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 2qlr_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR TMTDILSRGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSXIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.116 176.300 -0.306 0.000 1.140 1 M CA 0.000 55.141 55.300 -0.265 0.000 0.988 1 M CB 0.000 32.529 32.600 -0.119 0.000 1.302 2 N N 0.674 119.257 118.700 -0.196 0.000 2.699 2 N HA 0.183 4.923 4.740 -0.001 0.000 0.232 2 N C -0.167 175.327 175.510 -0.026 0.000 1.027 2 N CA -0.171 52.813 53.050 -0.111 0.000 0.920 2 N CB 0.456 38.897 38.487 -0.077 0.000 1.148 2 N HN 0.363 nan 8.380 nan 0.000 0.509 3 Y N 2.359 122.790 120.300 0.219 0.000 2.207 3 Y HA -0.215 4.334 4.550 -0.001 0.000 0.287 3 Y C 2.553 178.561 175.900 0.181 0.000 1.156 3 Y CA 1.406 59.678 58.100 0.287 0.000 1.182 3 Y CB -0.141 38.432 38.460 0.189 0.000 0.979 3 Y HN 0.676 nan 8.280 nan 0.000 0.521 4 A N 1.285 124.216 122.820 0.184 0.000 2.009 4 A HA -0.341 3.978 4.320 -0.001 0.000 0.222 4 A C 2.185 179.732 177.584 -0.061 0.000 1.175 4 A CA 2.399 54.473 52.037 0.062 0.000 0.651 4 A CB -0.791 18.227 19.000 0.030 0.000 0.815 4 A HN 0.655 nan 8.150 nan 0.000 0.459 5 R N -1.558 118.784 120.500 -0.262 0.000 2.189 5 R HA 0.007 4.346 4.340 -0.001 0.000 0.218 5 R C 0.293 176.243 176.300 -0.583 0.000 1.074 5 R CA 1.254 57.040 56.100 -0.524 0.000 0.991 5 R CB -0.490 29.404 30.300 -0.677 0.000 0.883 5 R HN 0.518 nan 8.270 nan 0.000 0.457 6 F N 1.498 121.510 119.950 0.105 0.000 2.819 6 F HA 0.475 5.001 4.527 -0.001 0.000 0.294 6 F C -0.007 175.875 175.800 0.137 0.000 1.166 6 F CA -0.626 57.459 58.000 0.142 0.000 1.374 6 F CB 0.192 39.304 39.000 0.187 0.000 0.956 6 F HN -0.141 nan 8.300 nan 0.000 0.509 7 I N -0.401 120.270 120.570 0.169 0.000 2.586 7 I HA 0.148 4.317 4.170 -0.001 0.000 0.288 7 I C 0.118 176.281 176.117 0.077 0.000 1.147 7 I CA -0.476 60.908 61.300 0.140 0.000 1.047 7 I CB 2.090 40.172 38.000 0.138 0.000 1.244 7 I HN -0.160 nan 8.210 nan 0.000 0.429 8 T N 3.245 117.843 114.554 0.074 0.000 2.802 8 T HA 0.209 4.558 4.350 -0.001 0.000 0.305 8 T C 1.257 175.972 174.700 0.025 0.000 1.053 8 T CA 0.583 62.710 62.100 0.045 0.000 1.058 8 T CB 1.410 70.309 68.868 0.052 0.000 0.988 8 T HN 0.753 nan 8.240 nan 0.000 0.539 9 A N 1.966 124.793 122.820 0.011 0.000 1.873 9 A HA 0.124 4.443 4.320 -0.001 0.000 0.215 9 A C 2.559 180.141 177.584 -0.003 0.000 1.186 9 A CA 1.755 53.794 52.037 0.003 0.000 0.616 9 A CB -1.226 17.773 19.000 -0.002 0.000 0.823 9 A HN 0.923 nan 8.150 nan 0.000 0.442 10 A N -0.561 122.254 122.820 -0.008 0.000 1.908 10 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 10 A C 2.519 180.083 177.584 -0.034 0.000 1.181 10 A CA 2.423 54.444 52.037 -0.026 0.000 0.627 10 A CB -0.953 18.024 19.000 -0.038 0.000 0.818 10 A HN 0.649 nan 8.150 nan 0.000 0.445 11 S N -0.542 115.147 115.700 -0.017 0.000 2.387 11 S HA 0.062 4.531 4.470 -0.001 0.000 0.226 11 S C 2.140 176.747 174.600 0.011 0.000 1.026 11 S CA 1.326 59.522 58.200 -0.008 0.000 0.972 11 S CB -0.484 62.733 63.200 0.029 0.000 0.814 11 S HN 0.859 nan 8.310 nan 0.000 0.477 12 A N 1.135 123.967 122.820 0.020 0.000 2.024 12 A HA 0.186 4.505 4.320 -0.001 0.000 0.220 12 A C 2.357 179.947 177.584 0.009 0.000 1.164 12 A CA 1.739 53.789 52.037 0.021 0.000 0.643 12 A CB -1.144 17.871 19.000 0.024 0.000 0.806 12 A HN 0.793 nan 8.150 nan 0.000 0.451 13 A N -0.301 122.518 122.820 -0.001 0.000 2.066 13 A HA 0.027 4.346 4.320 -0.001 0.000 0.218 13 A C 1.320 178.898 177.584 -0.009 0.000 1.157 13 A CA -0.045 51.989 52.037 -0.006 0.000 0.670 13 A CB -0.276 18.717 19.000 -0.012 0.000 0.804 13 A HN 0.520 nan 8.150 nan 0.000 0.453 14 R N 1.353 121.845 120.500 -0.015 0.000 2.486 14 R HA -0.015 4.324 4.340 -0.001 0.000 0.304 14 R C -0.986 175.314 176.300 0.001 0.000 0.913 14 R CA 0.437 56.530 56.100 -0.011 0.000 1.124 14 R CB -0.304 29.989 30.300 -0.011 0.000 0.891 14 R HN 0.585 nan 8.270 nan 0.000 0.410 15 N N 3.653 122.353 118.700 0.001 0.000 2.456 15 N HA 0.265 5.004 4.740 -0.001 0.000 0.296 15 N C -2.574 172.940 175.510 0.007 0.000 1.102 15 N CA -1.643 51.409 53.050 0.004 0.000 0.924 15 N CB 1.136 39.625 38.487 0.002 0.000 1.186 15 N HN 0.251 nan 8.380 nan 0.000 0.492 16 P HA -0.044 nan 4.420 nan 0.000 0.260 16 P C -0.643 176.660 177.300 0.005 0.000 1.172 16 P CA 0.427 63.532 63.100 0.008 0.000 0.760 16 P CB 0.472 32.176 31.700 0.007 0.000 0.773 17 S N 3.556 119.259 115.700 0.006 0.000 2.256 17 S HA 0.323 4.792 4.470 -0.001 0.000 0.210 17 S C -2.109 172.486 174.600 -0.008 0.000 1.329 17 S CA -1.396 56.804 58.200 0.000 0.000 1.267 17 S CB -0.380 62.823 63.200 0.004 0.000 1.086 17 S HN 0.266 nan 8.310 nan 0.000 0.468 18 P HA 0.434 nan 4.420 nan 0.000 0.282 18 P C -0.625 176.648 177.300 -0.044 0.000 1.287 18 P CA -0.728 62.360 63.100 -0.021 0.000 0.792 18 P CB 0.696 32.388 31.700 -0.013 0.000 1.163 19 I N -0.278 120.254 120.570 -0.063 0.000 2.313 19 I HA 0.352 4.521 4.170 -0.001 0.000 0.286 19 I C 1.040 177.134 176.117 -0.038 0.000 1.091 19 I CA -0.789 60.468 61.300 -0.073 0.000 1.216 19 I CB 0.362 38.277 38.000 -0.143 0.000 1.434 19 I HN 0.319 nan 8.210 nan 0.000 0.487 20 R N 2.664 123.150 120.500 -0.024 0.000 2.641 20 R HA 0.350 4.689 4.340 -0.001 0.000 0.197 20 R C 1.104 177.399 176.300 -0.009 0.000 1.408 20 R CA -0.154 55.937 56.100 -0.015 0.000 1.040 20 R CB -0.898 29.395 30.300 -0.011 0.000 2.279 20 R HN 0.368 nan 8.270 nan 0.000 0.520 21 T N -0.473 114.078 114.554 -0.006 0.000 3.609 21 T HA 0.078 4.427 4.350 -0.001 0.000 0.245 21 T C 1.319 176.017 174.700 -0.002 0.000 0.980 21 T CA 0.195 62.292 62.100 -0.004 0.000 0.940 21 T CB -0.777 68.089 68.868 -0.003 0.000 1.105 21 T HN 0.547 nan 8.240 nan 0.000 0.627 22 M N 0.805 120.404 119.600 -0.002 0.000 2.086 22 M HA -0.037 4.443 4.480 -0.001 0.000 0.261 22 M C 1.737 178.038 176.300 0.001 0.000 1.067 22 M CA 2.042 57.343 55.300 0.001 0.000 1.116 22 M CB -1.543 31.060 32.600 0.004 0.000 1.348 22 M HN 0.362 nan 8.290 nan 0.000 0.407 23 T N -2.920 111.634 114.554 0.000 0.000 3.240 23 T HA 0.323 4.672 4.350 -0.001 0.000 0.248 23 T C -0.113 174.584 174.700 -0.004 0.000 0.929 23 T CA -0.491 61.609 62.100 -0.001 0.000 0.939 23 T CB 0.024 68.893 68.868 0.001 0.000 1.114 23 T HN 0.323 nan 8.240 nan 0.000 0.558 24 D N -0.209 120.189 120.400 -0.004 0.000 2.204 24 D HA 0.255 4.895 4.640 -0.001 0.000 0.337 24 D C 1.771 178.069 176.300 -0.003 0.000 1.054 24 D CA -0.192 53.805 54.000 -0.004 0.000 0.869 24 D CB 0.285 41.082 40.800 -0.004 0.000 1.548 24 D HN 0.351 nan 8.370 nan 0.000 0.530 25 I N 0.632 121.201 120.570 -0.002 0.000 2.700 25 I HA -0.136 4.033 4.170 -0.001 0.000 0.261 25 I C 1.264 177.379 176.117 -0.003 0.000 1.219 25 I CA 0.960 62.258 61.300 -0.002 0.000 1.463 25 I CB 0.221 38.220 38.000 -0.001 0.000 1.092 25 I HN -0.048 nan 8.210 nan 0.000 0.452 26 L N -0.722 120.499 121.223 -0.003 0.000 2.818 26 L HA 0.193 4.532 4.340 -0.001 0.000 0.243 26 L C 1.373 178.239 176.870 -0.006 0.000 1.185 26 L CA 0.603 55.441 54.840 -0.004 0.000 0.988 26 L CB 0.215 42.273 42.059 -0.003 0.000 1.292 26 L HN -0.096 nan 8.230 nan 0.000 0.519 27 S N -0.735 114.962 115.700 -0.006 0.000 2.733 27 S HA 0.200 4.669 4.470 -0.001 0.000 0.247 27 S C 1.268 175.864 174.600 -0.006 0.000 1.043 27 S CA -0.383 57.813 58.200 -0.007 0.000 1.066 27 S CB 0.085 63.279 63.200 -0.009 0.000 1.045 27 S HN 0.523 nan 8.310 nan 0.000 0.586 28 R N 0.470 120.967 120.500 -0.005 0.000 2.629 28 R HA 0.416 4.755 4.340 -0.001 0.000 0.386 28 R C 0.554 176.852 176.300 -0.004 0.000 1.071 28 R CA -0.208 55.890 56.100 -0.004 0.000 1.104 28 R CB 0.300 30.599 30.300 -0.003 0.000 1.370 28 R HN 0.208 nan 8.270 nan 0.000 0.574 29 G N 1.688 110.485 108.800 -0.004 0.000 2.605 29 G HA2 0.591 4.550 3.960 -0.001 0.000 0.296 29 G HA3 0.591 4.550 3.960 -0.001 0.000 0.296 29 G C -2.852 172.045 174.900 -0.005 0.000 1.304 29 G CA -1.343 43.755 45.100 -0.004 0.000 0.941 29 G HN -0.057 nan 8.290 nan 0.000 0.475 30 P HA 0.281 nan 4.420 nan 0.000 0.271 30 P C 0.391 177.688 177.300 -0.005 0.000 1.216 30 P CA -0.378 62.719 63.100 -0.005 0.000 0.771 30 P CB 1.303 33.001 31.700 -0.004 0.000 0.864 31 K N 0.946 121.342 120.400 -0.006 0.000 2.633 31 K HA -0.075 4.244 4.320 -0.001 0.000 0.193 31 K C 1.138 177.735 176.600 -0.006 0.000 1.033 31 K CA 1.013 57.296 56.287 -0.007 0.000 0.980 31 K CB -0.138 32.357 32.500 -0.007 0.000 0.800 31 K HN 0.527 nan 8.250 nan 0.000 0.493 32 S N -0.908 114.789 115.700 -0.005 0.000 2.497 32 S HA 0.100 4.569 4.470 -0.001 0.000 0.218 32 S C 0.743 175.341 174.600 -0.004 0.000 1.023 32 S CA -0.496 57.701 58.200 -0.005 0.000 0.913 32 S CB -0.085 63.112 63.200 -0.004 0.000 0.800 32 S HN 0.174 nan 8.310 nan 0.000 0.505 33 M N 2.552 122.149 119.600 -0.004 0.000 2.255 33 M HA 0.136 4.615 4.480 -0.001 0.000 0.356 33 M C -0.361 175.936 176.300 -0.004 0.000 1.338 33 M CA 0.325 55.623 55.300 -0.004 0.000 0.962 33 M CB 0.291 32.889 32.600 -0.003 0.000 1.877 33 M HN 0.569 nan 8.290 nan 0.000 0.463 34 I N 3.822 124.390 120.570 -0.003 0.000 2.377 34 I HA 0.491 4.660 4.170 -0.001 0.000 0.293 34 I C -0.798 175.318 176.117 -0.002 0.000 0.987 34 I CA -0.154 61.144 61.300 -0.003 0.000 1.185 34 I CB 1.742 39.740 38.000 -0.004 0.000 1.341 34 I HN 0.613 nan 8.210 nan 0.000 0.455 35 S N 6.760 122.459 115.700 -0.001 0.000 2.482 35 S HA 0.583 5.052 4.470 -0.001 0.000 0.303 35 S C -0.140 174.460 174.600 0.001 0.000 1.091 35 S CA -0.770 57.430 58.200 0.000 0.000 1.057 35 S CB 1.327 64.528 63.200 0.001 0.000 1.031 35 S HN 0.760 nan 8.310 nan 0.000 0.485 36 L N 3.829 125.053 121.223 0.002 0.000 3.110 36 L HA 0.421 4.761 4.340 -0.001 0.000 0.266 36 L C 1.348 178.221 176.870 0.006 0.000 1.257 36 L CA -0.175 54.667 54.840 0.004 0.000 1.038 36 L CB 0.123 42.183 42.059 0.002 0.000 1.395 36 L HN 0.779 nan 8.230 nan 0.000 0.566 37 A N -0.275 122.549 122.820 0.006 0.000 2.252 37 A HA 0.398 4.717 4.320 -0.001 0.000 0.213 37 A C 1.267 178.857 177.584 0.009 0.000 1.188 37 A CA 0.242 52.283 52.037 0.007 0.000 0.863 37 A CB 0.044 19.046 19.000 0.004 0.000 0.893 37 A HN 0.332 nan 8.150 nan 0.000 0.495 38 G N -0.752 108.056 108.800 0.013 0.000 2.441 38 G HA2 0.397 4.356 3.960 -0.001 0.000 0.243 38 G HA3 0.397 4.356 3.960 -0.001 0.000 0.243 38 G C 0.814 175.732 174.900 0.031 0.000 1.281 38 G CA 0.187 45.300 45.100 0.021 0.000 0.854 38 G HN 0.493 nan 8.290 nan 0.000 0.560 39 G N 1.033 109.855 108.800 0.036 0.000 3.233 39 G HA2 0.251 4.210 3.960 -0.001 0.000 0.227 39 G HA3 0.251 4.210 3.960 -0.001 0.000 0.227 39 G C 0.636 175.611 174.900 0.126 0.000 1.175 39 G CA -0.448 44.687 45.100 0.058 0.000 0.781 39 