 0.020 0.000 0.854 35 R HN 0.335 nan 8.270 nan 0.000 0.436 36 L N 0.243 121.310 121.223 -0.260 0.000 1.990 36 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 36 L C 2.508 179.304 176.870 -0.123 0.000 1.072 36 L CA 1.811 56.496 54.840 -0.258 0.000 0.755 36 L CB -1.001 40.801 42.059 -0.429 0.000 0.889 36 L HN 0.264 nan 8.230 nan 0.000 0.432 37 T N -0.582 113.922 114.554 -0.084 0.000 2.788 37 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 37 T C 1.693 176.339 174.700 -0.089 0.000 1.044 37 T CA 1.345 63.422 62.100 -0.038 0.000 1.139 37 T CB -0.273 68.591 68.868 -0.007 0.000 0.867 37 T HN 0.295 nan 8.240 nan 0.000 0.454 38 N N 1.143 119.796 118.700 -0.079 0.000 2.028 38 N HA -0.066 4.674 4.740 -0.000 0.000 0.194 38 N C 1.845 177.313 175.510 -0.071 0.000 1.050 38 N CA 1.145 54.151 53.050 -0.073 0.000 0.848 38 N CB -0.511 37.944 38.487 -0.053 0.000 1.038 38 N HN 0.195 nan 8.380 nan 0.000 0.423 39 K N 1.345 121.706 120.400 -0.064 0.000 2.052 39 K HA -0.100 4.220 4.320 -0.000 0.000 0.215 39 K C 1.982 178.537 176.600 -0.076 0.000 1.053 39 K CA 1.182 57.430 56.287 -0.065 0.000 0.934 39 K CB -0.733 31.736 32.500 -0.052 0.000 0.717 39 K HN 0.219 nan 8.250 nan 0.000 0.450 40 I N 0.311 120.839 120.570 -0.069 0.000 2.113 40 I HA -0.397 3.773 4.170 -0.000 0.000 0.242 40 I C 2.358 178.430 176.117 -0.074 0.000 1.064 40 I CA 1.874 63.137 61.300 -0.063 0.000 1.320 40 I CB -0.326 37.660 38.000 -0.024 0.000 1.028 40 I HN 0.232 nan 8.210 nan 0.000 0.406 41 R N 0.256 120.703 120.500 -0.088 0.000 2.120 41 R HA -0.179 4.161 4.340 -0.000 0.000 0.234 41 R C 2.177 178.448 176.300 -0.048 0.000 1.123 41 R CA 1.282 57.340 56.100 -0.069 0.000 0.975 41 R CB -0.363 29.882 30.300 -0.092 0.000 0.866 41 R HN 0.479 nan 8.270 nan 0.000 0.446 42 E N 0.996 121.159 120.200 -0.061 0.000 2.017 42 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 42 E C 2.047 178.606 176.600 -0.068 0.000 0.997 42 E CA 1.023 57.388 56.400 -0.059 0.000 0.804 42 E CB 0.019 29.680 29.700 -0.066 0.000 0.757 42 E HN 0.231 nan 8.360 nan 0.000 0.448 43 L N 0.685 121.847 121.223 -0.101 0.000 2.046 43 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 43 L C 2.563 179.386 176.870 -0.077 0.000 1.077 43 L CA 0.709 55.465 54.840 -0.141 0.000 0.747 43 L CB -0.420 41.501 42.059 -0.231 0.000 0.896 43 L HN 0.244 nan 8.230 nan 0.000 0.432 44 L N -0.525 120.669 121.223 -0.048 0.000 2.081 44 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 44 L C 2.786 179.675 176.870 0.031 0.000 1.080 44 L CA 1.482 56.324 54.840 0.004 0.000 0.754 44 L CB -0.496 41.591 42.059 0.046 0.000 0.893 44 L HN 0.407 nan 8.230 nan 0.000 0.433 45 Q N -0.710 119.095 119.800 0.008 0.000 2.016 45 Q HA -0.256 4.084 4.340 -0.000 0.000 0.200 45 Q C 2.263 178.252 176.000 -0.019 0.000 0.978 45 Q CA 1.493 57.299 55.803 0.005 0.000 0.833 45 Q CB -0.184 28.551 28.738 -0.006 0.000 0.895 45 Q HN 0.552 nan 8.270 nan 0.000 0.427 46 Q N 0.375 120.159 119.800 -0.027 0.000 2.077 46 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 46 Q C 2.132 178.079 176.000 -0.089 0.000 0.989 46 Q CA 1.856 57.647 55.803 -0.019 0.000 0.853 46 Q CB -0.216 28.530 28.738 0.014 0.000 0.907 46 Q HN 0.434 nan 8.270 nan 0.000 0.418 47 M N 0.285 119.854 119.600 -0.052 0.000 2.117 47 M HA -0.215 4.265 4.480 -0.000 0.000 0.262 47 M C 1.772 177.929 176.300 -0.238 0.000 1.065 47 M CA 1.844 57.070 55.300 -0.122 0.000 1.114 47 M CB -0.001 32.625 32.600 0.042 0.000 1.361 47 M HN -0.011 nan 8.290 nan 0.000 0.408 48 E N 0.338 120.501 120.200 -0.062 0.000 2.150 48 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 48 E C 1.855 178.425 176.600 -0.051 0.000 0.985 48 E CA 1.423 57.837 56.400 0.023 0.000 0.814 48 E CB 0.043 29.807 29.700 0.107 0.000 0.752 48 E HN 0.507 nan 8.360 nan 0.000 0.466 49 R N -0.891 119.536 120.500 -0.122 0.000 2.070 49 R HA 0.028 4.368 4.340 -0.000 0.000 0.227 49 R C 2.453 178.614 176.300 -0.231 0.000 1.147 49 R CA 1.457 57.482 56.100 -0.125 0.000 0.924 49 R CB -1.044 29.203 30.300 -0.090 0.000 0.827 49 R HN 0.306 nan 8.270 nan 0.000 0.431 50 G N 1.159 109.652 108.800 -0.512 0.000 2.606 50 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.221 50 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.221 50 G C 1.385 175.963 174.900 -0.536 0.000 1.152 50 G CA 1.184 45.769 45.100 -0.858 0.000 0.765 50 G HN 0.216 nan 8.290 nan 0.000 0.595 51 L N -0.291 120.649 121.223 -0.471 0.000 2.263 51 L HA -0.132 4.208 4.340 -0.000 0.000 0.216 51 L C 2.932 179.911 176.870 0.181 0.000 1.111 51 L CA 1.338 56.170 54.840 -0.013 0.000 0.773 51 L CB -0.214 41.931 42.059 0.142 0.000 0.906 51 L HN 0.276 nan 8.230 nan 0.000 0.439 52 K N -0.489 119.957 120.400 0.076 0.000 2.217 52 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 52 K C 1.430 178.112 176.600 0.138 0.000 1.051 52 K CA 1.356 57.711 56.287 0.112 0.000 0.952 52 K CB 0.042 32.569 32.500 0.044 0.000 0.736 52 K HN 0.284 nan 8.250 nan 0.000 0.453 53 S N -0.356 115.411 115.700 0.112 0.000 2.506 53 S HA 0.472 4.942 4.470 -0.000 0.000 0.245 53 S C -0.047 174.648 174.600 0.158 0.000 1.088 53 S CA -0.923 57.354 58.200 0.129 0.000 1.099 53 S CB 0.682 63.940 63.200 0.098 0.000 0.805 53 S HN 0.155 nan 8.310 nan 0.000 0.461 54 A N 0.985 123.928 122.820 0.205 0.000 2.306 54 A HA 0.588 4.908 4.320 -0.000 0.000 0.330 54 A C -0.097 177.578 177.584 0.152 0.000 1.146 54 A CA -0.706 51.415 52.037 0.139 0.000 0.827 54 A CB 0.294 19.314 19.000 0.032 0.000 1.178 54 A HN 0.456 nan 8.150 nan 0.000 0.490 55 D N 2.400 122.837 120.400 0.062 0.000 2.661 55 D HA 0.020 4.660 4.640 -0.000 0.000 0.244 55 D C -1.058 175.353 176.300 0.185 0.000 1.196 55 D CA -0.528 53.525 54.000 0.087 0.000 0.881 55 D CB 0.687 41.502 40.800 0.025 0.000 1.141 55 D HN 0.213 nan 8.370 nan 0.000 0.530 56 P HA -0.158 nan 4.420 nan 0.000 0.222 56 P C 1.017 178.596 177.300 0.465 0.000 1.147 56 P CA 0.775 64.184 63.100 0.515 0.000 0.790 56 P CB 0.227 32.097 31.700 0.283 0.000 0.780 57 R N -0.066 120.579 120.500 0.242 0.000 2.115 57 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 57 R C 0.754 177.140 176.300 0.143 0.000 1.100 57 R CA 0.685 56.887 56.100 0.171 0.000 0.980 57 R CB -1.033 29.330 30.300 0.105 0.000 0.875 57 R HN 0.233 nan 8.270 nan 0.000 0.445 58 D N 0.605 121.032 120.400 0.046 0.000 2.365 58 D HA 0.086 4.726 4.640 -0.000 0.000 0.237 58 D C 0.647 176.866 176.300 -0.135 0.000 1.190 58 D CA -0.026 53.935 54.000 -0.065 0.000 0.867 58 D CB 0.992 41.703 40.800 -0.150 0.000 1.050 58 D HN 0.198 nan 8.370 nan 0.000 0.491 59 G N 2.632 111.448 108.800 0.028 0.000 3.189 59 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.225 59 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.225 59 G C 0.750 175.647 174.900 -0.004 0.000 1.159 59 G CA 0.051 45.214 45.100 0.104 0.000 0.763 59 G HN 0.537 nan 8.290 nan 0.000 0.549 60 T N -2.136 112.380 114.554 -0.064 0.000 2.926 60 T HA 0.406 4.756 4.350 -0.000 0.000 0.307 60 T C 1.797 176.429 174.700 -0.114 0.000 1.059 60 T CA 0.256 62.306 62.100 -0.084 0.000 1.122 60 T CB 1.807 70.643 68.868 -0.054 0.000 0.972 60 T HN 0.037 nan 8.240 nan 0.000 0.545 61 G N 0.678 109.375 108.800 -0.172 0.000 2.476 61 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 61 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 61 G C 1.119 175.974 174.900 -0.075 0.000 1.164 61 G CA 0.980 45.976 45.100 -0.174 0.000 0.768 61 G HN 0.876 nan 8.290 nan 0.000 0.560 62 Y N 1.983 122.141 120.300 -0.237 0.000 2.145 62 Y HA -0.137 4.413 4.550 -0.000 0.000 0.286 62 Y C 2.918 178.762 175.900 -0.094 0.000 1.145 62 Y CA 2.535 60.480 58.100 -0.259 0.000 1.148 62 Y CB 0.073 38.327 38.460 -0.342 0.000 0.981 62 Y HN 0.304 nan 8.280 nan 0.000 0.507 63 T N -3.438 111.116 114.554 0.001 0.000 3.058 63 T HA 0.512 4.862 4.350 -0.000 0.000 0.278 63 T C 0.575 175.166 174.700 -0.182 0.000 0.974 63 T CA 0.148 62.204 62.100 -0.073 0.000 0.893 63 T CB 0.248 69.135 68.868 0.033 0.000 1.138 63 T HN 0.329 nan 8.240 nan 0.000 0.529 64 G N -0.288 108.380 108.800 -0.219 0.000 3.135 64 G HA2 0.491 4.451 3.960 -0.000 0.000 0.278 64 G HA3 0.491 4.451 3.960 -0.000 0.000 0.278 64 G C -0.150 174.566 174.900 -0.307 0.000 1.302 64 G CA -0.946 43.894 45.100 -0.432 0.000 0.880 64 G HN 0.191 nan 8.290 nan 0.000 0.574 65 W N 0.161 121.461 121.300 0.001 0.000 2.290 65 W HA -0.116 4.544 4.660 -0.000 0.000 0.318 65 W C 2.835 179.342 176.519 -0.021 0.000 1.248 65 W CA 1.487 58.840 57.345 0.015 0.000 1.263 65 W CB -0.323 29.207 29.460 0.116 0.000 1.147 65 W HN 0.505 nan 8.180 nan 0.000 0.494 66 A N 0.917 123.821 122.820 0.141 0.000 1.978 66 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 66 A C 2.213 179.773 177.584 -0.040 0.000 1.170 66 A CA 2.001 54.042 52.037 0.006 0.000 0.636 66 A CB -1.495 17.424 19.000 -0.136 0.000 0.810 66 A HN 0.365 nan 8.150 nan 0.000 0.448 67 G N 0.188 108.954 108.800 -0.057 0.000 2.402 67 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 67 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 67 G C 1.364 176.248 174.900 -0.026 0.000 1.162 67 G CA 1.086 46.162 45.100 -0.041 0.000 0.777 67 G HN 0.388 nan 8.290 nan 0.000 0.539 68 I N 1.939 122.463 120.570 -0.076 0.000 2.286 68 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 68 I C 3.160 179.270 176.117 -0.011 0.000 1.115 68 I CA 1.175 62.381 61.300 -0.157 0.000 1.392 68 I CB -1.389 36.358 38.000 -0.421 0.000 1.065 68 I HN 0.253 nan 8.210 nan 0.000 0.418 69 A N 0.487 123.374 122.820 0.112 0.000 2.015 69 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 69 A C 2.549 180.277 177.584 0.239 0.000 1.163 69 A CA 1.049 53.242 52.037 0.261 0.000 0.646 69 A CB -0.743 18.397 19.000 0.234 0.000 0.806 69 A HN 0.241 nan 8.150 nan 0.000 0.448 70 V N -0.302 119.723 119.914 0.185 0.000 2.427 70 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 70 V C 2.441 178.739 176.094 0.341 0.000 1.051 70 V CA 1.852 64.320 62.300 0.280 0.000 1.048 70 V CB -0.565 31.407 31.823 0.248 0.000 0.666 70 V HN 0.622 nan 8.190 nan 0.000 0.456 71 L N -0.360 120.987 121.223 0.208 0.000 1.976 71 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 71 L C 2.260 179.137 176.870 0.011 0.000 1.071 71 L CA 2.159 57.075 54.840 0.128 0.000 0.746 71 L CB -0.907 41.071 42.059 -0.135 0.000 0.890 71 L HN 0.370 nan 8.230 nan 0.000 0.432 72 Y N -1.014 119.347 120.300 0.101 0.000 2.274 72 Y HA -0.241 4.309 4.550 -0.000 0.000 0.290 72 Y C 2.498 178.484 175.900 0.142 0.000 1.145 72 Y CA 1.239 59.375 58.100 0.060 0.000 1.203 72 Y CB -0.159 38.392 38.460 0.152 0.000 0.984 72 Y HN 0.208 nan 8.280 nan 0.000 0.533 73 L N -0.745 120.682 121.223 0.339 0.000 2.141 73 L HA -0.251 4.089 4.340 -0.000 0.000 0.209 73 L C 2.646 179.698 176.870 0.303 0.000 1.094 73 L CA 1.308 56.340 54.840 0.321 0.000 0.763 73 L CB -0.378 41.872 42.059 0.319 0.000 0.908 73 L HN 0.435 nan 8.230 nan 0.000 0.437 74 H N -1.118 118.026 119.070 0.123 0.000 2.343 74 H HA -0.120 4.435 4.556 -0.000 0.000 0.303 74 H C 2.186 177.437 175.328 -0.127 0.000 1.068 74 H CA 1.036 57.052 56.048 -0.053 0.000 1.359 74 H CB 0.310 29.876 29.762 -0.325 0.000 1.402 74 H HN 0.170 nan 8.280 nan 0.000 0.515 75 L N 0.916 121.958 121.223 -0.302 0.000 2.012 75 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 75 L C 2.591 179.492 176.870 0.052 0.000 1.073 75 L CA 1.820 56.471 54.840 -0.315 0.000 0.748 75 L CB -1.603 40.165 42.059 -0.486 0.000 0.891 75 L HN 0.378 nan 8.230 nan 0.000 0.431 76 Y N 0.473 120.856 120.300 0.139 0.000 2.128 76 Y HA -0.324 4.226 4.550 -0.000 0.000 0.284 76 Y C 2.272 178.231 175.900 0.099 0.000 1.154 76 Y CA 2.066 60.334 58.100 0.281 0.000 1.149 76 Y CB -0.182 38.421 38.460 0.238 0.000 0.976 76 Y HN 0.269 nan 8.280 nan 0.000 0.505 77 D N -0.688 119.673 120.400 -0.064 0.000 2.218 77 D HA -0.176 4.464 4.640 -0.000 0.000 0.204 77 D C 2.210 178.329 176.300 -0.302 0.000 0.976 77 D CA 1.601 55.476 54.000 -0.208 0.000 0.853 77 D CB -0.029 40.732 40.800 -0.065 0.000 0.939 77 D HN 0.415 nan 8.370 nan 0.000 0.481 78 V N -2.465 117.187 119.914 -0.437 0.000 2.825 78 V HA 0.065 4.185 4.120 -0.000 0.000 0.246 78 V C 1.389 177.129 176.094 -0.591 0.000 1.068 78 V CA 0.983 62.912 62.300 -0.619 0.000 1.088 78 V CB -0.491 30.759 31.823 -0.955 0.000 0.733 78 V HN 0.103 nan 8.190 nan 0.000 0.468 79 F N 1.277 121.167 119.950 -0.100 0.000 2.622 79 F HA 0.590 5.117 4.527 -0.000 0.000 0.288 79 F C 2.163 177.915 175.800 -0.080 0.000 1.120 79 F CA 0.730 58.712 58.000 -0.031 0.000 1.423 79 F CB 0.416 39.495 39.000 0.132 0.000 1.127 79 F HN 0.356 nan 8.300 nan 0.000 0.588 80 G N 0.188 108.971 108.800 -0.028 0.000 2.179 80 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 80 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 80 G C 0.041 174.918 174.900 -0.038 0.000 0.977 80 G CA 0.242 45.229 45.100 -0.188 0.000 0.641 80 G HN 0.326 nan 8.290 nan 0.000 0.533 81 D N 1.350 121.787 120.400 0.061 0.000 2.346 81 D HA 0.352 4.992 4.640 -0.000 0.000 0.260 81 D C -0.748 