G HN 0.481 nan 8.290 nan 0.000 0.542 40 L N 2.194 123.501 121.223 0.140 0.000 2.380 40 L HA 0.287 4.626 4.340 -0.001 0.000 0.273 40 L C -1.435 175.522 176.870 0.146 0.000 1.138 40 L CA -1.595 53.382 54.840 0.228 0.000 0.832 40 L CB 0.797 42.961 42.059 0.175 0.000 1.124 40 L HN 0.051 nan 8.230 nan 0.000 0.454 41 P HA 0.047 nan 4.420 nan 0.000 0.276 41 P C -0.714 176.531 177.300 -0.091 0.000 1.244 41 P CA -0.662 62.462 63.100 0.040 0.000 0.801 41 P CB 0.591 32.345 31.700 0.090 0.000 1.006 42 N N 2.693 121.295 118.700 -0.163 0.000 2.418 42 N HA -0.025 4.715 4.740 -0.001 0.000 0.277 42 N C -1.114 174.051 175.510 -0.576 0.000 1.317 42 N CA -0.923 51.974 53.050 -0.254 0.000 0.922 42 N CB 0.328 38.698 38.487 -0.194 0.000 1.194 42 N HN 0.275 nan 8.380 nan 0.000 0.485 43 P HA -0.071 nan 4.420 nan 0.000 0.226 43 P C 0.579 177.561 177.300 -0.529 0.000 1.153 43 P CA 0.671 63.311 63.100 -0.767 0.000 0.777 43 P CB 0.473 32.099 31.700 -0.123 0.000 0.794 44 N N -0.394 118.108 118.700 -0.330 0.000 2.364 44 N HA -0.040 4.699 4.740 -0.001 0.000 0.183 44 N C 1.591 177.007 175.510 -0.156 0.000 1.022 44 N CA 1.003 53.953 53.050 -0.167 0.000 0.883 44 N CB -0.207 38.209 38.487 -0.117 0.000 0.965 44 N HN 0.150 nan 8.380 nan 0.000 0.438 45 M N 0.087 119.520 119.600 -0.277 0.000 2.319 45 M HA 0.022 4.501 4.480 -0.001 0.000 0.265 45 M C 0.051 176.358 176.300 0.012 0.000 1.068 45 M CA 0.298 55.502 55.300 -0.159 0.000 1.118 45 M CB -0.923 31.561 32.600 -0.194 0.000 1.395 45 M HN -0.151 nan 8.290 nan 0.000 0.435 46 F N 2.419 122.347 119.950 -0.037 0.000 2.607 46 F HA 0.084 4.610 4.527 -0.001 0.000 0.374 46 F C -1.055 174.692 175.800 -0.089 0.000 1.104 46 F CA -1.943 56.025 58.000 -0.053 0.000 1.296 46 F CB -0.758 38.251 39.000 0.015 0.000 1.085 46 F HN 0.096 nan 8.300 nan 0.000 0.584 47 P HA 0.013 nan 4.420 nan 0.000 0.245 47 P C -0.189 177.006 177.300 -0.174 0.000 1.203 47 P CA 0.500 63.489 63.100 -0.185 0.000 0.792 47 P CB 0.226 31.714 31.700 -0.353 0.000 0.997 48 F N 0.999 120.995 119.950 0.077 0.000 2.427 48 F HA 0.285 4.811 4.527 -0.001 0.000 0.352 48 F C 1.769 177.633 175.800 0.106 0.000 1.100 48 F CA -0.015 58.026 58.000 0.068 0.000 1.191 48 F CB 0.772 39.798 39.000 0.043 0.000 1.128 48 F HN -0.316 nan 8.300 nan 0.000 0.533 49 K N 0.329 120.894 120.400 0.276 0.000 2.462 49 K HA 0.164 4.484 4.320 -0.001 0.000 0.201 49 K C 0.336 177.045 176.600 0.182 0.000 1.268 49 K CA 0.603 57.005 56.287 0.191 0.000 0.933 49 K CB 0.570 33.142 32.500 0.119 0.000 1.162 49 K HN 0.734 nan 8.250 nan 0.000 0.527 50 T N -1.641 113.019 114.554 0.178 0.000 2.883 50 T HA 0.799 5.149 4.350 -0.001 0.000 0.301 50 T C -1.320 173.455 174.700 0.125 0.000 1.158 50 T CA -0.950 61.239 62.100 0.150 0.000 1.007 50 T CB 2.437 71.359 68.868 0.091 0.000 1.186 50 T HN 0.049 nan 8.240 nan 0.000 0.499 51 A N 1.232 124.091 122.820 0.064 0.000 2.371 51 A HA 0.816 5.136 4.320 -0.001 0.000 0.311 51 A C -1.017 176.466 177.584 -0.169 0.000 1.068 51 A CA -0.803 51.173 52.037 -0.102 0.000 0.744 51 A CB 1.788 20.567 19.000 -0.368 0.000 1.239 51 A HN 1.009 nan 8.150 nan 0.000 0.435 52 V N 3.197 123.015 119.914 -0.159 0.000 2.577 52 V HA 0.519 4.638 4.120 -0.001 0.000 0.303 52 V C -0.734 175.250 176.094 -0.184 0.000 1.042 52 V CA -0.165 62.037 62.300 -0.163 0.000 0.872 52 V CB 1.523 33.291 31.823 -0.091 0.000 0.998 52 V HN 0.756 nan 8.190 nan 0.000 0.423 53 I N 4.156 124.594 120.570 -0.221 0.000 2.468 53 I HA 0.412 4.581 4.170 -0.001 0.000 0.285 53 I C 0.278 176.292 176.117 -0.173 0.000 1.039 53 I CA -0.368 60.804 61.300 -0.215 0.000 1.074 53 I CB 2.537 40.350 38.000 -0.312 0.000 1.228 53 I HN 0.699 nan 8.210 nan 0.000 0.436 54 T N 2.984 117.461 114.554 -0.129 0.000 2.918 54 T HA 0.741 5.090 4.350 -0.001 0.000 0.283 54 T C -0.321 174.311 174.700 -0.113 0.000 1.001 54 T CA -0.701 61.337 62.100 -0.104 0.000 1.041 54 T CB 2.163 70.989 68.868 -0.069 0.000 1.028 54 T HN 0.237 nan 8.240 nan 0.000 0.511 55 V N 1.348 121.203 119.914 -0.098 0.000 2.668 55 V HA 0.365 4.484 4.120 -0.001 0.000 0.304 55 V C -0.116 175.961 176.094 -0.028 0.000 1.071 55 V CA -0.954 61.282 62.300 -0.105 0.000 0.894 55 V CB 1.708 33.416 31.823 -0.192 0.000 1.008 55 V HN 1.052 nan 8.190 nan 0.000 0.425 56 E N 4.494 124.702 120.200 0.014 0.000 2.324 56 E HA 0.168 4.517 4.350 -0.001 0.000 0.271 56 E C 0.102 176.796 176.600 0.158 0.000 1.028 56 E CA 0.048 56.489 56.400 0.067 0.000 0.890 56 E CB 0.266 30.006 29.700 0.066 0.000 1.004 56 E HN 0.718 nan 8.360 nan 0.000 0.431 57 N N 2.094 120.880 118.700 0.142 0.000 2.754 57 N HA -0.165 4.575 4.740 -0.001 0.000 0.248 57 N C -0.543 175.178 175.510 0.353 0.000 1.093 57 N CA 1.241 54.408 53.050 0.195 0.000 0.699 57 N CB -1.285 37.300 38.487 0.163 0.000 1.016 57 N HN 0.647 nan 8.380 nan 0.000 0.552 58 G N -0.802 108.122 108.800 0.207 0.000 2.601 58 G HA2 0.437 4.397 3.960 -0.001 0.000 0.291 58 G HA3 0.437 4.397 3.960 -0.001 0.000 0.291 58 G C -1.296 173.604 174.900 -0.001 0.000 1.456 58 G CA -0.793 44.387 45.100 0.133 0.000 0.804 58 G HN 0.189 nan 8.290 nan 0.000 0.499 59 K N -0.003 120.364 120.400 -0.054 0.000 2.185 59 K HA 0.514 4.833 4.320 -0.001 0.000 0.271 59 K C 0.514 177.048 176.600 -0.110 0.000 1.013 59 K CA -0.199 56.051 56.287 -0.062 0.000 0.943 59 K CB 1.030 33.500 32.500 -0.050 0.000 0.998 59 K HN 0.617 nan 8.250 nan 0.000 0.468 60 T N 3.188 117.689 114.554 -0.088 0.000 2.901 60 T HA 0.223 4.572 4.350 -0.001 0.000 0.301 60 T C 0.228 174.856 174.700 -0.121 0.000 1.012 60 T CA -0.463 61.573 62.100 -0.107 0.000 1.135 60 T CB -0.011 68.807 68.868 -0.084 0.000 0.936 60 T HN 0.445 nan 8.240 nan 0.000 0.539 61 I N 4.405 124.878 120.570 -0.163 0.000 2.365 61 I HA 0.289 4.458 4.170 -0.001 0.000 0.291 61 I C 0.554 176.569 176.117 -0.171 0.000 1.004 61 I CA -0.378 60.823 61.300 -0.165 0.000 1.311 61 I CB 1.207 39.073 38.000 -0.223 0.000 1.401 61 I HN 0.551 nan 8.210 nan 0.000 0.491 62 Q N 6.354 126.117 119.800 -0.062 0.000 2.327 62 Q HA 0.414 4.753 4.340 -0.001 0.000 0.270 62 Q C -1.411 174.697 176.000 0.181 0.000 1.022 62 Q CA -0.684 55.107 55.803 -0.020 0.000 0.773 62 Q CB 2.361 31.102 28.738 0.004 0.000 1.251 62 Q HN 0.378 nan 8.270 nan 0.000 0.457 63 F N 1.357 121.240 119.950 -0.111 0.000 2.350 63 F HA 0.371 4.897 4.527 -0.001 0.000 0.365 63 F C 1.137 176.911 175.800 -0.044 0.000 1.122 63 F CA -1.098 56.840 58.000 -0.103 0.000 1.139 63 F CB 0.494 39.412 39.000 -0.136 0.000 1.220 63 F HN 0.495 nan 8.300 nan 0.000 0.499 64 G N 2.671 111.552 108.800 0.134 0.000 2.611 64 G HA2 0.110 4.069 3.960 -0.001 0.000 0.273 64 G HA3 0.110 4.069 3.960 -0.001 0.000 0.273 64 G C 0.908 175.856 174.900 0.080 0.000 1.305 64 G CA -0.373 44.775 45.100 0.081 0.000 1.010 64 G HN 0.560 nan 8.290 nan 0.000 0.509 65 E N 0.054 120.289 120.200 0.059 0.000 2.070 65 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 65 E C 2.136 178.760 176.600 0.040 0.000 1.004 65 E CA 1.291 57.726 56.400 0.058 0.000 0.805 65 E CB -0.058 29.668 29.700 0.042 0.000 0.744 65 E HN 0.537 nan 8.360 nan 0.000 0.451 66 E N 0.551 120.759 120.200 0.012 0.000 2.072 66 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 66 E C 2.046 178.623 176.600 -0.039 0.000 0.985 66 E CA 0.692 57.086 56.400 -0.011 0.000 0.801 66 E CB -0.335 29.351 29.700 -0.023 0.000 0.750 66 E HN 0.146 nan 8.360 nan 0.000 0.452 67 M N 0.669 120.229 119.600 -0.066 0.000 2.108 67 M HA -0.144 4.335 4.480 -0.001 0.000 0.261 67 M C 2.217 178.396 176.300 -0.202 0.000 1.066 67 M CA 1.319 56.508 55.300 -0.184 0.000 1.107 67 M CB -0.411 32.061 32.600 -0.213 0.000 1.356 67 M HN 0.095 nan 8.290 nan 0.000 0.406 68 M N 0.163 119.752 119.600 -0.018 0.000 2.080 68 M HA -0.208 4.272 4.480 -0.001 0.000 0.260 68 M C 1.793 178.172 176.300 0.131 0.000 1.068 68 M CA 2.007 57.383 55.300 0.125 0.000 1.109 68 M CB -0.479 32.262 32.600 0.234 0.000 1.342 68 M HN 0.262 nan 8.290 nan 0.000 0.405 69 K N -0.843 119.613 120.400 0.093 0.000 2.063 69 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 69 K C 2.210 178.865 176.600 0.090 0.000 1.048 69 K CA 1.796 58.151 56.287 0.113 0.000 0.928 69 K CB -0.402 32.133 32.500 0.058 0.000 0.713 69 K HN 0.431 nan 8.250 nan 0.000 0.442 70 R N 1.076 121.580 120.500 0.007 0.000 2.073 70 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 70 R C 2.225 178.517 176.300 -0.013 0.000 1.134 70 R CA 1.546 57.630 56.100 -0.027 0.000 0.952 70 R CB -0.334 29.904 30.300 -0.102 0.000 0.850 70 R HN 0.175 nan 8.270 nan 0.000 0.433 71 A N 1.102 123.889 122.820 -0.055 0.000 1.978 71 A HA -0.085 4.234 4.320 -0.001 0.000 0.220 71 A C 2.022 179.744 177.584 0.231 0.000 1.170 71 A CA 1.195 53.255 52.037 0.038 0.000 0.636 71 A CB -0.386 18.555 19.000 -0.099 0.000 0.810 71 A HN 0.403 nan 8.150 nan 0.000 0.448 72 L N -1.071 120.286 121.223 0.223 0.000 2.612 72 L HA 0.131 4.470 4.340 -0.001 0.000 0.230 72 L C 0.759 177.705 176.870 0.127 0.000 1.140 72 L CA -0.140 54.801 54.840 0.169 0.000 0.896 72 L CB -0.128 42.100 42.059 0.281 0.000 1.065 72 L HN 0.368 nan 8.230 nan 0.000 0.447 73 Q N -0.771 119.113 119.800 0.140 0.000 2.348 73 Q HA 0.312 4.651 4.340 -0.001 0.000 0.271 73 Q C -0.955 175.102 176.000 0.095 0.000 1.067 73 Q CA -0.764 55.114 55.803 0.125 0.000 0.839 73 Q CB 1.092 29.914 28.738 0.139 0.000 1.354 73 Q HN -0.030 nan 8.270 nan 0.000 0.447 74 Y N 0.702 121.087 120.300 0.142 0.000 2.788 74 Y HA 0.248 4.798 4.550 -0.001 0.000 0.341 74 Y C 0.681 176.474 175.900 -0.178 0.000 1.258 74 Y CA 0.750 58.892 58.100 0.071 0.000 1.503 74 Y CB 0.464 38.994 38.460 0.117 0.000 1.325 74 Y HN 0.647 nan 8.280 nan 0.000 0.614 75 S N 1.983 117.440 115.700 -0.405 0.000 2.697 75 S HA 0.734 5.204 4.470 -0.001 0.000 0.289 75 S C -3.080 171.307 174.600 -0.355 0.000 1.149 75 S CA -2.038 55.941 58.200 -0.368 0.000 0.850 75 S CB 1.951 64.950 63.200 -0.335 0.000 1.151 75 S HN 0.226 nan 8.310 nan 0.000 0.491 76 P HA 0.262 nan 4.420 nan 0.000 0.269 76 P C 0.647 177.934 177.300 -0.022 0.000 1.209 76 P CA -0.155 62.900 63.100 -0.075 0.000 0.776 76 P CB 0.335 32.011 31.700 -0.041 0.000 0.876 77 S N 2.097 117.819 115.700 0.037 0.000 2.393 77 S HA -0.297 4.172 4.470 -0.001 0.000 0.234 77 S C 1.738 176.392 174.600 0.091 0.000 1.064 77 S CA 1.998 60.253 58.200 0.091 0.000 1.088 77 S CB -1.045 62.188 63.200 0.054 0.000 0.939 77 S HN 0.670 nan 8.310 nan 0.000 0.448 78 A N 0.689 123.541 122.820 0.053 0.000 2.195 78 A HA 0.572 4.891 4.320 -0.001 0.000 0.210 78 A C 1.000 178.615 177.584 0.051 0.000 1.165 78 A CA 0.615 52.680 52.037 0.047 0.000 0.806 78 A CB -0.176 18.841 19.000 0.028 0.000 0.847 78 A HN 1.034 nan 8.150 nan 0.000 0.482 79 G N -0.511 108.317 108.800 0.046 0.000 2.317 79 G HA2 0.295 4.255 3.960 -0.001 0.000 0.445 79 G HA3 0.295 4.255 3.960 -0.001 0.000 0.445 79 G C -0.241 174.661 174.900 0.004 0.000 1.486 79 G CA -0.535 44.589 45.100 0.039 0.000 0.991 79 G HN 1.170 nan 8.290 nan 0.000 0.660 80 I N -0.129 120.437 120.570 -0.007 0.000 2.845 80 I HA 0.282 4.451 4.170 -0.001 0.000 0.296 80 I C -1.074 175.039 176.117 -0.007 0.000 1.216 80 I CA -1.129 60.155 61.300 -0.026 0.000 1.438 80 I CB 0.757 38.730 38.000 -0.045 0.000 1.342 80 I HN 0.271 nan 8.210 nan 0.000 0.577 81 P HA -0.238 nan 4.420 nan 0.000 0.216 81 P C 1.266 178.585 177.300 0.033 0.000 1.153 81 P CA 1.759 64.861 63.100 0.003 0.000 0.858 81 P CB -0.143 31.551 31.700 -0.011 0.000 0.789 82 E N -0.408 119.807 120.200 0.026 0.000 2.152 82 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 82 E C 1.966 178.715 176.600 0.248 0.000 0.983 82 E CA 0.926 57.383 56.400 0.095 0.000 0.818 82 E CB -1.225 28.439 29.700 -0.059 0.000 0.758 82 E HN 0.194 nan 8.360 nan 0.000 0.467 83 L N 0.961 122.264 121.223 0.133 0.000 2.095 83 L HA 0.037 4.376 4.340 -0.001 0.000 0.204 83 L C 2.450 179.378 176.870 0.097 0.000 1.080 83 L CA 1.078 55.988 54.840 0.117 0.000 0.759 83 L CB -0.489 41.589 42.059 0.032 0.000 0.914 83 L HN 0.063 nan 8.230 nan 0.000 0.439 84 L N -0.598 120.659 121.223 0.056 0.000 1.990 84 L HA -0.285 4.055 4.340 -0.001 0.000 0.213 84 L C 2.612 179.507 176.870 0.041 0.000 1.072 84 L CA 1.921 56.778 54.840 0.028 0.000 0.755 84 L CB -0.776 41.296 42.059 0.022 0.000 0.889 84 L HN 0.461 nan 8.230 nan 0.000 0.432 85 S N -1.697 114.050 115.700 0.077 0.000 2.382 85 S HA -0.255 4.214 4.470 -0.001 0.000 0.228 85 S C 1.554 176.194 174.600 0.066 0.000 1.027 85 S CA 1.054 59.295 58.200 0.068 0.000 0.991 85 S CB -0.855 62.398 63.200 0.088 0.000 0.823 85 S HN 0.570 nan 8.310 nan 0.000 0.469 86 W N 1.439 122.709 121.300 -0.051 0.000 2.388 86 W HA 0.099 4.758 4.660 -0.001 0.000 0.294 86 W C 1.650 178.064 176.519 -0.176 0.000 1.212 86 W CA 0.495 57.747 57.345 -0.155 0.000 1.271 86 W CB -0.046 29.236 29.460 -0.297 0.000 1.126 86 W HN 0.157 nan 8.180 nan 0.000 0.535 87 L N 0.738 122.026 121.223 0.107 0.000 2.131 87 L HA -0.047 4.292 4.340 -0.001 0.000 0.206 87 L C 2.139 178.928 176.870 -0.135 0.000 1.087 87 L CA 1.684 56.463 54.840 -0.101 0.000 0.767 87 L CB -1.520 40.295 42.059 -0.407 0.000 0.917 87 L HN -0.033 nan 8.230 nan 0.000 0.441 88 K N -0.717 119.629 120.400 -0.090 0.000 2.063 88 K HA -0.245 4.074 4.320 -0.001 0.000 0.208 88 K C 2.105 178.636 176.600 -0.115 0.000 1.048 88 K CA 1.360 57.602 56.287 -0.074 0.000 0.928 88 K CB -0.074 32.397 32.500 -0.048 0.000 0.713 88 K HN 0.108 nan 8.250 nan 0.000 0.442 89 Q N 1.303 120.996 119.800 -0.178 0.000 2.046 89 Q HA -0.114 4.225 4.340 -0.001 0.000 0.200 89 Q C 1.973 177.799 176.000 -0.289 0.000 0.975 89 Q CA 1.200 56.862 55.803 -0.236 0.000 0.836 89 Q CB -0.400 28.143 28.738 -0.325 0.000 0.896 89 Q HN 0.240 nan 8.270 nan 0.000 0.428 90 L N 0.402 121.368 121.223 -0.427 0.000 2.034 90 L HA -0.297 4.042 4.340 -0.001 0.000 0.217 90 L C 2.115 178.913 176.870 -0.119 0.000 1.077 90 L CA 2.063 56.709 54.840 -0.323 0.000 0.769 90 L CB -0.540 41.340 42.059 -0.297 0.000 0.890 90 L HN 0.281 nan 8.230 nan 0.000 0.435 91 Q N -0.506 119.262 119.800 -0.054 0.000 2.079 91 Q HA -0.141 4.198 4.340 -0.001 0.000 0.200 91 Q C 2.398 178.390 176.000 -0.014 0.000 0.974 91 Q CA 2.111 57.939 55.803 0.043 0.000 0.840 91 Q CB -0.376 28.422 28.738 0.100 0.000 0.898 91 Q HN 0.626 nan 8.270 nan 0.000 0.430 92 I N 0.783 121.315 120.570 -0.063 0.000 2.142 92 I HA -0.280 3.889 4.170 -0.001 0.000 0.240 92 I C 2.340 178.409 176.117 -0.080 0.000 1.078 92 I CA 1.065 62.319 61.300 -0.077 0.000 1.343 92 I CB -0.232 37.711 38.000 -0.095 0.000 1.046 92 I HN 0.041 nan 8.210 nan 0.000 0.405 93 K N 0.313 120.651 120.400 -0.103 0.000 2.044 93 K HA -0.154 4.165 4.320 -0.001 0.000 0.210 93 K C 1.988 178.534 176.600 -0.090 0.000 1.049 93 K CA 1.598 57.829 56.287 -0.092 0.000 0.927 93 K CB -0.541 31.891 32.500 -0.114 0.000 0.713 93 K HN 0.147 nan 8.250 nan 0.000 0.443 94 L N -0.716 120.410 121.223 -0.161 0.000 2.249 94 L HA -0.023 4.316 4.340 -0.001 0.000 0.207 94 L C 1.440 178.094 176.870 -0.359 0.000 1.090 94 L CA 1.751 56.414 54.840 -0.295 0.000 0.802 94 L CB -0.400 41.349 42.059 -0.517 0.000 0.947 94 L HN 0.311 nan 8.230 nan 0.000 0.453 95 H N -3.028 116.019 119.070 -0.038 0.000 3.091 95 H HA 0.199 4.754 4.556 -0.001 0.000 0.249 95 H C 0.480 175.762 175.328 -0.076 0.000 0.985 95 H CA -0.042 55.964 56.048 -0.071 0.000 1.177 95 H CB 0.404 30.098 29.762 -0.113 0.000 1.456 95 H HN 0.122 nan 8.280 nan 0.000 0.467 96 N N 1.818 120.531 118.700 0.021 0.000 2.678 96 N HA -0.106 4.634 4.740 -0.001 0.000 0.268 96 N C -2.653 172.822 175.510 -0.059 0.000 1.010 96 N CA -0.561 52.469 53.050 -0.034 0.000 0.784 96 N CB -0.120 38.349 38.487 -0.031 0.000 0.905 96 N HN 0.191 nan 8.380 nan 0.000 0.552 97 P HA 0.031 nan 4.420 nan 0.000 0.258 97 P C -1.795 175.393 177.300 -0.188 0.000 1.187 97 P CA -0.746 62.278 63.100 -0.127 0.000 0.767 97 P CB 0.423 32.040 31.700 -0.138 0.000 0.770 98 P HA -0.175 nan 4.420 nan 0.000 0.219 98 P C 1.237 178.264 177.300 -0.454 0.000 1.144 98 P CA 1.584 64.574 63.100 -0.183 0.000 0.806 98 P CB -0.168 31.479 31.700 -0.088 0.000 0.771 99 T N -1.085 113.126 114.554 -0.572 0.000 3.113 99 T HA 0.022 4.372 4.350 -0.001 0.000 0.256 99 T C 1.495 175.826 174.700 -0.615 0.000 1.131 99 T CA 0.109 61.651 62.100 -0.930 0.000 1.074 99 T CB -0.805 67.776 68.868 -0.478 0.000 0.944 99 T HN 0.176 nan 8.240 nan 0.000 0.516 100 I N -0.897 119.403 120.570 -0.451 0.000 2.163 100 I HA -0.193 3.976 4.170 -0.001 0.000 0.243 100 I C 1.765 177.703 176.117 -0.299 0.000 1.085 100 I CA 1.800 62.853 61.300 -0.412 0.000 1.347 100 I CB -0.623 37.035 38.000 -0.570 0.000 1.044 100 I HN 0.299 nan 8.210 nan 0.000 0.408 101 H N -1.117 117.916 119.070 -0.061 0.000 2.586 101 H HA 0.311 4.866 4.556 -0.001 0.000 0.273 101 H C -0.054 175.377 175.328 0.173 0.000 0.997 101 H CA -0.521 55.554 56.048 0.045 0.000 1.177 101 H CB 0.029 29.822 29.762 0.052 0.000 1.471 101 H HN 0.286 nan 8.280 nan 0.000 0.538 102 Y N 1.880 122.238 120.300 0.097 0.000 2.757 102 Y HA -0.046 4.504 4.550 -0.001 0.000 0.344 102 Y C -1.681 174.261 175.900 0.070 0.000 1.263 102 Y CA -2.377 55.768 58.100 0.076 0.000 1.493 102 Y CB -0.065 38.433 38.460 0.063 0.000 1.342 102 Y HN 0.070 nan 8.280 nan 0.000 0.627 103 P HA -0.113 nan 4.420 nan 0.000 0.266 103 P C -2.025 175.361 177.300 0.142 0.000 1.186 103 P CA -0.717 62.464 63.100 0.135 0.000 0.767 103 P CB 0.042 31.795 31.700 0.088 0.000 0.820 104 P HA -0.251 nan 4.420 nan 0.000 0.214 104 P C 1.549 178.894 177.300 0.076 0.000 1.172 104 P CA 2.318 65.457 63.100 0.065 0.000 0.925 104 P CB -0.497 31.229 31.700 0.043 0.000 0.793 105 S N -1.216 114.537 115.700 0.087 0.000 2.507 105 S HA -0.175 4.294 4.470 -0.001 0.000 0.235 105 S C 1.841 176.562 174.600 0.201 0.000 0.988 105 S CA 0.790 59.058 58.200 0.114 0.000 0.944 105 S CB -1.060 62.197 63.200 0.096 0.000 0.762 105 S HN 0.219 nan 8.310 nan 0.000 0.526 106 Q N 0.772 120.686 119.800 0.191 0.000 2.247 106 Q HA 0.347 4.687 4.340 -0.001 0.000 0.205 106 Q C 0.979 177.215 176.000 0.393 0.000 0.896 106 Q CA 0.353 56.308 55.803 0.254 0.000 0.950 106 Q CB -0.461 28.350 28.738 0.122 0.000 1.054 106 Q HN 0.753 nan 8.270 nan 0.000 0.482 107 G N 0.966 109.938 108.800 0.287 0.000 2.159 107 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.227 107 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.227 107 G C -0.115 174.847 174.900 0.102 0.000 0.986 107 G CA 0.135 45.355 45.100 0.200 0.000 0.651 107 G HN 0.506 nan 8.290 nan 0.000 0.523 108 Q N 0.320 120.185 119.800 0.110 0.000 2.310 108 Q HA 0.305 4.645 4.340 -0.001 0.000 0.315 108 Q C 1.036 177.006 176.000 -0.051 0.000 1.081 108 Q CA -0.004 55.819 55.803 0.034 0.000 0.981 108 Q CB 0.255 29.034 28.738 0.068 0.000 1.184 108 Q HN 0.501 nan 8.270 nan 0.000 0.389 109 M N 3.964 123.501 119.600 -0.106 0.000 2.269 109 M HA -0.030 4.449 4.480 -0.001 0.000 0.350 109 M C -0.710 175.550 176.300 -0.066 0.000 1.429 109 M CA 0.629 55.870 55.300 -0.099 0.000 1.063 109 M CB 0.306 32.832 32.600 -0.123 0.000 1.841 109 M HN 0.735 nan 8.290 nan 0.000 0.455 110 D N 4.074 124.439 120.400 -0.058 0.000 2.467 110 D HA 0.685 5.324 4.640 -0.001 0.000 0.245 110 D C -1.727 174.559 176.300 -0.023 0.000 1.038 110 D CA -0.434 53.544 54.000 -0.037 0.000 1.038 110 D CB 1.830 42.609 40.800 -0.035 0.000 1.278 110 D HN 0.674 nan 8.370 nan 0.000 0.564 111 L N 0.967 122.187 121.223 -0.005 0.000 2.455 111 L HA 0.550 4.890 4.340 -0.001 0.000 0.264 111 L C -1.569 175.319 176.870 0.029 0.000 0.968 111 L CA -0.519 54.335 54.840 0.023 0.000 0.827 111 L CB 1.576 43.651 42.059 0.027 0.000 1.317 111 L HN 0.630 nan 8.230 nan 0.000 0.407 112 C N 4.620 123.951 119.300 0.053 0.000 2.535 112 C HA 0.732 5.192 4.460 -0.001 0.000 0.319 112 C C -0.449 174.597 174.990 0.093 0.000 1.171 112 C CA -0.590 58.461 59.018 0.054 0.000 1.394 112 C CB 1.033 28.791 27.740 0.031 0.000 1.990 112 C HN 0.607 nan 8.230 nan 0.000 0.466 113 V N 5.788 125.756 119.914 0.089 0.000 2.614 113 V HA 0.477 4.596 4.120 -0.001 0.000 0.291 113 V C 1.123 177.279 176.094 0.104 0.000 1.049 113 V CA 0.579 62.952 62.300 0.123 0.000 1.038 113 V CB 1.304 33.187 31.823 0.101 0.000 0.980 113 V HN 1.071 nan 8.190 nan 0.000 0.481 114 T N 0.672 115.288 114.554 0.103 0.000 2.938 114 T HA 0.442 4.791 4.350 -0.001 0.000 0.285 114 T C 0.216 174.954 174.700 0.064 0.000 1.028 114 T CA -0.462 61.671 62.100 0.056 0.000 1.005 114 T CB 1.618 70.490 68.868 0.007 0.000 1.157 114 T HN 0.686 nan 8.240 nan 0.000 0.550 115 S N 0.569 116.290 115.700 0.034 0.000 3.363 115 S HA 0.537 5.006 4.470 -0.001 0.000 0.267 115 S C 0.801 175.420 174.600 0.032 0.000 1.288 115 S CA 0.188 58.412 58.200 0.040 0.000 0.948 115 S CB -1.641 61.573 63.200 0.023 0.000 1.397 115 S HN 1.938 nan 8.310 nan 0.000 0.493 116 G N 2.658 111.488 108.800 0.050 0.000 2.755 116 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.686 116 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.686 116 G C 0.628 175.524 174.900 -0.007 0.000 1.427 116 G CA -0.123 44.998 45.100 0.035 0.000 0.873 116 G HN 1.675 nan 8.290 nan 0.000 0.580 117 S N -0.481 115.193 115.700 -0.044 0.000 2.402 117 S HA -0.099 4.371 4.470 -0.001 0.000 0.229 117 S C 1.953 176.497 174.600 -0.094 0.000 1.021 117 S CA 1.915 60.052 58.200 -0.105 0.000 0.974 117 S CB -0.141 62.950 63.200 -0.182 0.000 0.800 117 S HN 0.784 nan 8.310 nan 0.000 0.484 118 Q N 0.530 120.300 119.800 -0.050 0.000 