175.586 176.300 0.057 0.000 1.252 81 D CA -1.574 52.379 54.000 -0.079 0.000 0.895 81 D CB 1.219 41.744 40.800 -0.458 0.000 1.097 81 D HN 0.194 nan 8.370 nan 0.000 0.489 82 P HA 0.065 nan 4.420 nan 0.000 0.237 82 P C 0.773 178.064 177.300 -0.015 0.000 1.178 82 P CA 0.287 63.473 63.100 0.143 0.000 0.766 82 P CB 0.234 31.982 31.700 0.079 0.000 0.876 83 A N -1.515 121.236 122.820 -0.116 0.000 2.121 83 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 83 A C 1.531 179.077 177.584 -0.063 0.000 1.154 83 A CA 1.128 53.079 52.037 -0.143 0.000 0.679 83 A CB -1.338 17.535 19.000 -0.211 0.000 0.795 83 A HN 0.091 nan 8.150 nan 0.000 0.458 84 Y N -1.347 118.977 120.300 0.040 0.000 2.269 84 Y HA 0.010 4.560 4.550 -0.000 0.000 0.294 84 Y C 2.096 177.979 175.900 -0.029 0.000 1.120 84 Y CA 0.320 58.459 58.100 0.064 0.000 1.159 84 Y CB -0.883 37.782 38.460 0.341 0.000 1.024 84 Y HN 0.264 nan 8.280 nan 0.000 0.532 85 L N 0.318 121.546 121.223 0.009 0.000 2.081 85 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 85 L C 2.148 178.951 176.870 -0.113 0.000 1.080 85 L CA 1.825 56.506 54.840 -0.265 0.000 0.754 85 L CB -0.857 40.822 42.059 -0.633 0.000 0.893 85 L HN 0.185 nan 8.230 nan 0.000 0.433 86 Q N -1.141 118.602 119.800 -0.095 0.000 1.990 86 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 86 Q C 2.225 178.172 176.000 -0.089 0.000 0.980 86 Q CA 1.125 56.878 55.803 -0.083 0.000 0.832 86 Q CB -0.698 27.982 28.738 -0.097 0.000 0.897 86 Q HN 0.329 nan 8.270 nan 0.000 0.427 87 L N 0.691 121.805 121.223 -0.181 0.000 1.991 87 L HA -0.251 4.089 4.340 -0.000 0.000 0.221 87 L C 2.413 179.216 176.870 -0.112 0.000 1.079 87 L CA 2.309 56.951 54.840 -0.330 0.000 0.778 87 L CB -1.879 39.648 42.059 -0.887 0.000 0.893 87 L HN 0.210 nan 8.230 nan 0.000 0.437 88 A N -1.347 121.508 122.820 0.059 0.000 1.903 88 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 88 A C 2.333 179.990 177.584 0.122 0.000 1.191 88 A CA 2.129 54.315 52.037 0.248 0.000 0.638 88 A CB -1.142 17.995 19.000 0.229 0.000 0.823 88 A HN 0.684 nan 8.150 nan 0.000 0.451 89 H N -0.522 118.513 119.070 -0.059 0.000 2.387 89 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 89 H C 1.994 177.250 175.328 -0.120 0.000 1.099 89 H CA 1.549 57.532 56.048 -0.109 0.000 1.315 89 H CB -0.225 29.474 29.762 -0.105 0.000 1.380 89 H HN 0.448 nan 8.280 nan 0.000 0.513 90 G N -1.766 106.895 108.800 -0.232 0.000 2.985 90 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.209 90 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.209 90 G C 0.577 175.195 174.900 -0.471 0.000 1.165 90 G CA -0.087 44.780 45.100 -0.388 0.000 0.776 90 G HN 0.357 nan 8.290 nan 0.000 0.541 91 Y N -0.645 119.586 120.300 -0.115 0.000 2.559 91 Y HA 0.181 4.731 4.550 -0.000 0.000 0.279 91 Y C 2.620 178.502 175.900 -0.030 0.000 1.117 91 Y CA -0.317 57.760 58.100 -0.038 0.000 1.263 91 Y CB -0.110 38.437 38.460 0.145 0.000 1.230 91 Y HN 0.016 nan 8.280 nan 0.000 0.528 92 V N 0.746 120.702 119.914 0.070 0.000 2.252 92 V HA -0.370 3.750 4.120 -0.000 0.000 0.249 92 V C 2.181 178.228 176.094 -0.078 0.000 1.056 92 V CA 2.232 64.512 62.300 -0.033 0.000 1.022 92 V CB -0.518 31.206 31.823 -0.165 0.000 0.641 92 V HN 0.316 nan 8.190 nan 0.000 0.445 93 K N -0.557 119.728 120.400 -0.191 0.000 2.063 93 K HA -0.273 4.047 4.320 -0.000 0.000 0.208 93 K C 2.278 178.811 176.600 -0.110 0.000 1.048 93 K CA 1.920 58.114 56.287 -0.155 0.000 0.928 93 K CB -0.215 32.134 32.500 -0.252 0.000 0.713 93 K HN 0.492 nan 8.250 nan 0.000 0.442 94 Q N 0.345 120.046 119.800 -0.165 0.000 2.364 94 Q HA -0.106 4.234 4.340 -0.000 0.000 0.207 94 Q C 1.737 177.699 176.000 -0.065 0.000 0.970 94 Q CA 1.430 57.085 55.803 -0.247 0.000 0.888 94 Q CB 0.210 28.606 28.738 -0.570 0.000 0.951 94 Q HN 0.308 nan 8.270 nan 0.000 0.469 95 S N -1.106 114.650 115.700 0.093 0.000 2.483 95 S HA 0.071 4.541 4.470 -0.000 0.000 0.221 95 S C 1.694 176.365 174.600 0.118 0.000 1.030 95 S CA -0.178 58.154 58.200 0.221 0.000 0.925 95 S CB -0.142 63.202 63.200 0.239 0.000 0.795 95 S HN 0.412 nan 8.310 nan 0.000 0.511 96 L N 1.465 122.727 121.223 0.065 0.000 2.549 96 L HA 0.101 4.441 4.340 -0.000 0.000 0.229 96 L C 0.734 177.639 176.870 0.058 0.000 1.158 96 L CA 0.747 55.623 54.840 0.060 0.000 0.842 96 L CB -0.696 41.402 42.059 0.065 0.000 0.952 96 L HN 0.445 nan 8.230 nan 0.000 0.452 97 N N -1.803 116.931 118.700 0.057 0.000 2.376 97 N HA 0.089 4.829 4.740 -0.000 0.000 0.249 97 N C 0.436 175.994 175.510 0.081 0.000 1.140 97 N CA -0.370 52.713 53.050 0.055 0.000 0.870 97 N CB 0.354 38.860 38.487 0.031 0.000 1.124 97 N HN 0.177 nan 8.380 nan 0.000 0.505 98 C N -0.070 119.286 119.300 0.093 0.000 3.911 98 C HA 0.214 4.674 4.460 -0.000 0.000 0.318 98 C C 0.476 175.511 174.990 0.076 0.000 1.643 98 C CA -0.676 58.404 59.018 0.102 0.000 1.845 98 C CB -0.490 27.338 27.740 0.148 0.000 2.981 98 C HN 0.412 nan 8.230 nan 0.000 0.656 99 L N 2.584 123.846 121.223 0.065 0.000 2.615 99 L HA 0.059 4.399 4.340 -0.000 0.000 0.271 99 L C 1.586 178.488 176.870 0.052 0.000 1.183 99 L CA 0.925 55.797 54.840 0.054 0.000 0.933 99 L CB 0.171 42.262 42.059 0.053 0.000 1.199 99 L HN 0.485 nan 8.230 nan 0.000 0.487 100 T N -1.190 113.395 114.554 0.050 0.000 3.069 100 T HA 0.024 4.374 4.350 -0.000 0.000 0.252 100 T C 0.968 175.695 174.700 0.045 0.000 1.053 100 T CA -0.451 61.678 62.100 0.049 0.000 0.964 100 T CB 0.143 69.043 68.868 0.052 0.000 1.005 100 T HN 0.626 nan 8.240 nan 0.000 0.532 101 K N 0.768 121.195 120.400 0.045 0.000 3.130 101 K HA -0.263 4.057 4.320 -0.000 0.000 0.282 101 K C 0.871 177.495 176.600 0.040 0.000 1.145 101 K CA 0.979 57.291 56.287 0.042 0.000 0.831 101 K CB -1.995 30.527 32.500 0.037 0.000 1.226 101 K HN 0.508 nan 8.250 nan 0.000 0.478 102 R N 0.324 120.854 120.500 0.050 0.000 2.087 102 R HA 0.101 4.441 4.340 -0.000 0.000 0.216 102 R C 1.205 177.548 176.300 0.071 0.000 1.114 102 R CA 0.837 56.971 56.100 0.057 0.000 1.002 102 R CB 0.253 30.592 30.300 0.066 0.000 0.903 102 R HN 0.209 nan 8.270 nan 0.000 0.445 103 S N 0.042 115.792 115.700 0.083 0.000 2.704 103 S HA 0.342 4.812 4.470 -0.000 0.000 0.305 103 S C 0.285 174.926 174.600 0.069 0.000 1.107 103 S CA -0.848 57.416 58.200 0.108 0.000 0.993 103 S CB 1.414 64.707 63.200 0.155 0.000 1.110 103 S HN 0.300 nan 8.310 nan 0.000 0.534 104 I N 1.577 122.187 120.570 0.067 0.000 4.009 104 I HA 0.305 4.475 4.170 -0.000 0.000 0.331 104 I C 0.151 176.376 176.117 0.180 0.000 1.462 104 I CA -0.154 61.178 61.300 0.052 0.000 1.117 104 I CB -0.493 37.430 38.000 -0.128 0.000 1.091 104 I HN 0.596 nan 8.210 nan 0.000 0.410 105 T N -3.061 111.564 114.554 0.119 0.000 2.945 105 T HA 0.386 4.736 4.350 -0.000 0.000 0.286 105 T C 0.643 175.405 174.700 0.103 0.000 1.025 105 T CA -0.519 61.658 62.100 0.128 0.000 1.039 105 T CB 1.910 70.778 68.868 0.001 0.000 1.068 105 T HN 0.121 nan 8.240 nan 0.000 0.497 106 F N 0.730 120.664 119.950 -0.026 0.000 2.069 106 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 106 F C 1.985 177.715 175.800 -0.117 0.000 1.113 106 F CA 1.468 59.413 58.000 -0.091 0.000 1.214 106 F CB -0.287 38.660 39.000 -0.089 0.000 0.978 106 F HN 0.512 nan 8.300 nan 0.000 0.474 107 L N -1.378 119.889 121.223 0.074 0.000 2.109 107 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 107 L C 1.697 178.448 176.870 -0.198 0.000 1.086 107 L CA 1.024 55.799 54.840 -0.109 0.000 0.760 107 L CB -0.220 41.699 42.059 -0.234 0.000 0.910 107 L HN 0.303 nan 8.230 nan 0.000 0.437 108 C N -1.618 117.545 119.300 -0.229 0.000 3.642 108 C HA 0.457 4.917 4.460 -0.000 0.000 0.305 108 C C 1.122 176.056 174.990 -0.094 0.000 1.492 108 C CA -0.376 58.503 59.018 -0.232 0.000 1.809 108 C CB -0.207 27.223 27.740 -0.517 0.000 2.639 108 C HN 0.493 nan 8.230 nan 0.000 0.672 109 G N 0.042 108.804 108.800 -0.063 0.000 3.209 109 G HA2 0.395 4.355 3.960 -0.000 0.000 0.236 109 G HA3 0.395 4.355 3.960 -0.000 0.000 0.236 109 G C -0.321 174.574 174.900 -0.009 0.000 1.329 109 G CA 0.008 45.107 45.100 -0.000 0.000 1.015 109 G HN 0.037 nan 8.290 nan 0.000 0.571 110 D N -0.045 120.371 120.400 0.027 0.000 2.351 110 D HA 0.012 4.652 4.640 -0.000 0.000 0.216 110 D C 2.348 178.664 176.300 0.027 0.000 0.968 110 D CA 1.094 55.111 54.000 0.030 0.000 0.899 110 D CB 0.034 40.866 40.800 0.053 0.000 0.907 110 D HN 0.348 nan 8.370 nan 0.000 0.514 111 A N 0.163 123.012 122.820 0.049 0.000 2.119 111 A HA 0.206 4.526 4.320 -0.000 0.000 0.216 111 A C 2.182 179.705 177.584 -0.103 0.000 1.152 111 A CA 1.257 53.338 52.037 0.073 0.000 0.708 111 A CB -0.459 18.675 19.000 0.224 0.000 0.805 111 A HN 0.273 nan 8.150 nan 0.000 0.460 112 G N 0.647 109.282 108.800 -0.275 0.000 2.496 112 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.214 112 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.214 112 G C -0.294 174.316 174.900 -0.483 0.000 1.234 112 G CA 1.032 45.701 45.100 -0.719 0.000 0.807 112 G HN 0.400 nan 8.290 nan 0.000 0.543 113 P HA -0.128 nan 4.420 nan 0.000 0.217 113 P C 1.940 179.211 177.300 -0.047 0.000 1.158 113 P CA 0.954 63.992 63.100 -0.102 0.000 0.887 113 P CB -0.057 31.627 31.700 -0.028 0.000 0.792 114 L N -1.204 120.008 121.223 -0.018 0.000 2.072 114 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 114 L C 2.468 179.389 176.870 0.086 0.000 1.079 114 L CA 2.014 56.886 54.840 0.054 0.000 0.752 114 L CB -1.991 40.113 42.059 0.075 0.000 0.906 114 L HN -0.097 nan 8.230 nan 0.000 0.436 115 A N -1.201 121.653 122.820 0.056 0.000 1.897 115 A HA -0.087 4.232 4.320 -0.000 0.000 0.215 115 A C 2.376 180.104 177.584 0.240 0.000 1.181 115 A CA 1.549 53.691 52.037 0.175 0.000 0.620 115 A CB -0.775 18.352 19.000 0.212 0.000 0.821 115 A HN 0.179 nan 8.150 nan 0.000 0.443 116 V N 0.023 119.962 119.914 0.040 0.000 2.223 116 V HA -0.258 3.862 4.120 -0.000 0.000 0.244 116 V C 3.088 179.260 176.094 0.131 0.000 1.045 116 V CA 2.007 64.377 62.300 0.117 0.000 1.000 116 V CB -1.447 30.346 31.823 -0.050 0.000 0.635 116 V HN 0.614 nan 8.190 nan 0.000 0.445 117 A N 0.199 123.042 122.820 0.037 0.000 1.929 117 A HA -0.342 3.978 4.320 -0.000 0.000 0.221 117 A C 2.421 180.076 177.584 0.118 0.000 1.211 117 A CA 3.136 55.151 52.037 -0.037 0.000 0.657 117 A CB -1.159 17.874 19.000 0.054 0.000 0.827 117 A HN 0.708 nan 8.150 nan 0.000 0.462 118 A N -0.590 122.389 122.820 0.266 0.000 1.908 118 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 118 A C 2.432 180.292 177.584 0.460 0.000 1.181 118 A CA 2.668 54.942 52.037 0.396 0.000 0.627 118 A CB -1.244 17.969 19.000 0.356 0.000 0.818 118 A HN 1.388 nan 8.150 nan 0.000 0.445 119 V N -1.529 118.584 119.914 0.332 0.000 2.591 119 V HA -0.078 4.042 4.120 -0.000 0.000 0.249 119 V C 2.225 178.382 176.094 0.104 0.000 1.053 119 V CA 1.779 64.136 62.300 0.095 0.000 1.068 119 V CB -0.650 31.162 31.823 -0.019 0.000 0.689 119 V HN 0.455 nan 8.190 nan 0.000 0.462 120 L N -0.340 120.940 121.223 0.095 0.000 2.017 120 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 120 L C 2.594 179.489 176.870 0.042 0.000 1.073 120 L CA 2.366 57.211 54.840 0.008 0.000 0.745 120 L CB -0.542 41.460 42.059 -0.095 0.000 0.894 120 L HN 0.373 nan 8.230 nan 0.000 0.432 121 Y N -1.271 119.134 120.300 0.174 0.000 2.207 121 Y HA -0.342 4.208 4.550 -0.000 0.000 0.287 121 Y C 2.766 178.758 175.900 0.153 0.000 1.156 121 Y CA 1.532 59.727 58.100 0.159 0.000 1.182 121 Y CB -0.431 38.133 38.460 0.173 0.000 0.979 121 Y HN 0.403 nan 8.280 nan 0.000 0.521 122 H N 1.138 120.360 119.070 0.254 0.000 2.353 122 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 122 H C 1.358 176.715 175.328 0.048 0.000 1.090 122 H CA 1.308 57.453 56.048 0.162 0.000 1.327 122 H CB 0.053 29.844 29.762 0.048 0.000 1.383 122 H HN 0.239 nan 8.280 nan 0.000 0.508 123 K N 0.145 120.534 120.400 -0.019 0.000 2.611 123 K HA -0.016 4.304 4.320 -0.000 0.000 0.193 123 K C 0.481 177.033 176.600 -0.080 0.000 1.026 123 K CA 0.345 56.580 56.287 -0.086 0.000 1.063 123 K CB 0.166 32.646 32.500 -0.033 0.000 0.839 123 K HN 0.411 nan 8.250 nan 0.000 0.505 124 M N 0.385 119.962 119.600 -0.037 0.000 3.017 124 M HA 0.103 4.583 4.480 -0.000 0.000 0.423 124 M C -0.590 175.704 176.300 -0.011 0.000 1.395 124 M CA -0.145 55.139 55.300 -0.028 0.000 0.816 124 M CB 0.771 33.370 32.600 -0.002 0.000 1.440 124 M HN 0.024 nan 8.290 nan 0.000 0.506 125 N N 1.993 120.665 118.700 -0.046 0.000 2.693 125 N HA -0.207 4.533 4.740 -0.000 0.000 0.250 125 N C -0.271 175.249 175.510 0.017 0.000 1.033 125 N CA 0.731 53.764 53.050 -0.030 0.000 0.747 125 N CB -1.097 37.368 38.487 -0.038 0.000 0.964 125 N HN 0.473 nan 8.380 nan 0.000 0.540 126 N N 1.222 119.960 118.700 0.063 0.000 3.228 126 N HA 0.067 4.807 4.740 -0.000 0.000 0.289 126 N C 0.711 176.268 175.510 0.078 0.000 1.419 126 N CA -0.253 52.830 53.050 0.053 0.000 1.088 126 N CB 0.485 39.016 38.487 0.073 0.000 1.357 126 N HN 0.039 nan 8.380 nan 0.000 0.504 127 E N 0.603 120.848 120.200 0.076 0.000 2.268 127 