2.291 118 Q HA -0.101 4.238 4.340 -0.001 0.000 0.205 118 Q C 2.370 178.334 176.000 -0.060 0.000 0.970 118 Q CA 1.230 57.017 55.803 -0.027 0.000 0.876 118 Q CB -0.196 28.577 28.738 0.058 0.000 0.935 118 Q HN 0.813 nan 8.270 nan 0.000 0.455 119 Q N -0.040 119.726 119.800 -0.056 0.000 2.079 119 Q HA -0.127 4.212 4.340 -0.001 0.000 0.200 119 Q C 1.925 177.852 176.000 -0.121 0.000 0.974 119 Q CA 1.490 57.247 55.803 -0.076 0.000 0.840 119 Q CB -0.156 28.547 28.738 -0.059 0.000 0.898 119 Q HN 0.394 nan 8.270 nan 0.000 0.430 120 G N 0.794 109.522 108.800 -0.120 0.000 2.421 120 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.217 120 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.217 120 G C 1.347 176.113 174.900 -0.224 0.000 1.143 120 G CA 0.464 45.480 45.100 -0.141 0.000 0.784 120 G HN 0.279 nan 8.290 nan 0.000 0.541 121 L N -0.015 121.039 121.223 -0.281 0.000 2.017 121 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 121 L C 2.977 179.404 176.870 -0.740 0.000 1.073 121 L CA 1.238 55.756 54.840 -0.536 0.000 0.745 121 L CB -0.549 41.249 42.059 -0.435 0.000 0.894 121 L HN 0.338 nan 8.230 nan 0.000 0.432 122 C N 0.158 119.241 119.300 -0.361 0.000 2.413 122 C HA -0.210 4.249 4.460 -0.001 0.000 0.276 122 C C 2.821 177.740 174.990 -0.119 0.000 1.236 122 C CA 1.217 60.138 59.018 -0.162 0.000 1.735 122 C CB -0.680 27.032 27.740 -0.047 0.000 2.031 122 C HN 0.423 nan 8.230 nan 0.000 0.474 123 K N -0.267 120.039 120.400 -0.156 0.000 2.296 123 K HA -0.016 4.304 4.320 -0.001 0.000 0.200 123 K C 1.809 178.405 176.600 -0.007 0.000 1.048 123 K CA 0.847 57.090 56.287 -0.074 0.000 0.966 123 K CB -0.078 32.324 32.500 -0.164 0.000 0.754 123 K HN 0.416 nan 8.250 nan 0.000 0.466 124 V N 1.113 120.943 119.914 -0.140 0.000 2.358 124 V HA -0.220 3.899 4.120 -0.001 0.000 0.246 124 V C 1.910 178.032 176.094 0.046 0.000 1.047 124 V CA 1.705 63.935 62.300 -0.116 0.000 1.035 124 V CB -0.497 31.159 31.823 -0.279 0.000 0.658 124 V HN 0.247 nan 8.190 nan 0.000 0.452 125 F N 0.417 120.371 119.950 0.006 0.000 2.069 125 F HA -0.233 4.294 4.527 -0.001 0.000 0.298 125 F C 2.584 178.455 175.800 0.118 0.000 1.113 125 F CA 1.672 59.717 58.000 0.075 0.000 1.214 125 F CB -0.275 38.754 39.000 0.049 0.000 0.978 125 F HN 0.187 nan 8.300 nan 0.000 0.474 126 E N 0.286 120.665 120.200 0.299 0.000 2.077 126 E HA -0.286 4.063 4.350 -0.001 0.000 0.193 126 E C 2.096 178.806 176.600 0.184 0.000 0.989 126 E CA 1.459 57.991 56.400 0.220 0.000 0.800 126 E CB -0.268 29.583 29.700 0.251 0.000 0.746 126 E HN 0.421 nan 8.360 nan 0.000 0.452 127 M N 0.584 120.296 119.600 0.188 0.000 2.073 127 M HA -0.239 4.240 4.480 -0.001 0.000 0.258 127 M C 1.992 178.393 176.300 0.167 0.000 1.070 127 M CA 1.852 57.245 55.300 0.154 0.000 1.103 127 M CB -0.061 32.623 32.600 0.139 0.000 1.321 127 M HN 0.092 nan 8.290 nan 0.000 0.405 128 I N -0.347 120.360 120.570 0.228 0.000 2.400 128 I HA -0.038 4.131 4.170 -0.001 0.000 0.248 128 I C 0.550 176.799 176.117 0.220 0.000 1.109 128 I CA 0.295 61.759 61.300 0.274 0.000 1.425 128 I CB 0.104 38.359 38.000 0.426 0.000 1.094 128 I HN 0.162 nan 8.210 nan 0.000 0.425 129 I N 2.610 123.310 120.570 0.216 0.000 2.363 129 I HA 0.032 4.201 4.170 -0.001 0.000 0.292 129 I C -0.287 175.867 176.117 0.062 0.000 1.075 129 I CA -0.073 61.304 61.300 0.128 0.000 1.333 129 I CB -0.099 37.967 38.000 0.110 0.000 1.415 129 I HN 0.166 nan 8.210 nan 0.000 0.502 130 N N 8.392 127.109 118.700 0.030 0.000 2.530 130 N HA 0.302 5.041 4.740 -0.001 0.000 0.277 130 N C -2.439 173.062 175.510 -0.014 0.000 1.168 130 N CA -1.717 51.336 53.050 0.005 0.000 0.979 130 N CB 0.401 38.885 38.487 -0.005 0.000 1.141 130 N HN 0.180 nan 8.380 nan 0.000 0.459 131 P HA 0.085 nan 4.420 nan 0.000 0.265 131 P C 0.790 178.073 177.300 -0.027 0.000 1.193 131 P CA 0.634 63.718 63.100 -0.027 0.000 0.765 131 P CB 0.419 32.104 31.700 -0.025 0.000 0.823 132 G N 1.537 110.318 108.800 -0.033 0.000 2.176 132 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.253 132 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.253 132 G C 0.056 174.936 174.900 -0.033 0.000 0.979 132 G CA -0.247 44.838 45.100 -0.025 0.000 0.641 132 G HN 0.498 nan 8.290 nan 0.000 0.530 133 D N 1.237 121.603 120.400 -0.056 0.000 2.399 133 D HA 0.347 4.986 4.640 -0.001 0.000 0.241 133 D C 0.593 176.817 176.300 -0.126 0.000 1.133 133 D CA -0.005 53.942 54.000 -0.089 0.000 0.890 133 D CB 0.390 41.132 40.800 -0.097 0.000 1.201 133 D HN 0.265 nan 8.370 nan 0.000 0.432 134 N N 0.621 119.231 118.700 -0.151 0.000 2.473 134 N HA 0.408 5.147 4.740 -0.001 0.000 0.291 134 N C -0.667 174.644 175.510 -0.333 0.000 1.083 134 N CA -0.466 52.483 53.050 -0.170 0.000 0.951 134 N CB 1.876 40.332 38.487 -0.051 0.000 1.164 134 N HN 0.184 nan 8.380 nan 0.000 0.480 135 V N -0.794 118.904 119.914 -0.361 0.000 2.760 135 V HA 0.603 4.722 4.120 -0.001 0.000 0.309 135 V C -0.702 175.194 176.094 -0.330 0.000 1.077 135 V CA -1.062 60.893 62.300 -0.575 0.000 0.910 135 V CB 1.401 32.713 31.823 -0.852 0.000 1.008 135 V HN 0.382 nan 8.190 nan 0.000 0.424 136 L N 6.067 127.109 121.223 -0.301 0.000 2.307 136 L HA 0.860 5.199 4.340 -0.001 0.000 0.282 136 L C -0.147 176.729 176.870 0.010 0.000 1.051 136 L CA -0.490 54.258 54.840 -0.152 0.000 0.804 136 L CB 1.477 43.399 42.059 -0.229 0.000 1.197 136 L HN 0.869 nan 8.230 nan 0.000 0.431 137 L N 0.122 121.376 121.223 0.052 0.000 2.775 137 L HA 0.593 4.932 4.340 -0.001 0.000 0.263 137 L C -1.977 174.949 176.870 0.095 0.000 1.017 137 L CA -0.914 54.013 54.840 0.145 0.000 0.891 137 L CB 2.516 44.761 42.059 0.311 0.000 1.482 137 L HN 0.650 nan 8.230 nan 0.000 0.410 138 D N 0.429 120.889 120.400 0.100 0.000 2.225 138 D HA 0.355 4.995 4.640 -0.001 0.000 0.248 138 D C -0.804 175.511 176.300 0.026 0.000 1.096 138 D CA -0.228 53.806 54.000 0.056 0.000 0.863 138 D CB 2.231 43.058 40.800 0.044 0.000 1.156 138 D HN 0.638 nan 8.370 nan 0.000 0.450 139 E N 1.774 121.974 120.200 0.000 0.000 2.214 139 E HA 0.354 4.703 4.350 -0.001 0.000 0.274 139 E C -2.192 174.328 176.600 -0.134 0.000 0.977 139 E CA -1.985 54.352 56.400 -0.104 0.000 0.827 139 E CB 1.523 31.195 29.700 -0.047 0.000 1.130 139 E HN 0.359 nan 8.360 nan 0.000 0.394 140 P HA 0.121 nan 4.420 nan 0.000 0.271 140 P C -1.348 175.760 177.300 -0.321 0.000 1.218 140 P CA -0.235 62.497 63.100 -0.614 0.000 0.780 140 P CB 0.823 32.059 31.700 -0.773 0.000 0.901 141 A N 2.529 125.232 122.820 -0.195 0.000 2.401 141 A HA 0.396 4.716 4.320 -0.001 0.000 0.310 141 A C -0.960 176.729 177.584 0.175 0.000 1.075 141 A CA -0.949 51.100 52.037 0.020 0.000 0.746 141 A CB 0.554 19.589 19.000 0.058 0.000 1.277 141 A HN 0.606 nan 8.150 nan 0.000 0.425 142 Y N 2.528 122.900 120.300 0.120 0.000 2.916 142 Y HA -0.051 4.498 4.550 -0.001 0.000 0.344 142 Y C 1.600 177.605 175.900 0.176 0.000 1.282 142 Y CA 0.912 59.141 58.100 0.214 0.000 1.604 142 Y CB 0.698 39.274 38.460 0.194 0.000 1.207 142 Y HN 0.841 nan 8.280 nan 0.000 0.561 143 S N 3.270 118.865 115.700 -0.175 0.000 2.383 143 S HA -0.146 4.323 4.470 -0.001 0.000 0.227 143 S C 2.117 176.351 174.600 -0.610 0.000 1.026 143 S CA 0.725 58.680 58.200 -0.408 0.000 0.981 143 S CB -0.945 61.957 63.200 -0.497 0.000 0.818 143 S HN 0.974 nan 8.310 nan 0.000 0.472 144 G N 1.841 109.889 108.800 -1.253 0.000 2.513 144 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.219 144 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.219 144 G C 1.652 176.265 174.900 -0.478 0.000 1.160 144 G CA 1.867 46.396 45.100 -0.951 0.000 0.767 144 G HN 0.683 nan 8.290 nan 0.000 0.571 145 T N -0.311 113.983 114.554 -0.433 0.000 2.942 145 T HA 0.105 4.455 4.350 -0.001 0.000 0.265 145 T C 2.486 177.068 174.700 -0.197 0.000 1.062 145 T CA 0.894 62.928 62.100 -0.110 0.000 1.139 145 T CB -0.210 68.617 68.868 -0.070 0.000 0.883 145 T HN 0.208 nan 8.240 nan 0.000 0.468 146 L N 0.582 121.683 121.223 -0.204 0.000 2.013 146 L HA -0.140 4.199 4.340 -0.001 0.000 0.212 146 L C 3.254 180.061 176.870 -0.106 0.000 1.073 146 L CA 1.549 56.298 54.840 -0.153 0.000 0.753 146 L CB -0.669 41.310 42.059 -0.135 0.000 0.890 146 L HN 0.307 nan 8.230 nan 0.000 0.432 147 Q N -0.939 118.788 119.800 -0.122 0.000 2.172 147 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 147 Q C 2.432 178.429 176.000 -0.004 0.000 0.964 147 Q CA 1.392 57.166 55.803 -0.049 0.000 0.855 147 Q CB -0.269 28.420 28.738 -0.082 0.000 0.918 147 Q HN 0.366 nan 8.270 nan 0.000 0.444 148 S N 0.076 115.764 115.700 -0.021 0.000 2.402 148 S HA 0.020 4.490 4.470 -0.001 0.000 0.229 148 S C 1.831 176.415 174.600 -0.027 0.000 1.021 148 S CA 0.509 58.731 58.200 0.036 0.000 0.974 148 S CB 0.114 63.405 63.200 0.152 0.000 0.800 148 S HN 0.262 nan 8.310 nan 0.000 0.484 149 L N -0.030 121.115 121.223 -0.129 0.000 2.298 149 L HA 0.094 4.433 4.340 -0.001 0.000 0.209 149 L C 2.405 179.222 176.870 -0.088 0.000 1.084 149 L CA 0.778 55.493 54.840 -0.208 0.000 0.816 149 L CB -0.643 41.220 42.059 -0.327 0.000 0.967 149 L HN 0.477 nan 8.230 nan 0.000 0.460 150 H N 2.039 121.041 119.070 -0.115 0.000 2.265 150 H HA -0.170 4.385 4.556 -0.002 0.000 0.293 150 H C -0.673 174.623 175.328 -0.053 0.000 1.089 150 H CA 2.165 58.166 56.048 -0.078 0.000 1.244 150 H CB -0.890 28.832 29.762 -0.066 0.000 1.355 150 H HN 0.161 nan 8.280 nan 0.000 0.485 151 P HA -0.086 nan 4.420 nan 0.000 0.228 151 P C 1.360 178.547 177.300 -0.188 0.000 1.151 151 P CA 0.514 63.405 63.100 -0.349 0.000 0.770 151 P CB -0.070 31.529 31.700 -0.169 0.000 0.786 152 L N -0.969 120.181 121.223 -0.122 0.000 2.610 152 L HA 0.159 4.498 4.340 -0.001 0.000 0.232 152 L C 1.640 178.463 176.870 -0.078 0.000 1.149 152 L CA 1.262 56.060 54.840 -0.071 0.000 0.872 152 L CB -2.080 39.963 42.059 -0.028 0.000 0.992 152 L HN 0.154 nan 8.230 nan 0.000 0.447 153 G N 0.556 109.293 108.800 -0.105 0.000 2.249 153 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.273 153 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.273 153 G C 0.584 175.447 174.900 -0.061 0.000 1.036 153 G CA 0.463 45.519 45.100 -0.073 0.000 0.824 153 G HN 0.531 nan 8.290 nan 0.000 0.504 154 C N -1.419 117.835 119.300 -0.077 0.000 2.347 154 C HA 0.771 5.230 4.460 -0.001 0.000 0.366 154 C C 0.700 175.642 174.990 -0.079 0.000 1.241 154 C CA -1.559 57.402 59.018 -0.095 0.000 2.360 154 C CB 1.278 28.927 27.740 -0.152 0.000 2.290 154 C HN 0.547 nan 8.230 nan 0.000 0.587 155 N N 0.486 119.136 118.700 -0.084 0.000 2.425 155 N HA 0.419 5.158 4.740 -0.001 0.000 0.268 155 N C -1.024 174.432 175.510 -0.091 0.000 0.991 155 N CA -0.404 52.610 53.050 -0.060 0.000 0.931 155 N CB 0.558 39.028 38.487 -0.028 0.000 1.130 155 N HN 0.644 nan 8.380 nan 0.000 0.493 156 I N 5.070 125.596 120.570 -0.074 0.000 2.379 156 I HA 0.157 4.326 4.170 -0.001 0.000 0.290 156 I C 0.185 176.274 176.117 -0.046 0.000 1.063 156 I CA -0.097 61.156 61.300 -0.077 0.000 1.351 156 I CB 0.493 38.456 38.000 -0.062 0.000 1.410 156 I HN 0.338 nan 8.210 nan 0.000 0.505 157 I N 6.301 126.837 120.570 -0.056 0.000 2.315 157 I HA 0.157 4.326 4.170 -0.001 0.000 0.291 157 I C 0.240 176.347 176.117 -0.017 0.000 1.006 157 I CA -0.465 60.818 61.300 -0.029 0.000 1.265 157 I CB 0.945 38.931 38.000 -0.023 0.000 1.387 157 I HN 0.516 nan 8.210 nan 0.000 0.475 158 N N 6.323 125.027 118.700 0.007 0.000 2.411 158 N HA 0.195 4.935 4.740 -0.001 0.000 0.259 158 N C -0.660 174.865 175.510 0.026 0.000 1.103 158 N CA -0.233 52.833 53.050 0.026 0.000 0.954 158 N CB 0.858 39.376 38.487 0.052 0.000 1.085 158 N HN 0.276 nan 8.380 nan 0.000 0.485 159 V N 2.151 122.081 119.914 0.027 0.000 2.775 159 V HA 0.435 4.555 4.120 -0.001 0.000 0.299 159 V C 1.028 177.150 176.094 0.047 0.000 1.062 159 V CA -1.115 61.203 62.300 0.031 0.000 1.063 159 V CB 0.657 32.501 31.823 0.035 0.000 0.994 159 V HN 0.799 nan 8.190 nan 0.000 0.483 160 A N 3.788 126.638 122.820 0.050 0.000 2.445 160 A HA 0.561 4.880 4.320 -0.001 0.000 0.242 160 A C 0.526 178.146 177.584 0.060 0.000 1.075 160 A CA 0.287 52.360 52.037 0.061 0.000 0.777 160 A CB 0.083 19.118 19.000 0.058 0.000 1.013 160 A HN 1.359 nan 8.150 nan 0.000 0.493 161 S N 1.138 116.877 115.700 0.064 0.000 2.547 161 S HA 0.671 5.140 4.470 -0.001 0.000 0.281 161 S C -0.932 173.703 174.600 0.058 0.000 1.118 161 S CA -0.400 57.832 58.200 0.052 0.000 0.947 161 S CB 1.825 65.046 63.200 0.035 0.000 1.053 161 S HN 0.845 nan 8.310 nan 0.000 0.482 162 D N 1.469 121.891 120.400 0.037 0.000 2.668 162 D HA 0.377 5.016 4.640 -0.001 0.000 0.249 162 D C 0.550 176.824 176.300 -0.042 0.000 1.150 162 D CA -0.695 53.318 54.000 0.023 0.000 1.090 162 D CB -0.323 40.491 40.800 0.024 0.000 1.244 162 D HN 0.413 nan 8.370 nan 0.000 0.636 163 E N -0.737 119.369 120.200 -0.156 0.000 2.401 163 E HA 0.005 4.354 4.350 -0.001 0.000 0.199 163 E C 0.874 177.399 176.600 -0.125 0.000 1.023 163 E CA 0.936 57.168 56.400 -0.280 0.000 0.859 163 E CB -0.237 29.131 29.700 -0.553 0.000 0.780 163 E HN 0.261 nan 8.360 nan 0.000 0.523 164 S N -0.408 115.252 115.700 -0.066 0.000 2.554 164 S HA 0.467 4.936 4.470 -0.001 0.000 0.226 164 S C 0.690 175.281 174.600 -0.014 0.000 0.980 164 S CA 0.028 58.209 58.200 -0.033 0.000 0.939 164 S CB 0.675 63.865 63.200 -0.017 0.000 0.832 164 S HN 0.489 nan 8.310 nan 0.000 0.486 165 G N 2.364 111.158 108.800 -0.011 0.000 2.451 165 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.208 165 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.208 165 G C -0.404 174.514 174.900 0.031 0.000 1.248 165 G CA -0.571 44.533 45.100 0.007 0.000 0.989 165 G HN 0.711 nan 8.290 nan 0.000 0.559 166 I N -0.645 119.957 120.570 0.054 0.000 2.648 166 I HA 0.537 4.706 4.170 -0.001 0.000 0.284 166 I C 0.664 176.824 176.117 0.071 0.000 1.153 166 I CA -0.619 60.721 61.300 0.067 0.000 1.426 166 I CB 0.995 39.046 38.000 0.084 0.000 1.381 166 I HN 0.566 nan 8.210 nan 0.000 0.571 167 V N 8.305 128.257 119.914 0.063 0.000 2.427 167 V HA 0.164 4.283 4.120 -0.001 0.000 0.268 167 V C -1.253 174.884 176.094 0.072 0.000 1.046 167 V CA -0.875 61.462 62.300 0.062 0.000 0.970 167 V CB 0.521 32.377 31.823 0.054 0.000 1.001 167 V HN 0.773 nan 8.190 nan 0.000 0.476 168 P HA -0.139 nan 4.420 nan 0.000 0.215 168 P C 1.147 178.497 177.300 0.082 0.000 1.157 168 P CA 1.196 64.353 63.100 0.094 0.000 0.874 168 P CB 0.237 31.996 31.700 0.098 0.000 0.790 169 D N -1.183 119.258 120.400 0.069 0.000 2.158 169 D HA -0.157 4.482 4.640 -0.001 0.000 0.197 169 D C 2.093 178.425 176.300 0.054 0.000 0.995 169 D CA 1.480 55.517 54.000 0.061 0.000 0.846 169 D CB -0.860 39.971 40.800 0.052 0.000 0.941 169 D HN 0.139 nan 8.370 nan 0.000 0.456 170 S N -0.309 115.422 115.700 0.051 0.000 2.368 170 S HA -0.122 4.347 4.470 -0.001 0.000 0.224 170 S C 1.903 176.523 174.600 0.034 0.000 1.029 170 S CA 0.520 58.745 58.200 0.041 0.000 0.988 170 S CB -0.290 62.936 63.200 0.044 0.000 0.838 170 S HN 0.162 nan 8.310 nan 0.000 0.462 171 L N 2.274 123.524 121.223 0.045 0.000 1.994 171 L HA 0.028 4.367 4.340 -0.001 0.000 0.208 171 L C 2.585 179.476 176.870 0.036 0.000 1.071 171 L CA 2.268 57.132 54.840 0.040 0.000 0.745 171 L CB -0.976 41.128 42.059 0.075 0.000 0.892 171 L HN 0.360 nan 8.230 nan 0.000 0.431 172 R N -0.567 119.975 120.500 0.070 0.000 2.113 172 R HA -0.244 4.095 4.340 -0.001 0.000 0.244 172 R C 1.924 178.251 176.300 0.045 0.000 1.142 172 R CA 2.361 58.510 56.100 0.082 0.000 0.953 172 R CB -0.453 29.908 30.300 0.103 0.000 0.860 172 R HN 0.454 nan 8.270 nan 0.000 0.438 173 D N -0.082 120.339 120.400 0.034 0.000 2.117 173 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 173 D C 1.832 178.123 176.300 -0.015 0.000 0.987 173 D CA 1.388 55.398 54.000 0.016 0.000 0.829 173 D CB -0.090 40.720 40.800 0.016 0.000 0.961 173 D HN 0.331 nan 8.370 nan 0.000 0.460 174 I N 0.109 120.666 120.570 -0.021 0.000 2.394 174 I HA -0.179 3.990 4.170 -0.001 0.000 0.251 174 I C 2.111 178.199 176.117 -0.049 0.000 1.136 174 I CA 0.650 61.926 61.300 -0.040 0.000 1.425 174 I CB -0.050 37.937 38.000 -0.022 0.000 1.079 174 I HN -0.004 nan 8.210 nan 0.000 0.425 175 L N 0.116 121.291 121.223 -0.080 0.000 2.217 175 L HA -0.119 4.220 4.340 -0.001 0.000 0.211 175 L C 2.704 179.526 176.870 -0.079 0.000 1.107 175 L CA 1.102 55.819 54.840 -0.205 0.000 0.783 175 L CB -0.571 41.041 42.059 -0.746 0.000 0.919 175 L HN 0.356 nan 8.230 nan 0.000 0.442 176 S N 0.785 116.482 115.700 -0.005 0.000 2.419 176 S HA -0.249 4.220 4.470 -0.001 0.000 0.235 176 S C 1.986 176.583 174.600 -0.006 0.000 1.019 176 S CA 1.099 59.349 58.200 0.083 0.000 0.982 176 S CB -0.600 62.633 63.200 0.054 0.000 0.789 176 S HN 0.573 nan 8.310 nan 0.000 0.490 177 R N 0.023 120.398 120.500 -0.208 0.000 2.293 177 R HA -0.001 4.338 4.340 -0.001 0.000 0.219 177 R C -0.309 175.686 176.300 -0.509 0.000 1.091 177 R CA 0.515 56.363 56.100 -0.420 0.000 1.004 177 R CB -0.390 29.533 30.300 -0.629 0.000 0.865 177 R HN 0.601 nan 8.270 nan 0.000 0.469 178 W N 0.438 121.775 121.300 0.061 0.000 2.762 178 W HA 0.541 5.200 4.660 -0.002 0.000 0.355 178 W C -0.203 176.452 176.519 0.228 0.000 1.124 178 W CA -1.311 56.109 57.345 0.125 0.000 1.141 178 W CB 0.773 30.329 29.460 0.160 0.000 1.432 178 W HN -0.353 nan 8.180 nan 0.000 0.586 179 K N 0.752 121.424 120.400 0.454 0.000 2.238 179 K HA 0.485 4.804 4.320 -0.001 0.000 0.239 179 K C -1.873 174.861 176.600 0.224 0.000 0.987 179 K CA -2.260 54.218 56.287 0.319 0.000 0.857 179 K CB 1.327 33.921 32.500 0.155 0.000 1.154 179 K HN -0.110 nan 8.250 nan 0.000 0.439 180 P HA -0.259 nan 4.420 nan 0.000 0.214 180 P C 0.527 177.795 177.300 -0.053 0.000 1.169 180 P CA 1.564 64.523 63.100 -0.235 0.000 0.908 180 P CB 0.087 31.607 31.700 -0.301 0.000 0.791 181 E N -0.225 119.959 120.200 -0.026 0.000 2.331 181 E HA -0.236 4.113 4.350 -0.001 0.000 0.199 181 E C 0.945 177.559 176.600 0.022 0.000 1.008 181 E CA 1.415 57.810 56.400 -0.008 0.000 0.843 181 E CB -1.136 28.561 29.700 -0.004 0.000 0.761 181 E HN 0.240 nan 8.360 nan 0.000 0.507 182 D N 1.688 122.130 120.400 0.070 0.000 2.263 182 D HA -0.060 4.579 4.640 -0.001 0.000 0.208 182 D C 1.824 178.135 176.300 0.018 0.000 0.971 182 D CA 1.557 55.611 54.000 0.089 0.000 0.867 182 D CB -0.232 40.697 40.800 0.215 0.000 0.929 182 D HN 0.408 nan 8.370 nan 0.000 0.492 183 A N 0.297 123.118 122.820 0.001 0.000 2.125 183 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 183 A C 1.738 179.287 177.584 -0.058 0.000 1.156 183 A CA 1.190 53.206 52.037 -0.036 0.000 0.671 183 A CB -0.160 18.840 19.000 -0.000 0.000 0.794 183 A HN 0.179 nan 8.150 nan 0.000 0.459 184 K N -0.528 119.846 120.400 -0.042 0.000 2.358 184 K HA 0.098 4.417 4.320 -0.001 0.000 0.197 184 K C 0.139 176.714 176.600 -0.042 0.000 1.025 184 K CA -0.137 56.120 56.287 -0.050 0.000 1.104 184 K CB 0.326 32.803 32.500 -0.038 0.000 0.855 184 K HN 0.262 nan 8.250 nan 0.000 0.531 185 N N 1.577 120.258 118.700 -0.032 0.000 2.558 185 N HA 0.150 4.889 4.740 -0.001 0.000 0.242 185 N C -2.228 173.266 175.510 -0.026 0.000 0.979 185 N CA -2.274 50.766 53.050 -0.017 0.000 0.931 185 N CB 1.227 39.720 38.487 0.009 0.000 1.122 185 N HN -0.221 nan 8.380 nan 0.000 0.508 186 P HA -0.233 nan 4.420 nan 0.000 0.223 186 P C -0.605 176.662 177.300 -0.056 0.000 1.073 186 P CA 1.813 64.882 63.100 -0.051 0.000 1.008 186 P CB 0.209 31.888 31.700 -0.036 0.000 0.760 187 Q N -1.846 117.936 119.800 -0.029 0.000 2.444 187 Q HA 0.161 4.501 4.340 -0.001 0.000 0.251 187 Q C 0.073 176.090 176.000 0.029 0.000 0.939 187 Q CA -0.332 55.459 55.803 -0.021 0.000 0.740 187 Q CB 1.670 30.391 28.738 -0.029 0.000 1.308 187 Q HN 0.239 nan 8.270 nan 0.000 0.461 188 K N 0.890 121.324 120.400 0.057 0.000 2.505 188 K HA 0.035 4.354 4.320 -0.001 0.000 0.192 188 K C -0.186 176.550 176.600 0.227 0.000 1.025 188 K CA -0.134 56.246 56.287 0.156 0.000 1.086 188 K CB 0.056 32.675 32.500 0.199 0.000 0.840 188 K HN 0.530 nan 8.250 nan 0.000 0.514 189 N N 1.448 120.156 118.700 0.013 0.000 2.932 189 N HA -0.108 4.631 4.740 -0.001 0.000 0.247 189 N C -0.950 174.265 175.510 -0.492 0.000 1.101 189 N CA 0.759 53.762 53.050 -0.078 0.000 0.672 189 N CB -1.266 37.293 38.487 0.120 0.000 0.985 189 N HN 0.377 nan 8.380 nan 0.000 0.561 190 T N -2.136 112.042 114.554 -0.626 0.000 2.899 190 T HA 0.524 4.873 4.350 -0.001 0.000 0.295 190 T C -2.414 171.923 174.700 -0.605 0.000 1.033 190 T CA -1.502 59.979 62.100 -1.031 0.000 1.084 190 T CB 1.377 69.825 68.868 -0.700 0.000 0.979 190 T HN -0.078 nan 8.240 nan 0.000 0.532 191 P HA 0.106 nan 4.420 nan 0.000 0.260 191 P C 0.248 177.429 177.300 -0.199 0.000 1.172 191 P CA -0.064 62.790 63.100 -0.410 0.000 0.760 191 P CB 0.366 31.742 31.700 -0.541 0.000 0.773 192 K N 3.310 123.606 120.400 -0.174 0.000 2.217 192 K HA 0.078 4.398 4.320 -0.001 0.000 0.202 192 K C 0.554 177.327 176.600 0.289 0.000 1.051 192 K CA 1.130 57.486 56.287 0.114 0.000 0.952 192 K CB -0.226 32.338 32.500 0.107 0.000 0.736 192 K HN 0.605 nan 8.250 nan 0.000 0.453 193 F N -3.087 116.879 119.950 0.027 0.000 2.770 193 F HA 0.441 4.968 4.527 -0.000 0.000 0.313 193 F C -1.760 173.940 175.800 -0.166 0.000 1.154 193 F CA -1.926 56.090 58.000 0.027 0.000 0.923 193 F CB 0.773 39.841 39.000 0.113 0.000 1.301 193 F HN -0.293 nan 8.300 nan 0.000 0.449 194 L N 2.688 124.078 121.223 0.278 0.000 2.329 194 L HA 0.624 