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 127 E C 1.505 178.135 176.600 0.050 0.000 0.995 127 E CA 0.637 57.099 56.400 0.103 0.000 0.836 127 E CB 0.260 30.016 29.700 0.093 0.000 0.763 127 E HN 0.511 nan 8.360 nan 0.000 0.491 128 K N 1.363 121.763 120.400 0.001 0.000 2.001 128 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 128 K C 2.085 178.648 176.600 -0.062 0.000 1.048 128 K CA 1.524 57.792 56.287 -0.031 0.000 0.932 128 K CB -0.361 32.110 32.500 -0.048 0.000 0.715 128 K HN -0.114 nan 8.250 nan 0.000 0.437 129 Q N -0.119 119.592 119.800 -0.148 0.000 2.083 129 Q HA 0.192 4.532 4.340 -0.000 0.000 0.198 129 Q C 1.933 177.901 176.000 -0.053 0.000 0.969 129 Q CA 1.780 57.412 55.803 -0.286 0.000 0.838 129 Q CB -0.454 27.735 28.738 -0.914 0.000 0.900 129 Q HN 0.449 nan 8.270 nan 0.000 0.436 130 A N 0.446 123.330 122.820 0.107 0.000 1.841 130 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 130 A C 2.027 179.702 177.584 0.150 0.000 1.199 130 A CA 1.919 54.126 52.037 0.284 0.000 0.621 130 A CB -0.952 18.284 19.000 0.392 0.000 0.835 130 A HN 0.390 nan 8.150 nan 0.000 0.445 131 E N 0.082 120.326 120.200 0.073 0.000 2.219 131 E HA -0.224 4.126 4.350 -0.000 0.000 0.198 131 E C 1.483 178.081 176.600 -0.004 0.000 0.998 131 E CA 1.628 58.028 56.400 -0.000 0.000 0.818 131 E CB -0.444 29.251 29.700 -0.008 0.000 0.741 131 E HN 0.677 nan 8.360 nan 0.000 0.477 132 D N -1.515 118.892 120.400 0.012 0.000 2.078 132 D HA -0.167 4.473 4.640 -0.000 0.000 0.193 132 D C 1.785 178.102 176.300 0.027 0.000 0.990 132 D CA 1.812 55.816 54.000 0.008 0.000 0.827 132 D CB -0.159 40.639 40.800 -0.004 0.000 0.975 132 D HN 0.274 nan 8.370 nan 0.000 0.451 133 C N 0.048 119.395 119.300 0.079 0.000 2.401 133 C HA -0.133 4.327 4.460 -0.000 0.000 0.276 133 C C 2.706 177.729 174.990 0.054 0.000 1.233 133 C CA 0.245 59.323 59.018 0.101 0.000 1.753 133 C CB -1.086 26.764 27.740 0.184 0.000 2.029 133 C HN 0.423 nan 8.230 nan 0.000 0.478 134 I N 1.056 121.642 120.570 0.027 0.000 2.151 134 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 134 I C 2.500 178.573 176.117 -0.075 0.000 1.080 134 I CA 2.161 63.442 61.300 -0.031 0.000 1.339 134 I CB -0.660 37.279 38.000 -0.102 0.000 1.039 134 I HN 0.437 nan 8.210 nan 0.000 0.409 135 T N -0.400 114.092 114.554 -0.103 0.000 2.777 135 T HA -0.205 4.145 4.350 -0.000 0.000 0.266 135 T C 1.938 176.474 174.700 -0.273 0.000 1.040 135 T CA 1.133 63.104 62.100 -0.216 0.000 1.141 135 T CB -0.358 68.404 68.868 -0.177 0.000 0.868 135 T HN 0.281 nan 8.240 nan 0.000 0.444 136 R N 0.527 120.965 120.500 -0.104 0.000 2.148 136 R HA 0.069 4.409 4.340 -0.000 0.000 0.227 136 R C 2.225 178.540 176.300 0.026 0.000 1.103 136 R CA 0.650 56.734 56.100 -0.027 0.000 0.983 136 R CB -0.401 29.921 30.300 0.036 0.000 0.874 136 R HN 0.320 nan 8.270 nan 0.000 0.451 137 L N 0.190 121.434 121.223 0.035 0.000 2.179 137 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 137 L C 1.715 178.711 176.870 0.210 0.000 1.096 137 L CA 1.401 56.318 54.840 0.128 0.000 0.779 137 L CB -0.012 42.109 42.059 0.103 0.000 0.922 137 L HN 0.192 nan 8.230 nan 0.000 0.443 138 I N -1.064 119.549 120.570 0.071 0.000 2.233 138 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 138 I C 1.980 178.207 176.117 0.183 0.000 1.093 138 I CA 0.735 62.097 61.300 0.103 0.000 1.380 138 I CB -0.541 37.361 38.000 -0.163 0.000 1.067 138 I HN 0.283 nan 8.210 nan 0.000 0.413 139 H N 0.138 119.250 119.070 0.071 0.000 2.561 139 H HA -0.034 4.522 4.556 -0.000 0.000 0.278 139 H C 1.855 177.211 175.328 0.047 0.000 1.014 139 H CA 0.640 56.713 56.048 0.042 0.000 1.211 139 H CB -0.172 29.603 29.762 0.021 0.000 1.365 139 H HN 0.212 nan 8.280 nan 0.000 0.594 140 L N 1.999 123.337 121.223 0.192 0.000 2.275 140 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 140 L C 2.039 178.851 176.870 -0.097 0.000 1.119 140 L CA 0.997 55.894 54.840 0.094 0.000 0.790 140 L CB -0.356 41.807 42.059 0.175 0.000 0.919 140 L HN 0.336 nan 8.230 nan 0.000 0.443 141 N N -0.530 118.058 118.700 -0.186 0.000 2.381 141 N HA -0.227 4.513 4.740 -0.000 0.000 0.182 141 N C 1.531 176.939 175.510 -0.170 0.000 1.025 141 N CA 1.257 54.050 53.050 -0.428 0.000 0.888 141 N CB -0.284 37.980 38.487 -0.372 0.000 0.965 141 N HN 0.368 nan 8.380 nan 0.000 0.438 142 K N 0.851 121.218 120.400 -0.056 0.000 2.148 142 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 142 K C 2.043 178.608 176.600 -0.057 0.000 1.050 142 K CA 1.224 57.485 56.287 -0.043 0.000 0.942 142 K CB -0.368 32.121 32.500 -0.018 0.000 0.724 142 K HN 0.409 nan 8.250 nan 0.000 0.446 143 I N -0.917 119.625 120.570 -0.047 0.000 2.953 143 I HA -0.102 4.068 4.170 -0.000 0.000 0.271 143 I C 0.046 176.137 176.117 -0.044 0.000 1.286 143 I CA 0.941 62.221 61.300 -0.033 0.000 1.449 143 I CB -0.041 37.954 38.000 -0.009 0.000 1.086 143 I HN -0.073 nan 8.210 nan 0.000 0.483 144 D N 0.609 120.965 120.400 -0.073 0.000 2.736 144 D HA 0.280 4.920 4.640 -0.000 0.000 0.243 144 D C -2.001 174.214 176.300 -0.141 0.000 1.304 144 D CA -1.546 52.408 54.000 -0.076 0.000 0.934 144 D CB 2.313 43.093 40.800 -0.033 0.000 1.382 144 D HN -0.140 nan 8.370 nan 0.000 0.571 145 P HA 0.015 nan 4.420 nan 0.000 0.215 145 P C 0.036 177.028 177.300 -0.514 0.000 1.157 145 P CA 0.997 63.797 63.100 -0.499 0.000 0.856 145 P CB 0.245 31.437 31.700 -0.848 0.000 0.786 146 H N -0.900 118.187 119.070 0.027 0.000 2.336 146 H HA 0.635 5.191 4.556 -0.000 0.000 0.230 146 H C -0.132 175.230 175.328 0.057 0.000 1.426 146 H CA -0.975 55.097 56.048 0.040 0.000 1.359 146 H CB 0.217 29.999 29.762 0.033 0.000 1.555 146 H HN 0.052 nan 8.280 nan 0.000 0.512 147 A N 2.656 125.542 122.820 0.110 0.000 2.304 147 A HA 0.505 4.825 4.320 -0.000 0.000 0.271 147 A C -1.958 175.726 177.584 0.166 0.000 1.091 147 A CA -1.237 50.873 52.037 0.122 0.000 0.812 147 A CB 0.403 19.447 19.000 0.074 0.000 1.056 147 A HN 0.236 nan 8.150 nan 0.000 0.489 148 P HA 0.147 nan 4.420 nan 0.000 0.274 148 P C 0.209 177.612 177.300 0.172 0.000 1.264 148 P CA -0.361 62.895 63.100 0.259 0.000 0.795 148 P CB 0.456 32.413 31.700 0.428 0.000 1.064 149 N N -0.929 117.858 118.700 0.145 0.000 2.220 149 N HA 0.017 4.757 4.740 -0.000 0.000 0.195 149 N C 0.330 175.778 175.510 -0.102 0.000 1.123 149 N CA 0.272 53.334 53.050 0.020 0.000 0.874 149 N CB 0.416 38.887 38.487 -0.027 0.000 0.995 149 N HN 0.549 nan 8.380 nan 0.000 0.498 150 E N -0.054 120.096 120.200 -0.083 0.000 3.099 150 E HA 0.198 4.548 4.350 -0.000 0.000 0.259 150 E C 1.155 177.620 176.600 -0.224 0.000 1.274 150 E CA -0.529 55.758 56.400 -0.189 0.000 1.111 150 E CB 0.281 29.869 29.700 -0.187 0.000 1.327 150 E HN -0.263 nan 8.360 nan 0.000 0.652 151 M N -0.428 118.996 119.600 -0.293 0.000 2.098 151 M HA 0.141 4.621 4.480 -0.000 0.000 0.262 151 M C 1.539 177.653 176.300 -0.309 0.000 1.072 151 M CA 1.611 56.747 55.300 -0.273 0.000 1.133 151 M CB -0.367 32.112 32.600 -0.202 0.000 1.344 151 M HN 0.594 nan 8.290 nan 0.000 0.414 152 L N -2.111 118.823 121.223 -0.482 0.000 2.156 152 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 152 L C 1.139 177.527 176.870 -0.803 0.000 1.095 152 L CA 1.154 55.573 54.840 -0.701 0.000 0.770 152 L CB -0.398 41.085 42.059 -0.960 0.000 0.914 152 L HN 0.355 nan 8.230 nan 0.000 0.439 153 Y N -1.447 118.725 120.300 -0.212 0.000 2.540 153 Y HA 0.321 4.871 4.550 -0.000 0.000 0.257 153 Y C 1.307 177.202 175.900 -0.009 0.000 1.090 153 Y CA -0.240 57.822 58.100 -0.064 0.000 1.242 153 Y CB 0.513 39.005 38.460 0.052 0.000 1.325 153 Y HN -0.034 nan 8.280 nan 0.000 0.544 154 G N -0.001 108.835 108.800 0.060 0.000 2.702 154 G HA2 0.270 4.230 3.960 -0.000 0.000 0.254 154 G HA3 0.270 4.230 3.960 -0.000 0.000 0.254 154 G C 0.649 175.576 174.900 0.044 0.000 1.380 154 G CA -0.581 44.560 45.100 0.068 0.000 1.042 154 G HN 0.009 nan 8.290 nan 0.000 0.557 155 R N -0.685 119.837 120.500 0.038 0.000 2.092 155 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 155 R C 2.540 178.872 176.300 0.054 0.000 1.119 155 R CA 1.518 57.661 56.100 0.071 0.000 0.970 155 R CB -0.504 29.834 30.300 0.065 0.000 0.864 155 R HN 0.659 nan 8.270 nan 0.000 0.440 156 I N -2.265 118.255 120.570 -0.083 0.000 2.315 156 I HA 0.020 4.190 4.170 -0.000 0.000 0.248 156 I C 2.209 178.210 176.117 -0.193 0.000 1.117 156 I CA 1.666 62.831 61.300 -0.225 0.000 1.404 156 I CB -0.957 36.726 38.000 -0.528 0.000 1.071 156 I HN -0.008 nan 8.210 nan 0.000 0.419 157 G N 0.457 109.182 108.800 -0.125 0.000 2.507 157 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.221 157 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.221 157 G C 1.632 176.616 174.900 0.140 0.000 1.119 157 G CA 1.366 46.458 45.100 -0.014 0.000 0.751 157 G HN 0.652 nan 8.290 nan 0.000 0.574 158 Y N 0.702 121.013 120.300 0.018 0.000 2.201 158 Y HA 0.098 4.648 4.550 -0.000 0.000 0.292 158 Y C 2.701 178.644 175.900 0.073 0.000 1.119 158 Y CA 0.877 59.010 58.100 0.055 0.000 1.127 158 Y CB -0.056 38.427 38.460 0.037 0.000 1.019 158 Y HN 0.118 nan 8.280 nan 0.000 0.514 159 I N 0.012 120.584 120.570 0.004 0.000 2.143 159 I HA -0.454 3.716 4.170 -0.000 0.000 0.245 159 I C 2.306 178.452 176.117 0.048 0.000 1.068 159 I CA 2.279 63.556 61.300 -0.038 0.000 1.326 159 I CB -0.784 37.280 38.000 0.107 0.000 1.028 159 I HN 0.418 nan 8.210 nan 0.000 0.412 160 Y N 1.516 121.825 120.300 0.014 0.000 2.053 160 Y HA -0.409 4.141 4.550 -0.000 0.000 0.277 160 Y C 2.668 178.518 175.900 -0.082 0.000 1.159 160 Y CA 1.794 59.898 58.100 0.006 0.000 1.125 160 Y CB -0.271 38.158 38.460 -0.051 0.000 0.969 160 Y HN 0.189 nan 8.280 nan 0.000 0.492 161 A N 0.648 123.317 122.820 -0.252 0.000 1.915 161 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 161 A C 2.036 179.550 177.584 -0.116 0.000 1.198 161 A CA 2.225 54.185 52.037 -0.128 0.000 0.647 161 A CB -1.149 17.890 19.000 0.065 0.000 0.825 161 A HN 0.529 nan 8.150 nan 0.000 0.456 162 L N -0.785 120.312 121.223 -0.210 0.000 1.994 162 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 162 L C 2.650 179.489 176.870 -0.051 0.000 1.071 162 L CA 1.681 56.433 54.840 -0.146 0.000 0.745 162 L CB -1.738 40.192 42.059 -0.215 0.000 0.892 162 L HN 0.405 nan 8.230 nan 0.000 0.431 163 L N -1.659 119.537 121.223 -0.045 0.000 2.083 163 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 163 L C 2.578 179.433 176.870 -0.025 0.000 1.083 163 L CA 0.985 55.817 54.840 -0.013 0.000 0.752 163 L CB -0.591 41.492 42.059 0.041 0.000 0.899 163 L HN 0.132 nan 8.230 nan 0.000 0.433 164 F N 0.226 119.996 119.950 -0.301 0.000 2.095 164 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 164 F C 2.243 177.986 175.800 -0.094 0.000 1.104 164 F CA 1.684 59.474 58.000 -0.351 0.000 1.232 164 F CB -0.286 38.226 39.000 -0.812 0.000 0.987 164 F HN -0.256 nan 8.300 nan 0.000 0.475 165 V N 0.896 120.936 119.914 0.210 0.000 2.223 165 V HA -0.363 3.757 4.120 -0.000 0.000 0.244 165 V C 2.223 178.455 176.094 0.231 0.000 1.045 165 V CA 2.346 64.811 62.300 0.275 0.000 1.000 165 V CB -0.896 31.080 31.823 0.255 0.000 0.635 165 V HN 0.337 nan 8.190 nan 0.000 0.445 166 N N -0.048 118.708 118.700 0.095 0.000 2.132 166 N HA -0.229 4.511 4.740 -0.000 0.000 0.191 166 N C 1.699 177.229 175.510 0.032 0.000 1.015 166 N CA 1.689 54.773 53.050 0.057 0.000 0.864 166 N CB -0.400 38.088 38.487 0.002 0.000 1.006 166 N HN 0.428 nan 8.380 nan 0.000 0.430 167 K N 0.996 121.368 120.400 -0.048 0.000 1.973 167 K HA 0.039 4.359 4.320 -0.000 0.000 0.210 167 K C 1.223 177.744 176.600 -0.130 0.000 1.045 167 K CA 1.405 57.632 56.287 -0.101 0.000 0.937 167 K CB -0.398 32.007 32.500 -0.159 0.000 0.721 167 K HN 0.098 nan 8.250 nan 0.000 0.438 168 N N -0.587 117.963 118.700 -0.251 0.000 2.520 168 N HA -0.006 4.734 4.740 -0.000 0.000 0.185 168 N C -0.561 174.691 175.510 -0.428 0.000 1.068 168 N CA 0.538 53.390 53.050 -0.330 0.000 0.911 168 N CB -0.028 38.177 38.487 -0.471 0.000 0.961 168 N HN 0.070 nan 8.380 nan 0.000 0.446 169 F N -0.494 119.342 119.950 -0.190 0.000 2.405 169 F HA 0.339 4.866 4.527 -0.000 0.000 0.355 169 F C 1.789 177.524 175.800 -0.109 0.000 1.121 169 F CA -0.981 56.886 58.000 -0.222 0.000 1.112 169 F CB 1.199 40.031 39.000 -0.281 0.000 1.126 169 F HN -0.070 nan 8.300 nan 0.000 0.481 170 G N 2.456 111.304 108.800 0.079 0.000 2.499 170 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.221 170 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.221 170 G C 0.454 175.388 174.900 0.057 0.000 1.109 170 G CA 0.564 45.697 45.100 0.056 0.000 0.749 170 G HN 0.396 nan 8.290 nan 0.000 0.568 171 V N -0.231 119.733 119.914 0.083 0.000 2.630 171 V HA 0.263 4.383 4.120 -0.000 0.000 0.305 171 V C 0.096 176.201 176.094 0.017 0.000 1.046 171 V CA -1.062 61.263 62.300 0.041 0.000 0.934 171 V CB 2.085 33.929 31.823 0.035 0.000 1.003 171 V HN 0.312 nan 8.190 nan 0.000 0.451 172 E N 3.913 124.109 120.200 -0.006 0.000 2.059 172 E HA 0.023 4.373 4.350 -0.000 0.000 0.262 172 E C 0.494 177.058 