4.963 4.340 -0.001 0.000 0.279 194 L C -1.716 175.400 176.870 0.410 0.000 1.014 194 L CA -0.777 54.173 54.840 0.183 0.000 0.814 194 L CB 1.642 43.710 42.059 0.014 0.000 1.257 194 L HN 0.747 nan 8.230 nan 0.000 0.424 195 Y N 3.808 124.286 120.300 0.298 0.000 2.352 195 Y HA 0.714 5.263 4.550 -0.001 0.000 0.339 195 Y C -0.454 175.534 175.900 0.146 0.000 0.992 195 Y CA -0.066 58.165 58.100 0.219 0.000 1.100 195 Y CB 1.657 40.310 38.460 0.321 0.000 1.192 195 Y HN 0.835 nan 8.280 nan 0.000 0.458 196 T N 4.274 118.504 114.554 -0.540 0.000 2.792 196 T HA 0.519 4.869 4.350 -0.001 0.000 0.303 196 T C -2.001 172.394 174.700 -0.508 0.000 1.310 196 T CA -0.595 61.263 62.100 -0.404 0.000 1.007 196 T CB 1.116 69.970 68.868 -0.024 0.000 1.335 196 T HN 0.384 nan 8.240 nan 0.000 0.504 197 V N 4.556 124.327 119.914 -0.239 0.000 2.294 197 V HA 0.333 4.452 4.120 -0.001 0.000 0.272 197 V C -1.755 174.321 176.094 -0.029 0.000 1.027 197 V CA -1.427 60.812 62.300 -0.102 0.000 0.823 197 V CB 1.254 33.080 31.823 0.004 0.000 1.030 197 V HN 0.725 nan 8.190 nan 0.000 0.457 198 P HA 0.044 nan 4.420 nan 0.000 0.221 198 P C 0.092 177.366 177.300 -0.043 0.000 1.155 198 P CA 0.734 63.816 63.100 -0.030 0.000 0.812 198 P CB 0.350 31.998 31.700 -0.087 0.000 0.801 199 N N -0.038 118.652 118.700 -0.017 0.000 2.372 199 N HA 0.351 5.090 4.740 -0.001 0.000 0.285 199 N C 0.323 175.821 175.510 -0.020 0.000 1.008 199 N CA -0.247 52.784 53.050 -0.032 0.000 0.880 199 N CB 1.423 39.887 38.487 -0.038 0.000 1.239 199 N HN 0.003 nan 8.380 nan 0.000 0.484 200 G N 1.888 110.627 108.800 -0.102 0.000 2.350 200 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.298 200 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.298 200 G C 0.174 174.950 174.900 -0.207 0.000 1.037 200 G CA -0.050 44.925 45.100 -0.209 0.000 1.074 200 G HN 0.822 nan 8.290 nan 0.000 0.511 201 N N -0.009 118.623 118.700 -0.113 0.000 2.357 201 N HA -0.056 4.683 4.740 -0.001 0.000 0.257 201 N C 0.271 175.669 175.510 -0.187 0.000 1.250 201 N CA 0.015 53.003 53.050 -0.104 0.000 0.862 201 N CB 0.176 38.589 38.487 -0.124 0.000 1.066 201 N HN 0.310 nan 8.380 nan 0.000 0.468 202 N N 5.139 123.768 118.700 -0.118 0.000 2.807 202 N HA 0.173 4.913 4.740 -0.001 0.000 0.259 202 N C -2.073 173.126 175.510 -0.519 0.000 1.149 202 N CA -2.015 50.872 53.050 -0.271 0.000 1.042 202 N CB 0.693 39.145 38.487 -0.058 0.000 1.367 202 N HN 0.508 nan 8.380 nan 0.000 0.516 203 P HA 0.106 nan 4.420 nan 0.000 0.266 203 P C 0.902 177.715 177.300 -0.812 0.000 1.087 203 P CA 0.409 62.769 63.100 -1.233 0.000 1.066 203 P CB 0.209 30.560 31.700 -2.248 0.000 1.154 204 T N -3.825 110.250 114.554 -0.798 0.000 3.055 204 T HA 0.228 4.578 4.350 -0.001 0.000 0.265 204 T C 1.668 176.358 174.700 -0.017 0.000 1.111 204 T CA 1.253 63.033 62.100 -0.533 0.000 1.118 204 T CB -1.225 67.394 68.868 -0.416 0.000 0.909 204 T HN 0.213 nan 8.240 nan 0.000 0.501 205 G N 1.390 110.155 108.800 -0.059 0.000 2.159 205 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.256 205 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.256 205 G C -0.113 174.804 174.900 0.029 0.000 0.977 205 G CA 0.067 45.192 45.100 0.041 0.000 0.652 205 G HN 0.712 nan 8.290 nan 0.000 0.531 206 N N 0.013 118.707 118.700 -0.010 0.000 2.483 206 N HA 0.625 5.364 4.740 -0.001 0.000 0.269 206 N C -0.283 175.205 175.510 -0.037 0.000 1.209 206 N CA 0.208 53.250 53.050 -0.012 0.000 0.969 206 N CB 0.989 39.461 38.487 -0.024 0.000 1.173 206 N HN 0.165 nan 8.380 nan 0.000 0.475 207 S N 0.509 116.190 115.700 -0.032 0.000 2.540 207 S HA 0.338 4.807 4.470 -0.001 0.000 0.275 207 S C -0.584 173.993 174.600 -0.038 0.000 1.123 207 S CA -0.722 57.453 58.200 -0.042 0.000 0.907 207 S CB 1.224 64.393 63.200 -0.052 0.000 1.081 207 S HN 0.296 nan 8.310 nan 0.000 0.476 208 L N 2.810 124.005 121.223 -0.046 0.000 2.456 208 L HA 0.243 4.582 4.340 -0.001 0.000 0.272 208 L C 0.920 177.752 176.870 -0.064 0.000 1.189 208 L CA 0.064 54.876 54.840 -0.047 0.000 0.846 208 L CB 0.608 42.630 42.059 -0.062 0.000 1.111 208 L HN 0.765 nan 8.230 nan 0.000 0.475 209 T N -0.936 113.593 114.554 -0.042 0.000 2.913 209 T HA 0.078 4.427 4.350 -0.001 0.000 0.287 209 T C 1.158 175.824 174.700 -0.056 0.000 1.008 209 T CA -0.237 61.840 62.100 -0.039 0.000 1.067 209 T CB 1.599 70.458 68.868 -0.016 0.000 0.996 209 T HN 0.634 nan 8.240 nan 0.000 0.513 210 S N 1.014 116.681 115.700 -0.054 0.000 2.389 210 S HA -0.266 4.203 4.470 -0.001 0.000 0.231 210 S C 1.684 176.265 174.600 -0.032 0.000 1.052 210 S CA 2.205 60.369 58.200 -0.059 0.000 1.053 210 S CB -0.621 62.552 63.200 -0.045 0.000 0.886 210 S HN 0.820 nan 8.310 nan 0.000 0.456 211 E N 0.491 120.685 120.200 -0.010 0.000 2.107 211 E HA 0.025 4.375 4.350 -0.001 0.000 0.191 211 E C 2.446 179.070 176.600 0.040 0.000 0.982 211 E CA 0.875 57.283 56.400 0.014 0.000 0.809 211 E CB -0.174 29.534 29.700 0.014 0.000 0.756 211 E HN 0.491 nan 8.360 nan 0.000 0.459 212 R N 0.774 121.296 120.500 0.036 0.000 2.075 212 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 212 R C 2.095 178.476 176.300 0.134 0.000 1.126 212 R CA 1.237 57.382 56.100 0.075 0.000 0.963 212 R CB -0.123 30.214 30.300 0.062 0.000 0.858 212 R HN 0.085 nan 8.270 nan 0.000 0.435 213 K N 0.823 121.277 120.400 0.090 0.000 2.044 213 K HA -0.198 4.121 4.320 -0.001 0.000 0.210 213 K C 2.023 178.795 176.600 0.287 0.000 1.049 213 K CA 1.738 58.139 56.287 0.191 0.000 0.927 213 K CB -0.088 32.291 32.500 -0.203 0.000 0.713 213 K HN 0.084 nan 8.250 nan 0.000 0.443 214 K N 0.979 121.469 120.400 0.150 0.000 2.097 214 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 214 K C 2.075 178.795 176.600 0.199 0.000 1.049 214 K CA 1.408 57.787 56.287 0.154 0.000 0.933 214 K CB -0.003 32.542 32.500 0.074 0.000 0.717 214 K HN 0.210 nan 8.250 nan 0.000 0.442 215 E N 0.560 120.860 120.200 0.166 0.000 2.031 215 E HA -0.168 4.181 4.350 -0.001 0.000 0.193 215 E C 2.034 178.743 176.600 0.181 0.000 0.994 215 E CA 0.960 57.451 56.400 0.152 0.000 0.800 215 E CB -0.014 29.762 29.700 0.126 0.000 0.752 215 E HN 0.175 nan 8.360 nan 0.000 0.447 216 I N 0.522 121.229 120.570 0.228 0.000 2.118 216 I HA -0.311 3.858 4.170 -0.001 0.000 0.241 216 I C 2.401 178.623 176.117 0.174 0.000 1.070 216 I CA 1.551 62.992 61.300 0.236 0.000 1.327 216 I CB -0.993 37.205 38.000 0.330 0.000 1.034 216 I HN 0.228 nan 8.210 nan 0.000 0.405 217 Y N 1.709 122.083 120.300 0.123 0.000 2.165 217 Y HA -0.271 4.279 4.550 -0.001 0.000 0.286 217 Y C 2.694 178.580 175.900 -0.024 0.000 1.155 217 Y CA 2.029 60.146 58.100 0.028 0.000 1.164 217 Y CB -0.206 38.320 38.460 0.110 0.000 0.978 217 Y HN 0.205 nan 8.280 nan 0.000 0.513 218 E N -0.585 119.714 120.200 0.166 0.000 2.085 218 E HA -0.229 4.120 4.350 -0.001 0.000 0.194 218 E C 2.019 178.596 176.600 -0.037 0.000 0.994 218 E CA 1.093 57.532 56.400 0.065 0.000 0.801 218 E CB -0.201 29.565 29.700 0.109 0.000 0.743 218 E HN 0.311 nan 8.360 nan 0.000 0.453 219 L N 0.481 121.714 121.223 0.016 0.000 2.012 219 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 219 L C 2.363 179.126 176.870 -0.178 0.000 1.073 219 L CA 1.930 56.817 54.840 0.079 0.000 0.748 219 L CB -1.480 40.706 42.059 0.211 0.000 0.891 219 L HN 0.104 nan 8.230 nan 0.000 0.431 220 A N -0.748 121.730 122.820 -0.570 0.000 1.883 220 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 220 A C 2.490 179.499 177.584 -0.959 0.000 1.186 220 A CA 1.777 52.934 52.037 -1.467 0.000 0.624 220 A CB -0.542 17.806 19.000 -1.085 0.000 0.822 220 A HN 0.335 nan 8.150 nan 0.000 0.444 221 R N -0.456 119.644 120.500 -0.668 0.000 2.132 221 R HA -0.246 4.093 4.340 -0.001 0.000 0.233 221 R C 2.399 178.513 176.300 -0.310 0.000 1.125 221 R CA 2.325 58.174 56.100 -0.418 0.000 0.914 221 R CB -0.372 29.782 30.300 -0.245 0.000 0.845 221 R HN 0.596 nan 8.270 nan 0.000 0.431 222 K N -0.741 119.512 120.400 -0.245 0.000 2.077 222 K HA -0.234 4.085 4.320 -0.001 0.000 0.213 222 K C 1.311 177.690 176.600 -0.368 0.000 1.051 222 K CA 2.129 58.253 56.287 -0.271 0.000 0.929 222 K CB -0.171 32.196 32.500 -0.221 0.000 0.715 222 K HN 0.302 nan 8.250 nan 0.000 0.451 223 Y N 0.359 120.549 120.300 -0.183 0.000 2.485 223 Y HA 0.102 4.651 4.550 -0.001 0.000 0.260 223 Y C -0.329 175.513 175.900 -0.096 0.000 1.173 223 Y CA -0.008 58.061 58.100 -0.050 0.000 1.252 223 Y CB 0.325 38.894 38.460 0.181 0.000 1.123 223 Y HN 0.242 nan 8.280 nan 0.000 0.524 224 D N 1.227 121.531 120.400 -0.159 0.000 2.802 224 D HA -0.253 4.386 4.640 -0.001 0.000 0.229 224 D C -0.831 175.502 176.300 0.055 0.000 1.203 224 D CA 0.766 54.694 54.000 -0.120 0.000 0.712 224 D CB -1.234 39.560 40.800 -0.010 0.000 0.973 224 D HN 0.319 nan 8.370 nan 0.000 0.407 225 F N -0.922 119.041 119.950 0.022 0.000 2.618 225 F HA 0.754 5.281 4.527 -0.001 0.000 0.332 225 F C -0.439 175.270 175.800 -0.152 0.000 1.061 225 F CA -1.761 56.259 58.000 0.034 0.000 0.974 225 F CB 0.416 39.441 39.000 0.040 0.000 1.310 225 F HN -0.096 nan 8.300 nan 0.000 0.491 226 L N 1.715 123.024 121.223 0.144 0.000 2.421 226 L HA 0.514 4.853 4.340 -0.001 0.000 0.263 226 L C -0.379 176.600 176.870 0.183 0.000 1.122 226 L CA -0.859 53.958 54.840 -0.039 0.000 0.804 226 L CB 1.170 43.137 42.059 -0.153 0.000 1.150 226 L HN 0.608 nan 8.230 nan 0.000 0.457 227 I N 3.242 123.808 120.570 -0.008 0.000 2.418 227 I HA 0.331 4.500 4.170 -0.001 0.000 0.287 227 I C -0.673 175.379 176.117 -0.108 0.000 1.008 227 I CA -0.737 60.523 61.300 -0.067 0.000 1.104 227 I CB 1.878 39.689 38.000 -0.314 0.000 1.264 227 I HN 0.456 nan 8.210 nan 0.000 0.438 228 I N 4.962 125.485 120.570 -0.079 0.000 2.330 228 I HA 0.374 4.544 4.170 -0.001 0.000 0.289 228 I C -0.051 175.990 176.117 -0.127 0.000 1.001 228 I CA 0.047 61.278 61.300 -0.115 0.000 1.193 228 I CB 1.329 39.219 38.000 -0.184 0.000 1.345 228 I HN 0.608 nan 8.210 nan 0.000 0.461 229 E N 5.513 125.654 120.200 -0.099 0.000 1.998 229 E HA 0.130 4.480 4.350 -0.001 0.000 0.257 229 E C -0.883 175.643 176.600 -0.122 0.000 1.038 229 E CA -0.576 55.798 56.400 -0.044 0.000 0.869 229 E CB 0.369 30.144 29.700 0.125 0.000 1.135 229 E HN 0.698 nan 8.360 nan 0.000 0.430 230 D N 3.784 124.064 120.400 -0.200 0.000 2.367 230 D HA 0.012 4.651 4.640 -0.001 0.000 0.255 230 D C -0.896 175.322 176.300 -0.138 0.000 1.300 230 D CA -0.004 53.902 54.000 -0.156 0.000 0.959 230 D CB 0.548 41.271 40.800 -0.128 0.000 1.064 230 D HN 0.324 nan 8.370 nan 0.000 0.509 231 D N 4.232 124.537 120.400 -0.158 0.000 3.018 231 D HA 0.165 4.804 4.640 -0.001 0.000 0.331 231 D C -1.727 174.484 176.300 -0.148 0.000 1.334 231 D CA -1.584 52.343 54.000 -0.123 0.000 0.900 231 D CB 1.048 41.763 40.800 -0.142 0.000 1.059 231 D HN 0.290 nan 8.370 nan 0.000 0.498 232 P HA -0.065 nan 4.420 nan 0.000 0.233 232 P C 0.388 177.409 177.300 -0.465 0.000 1.167 232 P CA 0.503 63.354 63.100 -0.415 0.000 0.770 232 P CB 0.073 31.386 31.700 -0.645 0.000 0.837 233 Y N -2.965 117.302 120.300 -0.055 0.000 2.660 233 Y HA 0.180 4.729 4.550 -0.001 0.000 0.254 233 Y C 2.088 177.922 175.900 -0.110 0.000 1.176 233 Y CA -0.821 57.215 58.100 -0.106 0.000 1.195 233 Y CB -0.466 37.894 38.460 -0.167 0.000 1.190 233 Y HN -0.190 nan 8.280 nan 0.000 0.535 234 Y N 0.288 120.525 120.300 -0.105 0.000 2.151 234 Y HA -0.283 4.267 4.550 -0.001 0.000 0.284 234 Y C 0.882 176.637 175.900 -0.241 0.000 1.166 234 Y CA 1.641 59.605 58.100 -0.228 0.000 1.163 234 Y CB -0.418 37.811 38.460 -0.385 0.000 0.974 234 Y HN 0.113 nan 8.280 nan 0.000 0.511 235 F N -0.132 119.803 119.950 -0.024 0.000 2.757 235 F HA 0.231 4.757 4.527 -0.001 0.000 0.292 235 F C 0.103 175.807 175.800 -0.161 0.000 1.204 235 F CA 0.142 58.071 58.000 -0.117 0.000 1.417 235 F CB 0.005 39.049 39.000 0.072 0.000 1.001 235 F HN 0.009 nan 8.300 nan 0.000 0.508 236 L N 0.523 121.686 121.223 -0.101 0.000 3.165 236 L HA 0.295 4.635 4.340 -0.001 0.000 0.327 236 L C -0.381 176.209 176.870 -0.465 0.000 1.294 236 L CA 0.083 54.801 54.840 -0.204 0.000 0.838 236 L CB 0.133 42.078 42.059 -0.190 0.000 1.274 236 L HN 0.021 nan 8.230 nan 0.000 0.590 237 Q N -0.865 118.705 119.800 -0.383 0.000 2.241 237 Q HA 0.351 4.690 4.340 -0.001 0.000 0.254 237 Q C 0.393 176.237 176.000 -0.259 0.000 0.917 237 Q CA -0.276 55.279 55.803 -0.413 0.000 0.919 237 Q CB 1.361 29.922 28.738 -0.296 0.000 1.237 237 Q HN 0.301 nan 8.270 nan 0.000 0.434 238 F N 0.117 120.050 119.950 -0.028 0.000 2.512 238 F HA -0.010 4.516 4.527 -0.001 0.000 0.296 238 F C 1.014 176.793 175.800 -0.036 0.000 1.110 238 F CA -0.392 57.597 58.000 -0.019 0.000 1.446 238 F CB 0.318 39.318 39.000 0.001 0.000 1.092 238 F HN 0.546 nan 8.300 nan 0.000 0.554 239 N N 1.681 120.443 118.700 0.103 0.000 2.411 239 N HA -0.053 4.686 4.740 -0.001 0.000 0.265 239 N C 0.621 176.116 175.510 -0.024 0.000 1.266 239 N CA 0.390 53.464 53.050 0.040 0.000 0.889 239 N CB 0.456 38.955 38.487 0.019 0.000 1.069 239 N HN 0.091 nan 8.380 nan 0.000 0.476 240 K N 2.438 122.798 120.400 -0.067 0.000 2.426 240 K HA 0.048 4.367 4.320 -0.001 0.000 0.193 240 K C -0.273 176.116 176.600 -0.352 0.000 1.028 240 K CA 0.288 56.460 56.287 -0.191 0.000 1.047 240 K CB 0.208 32.587 32.500 -0.202 0.000 0.821 240 K HN 0.462 nan 8.250 nan 0.000 0.513 241 F N 2.304 122.235 119.950 -0.033 0.000 2.413 241 F HA 0.189 4.715 4.527 -0.001 0.000 0.359 241 F C 0.503 176.266 175.800 -0.062 0.000 1.122 241 F CA -0.771 57.205 58.000 -0.039 0.000 1.160 241 F CB 0.593 39.578 39.000 -0.026 0.000 1.146 241 F HN -0.304 nan 8.300 nan 0.000 0.514 242 R N 2.569 123.109 120.500 0.066 0.000 2.316 242 R HA 0.220 4.559 4.340 -0.001 0.000 0.314 242 R C -0.318 176.003 176.300 0.035 0.000 1.069 242 R CA -0.640 55.432 56.100 -0.048 0.000 0.959 242 R CB 1.118 31.288 30.300 -0.217 0.000 0.987 242 R HN 0.520 nan 8.270 nan 0.000 0.446 243 V N 6.036 125.952 119.914 0.003 0.000 2.625 243 V HA -0.000 4.119 4.120 -0.001 0.000 0.305 243 V C -1.917 174.196 176.094 0.032 0.000 1.055 243 V CA -1.041 61.259 62.300 0.000 0.000 1.209 243 V CB 0.261 32.059 31.823 -0.042 0.000 0.877 243 V HN 0.634 nan 8.190 nan 0.000 0.489 244 P HA 0.214 nan 4.420 nan 0.000 0.268 244 P C -0.405 176.852 177.300 -0.071 0.000 1.208 244 P CA 0.099 63.212 63.100 0.021 0.000 0.777 244 P CB 0.317 32.014 31.700 -0.006 0.000 0.875 245 T N -1.880 112.628 114.554 -0.077 0.000 2.936 245 T HA 0.371 4.720 4.350 -0.001 0.000 0.282 245 T C 0.886 175.442 174.700 -0.240 0.000 1.003 245 T CA -0.467 61.500 62.100 -0.223 0.000 1.005 245 T CB 0.312 68.970 68.868 -0.350 0.000 1.097 245 T HN 0.142 nan 8.240 nan 0.000 0.532 246 F N -0.179 119.687 119.950 -0.139 0.000 2.269 246 F HA 0.022 4.548 4.527 -0.001 0.000 0.301 246 F C 2.139 177.834 175.800 -0.175 0.000 1.082 246 F CA 0.517 58.452 58.000 -0.109 0.000 1.360 246 F CB -0.267 38.717 39.000 -0.027 0.000 1.041 246 F HN 0.431 nan 8.300 nan 0.000 0.512 247 L N 0.223 121.399 121.223 -0.079 0.000 2.044 247 L HA -0.160 4.180 4.340 -0.001 0.000 0.205 247 L C 2.659 179.436 176.870 -0.156 0.000 1.075 247 L CA 1.838 56.586 54.840 -0.155 0.000 0.747 247 L CB -0.911 40.974 42.059 -0.290 0.000 0.903 247 L HN 0.121 nan 8.230 nan 0.000 0.435 248 S N 0.646 116.252 115.700 -0.157 0.000 2.407 248 S HA -0.304 4.165 4.470 -0.001 0.000 0.235 248 S C 1.746 176.277 174.600 -0.116 0.000 1.036 248 S CA 1.802 59.957 58.200 -0.075 0.000 1.013 248 S CB -0.993 62.202 63.200 -0.008 0.000 0.820 248 S HN 0.696 nan 8.310 nan 0.000 0.476 249 M N -0.046 119.447 119.600 -0.178 0.000 2.475 249 M HA 0.430 4.909 4.480 -0.001 0.000 0.261 249 M C 0.005 176.000 176.300 -0.509 0.000 1.177 249 M CA 0.067 55.190 55.300 -0.294 0.000 0.979 249 M CB -0.222 32.190 32.600 -0.312 0.000 1.482 249 M HN -0.040 nan 8.290 nan 0.000 0.484 250 D N 1.847 122.064 120.400 -0.304 0.000 3.057 250 D HA 0.077 4.716 4.640 -0.001 0.000 0.246 250 D C 1.250 177.535 176.300 -0.026 0.000 1.238 250 D CA -0.159 53.730 54.000 -0.187 0.000 0.949 250 D CB 0.434 41.221 40.800 -0.021 0.000 1.086 250 D HN 0.170 nan 8.370 nan 0.000 0.487 251 V N 1.378 121.271 119.914 -0.034 0.000 2.546 251 V HA -0.198 3.922 4.120 -0.001 0.000 0.254 251 V C 0.951 177.203 176.094 0.264 0.000 1.076 251 V CA 1.961 64.333 62.300 0.121 0.000 1.087 251 V CB -0.047 31.830 31.823 0.090 0.000 0.674 251 V HN 0.319 nan 8.190 nan 0.000 0.470 252 D N -0.094 120.485 120.400 0.299 0.000 2.354 252 D HA 0.199 4.838 4.640 -0.001 0.000 0.209 252 D C 1.563 178.018 176.300 0.258 0.000 1.015 252 D CA 0.995 55.144 54.000 0.248 0.000 0.867 252 D CB 0.195 41.087 40.800 0.153 0.000 0.933 252 D HN 0.653 nan 8.370 nan 0.000 0.520 253 G N 2.366 111.324 108.800 0.264 0.000 2.225 253 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.264 253 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.264 253 G C 0.777 175.812 174.900 0.225 0.000 1.060 253 G CA 0.447 45.703 45.100 0.261 0.000 0.833 253 G HN 0.498 nan 8.290 nan 0.000 0.498 254 R N -1.403 119.176 120.500 0.132 0.000 2.432 254 R HA 0.526 4.866 4.340 -0.001 0.000 0.260 254 R C 0.030 176.317 176.300 -0.022 0.000 0.935 254 R CA -0.161 55.934 56.100 -0.008 0.000 1.080 254 R CB 0.656 30.854 30.300 -0.171 0.000 1.155 254 R HN 0.298 nan 8.270 nan 0.000 0.531 255 V N 2.073 122.006 119.914 0.032 0.000 2.555 255 V HA 0.435 4.554 4.120 -0.001 0.000 0.302 255 V C -0.252 175.813 176.094 -0.047 0.000 1.038 255 V CA -0.838 61.455 62.300 -0.011 0.000 0.887 255 V CB 2.035 33.880 31.823 0.037 0.000 0.991 255 V HN 0.160 nan 8.190 nan 0.000 0.434 256 I N 4.497 125.018 120.570 -0.081 0.000 2.412 256 I HA 0.568 4.737 4.170 -0.001 0.000 0.296 256 I C 0.093 176.140 176.117 -0.116 0.000 0.987 256 I CA -0.503 60.736 61.300 -0.100 0.000 1.180 256 I CB 1.601 39.531 38.000 -0.118 0.000 1.340 256 I HN 0.554 nan 8.210 nan 0.000 0.455 257 R N 5.092 125.513 120.500 -0.131 0.000 2.393 257 R HA 0.764 5.103 4.340 -0.001 0.000 0.310 257 R C -0.969 175.214 176.300 -0.195 0.000 0.968 257 R CA -0.515 55.483 56.100 -0.170 0.000 0.867 257 R CB 1.500 31.671 30.300 -0.214 0.000 1.124 257 R HN 0.748 nan 8.270 nan 0.000 0.450 258 A N 4.521 127.211 122.820 -0.218 0.000 2.260 258 A HA 0.293 4.613 4.320 -0.001 0.000 0.308 258 A C -0.849 176.505 177.584 -0.383 0.000 1.254 258 A CA -0.616 51.256 52.037 -0.275 0.000 0.874 258 A CB 0.525 19.398 19.000 -0.213 0.000 1.153 258 A HN 0.830 nan 8.150 nan 0.000 0.527 259 D N 1.504 121.515 120.400 -0.648 0.000 2.181 259 D HA 0.545 5.185 4.640 -0.001 0.000 0.248 259 D C -0.085 175.729 176.300 -0.810 0.000 1.020 259 D CA 0.185 53.672 54.000 -0.855 0.000 0.891 259 D CB 2.016 41.887 40.800 -1.548 0.000 1.187 259 D HN 0.617 nan 8.370 nan 0.000 0.443 260 S N 0.099 115.528 115.700 -0.451 0.000 2.599 260 S HA 0.431 4.900 4.470 -0.001 0.000 0.294 260 S C -0.136 174.476 174.600 0.019 0.000 1.094 260 S CA -0.684 57.364 58.200 -0.253 0.000 0.931 260 S CB 1.095 64.218 63.200 -0.128 0.000 1.093 260 S HN 0.264 nan 8.310 nan 0.000 0.488 261 F N 1.182 121.241 119.950 0.182 0.000 2.727 261 F HA 0.396 4.923 4.527 -0.001 0.000 0.302 261 F C 1.601 177.482 175.800 0.135 0.000 1.097 261 F CA -0.782 57.349 58.000 0.217 0.000 1.330 261 F CB -0.604 38.528 39.000 0.220 0.000 1.084 261 F HN 0.490 nan 8.300 nan 0.000 0.578 265 I N 0.260 121.007 120.570 0.294 0.000 3.565 265 I HA 0.487 4.657 4.170 -0.001 0.000 0.287 265 I C 0.206 176.375 176.117 0.086 0.000 1.193 265 I CA 0.664 62.050 61.300 0.142 0.000 1.402 265 I CB 1.300 39.237 38.000 -0.105 0.000 1.284 265 I HN 0.233 nan 8.210 nan 0.000 0.454 266 S N 0.207 115.982 115.700 0.126 0.000 2.581 266 S HA 0.285 4.754 4.470 -0.001 0.000 0.306 266 S C 0.549 175.222 174.600 0.121 0.000 1.080 266 S CA 0.170 58.429 58.200 0.098 0.000 0.925 266 S CB 0.604 63.836 63.200 0.054 0.000 1.128 266 S HN 0.455 nan 8.310 nan 0.000 0.451 267 S N 3.144 118.906 115.700 0.103 0.000 2.406 267 S HA 0.079 4.548 4.470 -0.001 0.000 0.228 267 S C 1.752 176.398 174.600 0.078 0.000 1.020 267 S CA 0.956 59.211 58.200 0.093 0.000 0.965 267 S CB -0.428 62.824 63.200 0.086 0.000 0.798 267 S HN 0.998 nan 8.310 nan 0.000 0.488 268 G N 0.999 109.839 108.800 0.066 0.000 2.838 268 G HA2 0.281 4.241 3.960 -0.001 0.000 0.210 268 G HA3 0.281 4.241 3.960 -0.001 0.000 0.210 268 G C 1.224 176.153 174.900 0.048 0.000 1.153 268 G CA -0.147 44.983 45.100 0.050 0.000 0.778 268 G HN 0.461 nan 8.290 nan 0.000 0.539 269 L N -0.616 120.644 121.223 0.062 0.000 2.291 269 L HA 0.105 4.445 4.340 -0.001 0.000 0.214 269 L C 0.832 177.752 176.870 0.084 0.000 1.120 269 L CA 0.029 54.912 54.840 0.072 0.000 0.799 269 L CB -0.143 41.962 42.059 0.077 0.000 0.925 269 L HN 0.071 nan 8.230 nan 0.000 0.446 270 R N 0.795 121.349 120.500 0.090 0.000 3.125 270 R HA -0.088 4.251 4.340 -0.001 0.000 0.258 270 R C -1.113 175.253 176.300 0.110 0.000 0.968 270 R CA 0.499 56.650 56.100 0.083 0.000 0.656 270 R CB -2.440 27.893 30.300 0.055 0.000 1.251 270 R HN 0.247 nan 8.270 nan 0.000 0.428 271 I N -0.611 120.052 120.570 0.155 0.000 2.599 271 I HA 0.526 4.696 4.170 -0.001 0.000 0.285 271 I C 0.776 177.050 176.117 0.262 0.000 1.168 271 I CA -0.258 61.170 61.300 0.214 0.000 1.060 271 I CB 2.084 40.240 38.000 0.260 0.000 1.249 271 I HN 0.350 nan 8.210 nan 0.000 0.442 272 G N 5.392 114.293 108.800 0.169 0.000 2.708 272 G HA2 0.888 4.847 3.960 -0.001 0.000 0.289 272 G HA3 0.888 4.847 3.960 -0.001 0.000 0.289 