176.600 -0.060 0.000 1.230 172 E CA -0.191 56.195 56.400 -0.023 0.000 0.951 172 E CB 0.339 30.029 29.700 -0.017 0.000 1.038 172 E HN 0.433 nan 8.360 nan 0.000 0.425 173 K N 3.066 123.399 120.400 -0.110 0.000 2.098 173 K HA 0.112 4.432 4.320 -0.000 0.000 0.203 173 K C 0.664 177.181 176.600 -0.139 0.000 1.051 173 K CA 0.595 56.757 56.287 -0.208 0.000 0.957 173 K CB 0.198 32.408 32.500 -0.483 0.000 0.738 173 K HN 0.520 nan 8.250 nan 0.000 0.447 174 I N 4.000 124.519 120.570 -0.086 0.000 2.331 174 I HA 0.111 4.281 4.170 -0.000 0.000 0.292 174 I C -2.212 173.911 176.117 0.010 0.000 0.998 174 I CA -2.369 58.915 61.300 -0.026 0.000 1.267 174 I CB 1.489 39.493 38.000 0.006 0.000 1.386 174 I HN -0.081 nan 8.210 nan 0.000 0.476 175 P HA -0.021 nan 4.420 nan 0.000 0.267 175 P C 0.084 177.421 177.300 0.061 0.000 1.205 175 P CA -0.153 62.971 63.100 0.038 0.000 0.765 175 P CB 1.031 32.755 31.700 0.040 0.000 0.828 176 Q N 3.901 123.721 119.800 0.032 0.000 2.156 176 Q HA -0.238 4.102 4.340 -0.000 0.000 0.211 176 Q C 1.981 178.007 176.000 0.042 0.000 0.995 176 Q CA 2.911 58.729 55.803 0.025 0.000 0.877 176 Q CB -1.155 27.590 28.738 0.012 0.000 0.920 176 Q HN 0.598 nan 8.270 nan 0.000 0.416 177 S N -1.142 114.594 115.700 0.060 0.000 2.368 177 S HA -0.214 4.256 4.470 -0.000 0.000 0.225 177 S C 2.013 176.682 174.600 0.114 0.000 1.030 177 S CA 1.287 59.530 58.200 0.073 0.000 0.999 177 S CB -0.885 62.357 63.200 0.070 0.000 0.844 177 S HN 0.669 nan 8.310 nan 0.000 0.459 178 H N 1.337 120.429 119.070 0.038 0.000 2.421 178 H HA 0.006 4.562 4.556 -0.000 0.000 0.298 178 H C 1.872 177.243 175.328 0.072 0.000 1.087 178 H CA 1.602 57.686 56.048 0.061 0.000 1.330 178 H CB -0.108 29.692 29.762 0.063 0.000 1.388 178 H HN 0.457 nan 8.280 nan 0.000 0.526 179 I N 1.011 121.558 120.570 -0.039 0.000 2.141 179 I HA -0.300 3.870 4.170 -0.000 0.000 0.236 179 I C 2.939 179.036 176.117 -0.034 0.000 1.071 179 I CA 1.426 62.675 61.300 -0.085 0.000 1.345 179 I CB -0.458 37.517 38.000 -0.042 0.000 1.066 179 I HN 0.337 nan 8.210 nan 0.000 0.406 180 Q N 1.516 121.316 119.800 0.001 0.000 2.234 180 Q HA -0.303 4.037 4.340 -0.000 0.000 0.206 180 Q C 1.948 177.964 176.000 0.027 0.000 0.980 180 Q CA 1.973 57.785 55.803 0.014 0.000 0.869 180 Q CB -0.362 28.387 28.738 0.018 0.000 0.912 180 Q HN 0.643 nan 8.270 nan 0.000 0.436 181 Q N 0.642 120.462 119.800 0.032 0.000 2.163 181 Q HA -0.075 4.265 4.340 -0.000 0.000 0.198 181 Q C 2.062 178.087 176.000 0.042 0.000 0.954 181 Q CA 1.218 57.050 55.803 0.048 0.000 0.851 181 Q CB -0.553 28.229 28.738 0.074 0.000 0.928 181 Q HN 0.456 nan 8.270 nan 0.000 0.459 182 I N 0.519 121.096 120.570 0.011 0.000 2.361 182 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 182 I C 1.924 178.070 176.117 0.049 0.000 1.133 182 I CA 1.183 62.498 61.300 0.025 0.000 1.413 182 I CB -0.820 37.181 38.000 0.001 0.000 1.073 182 I HN 0.604 nan 8.210 nan 0.000 0.424 183 C N 1.470 120.795 119.300 0.041 0.000 2.429 183 C HA -0.183 4.277 4.460 -0.000 0.000 0.277 183 C C 2.562 177.596 174.990 0.072 0.000 1.262 183 C CA 1.436 60.487 59.018 0.056 0.000 1.733 183 C CB -1.080 26.684 27.740 0.040 0.000 2.010 183 C HN 0.535 nan 8.230 nan 0.000 0.483 184 E N -0.109 120.130 120.200 0.065 0.000 2.153 184 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 184 E C 2.268 178.919 176.600 0.085 0.000 0.988 184 E CA 1.801 58.244 56.400 0.072 0.000 0.811 184 E CB -0.123 29.613 29.700 0.060 0.000 0.746 184 E HN 0.879 nan 8.360 nan 0.000 0.466 185 T N -0.210 114.394 114.554 0.084 0.000 3.023 185 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 185 T C 1.879 176.656 174.700 0.127 0.000 1.093 185 T CA 0.410 62.567 62.100 0.094 0.000 1.129 185 T CB -0.004 68.914 68.868 0.083 0.000 0.899 185 T HN 0.125 nan 8.240 nan 0.000 0.491 186 I N 0.432 121.085 120.570 0.138 0.000 2.500 186 I HA 0.090 4.260 4.170 -0.000 0.000 0.252 186 I C 1.983 178.278 176.117 0.297 0.000 1.142 186 I CA 0.900 62.322 61.300 0.203 0.000 1.451 186 I CB -0.821 37.252 38.000 0.122 0.000 1.093 186 I HN 0.321 nan 8.210 nan 0.000 0.430 187 L N 1.075 122.426 121.223 0.213 0.000 2.017 187 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 187 L C 2.741 179.700 176.870 0.148 0.000 1.073 187 L CA 2.244 57.207 54.840 0.205 0.000 0.745 187 L CB -0.961 41.182 42.059 0.140 0.000 0.894 187 L HN 0.360 nan 8.230 nan 0.000 0.432 188 T N -4.861 109.762 114.554 0.115 0.000 2.951 188 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 188 T C 2.002 176.741 174.700 0.066 0.000 1.073 188 T CA 1.198 63.344 62.100 0.077 0.000 1.134 188 T CB -0.216 68.693 68.868 0.068 0.000 0.884 188 T HN 0.196 nan 8.240 nan 0.000 0.479 189 S N 0.859 116.620 115.700 0.103 0.000 2.428 189 S HA 0.132 4.602 4.470 -0.000 0.000 0.230 189 S C 2.234 176.810 174.600 -0.039 0.000 1.014 189 S CA 1.096 59.347 58.200 0.086 0.000 0.957 189 S CB -0.994 62.313 63.200 0.177 0.000 0.784 189 S HN 0.729 nan 8.310 nan 0.000 0.499 190 G N 1.250 110.008 108.800 -0.070 0.000 2.408 190 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.215 190 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.215 190 G C 1.211 175.922 174.900 -0.316 0.000 1.156 190 G CA 0.706 45.464 45.100 -0.569 0.000 0.793 190 G HN 0.779 nan 8.290 nan 0.000 0.535 191 E N 0.025 120.165 120.200 -0.099 0.000 2.479 191 E HA 0.130 4.480 4.350 -0.000 0.000 0.193 191 E C 1.550 178.129 176.600 -0.036 0.000 1.049 191 E CA 0.036 56.405 56.400 -0.051 0.000 0.870 191 E CB -0.207 29.492 29.700 -0.000 0.000 0.944 191 E HN 0.480 nan 8.360 nan 0.000 0.492 192 N N 0.946 119.623 118.700 -0.038 0.000 2.197 192 N HA -0.011 4.729 4.740 -0.000 0.000 0.184 192 N C 1.832 177.332 175.510 -0.016 0.000 1.030 192 N CA 0.281 53.323 53.050 -0.014 0.000 0.851 192 N CB 0.073 38.562 38.487 0.003 0.000 1.003 192 N HN 0.071 nan 8.380 nan 0.000 0.430 193 L N 1.689 122.883 121.223 -0.048 0.000 2.042 193 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 193 L C 2.361 179.234 176.870 0.005 0.000 1.076 193 L CA 1.423 56.251 54.840 -0.020 0.000 0.749 193 L CB -0.914 41.106 42.059 -0.064 0.000 0.893 193 L HN 0.153 nan 8.230 nan 0.000 0.432 194 A N -0.303 122.483 122.820 -0.056 0.000 1.917 194 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 194 A C 2.445 180.071 177.584 0.070 0.000 1.182 194 A CA 1.996 54.035 52.037 0.004 0.000 0.633 194 A CB -0.567 18.408 19.000 -0.041 0.000 0.819 194 A HN 0.441 nan 8.150 nan 0.000 0.448 195 R N -0.435 120.084 120.500 0.032 0.000 2.060 195 R HA -0.064 4.276 4.340 -0.000 0.000 0.225 195 R C 2.172 178.496 176.300 0.040 0.000 1.155 195 R CA 1.412 57.529 56.100 0.029 0.000 0.930 195 R CB -0.332 29.976 30.300 0.014 0.000 0.829 195 R HN 0.469 nan 8.270 nan 0.000 0.433 196 K N -0.038 120.385 120.400 0.039 0.000 2.163 196 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 196 K C 1.865 178.507 176.600 0.071 0.000 1.048 196 K CA 1.445 57.759 56.287 0.045 0.000 0.928 196 K CB -0.101 32.425 32.500 0.043 0.000 0.716 196 K HN 0.139 nan 8.250 nan 0.000 0.459 197 R N 0.555 121.129 120.500 0.123 0.000 2.334 197 R HA 0.027 4.367 4.340 -0.000 0.000 0.216 197 R C 0.011 176.368 176.300 0.094 0.000 0.905 197 R CA -0.046 56.167 56.100 0.188 0.000 1.064 197 R CB -0.652 29.885 30.300 0.394 0.000 1.046 197 R HN 0.261 nan 8.270 nan 0.000 0.508 198 N N 0.170 118.901 118.700 0.051 0.000 2.641 198 N HA -0.233 4.507 4.740 -0.000 0.000 0.267 198 N C -0.489 174.947 175.510 -0.123 0.000 1.087 198 N CA 0.259 53.289 53.050 -0.034 0.000 0.731 198 N CB -1.427 37.015 38.487 -0.075 0.000 0.886 198 N HN 0.234 nan 8.380 nan 0.000 0.547 199 F N -1.035 118.845 119.950 -0.115 0.000 2.746 199 F HA 0.178 4.705 4.527 -0.000 0.000 0.313 199 F C 2.229 177.920 175.800 -0.182 0.000 1.095 199 F CA 0.607 58.497 58.000 -0.183 0.000 1.224 199 F CB 0.260 39.130 39.000 -0.217 0.000 1.060 199 F HN 0.437 nan 8.300 nan 0.000 0.584 200 T N -1.850 112.729 114.554 0.042 0.000 3.007 200 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 200 T C 2.124 176.806 174.700 -0.030 0.000 1.107 200 T CA 0.992 63.094 62.100 0.004 0.000 1.118 200 T CB -0.348 68.520 68.868 0.001 0.000 0.889 200 T HN 0.146 nan 8.240 nan 0.000 0.506 201 A N 1.988 124.775 122.820 -0.056 0.000 1.917 201 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 201 A C 2.419 179.961 177.584 -0.070 0.000 1.182 201 A CA 1.796 53.794 52.037 -0.065 0.000 0.633 201 A CB -0.440 18.507 19.000 -0.087 0.000 0.819 201 A HN 0.613 nan 8.150 nan 0.000 0.448 202 K N -2.284 118.050 120.400 -0.110 0.000 2.399 202 K HA 0.174 4.494 4.320 -0.000 0.000 0.196 202 K C -0.037 176.464 176.600 -0.166 0.000 1.117 202 K CA 0.616 56.814 56.287 -0.148 0.000 0.965 202 K CB 0.637 32.981 32.500 -0.259 0.000 0.983 202 K HN 0.268 nan 8.250 nan 0.000 0.531 203 S N 0.916 116.534 115.700 -0.135 0.000 2.673 203 S HA 0.273 4.743 4.470 -0.000 0.000 0.256 203 S C -2.536 172.044 174.600 -0.034 0.000 1.141 203 S CA -1.494 56.651 58.200 -0.092 0.000 1.109 203 S CB 1.137 64.229 63.200 -0.180 0.000 1.101 203 S HN -0.177 nan 8.310 nan 0.000 0.471 204 P HA -0.040 nan 4.420 nan 0.000 0.218 204 P C -0.302 176.992 177.300 -0.011 0.000 1.146 204 P CA 1.230 64.324 63.100 -0.010 0.000 0.820 204 P CB 0.123 31.819 31.700 -0.007 0.000 0.778 205 L N -2.434 118.787 121.223 -0.002 0.000 2.354 205 L HA 0.661 5.001 4.340 -0.000 0.000 0.264 205 L C -0.317 176.499 176.870 -0.090 0.000 1.008 205 L CA -1.018 53.810 54.840 -0.020 0.000 0.819 205 L CB 1.873 44.050 42.059 0.197 0.000 1.339 205 L HN -0.203 nan 8.230 nan 0.000 0.420 206 M N 1.740 121.120 119.600 -0.366 0.000 2.534 206 M HA 0.581 5.061 4.480 -0.000 0.000 0.280 206 M C -2.157 173.792 176.300 -0.585 0.000 1.217 206 M CA -0.433 54.640 55.300 -0.379 0.000 0.893 206 M CB 2.090 34.367 32.600 -0.537 0.000 1.730 206 M HN 0.340 nan 8.290 nan 0.000 0.483 207 Y N 0.125 120.458 120.300 0.055 0.000 2.597 207 Y HA 0.723 5.273 4.550 -0.000 0.000 0.340 207 Y C -0.866 175.162 175.900 0.213 0.000 1.097 207 Y CA -0.756 57.414 58.100 0.117 0.000 1.037 207 Y CB 2.118 40.613 38.460 0.058 0.000 1.305 207 Y HN 0.691 nan 8.280 nan 0.000 0.463 208 E N 0.087 120.511 120.200 0.374 0.000 2.412 208 E HA 0.552 4.902 4.350 -0.000 0.000 0.279 208 E C -2.136 174.686 176.600 0.370 0.000 0.984 208 E CA -1.090 55.491 56.400 0.302 0.000 0.788 208 E CB 2.978 32.722 29.700 0.073 0.000 1.277 208 E HN 0.541 nan 8.360 nan 0.000 0.455 209 W N 2.324 123.740 121.300 0.193 0.000 3.256 209 W HA 0.400 5.060 4.660 -0.000 0.000 0.324 209 W C -1.261 175.400 176.519 0.235 0.000 1.196 209 W CA -0.887 56.561 57.345 0.171 0.000 1.206 209 W CB 1.168 30.710 29.460 0.136 0.000 1.385 209 W HN 0.694 nan 8.180 nan 0.000 0.522 210 Y N 5.800 125.500 120.300 -1.000 0.000 3.001 210 Y HA -0.376 4.174 4.550 -0.000 0.000 0.207 210 Y C 1.124 176.784 175.900 -0.400 0.000 1.231 210 Y CA 2.453 59.980 58.100 -0.955 0.000 1.024 210 Y CB -0.888 36.590 38.460 -1.638 0.000 1.267 210 Y HN 0.711 nan 8.280 nan 0.000 0.501 211 Q N -1.542 118.070 119.800 -0.312 0.000 2.494 211 Q HA -0.268 4.072 4.340 -0.000 0.000 0.266 211 Q C -0.362 175.487 176.000 -0.253 0.000 1.053 211 Q CA 1.408 57.040 55.803 -0.286 0.000 1.029 211 Q CB -0.762 27.768 28.738 -0.346 0.000 1.423 211 Q HN 0.669 nan 8.270 nan 0.000 0.516 212 E N -0.442 119.635 120.200 -0.204 0.000 2.383 212 E HA 0.283 4.633 4.350 -0.000 0.000 0.275 212 E C -1.092 175.353 176.600 -0.259 0.000 0.918 212 E CA -0.783 55.418 56.400 -0.332 0.000 0.764 212 E CB 0.873 30.252 29.700 -0.535 0.000 1.252 212 E HN 0.142 nan 8.360 nan 0.000 0.449 213 Y N 1.101 121.356 120.300 -0.074 0.000 2.616 213 Y HA 0.158 4.708 4.550 -0.000 0.000 0.350 213 Y C 0.062 175.935 175.900 -0.045 0.000 1.119 213 Y CA -0.439 57.663 58.100 0.003 0.000 1.467 213 Y CB -0.101 38.372 38.460 0.022 0.000 1.287 213 Y HN 0.332 nan 8.280 nan 0.000 0.504 214 Y N 0.893 121.334 120.300 0.234 0.000 2.336 214 Y HA 0.123 4.673 4.550 -0.000 0.000 0.331 214 Y C 0.960 176.921 175.900 0.102 0.000 1.211 214 Y CA -0.082 58.127 58.100 0.183 0.000 1.346 214 Y CB 0.936 39.547 38.460 0.251 0.000 1.271 214 Y HN 0.349 nan 8.280 nan 0.000 0.538 215 V N 1.160 121.217 119.914 0.238 0.000 3.151 215 V HA 0.165 4.285 4.120 -0.000 0.000 0.241 215 V C 1.269 177.351 176.094 -0.019 0.000 1.173 215 V CA 0.943 63.283 62.300 0.067 0.000 1.154 215 V CB -0.183 31.650 31.823 0.017 0.000 0.898 215 V HN 0.933 nan 8.190 nan 0.000 0.473 216 G N -0.593 108.218 108.800 0.017 0.000 2.489 216 G HA2 0.387 4.347 3.960 -0.000 0.000 0.271 216 G HA3 0.387 4.347 3.960 -0.000 0.000 0.271 216 G C 1.104 175.787 174.900 -0.362 0.000 1.427 216 G CA 0.494 45.487 45.100 -0.178 0.000 1.057 216 G HN 0.387 nan 8.290 nan 0.000 0.532 217 A N -1.342 121.058 122.820 -0.699 0.000 1.943 217 A HA 0.451 4.771 4.320 -0.000 0.000 0.213 217 A C 2.563 179.513 177.584 -1.057 0.000 1.181 217 A CA 1.784 53.229 52.037 -0.987 0.000 0.653 217 A CB -0.653 17.310 19.000 -1.727 0.000 0.833 217 A HN 1.046 nan 8.150 nan 0.000 0.451 218 A N -1.232 120.880 122.820 -1.180 0.000 1.855 218 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 218 A C 1.912 178.958 177.584 -0.896 0.000 1.191 218 A CA 1.596 53.040 52.037 -0.988 0.000 0.613 218 A CB -0.531 17.842 19.000 -1.044 0.000 0.829 218 A HN 0.554 nan 8.150 nan 0.000 0.442 219 H N -1.847 116.873 119.070 -0.582 0.000 2.893 219 H HA 0.305 4.861 4.556 -0.000 0.000 0.270 219 H C 1.013 176.185 175.328 -0.260 0.000 1.095 219 H CA 0.442 56.130 56.048 -0.600 0.000 1.186 219 H CB 0.323 29.539 29.762 -0.910 0.000 1.562 219 H HN 0.491 nan 8.280 nan 0.000 0.536 220 G N -0.295 108.439 108.800 -0.110 0.000 3.212 220 G HA2 0.320 4.280 3.960 -0.000 0.000 0.188 220 G HA3 0.320 4.280 3.960 -0.000 0.000 0.188 220 G C 0.534 175.348 174.900 -0.143 0.000 1.254 220 G CA -0.410 44.698 45.100 0.013 0.000 0.957 220 G HN -0.012 nan 8.290 nan 0.000 0.596 221 L N 0.596 121.727 121.223 -0.154 0.000 2.049 221 L HA 0.168 4.508 4.340 -0.000 0.000 0.203 221 L C 3.381 179.988 176.870 -0.439 0.000 1.074 221 L CA 2.120 56.709 54.840 -0.418 0.000 0.749 221 L CB -1.493 40.428 42.059 -0.229 0.000 0.907 221 L HN 0.580 nan 8.230 nan 0.000 0.439 222 A N -0.150 122.561 122.820 -0.181 0.000 1.915 222 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 222 A C 2.394 179.995 177.584 0.028 0.000 1.198 222 A CA 2.241 54.239 52.037 -0.066 0.000 0.647 222 A CB -1.471 17.429 19.000 -0.167 0.000 0.825 222 A HN 0.463 nan 8.150 nan 0.000 0.456 223 G N -0.181 108.588 108.800 -0.050 0.000 2.514 223 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 223 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 223 G C 1.544 176.494 174.900 0.084 0.000 1.198 223 G CA 1.254 46.421 45.100 0.111 0.000 0.780 223 G HN 0.508 nan 8.290 nan 0.000 0.565 224 I N -0.609 119.856 120.570 -0.175 0.000 2.163 224 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 224 I C 2.601 178.705 176.117 -0.022 0.000 1.085 224 I CA 1.303 62.454 61.300 -0.249 0.000 1.347 224 I CB -0.328 37.299 38.000 -0.622 0.000 1.044 224 I HN 0.254 nan 8.210 nan 0.000 0.408 225 Y N -1.103 119.225 120.300 0.047 0.000 2.220 225 Y HA -0.305 4.245 4.550 -0.000 0.000 0.291 225 Y C 2.617 178.570 175.900 0.087 0.000 1.129 225 Y CA 1.046 59.188 58.100 0.070 0.000 1.161 225 Y CB -0.503 38.004 38.460 0.078 0.000 0.997 225 Y HN 0.115 nan 8.280 nan 0.000 0.522 226 Y N -0.233 120.171 120.300 0.174 0.000 2.139 226 Y HA -0.422 4.128 4.550 -0.000 0.000 0.282 226 Y C 2.063 177.980 175.900 0.028 0.000 1.179 226 Y CA 1.688 59.840 58.100 0.085 0.000 1.161 226 Y CB -0.704 37.826 38.460 0.118 0.000 0.970 226 Y HN 0.086 nan 8.280 nan 0.000 0.511 227 Y N -0.014 120.158 120.300 -0.213 0.000 2.163 227 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 227 Y C 2.238 178.008 175.900 -0.217 0.000 1.136 227 Y CA 1.673 59.587 58.100 -0.311 0.000 1.147 227 Y CB -0.699 37.652 38.460 -0.181 0.000 0.987 227 Y HN 0.094 nan 8.280 nan 0.000 0.509 228 L N -0.690 120.568 121.223 0.059 0.000 2.447 228 L HA -0.243 4.097 4.340 -0.000 0.000 0.225 228 L C 1.906 178.742 176.870 -0.056 0.000 1.148 228 L CA 1.114 55.974 54.840 0.033 0.000 0.808 228 L CB -0.457 41.679 42.059 0.128 0.000 0.928 228 L HN 0.306 nan 8.230 nan 0.000 0.448 229 M N -1.842 117.675 119.600 -0.139 0.000 2.502 229 M HA 0.036 4.516 4.480 -0.000 0.000 0.243 229 M C 0.272 176.389 176.300 -0.304 0.000 1.130 229 M CA 0.030 55.197 55.300 -0.222 0.000 1.055 229 M CB 0.303 32.766 32.600 -0.229 0.000 1.457 229 M HN 0.039 nan 8.290 nan 0.000 0.488 230 Q N 1.261 120.837 119.800 -0.372 0.000 2.289 230 Q HA 0.068 4.408 4.340 -0.000 0.000 0.273 230 Q C -1.619 174.228 176.000 -0.254 0.000 1.029 230 Q CA -1.554 54.012 55.803 -0.395 0.000 0.896 230 Q CB 0.436 28.848 28.738 -0.543 0.000 1.182 230 Q HN 0.001 nan 8.270 nan 0.000 0.385 231 P HA -0.100 nan 4.420 nan 0.000 0.221 231 P C 0.590 177.815 177.300 -0.126 0.000 1.145 231 P CA 1.000 64.009 63.100 -0.151 0.000 0.795 231 P CB 0.436 32.056 31.700 -0.135 0.000 0.775 232 S N -0.357 115.253 115.700 -0.150 0.000 2.383 232 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 232 S C 1.546 176.092 174.600 -0.091 0.000 1.030 232 S CA 1.156 59.285 58.200 -0.119 0.000 1.002 232 S CB -0.947 62.165 63.200 -0.146 0.000 0.829 232 S HN 0.104 nan 8.310 nan 0.000 0.467 233 L N 1.384 122.545 121.223 -0.103 0.000 2.552 233 L HA 0.110 4.450 4.340 -0.000 0.000 0.227 233 L C 0.475 177.321 176.870 -0.040 0.000 1.146 233 L CA 0.619 55.423 54.840 -0.059 0.000 0.858 233 L CB -1.274 40.755 42.059 -0.051 0.000 0.969 233 L HN 0.291 nan 8.230 nan 0.000 0.451 234 Q N -0.981 118.787 119.800 -0.054 0.000 2.417 234 Q HA -0.200 4.140 4.340 -0.000 0.000 0.350 234 Q C -0.171 175.819 176.000 -0.017 0.000 1.364 234 Q CA 0.041 55.821 55.803 -0.038 0.000 1.024 234 Q CB -2.046 26.677 28.738 -0.025 0.000 1.235 234 Q HN 0.145 nan 8.270 nan 0.000 0.388 235 V N 1.671 121.574 119.914 -0.018 0.000 2.572 235 V HA 0.089 4.209 4.120 -0.000 0.000 0.291 235 V C 1.050 177.154 176.094 0.016 0.000 1.039 235 V CA 0.322 62.627 62.300 0.008 0.000 1.055 235 V CB 1.272 33.105 31.823 0.015 0.000 0.969 235 V HN 0.642 nan 8.190 nan 0.000 0.482 236 S N 3.726 119.444 115.700 0.031 0.000 2.573 236 S HA -0.095 4.375 4.470 -0.000 0.000 0.297 236 S C 0.984 175.622 174.600 0.064 0.000 1.280 236 S CA -0.007 58.217 58.200 0.040 0.000 1.061 236 S CB 0.574 63.800 63.200 0.043 0.000 0.812 236 S HN 0.753 nan 8.310 nan 0.000 0.500 237 Q N 3.585 123.428 119.800 0.072 0.000 2.156 237 Q HA -0.118 4.222 4.340 -0.000 0.000 0.211 237 Q C 2.097 178.222 176.000 0.209 0.000 0.995 237 Q CA 2.532 58.413 55.803 0.130 0.000 0.877 237 Q CB -1.190 27.610 28.738 0.104 0.000 0.920 237 Q HN 0.995 nan 8.270 nan 0.000 0.416 238 G N -0.262 108.619 108.800 0.135 0.000 2.404 238 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 238 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 238 G C 1.286 176.271 174.900 0.142 0.000 1.174 238 G CA 0.794 45.972 45.100 0.130 0.000 0.780 238 G HN 0.363 nan 8.290 nan 0.000 0.537 239 K N -0.533 119.929 120.400 0.104 0.000 2.211 239 K HA 0.006 4.326 4.320 -0.000 0.000 0.204 239 K C 2.319 178.977 176.600 0.096 0.000 1.047 239 K CA 0.424 56.764 56.287 0.088 0.000 0.935 239 K CB -0.176 32.367 32.500 0.071 0.000 0.728 239 K HN 0.159 nan 8.250 nan 0.000 0.452 240 L N 0.305 121.599 121.223 0.118 0.000 2.093 240 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 240 L C 2.114 179.021 176.870 0.061 0.000 1.085 240 L CA 1.741 56.646 54.840 0.109 0.000 0.755 240 L CB -0.409 41.705 42.059 0.091 0.000 0.904 240 L HN 0.322 nan 8.230 nan 0.000 0.435 241 H N -2.126 117.009 119.070 0.108 0.000 2.431 241 H HA 0.080 4.636 4.556 -0.000 0.000 0.295 241 H C 2.324 177.629 175.328 -0.038 0.000 1.038 241 H CA 1.340 57.386 56.048 -0.003 0.000 1.360 241 H CB 0.181 29.953 29.762 0.018 0.000 1.433 241 H HN 0.397 nan 8.280 nan 0.000 0.536 242 S N 0.065 115.835 115.700 0.118 0.000 2.414 242 S HA -0.032 4.438 4.470 -0.000 0.000 0.227 242 S C 1.912 176.526 174.600 0.023 0.000 1.022 242 S CA 0.580 58.814 58.200 0.057 0.000 0.958 242 S CB -0.035 63.199 63.200 0.056 0.000 0.797 242 S HN 0.039 nan 8.310 nan 0.000 0.493 243 L N 0.426 121.663 121.223 0.024 0.000 2.541 243 L HA 0.414 4.754 4.340 -0.000 0.000 0.187 243 L C 2.557 179.406 176.870 -0.035 0.000 1.098 243 L CA 0.688 55.535 54.840 0.012 0.000 0.846 243 L CB -0.753 41.334 42.059 0.046 0.000 1.151 243 L HN 0.145 nan 8.230 nan 0.000 0.492 244 V N -0.057 119.840 119.914 -0.029 0.000 2.283 244 V HA -0.241 3.879 4.120 -0.000 0.000 0.243 244 V C 2.491 178.475 176.094 -0.184 0.000 1.039 244 V CA 1.762 64.003 62.300 -0.098 0.000 1.016 244 V CB -0.575 31.261 31.823 0.022 0.000 0.650 244 V HN 0.416 nan 8.190 nan 0.000 0.449 245 K N 0.382 120.680 120.400 -0.170 0.000 2.020 245 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 245 K C -0.165 176.317 176.600 -0.195 0.000 1.050 245 K CA 2.247 58.328 56.287 -0.342 0.000 0.929 245 K CB -1.091 30.941 32.500 -0.782 0.000 0.714 245 K HN 0.422 nan 8.250 nan 0.000 0.443 246 P HA -0.008 nan 4.420 nan 0.000 0.219 246 P C 0.928 178.206 177.300 -0.037 0.000 1.150 246 P CA 1.191 64.258 63.100 -0.056 0.000 0.814 246 P CB 0.144 31.819 31.700 -0.041 0.000 0.787 247 S N -0.382 115.235 115.700 -0.139 0.000 2.368 247 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 247 S C 2.026 176.469 174.600 -0.262 0.000 1.030 247 S CA 1.256 59.336 58.200 -0.200 0.000 0.999 247 S CB -1.383 61.547 63.200 -0.450 0.000 0.844 247 S HN -0.030 nan 8.310 nan 0.000 0.459 248 V N 2.631 122.316 119.914 -0.381 0.000 2.261 248 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 248 V C 2.158 178.297 176.094 0.074 0.000 1.047 248 V CA 1.847 64.061 62.300 -0.143 0.000 1.015 248 V CB -0.775 30.973 31.823 -0.126 0.000 0.642 248 V HN 0.353 nan 8.190 nan 0.000 0.446 249 D N -1.008 119.453 120.400 0.102 0.000 2.158 249 D HA -0.245 4.395 4.640 -0.000 0.000 0.197 249 D C 1.878 178.298 176.300 0.200 0.000 0.995 249 D CA 1.787 55.895 54.000 0.180 0.000 0.846 249 D CB -0.332 40.545 40.800 0.128 0.000 0.941 249 D HN 0.661 nan 8.370 nan 0.000 0.456 250 Y N 1.129 121.468 120.300 0.065 0.000 2.181 250 Y HA -0.250 4.300 4.550 -0.000 0.000 0.288 250 Y C 2.207 178.180 175.900 0.121 0.000 1.146 250 Y CA 1.002 59.155 58.100 0.088 0.000 1.164 250 Y CB 0.040 38.552 38.460 0.086 0.000 0.982 250 Y HN -0.191 nan 8.280 nan 0.000 0.515 251 V N -0.760 119.136 119.914 -0.029 0.000 2.490 251 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 251 V C 2.460 178.574 176.094 0.034 0.000 1.061 251 V CA 1.616 63.863 62.300 -0.088 0.000 1.064 251 V CB -0.994 30.869 31.823 0.067 0.000 0.670 251 V HN 0.646 nan 8.190 nan 0.000 0.461 252 C N -0.363 119.012 119.300 0.125 0.000 2.429 252 C HA -0.189 4.270 4.460 -0.000 0.000 0.277 252 C C 2.815 177.889 174.990 0.140 0.000 1.262 252 C CA 0.882 60.029 59.018 0.215 0.000 1.733 252 C CB -1.110 26.761 27.740 0.218 0.000 2.010 252 C HN 0.589 nan 8.230 nan 0.000 0.483 253 Q N 0.278 120.120 119.800 0.071 0.000 2.291 253 Q HA -0.076 4.264 4.340 -0.000 0.000 0.206 253 Q C 1.893 177.881 176.000 -0.020 0.000 0.976 253 Q CA 1.051 56.881 55.803 0.045 0.000 0.875 253 Q CB -0.193 28.609 28.738 0.106 0.000 0.927 253 Q HN 0.706 nan 8.270 nan 0.000 0.450 254 L N 1.059 122.229 121.223 -0.088 0.000 2.478 254 L HA -0.017 4.323 4.340 -0.000 0.000 0.223 254 L C 1.180 177.938 176.870 -0.186 0.000 1.140 254 L CA 0.159 54.914 54.840 -0.141 0.000 0.842 254 L CB -0.413 41.525 42.059 -0.202 0.000 0.953 254 L HN 0.072 nan 8.230 nan 0.000 0.452 255 K N 2.092 122.398 120.400 -0.157 0.000 2.437 255 K HA -0.057 4.263 4.320 -0.000 0.000 0.277 255 K C -0.245 176.200 176.600 -0.259 0.000 1.073 255 K CA 0.017 56.021 56.287 -0.473 0.000 1.105 255 K CB -0.059 32.176 32.500 -0.443 0.000 0.881 255 K HN -0.059 nan 8.250 nan 0.000 0.475 256 F N 5.359 125.145 119.950 -0.272 0.000 2.650 256 F HA -0.111 4.416 4.527 -0.000 0.000 0.355 256 F C -0.776 174.934 175.800 -0.150 0.000 1.163 256 F CA -1.390 56.510 58.000 -0.167 0.000 1.374 256 F CB 0.151 39.061 39.000 -0.151 0.000 1.065 256 F HN 0.570 nan 8.300 nan 0.000 0.616 257 P HA -0.268 nan 4.420 nan 0.000 0.214 257 P C 1.566 178.878 177.300 0.020 0.000 1.169 257 P CA 2.541 65.660 63.100 0.031 0.000 0.908 257 P CB -0.210 31.485 31.700 -0.009 0.000 0.791 258 S N -2.005 113.703 115.700 0.013 0.000 2.423 258 S HA -0.111 4.359 4.470 -0.000 0.000 0.238 258 S C 1.840 176.473 174.600 0.055 0.000 1.028 258 S CA 1.726 59.946 58.200 0.034 0.000 1.000 258 S CB -1.405 61.800 63.200 0.007 0.000 0.797 258 S HN 0.403 nan 8.310 nan 0.000 0.487 259 G N 0.860 109.666 108.800 0.010 0.000 2.380 259 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.197 259 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.197 259 G C 0.126 174.929 174.900 -0.161 0.000 1.001 259 G CA 0.035 45.106 45.100 -0.048 0.000 0.668 259 G HN 0.628 nan 8.290 nan 0.000 0.483 260 N N 0.071 118.752 118.700 -0.031 0.000 2.255 260 N HA 0.526 5.266 4.740 -0.000 0.000 0.253 260 N C -0.740 174.594 175.510 -0.292 0.000 1.313 260 N CA 0.237 53.302 53.050 0.025 0.000 0.912 260 N CB 0.066 38.675 38.487 0.203 0.000 1.145 260 N HN 0.260 nan 8.380 nan 0.000 0.511 261 Y N -1.005 119.292 120.300 -0.005 0.000 2.457 261 Y HA 0.400 4.950 4.550 -0.000 0.000 0.343 261 Y C -1.959 173.740 175.900 -0.334 0.000 0.994 261 Y CA -1.805 56.127 58.100 -0.280 0.000 1.031 261 Y CB 2.064 40.419 38.460 -0.175 0.000 1.246 261 Y HN 0.459 nan 8.280 nan 0.000 0.449 262 P HA 0.155 nan 4.420 nan 0.000 0.272 262 P C -2.341 174.923 177.300 -0.060 0.000 1.230 262 P CA -1.502 61.422 63.100 -0.293 0.000 0.788 262 P CB 1.019 32.435 31.700 -0.473 0.000 0.949 263 P HA -0.029 nan 4.420 nan 0.000 0.215 263 P C -0.206 177.108 177.300 0.022 0.000 1.157 263 P CA 1.249 64.353 63.100 0.006 0.000 0.859 263 P CB 0.120 31.706 31.700 -0.192 0.000 0.786 264 C N -1.242 117.997 119.300 -0.102 0.000 2.667 264 C HA 0.484 4.944 4.460 -0.000 0.000 0.323 264 C C 0.476 175.449 174.990 -0.028 0.000 1.214 264 C CA -1.407 57.527 59.018 -0.141 0.000 1.721 264 C CB 0.777 28.310 27.740 -0.345 0.000 2.275 264 C HN 0.078 nan 8.230 nan 0.000 0.491 265 I N 2.436 123.043 120.570 0.061 0.000 2.906 265 I HA 0.239 4.409 4.170 -0.000 0.000 0.301 265 I C 1.423 177.607 176.117 0.111 0.000 1.221 265 I CA 2.070 63.438 61.300 0.113 0.000 1.435 265 I CB -0.258 37.884 38.000 0.238 0.000 1.345 265 I HN 1.175 nan 8.210 nan 0.000 0.558 266 G N 4.158 113.008 108.800 0.083 0.000 2.143 266 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 266 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 266 G C -0.019 174.928 174.900 0.077 0.000 0.991 266 G CA -0.396 44.757 45.100 0.088 0.000 0.689 266 G HN 0.703 nan 8.290 nan 0.000 0.522 267 D N -0.098 120.346 120.400 0.072 0.000 2.302 267 D HA 0.303 4.943 4.640 -0.000 0.000 0.248 267 D C 1.293 177.735 176.300 0.237 0.000 1.094 267 D CA 0.420 54.490 54.000 0.116 0.000 0.897 267 D CB 0.847 41.710 40.800 0.105 0.000 1.200 267 D HN 0.422 nan 8.370 nan 0.000 0.429 268 N N 0.344 119.167 118.700 0.205 0.000 2.382 268 N HA -0.067 4.673 4.740 -0.000 0.000 0.200 268 N C 0.173 175.718 175.510 0.058 0.000 1.122 268 N CA -0.166 53.002 53.050 0.195 0.000 0.870 268 N CB 0.246 38.793 38.487 0.099 0.000 1.176 268 N HN 0.222 nan 8.380 nan 0.000 0.474 269 R N 1.105 121.641 120.500 0.059 0.000 2.297 269 R HA 0.283 4.623 4.340 -0.000 0.000 0.308 269 R C -1.107 175.137 176.300 -0.092 0.000 1.029 269 R CA -0.317 55.778 56.100 -0.009 0.000 0.929 269 R CB 0.252 30.623 30.300 0.117 0.000 1.046 269 R HN -0.061 nan 8.270 nan 0.000 0.461 270 D N 4.273 124.481 120.400 -0.320 0.000 2.422 270 D HA 0.191 4.831 4.640 -0.000 0.000 0.227 270 D C 0.321 176.578 176.300 -0.072 0.000 1.190 270 D CA -0.203 53.545 54.000 -0.420 0.000 0.905 270 D CB 0.475 40.852 40.800 -0.705 0.000 1.034 270 D HN 0.626 nan 8.370 nan 0.000 0.507 271 L N 2.351 123.580 121.223 0.009 0.000 2.638 271 L HA 0.197 4.537 4.340 -0.000 0.000 0.195 271 L C 0.009 176.833 176.870 -0.078 0.000 1.065 271 L CA -0.118 54.698 54.840 -0.041 0.000 0.859 271 L CB 0.202 42.224 42.059 -0.061 0.000 1.269 271 L HN 0.205 nan 8.230 nan 0.000 0.484 272 L N 1.083 122.252 121.223 -0.090 0.000 2.272 272 L HA 0.296 4.636 4.340 -0.000 0.000 0.289 272 L C -0.271 176.484 176.870 -0.192 0.000 1.032 272 L CA -0.042 54.608 54.840 -0.316 0.000 0.810 272 L CB 1.408 43.222 42.059 -0.409 0.000 1.205 272 L HN -0.215 nan 8.230 nan 0.000 0.422 273 V N 4.333 124.172 119.914 -0.125 0.000 2.204 273 V HA 0.379 4.499 4.120 -0.000 0.000 0.264 273 V C -0.140 176.140 176.094 0.310 0.000 1.106 273 V CA -0.499 61.865 62.300 0.106 0.000 0.947 273 V CB -0.791 31.138 31.823 0.177 0.000 1.164 273 V HN 0.732 nan 8.190 nan 0.000 0.461 274 H N 1.282 120.425 119.070 0.121 0.000 2.894 274 H HA 0.182 4.738 4.556 -0.000 0.000 0.368 274 H C 0.116 175.486 175.328 0.070 0.000 1.181 274 H CA -0.929 55.203 56.048 0.142 0.000 1.146 274 H CB 2.200 32.065 29.762 0.172 0.000 1.839 274 H HN 0.540 nan 8.280 nan 0.000 0.557 275 W N 2.428 123.769 121.300 0.068 0.000 2.342 275 W HA -0.217 4.443 4.660 -0.000 0.000 0.297 275 W C 1.287 177.678 176.519 -0.213 0.000 1.213 275 W CA 1.883 59.132 57.345 -0.160 0.000 1.251 275 W CB -0.928 28.395 29.460 -0.227 0.000 1.136 275 W HN 0.589 nan 8.180 nan 0.000 0.526 276 C N -0.115 118.925 119.300 -0.434 0.000 2.466 276 C HA 0.059 4.519 4.460 -0.000 0.000 0.278 276 C C 0.587 175.027 174.990 -0.917 0.000 1.288 276 C CA 0.619 59.114 59.018 -0.872 0.000 1.722 276 C CB -1.826 25.647 27.740 -0.445 0.000 2.017 276 C HN 0.299 nan 8.230 nan 0.000 0.488 277 H N -0.077 118.929 119.070 -0.107 0.000 2.782 277 H HA 0.623 5.179 4.556 -0.000 0.000 0.347 277 H C 0.379 175.670 175.328 -0.062 0.000 1.038 277 H CA 0.673 56.673 56.048 -0.080 0.000 1.255 277 H CB 1.338 31.110 29.762 0.017 0.000 1.623 277 H HN 0.732 nan 8.280 nan 0.000 0.525 278 G N 0.354 109.184 108.800 0.049 0.000 2.331 278 G HA2 0.160 4.120 3.960 -0.000 0.000 0.402 278 G HA3 0.160 4.120 3.960 -0.000 0.000 0.402 278 G C 0.574 175.516 174.900 0.070 0.000 1.275 278 G CA -0.228 44.929 45.100 0.095 0.000 1.003 278 G HN 0.744 nan 8.290 nan 0.000 0.500 279 A N -0.066 122.857 122.820 0.172 0.000 1.933 279 A HA 0.199 4.519 4.320 -0.000 0.000 0.218 279 A C 0.465 178.031 177.584 -0.031 0.000 1.175 279 A CA 2.867 55.003 52.037 0.165 0.000 0.628 279 A CB -1.260 17.868 19.000 0.213 0.000 0.814 279 A HN 0.530 nan 8.150 nan 0.000 0.444 280 P HA -0.010 nan 4.420 nan 0.000 0.231 280 P C 1.126 178.332 177.300 -0.158 0.000 1.158 280 P CA 1.603 64.648 63.100 -0.091 0.000 0.763 280 P CB -0.225 31.489 31.700 0.024 0.000 0.805 281 G N -1.397 107.272 108.800 -0.220 0.000 2.848 281 G HA2 0.021 3.981 3.960 -0.000 0.000 0.213 281 G HA3 0.021 3.981 3.960 -0.000 0.000 0.213 281 G C 1.204 175.890 174.900 -0.357 0.000 1.101 281 G CA 0.073 44.938 45.100 -0.391 0.000 0.778 281 G HN 0.128 nan 8.290 nan 0.000 0.536 282 V N 1.069 120.777 119.914 -0.344 0.000 3.052 282 V HA 0.077 4.197 4.120 -0.000 0.000 0.254 282 V C 2.347 178.246 176.094 -0.326 0.000 1.100 282 V CA 0.666 62.715 62.300 -0.420 0.000 1.112 282 V CB 0.116 31.402 31.823 -0.895 0.000 0.738 282 V HN 0.436 nan 8.190 nan 0.000 0.469 283 I N 0.084 120.445 120.570 -0.348 0.000 2.091 283 I HA -0.344 3.826 4.170 -0.000 0.000 0.239 283 I C 2.427 178.306 176.117 -0.396 0.000 1.061 283 I CA 2.199 63.271 61.300 -0.379 0.000 1.317 283 I CB -0.211 37.545 38.000 -0.407 0.000 1.031 283 I HN 0.338 nan 8.210 nan 0.000 0.401 284 Y N 0.171 120.334 120.300 -0.227 0.000 2.062 284 Y HA -0.419 4.131 4.550 -0.000 0.000 0.276 284 Y C 2.732 178.515 175.900 -0.194 0.000 1.189 284 Y CA 2.340 60.194 58.100 -0.411 0.000 1.130 284 Y CB -0.921 36.927 38.460 -1.020 0.000 0.959 284 Y HN 0.267 nan 8.280 nan 0.000 0.499 285 M N -0.022 119.590 119.600 0.020 0.000 2.082 285 M HA -0.261 4.219 4.480 -0.000 0.000 0.258 285 M C 1.954 178.301 176.300 0.078 0.000 1.069 285 M CA 1.958 57.359 55.300 0.168 0.000 1.102 285 M CB -0.359 32.306 32.600 0.107 0.000 1.336 285 M HN 0.367 nan 8.290 nan 0.000 0.404 286 L N 0.322 121.547 121.223 0.004 0.000 1.976 286 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 286 L C 2.520 179.439 176.870 0.082 0.000 1.071 286 L CA 1.472 56.344 54.840 0.053 0.000 0.746 286 L CB -1.251 40.848 42.059 0.067 0.000 0.890 286 L HN 0.460 nan 8.230 nan 0.000 0.432 287 I N -1.348 119.240 120.570 0.031 0.000 2.151 287 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 287 I C 2.534 178.733 176.117 0.137 0.000 1.080 287 I CA 1.769 63.111 61.300 0.071 0.000 1.339 287 I CB -0.816 37.180 38.000 -0.007 0.000 1.039 287 I HN 0.210 nan 8.210 nan 0.000 0.409 288 Q N 1.597 121.485 119.800 0.146 0.000 2.061 288 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 288 Q C 2.268 178.237 176.000 -0.053 0.000 0.984 288 Q CA 2.640 58.498 55.803 0.091 0.000 0.846 288 Q CB -0.893 27.965 28.738 0.200 0.000 0.902 288 Q HN 0.683 nan 8.270 nan 0.000 0.421 289 A N -0.746 122.028 122.820 -0.076 0.000 1.978 289 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 289 A C 2.025 179.549 177.584 -0.100 0.000 1.170 289 A CA 1.596 53.478 52.037 -0.258 0.000 0.636 289 A CB -0.996 17.638 19.000 -0.611 0.000 0.810 289 A HN 0.643 nan 8.150 nan 0.000 0.448 290 Y N 0.340 120.647 120.300 0.013 0.000 2.220 290 Y HA -0.079 4.470 4.550 -0.000 0.000 0.291 290 Y C 2.230 178.167 175.900 0.061 0.000 1.129 290 Y CA 1.894 60.096 58.100 0.170 0.000 1.161 290 Y CB -0.155 38.412 38.460 0.179 0.000 0.997 290 Y HN 0.196 nan 8.280 nan 0.000 0.522 291 K N -0.522 119.861 120.400 -0.029 0.000 2.044 291 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 291 K C 1.922 178.366 176.600 -0.260 0.000 1.049 291 K CA 1.920 58.119 56.287 -0.145 0.000 0.927 291 K CB -0.418 32.044 32.500 -0.064 0.000 0.713 291 K HN 0.250 nan 8.250 nan 0.000 0.443 292 V N -0.189 119.514 119.914 -0.351 0.000 2.535 292 V HA -0.106 4.014 4.120 -0.000 0.000 0.246 292 V C 1.605 177.374 176.094 -0.542 0.000 1.045 292 V CA 1.428 63.403 62.300 -0.542 0.000 1.058 292 V CB -0.255 31.057 31.823 -0.851 0.000 0.689 292 V HN 0.188 nan 8.190 nan 0.000 0.461 293 F N -1.184 118.709 119.950 -0.095 0.000 2.731 293 F HA 0.375 4.901 4.527 -0.000 0.000 0.298 293 F C 1.314 177.116 175.800 0.003 0.000 1.106 293 F CA -0.426 57.575 58.000 0.001 0.000 1.329 293 F CB 0.265 39.327 39.000 0.103 0.000 1.100 293 F HN -0.070 nan 8.300 nan 0.000 0.592 294 R N 2.084 122.558 120.500 -0.043 0.000 3.336 294 R HA -0.194 4.146 4.340 -0.000 0.000 0.260 294 R C -1.188 175.118 176.300 0.010 0.000 1.032 294 R CA 0.289 56.227 56.100 -0.270 0.000 0.693 294 R CB -2.027 28.177 30.300 -0.160 0.000 1.134 294 R HN 0.396 nan 8.270 nan 0.000 0.433 295 E N -0.821 119.519 120.200 0.233 0.000 2.199 295 E HA 0.103 4.453 4.350 -0.000 0.000 0.265 295 E C 0.308 177.097 176.600 0.315 0.000 0.882 295 E CA -0.715 55.823 56.400 0.230 0.000 0.759 295 E CB 1.623 31.384 29.700 0.103 0.000 1.148 295 E HN 0.134 nan 8.360 nan 0.000 0.412 296 E N 3.184 123.522 120.200 0.230 0.000 2.233 296 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 296 E C 1.555 178.199 176.600 0.073 0.000 1.004 296 E CA 1.881 58.389 56.400 0.181 0.000 0.819 296 E CB 0.102 29.862 29.700 0.101 0.000 0.738 296 E HN 0.506 nan 8.360 nan 0.000 0.478 297 K N -0.935 119.432 120.400 -0.054 0.000 2.057 297 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 297 K C 1.952 178.518 176.600 -0.056 0.000 1.049 297 K CA 1.696 57.904 56.287 -0.133 0.000 0.931 297 K CB -0.770 31.564 32.500 -0.276 0.000 0.714 297 K HN 0.274 nan 8.250 nan 0.000 0.440 298 Y N 0.864 121.275 120.300 0.185 0.000 2.293 298 Y HA -0.137 4.412 4.550 -0.000 0.000 0.291 298 Y C 2.337 178.294 175.900 0.096 0.000 1.137 298 Y CA 0.130 58.337 58.100 0.178 0.000 1.202 298 Y CB -0.069 38.551 38.460 0.267 0.000 0.990 298 Y HN 0.048 nan 8.280 nan 0.000 0.537 299 L N -0.662 120.644 121.223 0.138 0.000 2.095 299 L HA -0.127 4.213 4.340 -0.000 0.000 0.204 299 L C 2.129 179.059 176.870 0.100 0.000 1.080 299 L CA 1.276 56.048 54.840 -0.114 0.000 0.759 299 L CB -0.997 40.727 42.059 -0.559 0.000 0.914 299 L HN 0.261 nan 8.230 nan 0.000 0.439 300 C N 0.086 119.468 119.300 0.137 0.000 2.413 300 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 300 C C 2.288 177.380 174.990 0.170 0.000 1.236 300 C CA 0.905 60.028 59.018 0.176 0.000 1.735 300 C CB -1.044 26.747 27.740 0.084 0.000 2.031 300 C HN 0.553 nan 8.230 nan 0.000 0.474 301 D N 0.806 121.292 120.400 0.143 0.000 2.263 301 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 301 D C 2.145 178.521 176.300 0.127 0.000 0.971 301 D CA 1.454 55.551 54.000 0.162 0.000 0.867 301 D CB -0.364 40.567 40.800 0.218 0.000 0.929 301 D HN 0.563 nan 8.370 nan 0.000 0.492 302 A N 0.047 122.896 122.820 0.048 0.000 1.854 302 A HA -0.153 4.167 4.320 -0.000 0.000 0.214 302 A C 2.003 179.506 177.584 -0.135 0.000 1.192 302 A CA 0.834 52.810 52.037 -0.101 0.000 0.611 302 A CB -1.102 17.755 19.000 -0.238 0.000 0.832 302 A HN 0.198 nan 8.150 nan 0.000 0.442 303 Y N -0.077 120.177 120.300 -0.076 0.000 2.151 303 Y HA -0.332 4.218 4.550 -0.000 0.000 0.284 303 Y C 2.771 178.693 175.900 0.037 0.000 1.166 303 Y CA 2.040 60.115 58.100 -0.041 0.000 1.163 303 Y CB -0.464 38.000 38.460 0.006 0.000 0.974 303 Y HN 0.482 nan 8.280 nan 0.000 0.511 304 Q N -0.081 119.843 119.800 0.207 0.000 2.029 304 Q HA -0.246 4.094 4.340 -0.000 0.000 0.209 304 Q C 2.322 178.409 176.000 0.146 0.000 0.999 304 Q CA 2.732 58.630 55.803 0.159 0.000 0.857 304 Q CB -0.870 27.947 28.738 0.131 0.000 0.926 304 Q HN 0.531 nan 8.270 nan 0.000 0.415 305 C N -0.064 119.305 119.300 0.115 0.000 2.398 305 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 305 C C 2.797 177.840 174.990 0.088 0.000 1.222 305 C CA 0.840 59.915 59.018 0.095 0.000 1.746 305 C CB -1.742 26.008 27.740 0.017 0.000 2.039 305 C HN 0.738 nan 8.230 nan 0.000 0.470 306 A N 1.030 123.886 122.820 0.060 0.000 1.873 306 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 306 A C 1.781 179.591 177.584 0.377 0.000 1.193 306 A CA 2.489 54.622 52.037 0.160 0.000 0.629 306 A CB -0.770 18.306 19.000 0.126 0.000 0.826 306 A HN 0.613 nan 8.150 nan 0.000 0.447 307 D N -0.250 120.353 120.400 0.337 0.000 2.144 307 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 307 D C 2.136 178.636 176.300 0.333 0.000 0.984 307 D CA 1.583 55.805 54.000 0.370 0.000 0.834 307 D CB -0.581 40.388 40.800 0.282 0.000 0.955 307 D HN 0.310 nan 8.370 nan 0.000 0.465 308 V N 1.187 121.265 119.914 0.273 0.000 2.261 308 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 308 V C 2.560 178.839 176.094 0.308 0.000 1.047 308 V CA 1.271 63.748 62.300 0.295 0.000 1.015 308 V CB -0.589 31.381 31.823 0.244 0.000 0.642 308 V HN 0.102 nan 8.190 nan 0.000 0.446 309 I N -0.855 119.868 120.570 0.254 0.000 2.202 309 I HA -0.255 3.914 4.170 -0.000 0.000 0.242 309 I C 2.434 178.827 176.117 0.460 0.000 1.091 309 I CA 1.928 63.365 61.300 0.228 0.000 1.368 309 I CB -0.492 37.449 38.000 -0.097 0.000 1.058 309 I HN 0.438 nan 8.210 nan 0.000 0.410 310 W N 1.746 123.297 121.300 0.420 0.000 2.305 310 W HA -0.330 4.330 4.660 -0.000 0.000 0.308 310 W C 2.420 179.093 176.519 0.257 0.000 1.226 310 W CA 1.994 59.611 57.345 0.453 0.000 1.253 310 W CB -0.131 29.527 29.460 0.329 0.000 1.146 310 W HN 0.284 nan 8.180 nan 0.000 0.507 311 Q N -1.472 118.325 119.800 -0.005 0.000 2.163 311 Q HA -0.166 4.174 4.340 -0.000 0.000 0.198 311 Q C 0.929 176.561 176.000 -0.613 0.000 0.954 311 Q CA 1.288 56.813 55.803 -0.463 0.000 0.851 311 Q CB -0.164 28.199 28.738 -0.626 0.000 0.928 311 Q HN 0.404 nan 8.270 nan 0.000 0.459 312 Y N -2.542 117.797 120.300 0.064 0.000 2.588 312 Y HA 0.323 4.873 4.550 -0.000 0.000 0.247 312 Y C 1.565 177.505 175.900 0.066 0.000 1.157 312 Y CA -0.117 58.001 58.100 0.030 0.000 1.215 312 Y CB 0.907 39.390 38.460 0.039 0.000 1.245 312 Y HN 0.114 nan 8.280 nan 0.000 0.534 313 G N 0.104 109.067 108.800 0.271 0.000 2.650 313 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.214 313 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.214 313 G C 0.397 175.397 174.900 0.167 0.000 1.136 313 G CA 0.243 45.556 45.100 0.355 0.000 0.789 313 G HN 0.038 nan 8.290 nan 0.000 0.536 314 L N 1.956 123.092 121.223 -0.145 0.000 2.356 314 L HA 0.383 4.723 4.340 -0.000 0.000 0.282 314 L C 0.121 176.929 176.870 -0.102 0.000 1.132 314 L CA -0.243 54.332 54.840 -0.442 0.000 0.923 314 L CB 0.408 41.905 42.059 -0.937 0.000 1.278 314 L HN 0.007 nan 8.230 nan 0.000 0.436 315 L N 3.026 124.245 121.223 -0.007 0.000 2.312 315 L HA 0.314 4.654 4.340 -0.000 0.000 0.281 315 L C 1.452 178.301 176.870 -0.035 0.000 1.070 315 L CA -0.542 54.292 54.840 -0.010 0.000 0.805 315 L CB 0.851 42.943 42.059 0.055 0.000 1.174 315 L HN 0.493 nan 8.230 nan 0.000 0.434 316 K N 1.243 121.450 120.400 -0.323 0.000 2.360 316 K HA -0.178 4.142 4.320 -0.000 0.000 0.201 316 K C 1.623 178.167 176.600 -0.093 0.000 1.046 316 K CA 0.899 56.956 56.287 -0.383 0.000 0.945 316 K CB 0.054 32.227 32.500 -0.545 0.000 0.750 316 K HN 0.322 nan 8.250 nan 0.000 0.464 317 K N 0.127 120.492 120.400 -0.057 0.000 2.057 317 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 317 K C 0.704 177.278 176.600 -0.044 0.000 1.050 317 K CA 1.347 57.624 56.287 -0.018 0.000 0.935 317 K CB 0.179 32.692 32.500 0.022 0.000 0.715 317 K HN 0.279 nan 8.250 nan 0.000 0.439 318 G N -2.738 105.993 108.800 -0.115 0.000 2.345 318 G HA2 0.028 3.988 3.960 -0.000 0.000 0.285 318 G HA3 0.028 3.988 3.960 -0.000 0.000 0.285 318 G C -0.695 174.005 174.900 -0.334 0.000 1.297 318 G CA -0.344 44.580 45.100 -0.293 0.000 0.875 318 G HN 0.033 nan 8.290 nan 0.000 0.506 319 Y N 0.845 121.140 120.300 -0.010 0.000 2.449 319 Y HA 0.420 4.970 4.550 -0.000 0.000 0.254 319 Y C 2.200 178.110 175.900 0.018 0.000 1.140 319 Y CA 0.051 58.172 58.100 0.035 0.000 1.272 319 Y CB 0.200 38.654 38.460 -0.010 0.000 1.114 319 Y HN 0.755 nan 8.280 nan 0.000 0.525 320 G N 0.458 109.294 108.800 0.059 0.000 2.597 320 G HA2 0.001 3.961 3.960 -0.000 0.000 0.283 320 G HA3 0.001 3.961 3.960 -0.000 0.000 0.283 320 G C 0.824 175.619 174.900 -0.174 0.000 1.319 320 G CA -0.168 44.882 45.100 -0.084 0.000 1.054 320 G HN 0.315 nan 8.290 nan 0.000 0.583 321 L N -1.341 119.658 121.223 -0.373 0.000 2.556 321 L HA 0.112 4.452 4.340 -0.000 0.000 0.226 321 L C 2.395 179.049 176.870 -0.361 0.000 1.089 321 L CA 0.240 54.767 54.840 -0.523 0.000 0.864 321 L CB 0.350 41.755 42.059 -1.091 0.000 1.067 321 L HN 0.662 nan 8.230 nan 0.000 0.477 322 C N -0.525 118.586 119.300 -0.315 0.000 2.535 322 C HA 0.132 4.592 4.460 -0.000 0.000 0.310 322 C C 1.044 176.130 174.990 0.161 0.000 1.344 322 C CA -0.018 59.044 59.018 0.073 0.000 1.831 322 C CB -0.162 27.665 27.740 0.145 0.000 2.284 322 C HN 0.533 nan 8.230 nan 0.000 0.523 323 H N -0.630 118.433 119.070 -0.011 0.000 2.596 323 H HA 0.553 5.109 4.556 -0.000 0.000 0.240 323 H C -0.195 175.010 175.328 -0.205 0.000 1.406 323 H CA 0.157 56.010 56.048 -0.326 0.000 1.504 323 H CB -0.213 29.072 29.762 -0.794 0.000 1.688 323 H HN 0.430 nan 8.280 nan 0.000 0.546 324 G N 0.150 108.931 108.800 -0.033 0.000 2.608 324 G HA2 0.275 4.235 3.960 -0.000 0.000 0.291 324 G HA3 0.275 4.235 3.960 -0.000 0.000 0.291 324 G C 0.107 175.066 174.900 0.099 0.000 1.425 324 G CA -0.478 44.627 45.100 0.008 0.000 0.787 324 G HN 0.187 nan 8.290 nan 0.000 0.484 325 S N 0.002 115.780 115.700 0.130 0.000 2.368 325 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 325 S C 2.788 177.515 174.600 0.212 0.000 1.029 325 S CA 1.789 60.117 58.200 0.214 0.000 0.988 325 S CB -0.445 62.862 63.200 0.178 0.000 0.838 325 S HN 1.120 nan 8.310 nan 0.000 0.462 326 A N 2.023 124.894 122.820 0.086 0.000 1.873 326 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 326 A C 2.383 179.818 177.584 -0.247 0.000 1.193 326 A CA 1.951 53.831 52.037 -0.262 0.000 0.629 326 A CB -1.684 17.285 19.000 -0.051 0.000 0.826 326 A HN 0.524 nan 8.150 nan 0.000 0.447 327 G N -0.062 108.732 108.800 -0.011 0.000 2.459 327 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.217 327 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.217 327 G C 1.388 176.486 174.900 0.329 0.000 1.183 327 G CA 1.275 46.516 45.100 0.234 0.000 0.776 327 G HN 0.552 nan 8.290 nan 0.000 0.552 328 N N 1.408 120.217 118.700 0.181 0.000 2.104 328 N HA -0.090 4.650 4.740 -0.000 0.000 0.190 328 N C 2.404 177.803 175.510 -0.185 0.000 1.024 328 N CA 1.405 54.497 53.050 0.070 0.000 0.853 328 N CB -0.732 37.877 38.487 0.203 0.000 1.008 328 N HN 0.327 nan 8.380 nan 0.000 0.424 329 A N -0.059 122.685 122.820 -0.127 0.000 2.032 329 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 329 A C 1.871 179.377 177.584 -0.131 0.000 1.165 329 A CA 1.062 52.980 52.037 -0.197 0.000 0.645 329 A CB -0.929 17.933 19.000 -0.230 0.000 0.807 329 A HN 0.367 nan 8.150 nan 0.000 0.453 330 Y N -0.117 120.151 120.300 -0.053 0.000 2.224 330 Y HA -0.152 4.398 4.550 -0.000 0.000 0.289 330 Y C 2.846 178.772 175.900 0.044 0.000 1.146 330 Y CA 0.987 59.195 58.100 0.180 0.000 1.182 330 Y CB -0.464 38.301 38.460 0.509 0.000 0.983 330 Y HN 0.371 nan 8.280 nan 0.000 0.524 331 A N 0.610 123.395 122.820 -0.059 0.000 1.894 331 A HA -0.318 4.002 4.320 -0.000 0.000 0.220 331 A C 2.063 179.477 177.584 -0.283 0.000 1.237 331 A CA 2.410 54.235 52.037 -0.352 0.000 0.660 331 A CB -1.588 17.061 19.000 -0.584 0.000 0.835 331 A HN 0.532 nan 8.150 nan 0.000 0.461 332 F N -0.836 119.074 119.950 -0.067 0.000 2.065 332 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 332 F C 2.274 178.105 175.800 0.052 0.000 1.112 332 F CA 0.877 58.860 58.000 -0.028 0.000 1.212 332 F CB -0.516 38.461 39.000 -0.039 0.000 0.975 332 F HN 0.140 nan 8.300 nan 0.000 0.476 333 L N 0.319 121.713 121.223 0.286 0.000 2.012 333 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 333 L C 2.525 179.556 176.870 0.269 0.000 1.073 333 L CA 2.094 57.097 54.840 0.272 0.000 0.748 333 L CB -1.921 40.294 42.059 0.259 0.000 0.891 333 L HN 0.187 nan 8.230 nan 0.000 0.431 334 T N -0.213 114.461 114.554 0.199 0.000 2.684 334 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 334 T C 1.900 176.610 174.700 0.016 0.000 1.036 334 T CA 1.186 63.368 62.100 0.136 0.000 1.148 334 T CB -0.345 68.564 68.868 0.069 0.000 0.863 334 T HN 0.093 nan 8.240 nan 0.000 0.436 335 L N 0.439 121.603 121.223 -0.098 0.000 2.017 335 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 335 L C 2.143 178.942 176.870 -0.119 0.000 1.073 335 L CA 1.653 56.328 54.840 -0.276 0.000 0.745 335 L CB -1.174 40.504 42.059 -0.635 0.000 0.894 335 L HN 0.340 nan 8.230 nan 0.000 0.432 336 Y N 0.528 120.807 120.300 -0.035 0.000 2.081 336 Y HA -0.354 4.196 4.550 -0.000 0.000 0.280 336 Y C 2.365 178.280 175.900 0.025 0.000 1.163 336 Y CA 2.441 60.579 58.100 0.063 0.000 1.135 336 Y CB -0.567 37.939 38.460 0.076 0.000 0.970 336 Y HN 0.359 nan 8.280 nan 0.000 0.498 337 N N -0.188 118.504 118.700 -0.014 0.000 2.381 337 N HA -0.126 4.614 4.740 -0.000 0.000 0.182 337 N C 1.534 176.975 175.510 -0.114 0.000 1.025 337 N CA 1.058 54.043 53.050 -0.108 0.000 0.888 337 N CB -0.250 38.289 38.487 0.087 0.000 0.965 337 N HN 0.484 nan 8.380 nan 0.000 0.438 338 L N -0.892 120.283 121.223 -0.080 0.000 2.127 338 L HA 0.080 4.420 4.340 -0.000 0.000 0.203 338 L C 2.105 178.935 176.870 -0.067 0.000 1.080 338 L CA 1.491 56.303 54.840 -0.047 0.000 0.768 338 L CB -0.908 41.134 42.059 -0.029 0.000 0.924 338 L HN 0.057 nan 8.230 nan 0.000 0.444 339 T N -2.340 112.148 114.554 -0.110 0.000 2.939 339 T HA 0.000 4.350 4.350 -0.000 0.000 0.254 339 T C 1.097 175.742 174.700 -0.092 0.000 1.041 339 T CA 0.990 63.057 62.100 -0.055 0.000 1.142 339 T CB 0.029 68.901 68.868 0.007 0.000 0.874 339 T HN 0.469 nan 8.240 nan 0.000 0.452 340 Q N 0.874 120.511 119.800 -0.272 0.000 2.429 340 Q HA -0.110 4.230 4.340 -0.000 0.000 0.232 340 Q C -0.564 175.371 176.000 -0.108 0.000 0.724 340 Q CA 0.922 56.520 55.803 -0.342 0.000 1.287 340 Q CB -2.022 26.613 28.738 -0.172 0.000 1.429 340 Q HN 0.551 nan 8.270 nan 0.000 0.721 341 D N 0.265 120.684 120.400 0.031 0.000 2.359 341 D HA 0.041 4.681 4.640 -0.000 0.000 0.250 341 D C 1.203 177.539 176.300 0.059 0.000 1.264 341 D CA -0.081 53.970 54.000 0.086 0.000 0.911 341 D CB 0.425 41.359 40.800 0.223 0.000 1.056 341 D HN 0.101 nan 8.370 nan 0.000 0.499 342 M N 3.128 122.722 119.600 -0.011 0.000 2.255 342 M HA -0.214 4.266 4.480 -0.000 0.000 0.259 342 M C 1.845 177.844 176.300 -0.503 0.000 1.071 342 M CA 1.126 56.398 55.300 -0.046 0.000 1.074 342 M CB -0.754 31.954 32.600 0.180 0.000 1.384 342 M HN 0.457 nan 8.290 nan 0.000 0.415 343 K N 0.062 119.829 120.400 -1.056 0.000 2.089 343 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 343 K C 1.802 177.923 176.600 -0.798 0.000 1.048 343 K CA 1.879 57.394 56.287 -1.287 0.000 0.926 343 K CB -0.199 31.571 32.500 -1.217 0.000 0.714 343 K HN 0.357 nan 8.250 nan 0.000 0.448 344 Y N 0.531 120.714 120.300 -0.196 0.000 2.314 344 Y HA -0.108 4.442 4.550 -0.000 0.000 0.293 344 Y C 2.237 178.012 175.900 -0.208 0.000 1.129 344 Y CA 0.476 58.497 58.100 -0.131 0.000 1.201 344 Y CB -0.083 38.414 38.460 0.061 0.000 0.999 344 Y HN 0.040 nan 8.280 nan 0.000 0.541 345 L N -0.737 120.327 121.223 -0.265 0.000 1.989 345 L HA -0.314 4.026 4.340 -0.000 0.000 0.211 345 L C 2.439 179.146 176.870 -0.273 0.000 1.071 345 L CA 1.866 56.355 54.840 -0.584 0.000 0.749 345 L CB -0.552 40.793 42.059 -1.190 0.000 0.890 345 L HN 0.331 nan 8.230 nan 0.000 0.431 346 Y N 0.778 120.968 120.300 -0.184 0.000 2.102 346 Y HA -0.376 4.174 4.550 -0.000 0.000 0.280 346 Y C 2.750 178.443 175.900 -0.345 0.000 1.178 346 Y CA 2.058 60.092 58.100 -0.109 0.000 1.146 346 Y CB -0.173 38.281 38.460 -0.009 0.000 0.968 346 Y HN 0.080 nan 8.280 nan 0.000 0.504 347 R N -0.262 119.966 120.500 -0.453 0.000 2.066 347 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 347 R C 2.608 178.610 176.300 -0.497 0.000 1.131 347 R CA 1.097 56.724 56.100 -0.789 0.000 0.955 347 R CB -0.731 28.593 30.300 -1.627 0.000 0.851 347 R HN 0.454 nan 8.270 nan 0.000 0.432 348 A N 0.799 123.432 122.820 -0.311 0.000 1.892 348 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 348 A C 2.412 180.096 177.584 0.166 0.000 1.188 348 A CA 1.819 53.933 52.037 0.129 0.000 0.631 348 A CB -1.026 18.067 19.000 0.156 0.000 0.822 348 A HN 0.498 nan 8.150 nan 0.000 0.447 349 C N -0.735 118.496 119.300 -0.115 0.000 2.429 349 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 349 C C 2.696 177.493 174.990 -0.322 0.000 1.262 349 C CA 1.158 60.048 59.018 -0.212 0.000 1.733 349 C CB -0.792 26.554 27.740 -0.655 0.000 2.010 349 C HN 0.498 nan 8.230 nan 0.000 0.483 350 K N 0.178 120.280 120.400 -0.498 0.000 2.148 350 K HA -0.016 4.304 4.320 -0.000 0.000 0.204 350 K C 1.618 178.208 176.600 -0.017 0.000 1.050 350 K CA 1.220 57.204 56.287 -0.506 0.000 0.942 350 K CB -0.535 31.674 32.500 -0.485 0.000 0.724 350 K HN 0.457 nan 8.250 nan 0.000 0.446 351 F N 1.156 121.168 119.950 0.105 0.000 2.206 351 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 351 F C 2.336 178.397 175.800 0.436 0.000 1.090 351 F CA 0.843 59.041 58.000 0.330 0.000 1.323 351 F CB -0.641 38.590 39.000 0.385 0.000 1.028 351 F HN -0.016 nan 8.300 nan 0.000 0.492 352 A N -0.577 122.605 122.820 0.604 0.000 1.930 352 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 352 A C 2.075 179.901 177.584 0.404 0.000 1.175 352 A CA 1.684 54.052 52.037 0.553 0.000 0.627 352 A CB -0.717 18.512 19.000 0.380 0.000 0.815 352 A HN 0.311 nan 8.150 nan 0.000 0.443 353 E N -0.525 119.873 120.200 0.329 0.000 2.085 353 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 353 E C 1.789 178.593 176.600 0.341 0.000 0.994 353 E CA 1.503 58.065 56.400 0.270 0.000 0.801 353 E CB -0.357 29.362 29.700 0.031 0.000 0.743 353 E HN 0.733 nan 8.360 nan 0.000 0.453 354 W N 0.256 121.691 121.300 0.227 0.000 2.335 354 W HA -0.262 4.398 4.660 -0.000 0.000 0.311 354 W C 2.004 178.661 176.519 0.230 0.000 1.213 354 W CA 1.651 59.144 57.345 0.247 0.000 1.274 354 W CB -0.687 28.837 29.460 0.107 0.000 1.148 354 W HN 0.177 nan 8.180 nan 0.000 0.498 355 C N 0.684 120.220 119.300 0.394 0.000 2.411 355 C HA -0.192 4.268 4.460 -0.000 0.000 0.279 355 C C 2.784 177.812 174.990 0.064 0.000 1.288 355 C CA 0.937 60.079 59.018 0.207 0.000 1.764 355 C CB -1.462 26.499 27.740 0.368 0.000 1.974 355 C HN 0.300 nan 8.230 nan 0.000 0.498 356 L N 0.227 121.515 121.223 0.109 0.000 2.191 356 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 356 L C 1.972 178.826 176.870 -0.027 0.000 1.103 356 L CA 1.402 56.272 54.840 0.051 0.000 0.769 356 L CB -0.640 41.475 42.059 0.093 0.000 0.908 356 L HN 0.415 nan 8.230 nan 0.000 0.438 357 E N -0.704 119.441 120.200 -0.090 0.000 2.365 357 E HA -0.054 4.296 4.350 -0.000 0.000 0.188 357 E C -0.301 176.095 176.600 -0.340 0.000 1.102 357 E CA -0.404 55.862 56.400 -0.224 0.000 0.927 357 E CB -0.048 29.459 29.700 -0.322 0.000 1.073 357 E HN 0.215 nan 8.360 nan 0.000 0.467 358 Y N 1.136 121.160 120.300 -0.459 0.000 3.032 358 Y HA -0.144 4.406 4.550 -0.000 0.000 0.344 358 Y C 1.488 177.164 175.900 -0.373 0.000 1.273 358 Y CA 1.808 59.497 58.100 -0.684 0.000 1.588 358 Y CB 0.199 38.368 38.460 -0.484 0.000 1.209 358 Y HN 0.337 nan 8.280 nan 0.000 0.597 359 G N 4.141 112.796 108.800 -0.241 0.000 2.148 359 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 359 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 359 G C 0.392 175.228 174.900 -0.107 0.000 0.981 359 G CA 0.359 45.466 45.100 0.012 0.000 0.670 359 G HN 0.707 nan 8.290 nan 0.000 0.528 360 E N -0.376 119.596 120.200 -0.380 0.000 2.569 360 E HA 0.210 4.560 4.350 -0.000 0.000 0.205 360 E C 0.604 176.832 176.600 -0.621 0.000 1.006 360 E CA -0.393 55.706 56.400 -0.501 0.000 0.985 360 E CB 0.273 29.621 29.700 -0.587 0.000 1.060 360 E HN 0.643 nan 8.360 nan 0.000 0.460 361 H N -0.926 118.078 119.070 -0.110 0.000 3.398 361 H HA 0.184 4.739 4.556 -0.000 0.000 0.260 361 H C 1.242 176.616 175.328 0.077 0.000 1.189 361 H CA 0.572 56.520 56.048 -0.167 0.000 1.145 361 H CB 1.551 31.037 29.762 -0.459 0.000 1.599 361 H HN 0.324 nan 8.280 nan 0.000 0.615 362 G N 1.717 110.613 108.800 0.160 0.000 2.147 362 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.244 362 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.244 362 G C 0.426 175.441 174.900 0.190 0.000 1.005 362 G CA 0.267 45.465 45.100 0.162 0.000 0.713 362 G HN 0.392 nan 8.290 nan 0.000 0.515 363 C N 0.738 120.156 119.300 0.196 0.000 2.703 363 C HA 0.513 4.973 4.460 -0.000 0.000 0.411 363 C C 1.516 176.537 174.990 0.052 0.000 1.290 363 C CA -0.307 58.777 59.018 0.110 0.000 2.054 363 C CB 0.007 27.718 27.740 -0.048 0.000 2.732 363 C HN 0.833 nan 8.230 nan 0.000 0.650 364 R N 1.116 121.631 120.500 0.025 0.000 2.641 364 R HA 0.361 4.701 4.340 -0.000 0.000 0.269 364 R C -0.326 175.980 176.300 0.010 0.000 1.074 364 R CA -0.129 55.983 56.100 0.020 0.000 1.133 364 R CB -0.285 30.023 30.300 0.014 0.000 1.029 364 R HN 0.650 nan 8.270 nan 0.000 0.488 365 T N 3.731 118.292 114.554 0.013 0.000 2.814 365 T HA 0.175 4.525 4.350 -0.000 0.000 0.297 365 T C -1.982 172.712 174.700 -0.010 0.000 0.956 365 T CA -0.916 61.181 62.100 -0.005 0.000 1.123 365 T CB 0.717 69.583 68.868 -0.003 0.000 0.902 365 T HN 0.494 nan 8.240 nan 0.000 0.528 366 P HA 0.159 nan 4.420 nan 0.000 0.271 366 P C 0.539 177.831 177.300 -0.015 0.000 1.233 366 P CA -0.424 62.669 63.100 -0.011 0.000 0.789 366 P CB 0.586 32.263 31.700 -0.038 0.000 0.951 367 D N -0.684 119.729 120.400 0.022 0.000 2.097 367 D HA -0.077 4.563 4.640 -0.000 0.000 0.195 367 D C 0.595 176.901 176.300 0.009 0.000 0.989 367 D CA 1.692 55.710 54.000 0.029 0.000 0.827 367 D CB -0.645 40.190 40.800 0.059 0.000 0.966 367 D HN 0.451 nan 8.370 nan 0.000 0.456 368 T N -0.863 113.687 114.554 -0.007 0.000 2.929 368 T HA 0.410 4.760 4.350 -0.000 0.000 0.331 368 T C -2.430 172.209 174.700 -0.103 0.000 1.120 368 T CA -1.844 60.238 62.100 -0.030 0.000 0.973 368 T CB 1.982 70.828 68.868 -0.036 0.000 1.036 368 T HN -0.188 nan 8.240 nan 0.000 0.502 369 P HA 0.211 nan 4.420 nan 0.000 0.245 369 P C 0.053 176.893 177.300 -0.767 0.000 1.212 369 P CA 0.166 62.956 63.100 -0.517 0.000 0.774 369 P CB -0.210 31.044 31.700 -0.743 0.000 0.999 370 F N -1.731 118.218 119.950 -0.001 0.000 2.831 370 F HA 0.136 4.663 4.527 -0.000 0.000 0.334 370 F C 1.451 177.206 175.800 -0.076 0.000 1.071 370 F CA -0.349 57.638 58.000 -0.022 0.000 1.172 370 F CB -0.265 38.729 39.000 -0.010 0.000 1.054 370 F HN -0.236 nan 8.300 nan 0.000 0.572 371 S N 1.034 116.739 115.700 0.008 0.000 2.587 371 S HA 0.004 4.474 4.470 -0.000 0.000 0.260 371 S C 1.197 175.731 174.600 -0.109 0.000 1.353 371 S CA -0.517 57.634 58.200 -0.081 0.000 0.995 371 S CB 0.734 63.858 63.200 -0.127 0.000 0.912 371 S HN 0.200 nan 8.310 nan 0.000 0.568 372 L N -0.046 121.106 121.223 -0.118 0.000 2.046 372 L HA 0.134 4.474 4.340 -0.000 0.000 0.208 372 L C 1.819 178.512 176.870 -0.295 0.000 1.077 372 L CA 1.804 56.560 54.840 -0.140 0.000 0.747 372 L CB -0.756 41.290 42.059 -0.022 0.000 0.896 372 L HN 0.822 nan 8.230 nan 0.000 0.432 373 F N -1.460 118.178 119.950 -0.519 0.000 2.622 373 F HA 0.106 4.633 4.527 -0.000 0.000 0.288 373 F C 2.232 177.659 175.800 -0.621 0.000 1.120 373 F CA 0.294 57.881 58.000 -0.689 0.000 1.423 373 F CB 0.338 38.671 39.000 -1.112 0.000 1.127 373 F HN 0.062 nan 8.300 nan 0.000 0.588 374 E N -0.425 119.558 120.200 -0.361 0.000 2.290 374 E HA 0.176 4.526 4.350 -0.000 0.000 0.197 374 E C 1.282 177.782 176.600 -0.168 0.000 0.948 374 E CA 0.283 56.528 56.400 -0.258 0.000 0.895 374 E CB 0.181 29.806 29.700 -0.126 0.000 0.865 374 E HN 0.254 nan 8.360 nan 0.000 0.486 375 G N 0.502 109.213 108.800 -0.149 0.000 2.613 375 G HA2 0.250 4.210 3.960 -0.000 0.000 0.303 375 G HA3 0.250 4.210 3.960 -0.000 0.000 0.303 375 G C 0.497 175.388 174.900 -0.014 0.000 1.312 375 G CA -0.536 44.510 45.100 -0.089 0.000 1.036 375 G HN -0.039 nan 8.290 nan 0.000 0.513 376 M N -0.035 119.592 119.600 0.046 0.000 2.106 376 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 376 M C 2.649 178.981 176.300 0.053 0.000 1.068 376 M CA 2.330 57.695 55.300 0.108 0.000 1.100 376 M CB -0.301 32.379 32.600 0.132 0.000 1.351 376 M HN 0.624 nan 8.290 nan 0.000 0.404 377 A N 0.240 123.075 122.820 0.024 0.000 1.915 377 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 377 A C 2.280 179.862 177.584 -0.004 0.000 1.198 377 A CA 2.325 54.348 52.037 -0.024 0.000 0.647 377 A CB -1.965 16.998 19.000 -0.061 0.000 0.825 377 A HN 0.673 nan 8.150 nan 0.000 0.456 378 G N -1.597 107.157 108.800 -0.078 0.000 2.442 378 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 378 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 378 G C 1.564 176.487 174.900 0.038 0.000 1.141 378 G CA 1.797 46.807 45.100 -0.150 0.000 0.763 378 G HN 0.495 nan 8.290 nan 0.000 0.554 379 T N 1.669 116.294 114.554 0.120 0.000 2.643 379 T HA -0.075 4.275 4.350 -0.000 0.000 0.264 379 T C 2.382 177.223 174.700 0.234 0.000 1.045 379 T CA 1.152 63.403 62.100 0.252 0.000 1.155 379 T CB -0.269 68.810 68.868 0.353 0.000 0.863 379 T HN 0.284 nan 8.240 nan 0.000 0.420 380 I N 0.101 120.739 120.570 0.114 0.000 2.113 380 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 380 I C 2.278 178.463 176.117 0.114 0.000 1.057 380 I CA 2.042 63.376 61.300 0.057 0.000 1.314 380 I CB -0.644 37.342 38.000 -0.024 0.000 1.022 380 I HN 0.207 nan 8.210 nan 0.000 0.408 381 Y N 1.093 121.414 120.300 0.036 0.000 2.040 381 Y HA -0.401 4.149 4.550 -0.000 0.000 0.275 381 Y C 2.573 178.565 175.900 0.155 0.000 1.171 381 Y CA 2.435 60.578 58.100 0.072 0.000 1.123 381 Y CB -0.528 37.876 38.460 -0.094 0.000 0.963 381 Y HN 0.146 nan 8.280 nan 0.000 0.493 382 F N 0.277 120.406 119.950 0.298 0.000 2.069 382 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 382 F C 1.979 177.817 175.800 0.064 0.000 1.113 382 F CA 1.844 59.954 58.000 0.183 0.000 1.214 382 F CB -0.932 38.128 39.000 0.100 0.000 0.978 382 F HN 0.069 nan 8.300 nan 0.000 0.474 383 L N 0.111 121.239 121.223 -0.158 0.000 2.043 383 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 383 L C 2.789 179.482 176.870 -0.295 0.000 1.075 383 L CA 1.462 56.097 54.840 -0.341 0.000 0.752 383 L CB -1.238 40.765 42.059 -0.094 0.000 0.891 383 L HN 0.324 nan 8.230 nan 0.000 0.432 384 A N -0.890 121.849 122.820 -0.136 0.000 1.969 384 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 384 A C 1.944 179.413 177.584 -0.193 0.000 1.169 384 A CA 1.805 53.742 52.037 -0.167 0.000 0.635 384 A CB -0.420 18.458 19.000 -0.204 0.000 0.810 384 A HN 0.348 nan 8.150 nan 0.000 0.445 385 D N -0.591 119.772 120.400 -0.061 0.000 2.149 385 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 385 D C 1.760 177.983 176.300 -0.128 0.000 0.972 385 D CA 0.738 54.753 54.000 0.025 0.000 0.835 385 D CB -0.188 40.724 40.800 0.187 0.000 0.966 385 D HN 0.244 nan 8.370 nan 0.000 0.476 386 L N 0.375 121.398 121.223 -0.333 0.000 2.129 386 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 386 L C 1.857 178.601 176.870 -0.209 0.000 1.087 386 L CA 1.197 55.830 54.840 -0.345 0.000 0.757 386 L CB -0.723 40.993 42.059 -0.572 0.000 0.896 386 L HN 0.047 nan 8.230 nan 0.000 0.434 387 L N -0.931 120.162 121.223 -0.217 0.000 2.089 387 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 387 L C 1.077 177.878 176.870 -0.115 0.000 1.079 387 L CA 1.159 55.897 54.840 -0.170 0.000 0.758 387 L CB -0.756 41.172 42.059 -0.218 0.000 0.891 387 L HN 0.118 nan 8.230 nan 0.000 0.433 388 V N -0.446 119.405 119.914 -0.104 0.000 2.320 388 V HA 0.188 4.308 4.120 -0.000 0.000 0.257 388 V C -1.564 174.522 176.094 -0.013 0.000 0.996 388 V CA -0.810 61.457 62.300 -0.055 0.000 0.928 388 V CB 0.890 32.675 31.823 -0.064 0.000 1.169 388 V HN 0.091 nan 8.190 nan 0.000 0.475 389 P HA -0.205 nan 4.420 nan 0.000 0.216 389 P C 1.939 179.308 177.300 0.114 0.000 1.150 389 P CA 1.678 64.773 63.100 -0.008 0.000 0.843 389 P CB 0.232 31.849 31.700 -0.138 0.000 0.787 390 T N -1.617 113.013 114.554 0.127 0.000 2.881 390 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 390 T C 1.377 176.143 174.700 0.109 0.000 1.068 390 T CA 1.400 63.589 62.100 0.148 0.000 1.131 390 T CB -0.502 68.431 68.868 0.109 0.000 0.871 390 T HN 0.109 nan 8.240 nan 0.000 0.479 391 K N 0.351 120.804 120.400 0.088 0.000 2.358 391 K HA 0.478 4.798 4.320 -0.000 0.000 0.200 391 K C 0.573 177.251 176.600 0.130 0.000 1.030 391 K CA -0.189 56.150 56.287 0.086 0.000 1.097 391 K CB 0.602 33.132 32.500 0.049 0.000 0.862 391 K HN 0.308 nan 8.250 nan 0.000 0.534 392 A N 1.851 124.769 122.820 0.162 0.000 2.498 392 A HA 0.274 4.594 4.320 -0.000 0.000 0.239 392 A C -0.188 177.594 177.584 0.330 0.000 1.068 392 A CA 0.404 52.593 52.037 0.253 0.000 0.766 392 A CB 0.200 19.338 19.000 0.230 0.000 1.003 392 A HN 0.250 nan 8.150 nan 0.000 0.497 393 R N 0.777 121.514 120.500 0.395 0.000 2.548 393 R HA 0.379 4.719 4.340 -0.000 0.000 0.280 393 R C -1.387 174.928 176.300 0.027 0.000 1.061 393 R CA -0.472 55.779 56.100 0.251 0.000 0.915 393 R CB 1.148 31.531 30.300 0.139 0.000 1.210 393 R HN 0.709 nan 8.270 nan 0.000 0.442 394 F N 6.682 126.388 119.950 -0.407 0.000 2.502 394 F HA 0.331 4.858 4.527 -0.000 0.000 0.371 394 F C -1.798 173.579 175.800 -0.704 0.000 1.083 394 F CA -1.461 55.864 58.000 -1.125 0.000 1.174 394 F CB 0.784 39.322 39.000 -0.769 0.000 1.096 394 F HN 0.326 nan 8.300 nan 0.000 0.545 395 P HA 0.202 nan 4.420 nan 0.000 0.280 395 P C -0.105 177.043 177.300 -0.254 0.000 1.244 395 P CA 0.761 63.522 63.100 -0.566 0.000 0.784 395 P CB 1.594 32.559 31.700 -1.225 0.000 0.913 396 A N 1.701 124.480 122.820 -0.068 0.000 3.384 396 A HA -0.289 4.031 4.320 -0.000 0.000 0.260 396 A C 0.603 177.870 177.584 -0.528 0.000 1.168 396 A CA 1.312 53.332 52.037 -0.029 0.000 1.253 396 A CB -2.847 16.319 19.000 0.276 0.000 1.122 396 A HN 0.514 nan 8.150 nan 0.000 0.934 397 F N -0.838 118.783 119.950 -0.548 0.000 2.495 397 F HA 0.347 4.874 4.527 -0.000 0.000 0.272 397 F C 1.752 177.358 175.800 -0.323 0.000 0.919 397 F CA 1.223 58.993 58.000 -0.384 0.000 1.178 397 F CB -0.212 38.613 39.000 -0.292 0.000 1.030 397 F HN 0.211 nan 8.300 nan 0.000 0.777 398 E N 1.143 121.128 120.200 -0.358 0.000 2.001 398 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 398 E C 0.581 177.032 176.600 -0.248 0.000 1.002 398 E CA 1.427 57.619 56.400 -0.345 0.000 0.819 398 E CB -0.466 29.139 29.700 -0.158 0.000 0.769 398 E HN 0.357 nan 8.360 nan 0.000 0.454 399 L N 0.000 121.126 121.223 -0.162 0.000 2.949 399 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 399 L CA 0.000 54.773 54.840 -0.113 0.000 0.813 399 L CB 0.000 41.976 42.059 -0.139 0.000 0.961 399 L HN 0.000 nan 8.230 nan 0.000 0.502