272 G C -1.707 173.271 174.900 0.129 0.000 1.416 272 G CA -0.537 44.582 45.100 0.032 0.000 0.829 272 G HN 0.397 nan 8.290 nan 0.000 0.480 273 F N -1.844 118.014 119.950 -0.153 0.000 2.645 273 F HA 0.816 5.342 4.527 -0.001 0.000 0.310 273 F C -1.513 174.221 175.800 -0.109 0.000 1.102 273 F CA -1.693 56.239 58.000 -0.114 0.000 0.952 273 F CB 1.948 40.879 39.000 -0.115 0.000 1.326 273 F HN 0.480 nan 8.300 nan 0.000 0.456 274 L N 1.846 123.110 121.223 0.069 0.000 2.349 274 L HA 0.783 5.123 4.340 -0.001 0.000 0.278 274 L C -0.853 176.026 176.870 0.016 0.000 0.996 274 L CA 0.020 54.839 54.840 -0.034 0.000 0.825 274 L CB 1.969 43.997 42.059 -0.052 0.000 1.243 274 L HN 0.852 nan 8.230 nan 0.000 0.412 275 T N 3.284 117.822 114.554 -0.027 0.000 2.807 275 T HA 0.932 5.281 4.350 -0.001 0.000 0.279 275 T C -0.097 174.564 174.700 -0.065 0.000 0.993 275 T CA -0.404 61.684 62.100 -0.019 0.000 0.970 275 T CB 1.568 70.441 68.868 0.008 0.000 0.950 275 T HN 0.923 nan 8.240 nan 0.000 0.441 276 G N 2.761 111.521 108.800 -0.067 0.000 2.349 276 G HA2 0.544 4.503 3.960 -0.001 0.000 0.294 276 G HA3 0.544 4.503 3.960 -0.001 0.000 0.294 276 G C -3.437 171.403 174.900 -0.099 0.000 1.380 276 G CA -1.055 43.996 45.100 -0.082 0.000 0.811 276 G HN 0.423 nan 8.290 nan 0.000 0.519 277 P HA 0.167 nan 4.420 nan 0.000 0.264 277 P C 0.670 177.824 177.300 -0.243 0.000 1.193 277 P CA -0.022 62.952 63.100 -0.211 0.000 0.763 277 P CB 1.343 32.791 31.700 -0.420 0.000 0.810 278 K N 5.634 125.929 120.400 -0.175 0.000 2.089 278 K HA -0.173 4.146 4.320 -0.001 0.000 0.210 278 K C -0.925 175.588 176.600 -0.145 0.000 1.048 278 K CA 2.260 58.474 56.287 -0.122 0.000 0.926 278 K CB -1.448 31.014 32.500 -0.064 0.000 0.714 278 K HN 0.368 nan 8.250 nan 0.000 0.448 279 P HA -0.108 nan 4.420 nan 0.000 0.221 279 P C 0.781 177.997 177.300 -0.140 0.000 1.150 279 P CA 1.053 64.049 63.100 -0.172 0.000 0.800 279 P CB 0.092 31.656 31.700 -0.227 0.000 0.787 280 L N -1.543 119.553 121.223 -0.212 0.000 2.095 280 L HA -0.061 4.278 4.340 -0.001 0.000 0.204 280 L C 2.121 178.956 176.870 -0.059 0.000 1.080 280 L CA 0.860 55.642 54.840 -0.096 0.000 0.759 280 L CB -0.864 41.142 42.059 -0.089 0.000 0.914 280 L HN -0.086 nan 8.230 nan 0.000 0.439 281 I N 0.582 121.106 120.570 -0.077 0.000 2.361 281 I HA -0.276 3.893 4.170 -0.001 0.000 0.251 281 I C 2.541 178.645 176.117 -0.022 0.000 1.133 281 I CA 1.438 62.711 61.300 -0.045 0.000 1.413 281 I CB -1.054 36.919 38.000 -0.045 0.000 1.073 281 I HN 0.463 nan 8.210 nan 0.000 0.424 282 E N 1.088 121.271 120.200 -0.028 0.000 2.110 282 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 282 E C 2.205 178.814 176.600 0.014 0.000 0.988 282 E CA 1.108 57.504 56.400 -0.007 0.000 0.804 282 E CB 0.163 29.855 29.700 -0.012 0.000 0.745 282 E HN 0.329 nan 8.360 nan 0.000 0.458 283 R N 0.441 120.953 120.500 0.020 0.000 2.090 283 R HA -0.061 4.279 4.340 -0.001 0.000 0.228 283 R C 2.564 178.908 176.300 0.074 0.000 1.110 283 R CA 1.175 57.303 56.100 0.047 0.000 0.973 283 R CB -1.403 28.932 30.300 0.059 0.000 0.869 283 R HN 0.305 nan 8.270 nan 0.000 0.440 284 V N 2.537 122.483 119.914 0.054 0.000 2.453 284 V HA -0.086 4.033 4.120 -0.001 0.000 0.247 284 V C 2.230 178.352 176.094 0.047 0.000 1.048 284 V CA 1.417 63.751 62.300 0.056 0.000 1.049 284 V CB -0.507 31.318 31.823 0.003 0.000 0.672 284 V HN 0.304 nan 8.190 nan 0.000 0.457 285 I N -0.206 120.383 120.570 0.032 0.000 2.264 285 I HA -0.230 3.940 4.170 -0.001 0.000 0.248 285 I C 2.241 178.391 176.117 0.055 0.000 1.111 285 I CA 2.360 63.682 61.300 0.036 0.000 1.382 285 I CB -0.703 37.313 38.000 0.026 0.000 1.060 285 I HN 0.377 nan 8.210 nan 0.000 0.418 286 L N 0.356 121.617 121.223 0.063 0.000 2.093 286 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 286 L C 2.815 179.753 176.870 0.113 0.000 1.085 286 L CA 1.825 56.704 54.840 0.066 0.000 0.755 286 L CB -0.937 41.150 42.059 0.046 0.000 0.904 286 L HN 0.436 nan 8.230 nan 0.000 0.435 287 H N 0.195 119.271 119.070 0.009 0.000 2.363 287 H HA -0.173 4.382 4.556 -0.001 0.000 0.301 287 H C 2.330 177.664 175.328 0.009 0.000 1.074 287 H CA 1.342 57.395 56.048 0.010 0.000 1.354 287 H CB 0.257 30.026 29.762 0.011 0.000 1.397 287 H HN 0.339 nan 8.280 nan 0.000 0.516 288 I N 0.350 120.972 120.570 0.087 0.000 2.423 288 I HA -0.234 3.935 4.170 -0.001 0.000 0.254 288 I C 1.733 177.878 176.117 0.046 0.000 1.151 288 I CA 1.464 62.771 61.300 0.012 0.000 1.421 288 I CB -0.295 37.697 38.000 -0.012 0.000 1.079 288 I HN 0.316 nan 8.210 nan 0.000 0.431 289 Q N 0.387 120.225 119.800 0.063 0.000 2.378 289 Q HA 0.018 4.357 4.340 -0.001 0.000 0.205 289 Q C 1.916 177.940 176.000 0.039 0.000 0.954 289 Q CA 1.427 57.257 55.803 0.045 0.000 0.901 289 Q CB 0.091 28.850 28.738 0.036 0.000 0.981 289 Q HN 0.740 nan 8.270 nan 0.000 0.483 290 V N -3.318 116.637 119.914 0.067 0.000 3.578 290 V HA 0.168 4.287 4.120 -0.001 0.000 0.290 290 V C 1.133 177.269 176.094 0.070 0.000 1.376 290 V CA 0.495 62.832 62.300 0.061 0.000 1.083 290 V CB 0.246 32.105 31.823 0.060 0.000 0.911 290 V HN 0.165 nan 8.190 nan 0.000 0.433 291 S N 1.483 117.222 115.700 0.065 0.000 3.541 291 S HA 0.079 4.548 4.470 -0.001 0.000 0.180 291 S C 1.725 176.328 174.600 0.004 0.000 0.887 291 S CA 0.831 59.055 58.200 0.039 0.000 1.264 291 S CB -0.177 63.035 63.200 0.020 0.000 0.873 291 S HN 0.539 nan 8.310 nan 0.000 0.809 292 T N 0.520 115.061 114.554 -0.022 0.000 2.995 292 T HA 0.227 4.577 4.350 -0.001 0.000 0.269 292 T C 1.398 176.046 174.700 -0.088 0.000 1.091 292 T CA 1.061 63.130 62.100 -0.052 0.000 1.128 292 T CB -0.969 67.863 68.868 -0.059 0.000 0.891 292 T HN 0.632 nan 8.240 nan 0.000 0.492 293 L N -0.373 120.827 121.223 -0.037 0.000 3.159 293 L HA -0.273 4.067 4.340 -0.001 0.000 0.370 293 L C 0.747 177.660 176.870 0.073 0.000 1.458 293 L CA 2.072 56.912 54.840 -0.001 0.000 3.093 293 L CB -2.108 39.946 42.059 -0.009 0.000 1.152 293 L HN 0.865 nan 8.230 nan 0.000 0.779 294 H N -2.558 116.548 119.070 0.060 0.000 2.917 294 H HA 0.534 5.089 4.556 -0.001 0.000 0.299 294 H C -3.198 172.170 175.328 0.067 0.000 1.418 294 H CA -1.489 54.595 56.048 0.059 0.000 1.138 294 H CB 1.328 31.133 29.762 0.071 0.000 1.830 294 H HN -0.149 nan 8.280 nan 0.000 0.514 295 P HA 0.069 nan 4.420 nan 0.000 0.278 295 P C 0.127 177.574 177.300 0.244 0.000 1.238 295 P CA -0.308 62.881 63.100 0.148 0.000 0.794 295 P CB 0.807 32.595 31.700 0.147 0.000 0.955 296 S N 1.247 117.034 115.700 0.144 0.000 2.931 296 S HA -0.109 4.361 4.470 -0.001 0.000 0.342 296 S C 1.636 176.383 174.600 0.245 0.000 1.220 296 S CA 0.766 59.073 58.200 0.178 0.000 1.045 296 S CB -0.505 62.767 63.200 0.119 0.000 0.758 296 S HN 0.685 nan 8.310 nan 0.000 0.508 297 T N 4.513 119.232 114.554 0.275 0.000 2.915 297 T HA -0.133 4.216 4.350 -0.001 0.000 0.269 297 T C 1.324 176.102 174.700 0.129 0.000 1.071 297 T CA 1.631 63.824 62.100 0.155 0.000 1.132 297 T CB -0.532 68.371 68.868 0.058 0.000 0.878 297 T HN 0.720 nan 8.240 nan 0.000 0.479 298 F N 2.070 122.048 119.950 0.047 0.000 2.084 298 F HA 0.066 4.593 4.527 -0.001 0.000 0.296 298 F C 2.138 178.024 175.800 0.143 0.000 1.111 298 F CA 1.882 59.943 58.000 0.101 0.000 1.224 298 F CB -0.494 38.563 39.000 0.095 0.000 0.991 298 F HN 0.268 nan 8.300 nan 0.000 0.471 299 N N -0.465 118.454 118.700 0.366 0.000 2.166 299 N HA -0.201 4.538 4.740 -0.001 0.000 0.186 299 N C 1.734 177.298 175.510 0.089 0.000 1.019 299 N CA 1.220 54.401 53.050 0.219 0.000 0.856 299 N CB -0.205 38.395 38.487 0.189 0.000 0.993 299 N HN 0.498 nan 8.380 nan 0.000 0.426 300 Q N 0.359 120.207 119.800 0.081 0.000 2.079 300 Q HA -0.086 4.254 4.340 -0.001 0.000 0.200 300 Q C 1.887 177.861 176.000 -0.045 0.000 0.974 300 Q CA 0.703 56.523 55.803 0.028 0.000 0.840 300 Q CB 0.003 28.768 28.738 0.044 0.000 0.898 300 Q HN 0.260 nan 8.270 nan 0.000 0.430 301 L N 0.547 121.723 121.223 -0.077 0.000 1.997 301 L HA -0.245 4.094 4.340 -0.001 0.000 0.216 301 L C 2.279 179.111 176.870 -0.062 0.000 1.074 301 L CA 1.875 56.614 54.840 -0.169 0.000 0.763 301 L CB -1.067 40.717 42.059 -0.458 0.000 0.890 301 L HN 0.352 nan 8.230 nan 0.000 0.434 302 M N -1.292 118.335 119.600 0.046 0.000 2.065 302 M HA -0.274 4.205 4.480 -0.001 0.000 0.259 302 M C 2.269 178.451 176.300 -0.197 0.000 1.071 302 M CA 1.901 57.168 55.300 -0.056 0.000 1.109 302 M CB -0.505 32.029 32.600 -0.110 0.000 1.313 302 M HN 0.145 nan 8.290 nan 0.000 0.408 303 I N -0.816 119.628 120.570 -0.210 0.000 2.208 303 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 303 I C 2.745 178.614 176.117 -0.414 0.000 1.097 303 I CA 1.310 62.396 61.300 -0.355 0.000 1.363 303 I CB -0.508 37.300 38.000 -0.321 0.000 1.051 303 I HN 0.324 nan 8.210 nan 0.000 0.413 304 S N 0.050 115.588 115.700 -0.269 0.000 2.382 304 S HA -0.226 4.243 4.470 -0.001 0.000 0.228 304 S C 2.022 176.512 174.600 -0.184 0.000 1.027 304 S CA 1.498 59.565 58.200 -0.223 0.000 0.991 304 S CB -0.115 63.030 63.200 -0.093 0.000 0.823 304 S HN 0.441 nan 8.310 nan 0.000 0.469 305 Q N -0.100 119.584 119.800 -0.194 0.000 2.172 305 Q HA 0.014 4.353 4.340 -0.001 0.000 0.200 305 Q C 2.117 177.950 176.000 -0.278 0.000 0.964 305 Q CA 1.089 56.787 55.803 -0.175 0.000 0.855 305 Q CB -0.200 28.471 28.738 -0.111 0.000 0.918 305 Q HN 0.476 nan 8.270 nan 0.000 0.444 306 L N 0.016 120.983 121.223 -0.427 0.000 2.017 306 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 306 L C 1.784 178.233 176.870 -0.702 0.000 1.073 306 L CA 1.564 55.995 54.840 -0.683 0.000 0.745 306 L CB -0.304 41.260 42.059 -0.825 0.000 0.894 306 L HN 0.190 nan 8.230 nan 0.000 0.432 307 L N -1.196 119.628 121.223 -0.665 0.000 2.095 307 L HA -0.096 4.243 4.340 -0.001 0.000 0.204 307 L C 2.473 178.992 176.870 -0.585 0.000 1.080 307 L CA 1.609 55.966 54.840 -0.805 0.000 0.759 307 L CB -1.110 40.012 42.059 -1.563 0.000 0.914 307 L HN 0.346 nan 8.230 nan 0.000 0.439 308 H N -1.169 117.617 119.070 -0.475 0.000 2.352 308 H HA -0.180 4.375 4.556 -0.001 0.000 0.299 308 H C 2.128 177.462 175.328 0.009 0.000 1.097 308 H CA 1.781 57.776 56.048 -0.089 0.000 1.311 308 H CB 0.257 29.974 29.762 -0.076 0.000 1.377 308 H HN 0.241 nan 8.280 nan 0.000 0.504 309 E N -0.440 119.769 120.200 0.014 0.000 2.107 309 E HA -0.132 4.218 4.350 -0.001 0.000 0.191 309 E C 1.466 178.150 176.600 0.141 0.000 0.982 309 E CA 0.827 57.239 56.400 0.021 0.000 0.809 309 E CB -0.132 29.512 29.700 -0.093 0.000 0.756 309 E HN 0.439 nan 8.360 nan 0.000 0.459 310 W N 0.685 121.984 121.300 -0.002 0.000 2.418 310 W HA 0.244 4.903 4.660 -0.001 0.000 0.292 310 W C 1.237 177.827 176.519 0.118 0.000 1.213 310 W CA 1.615 58.987 57.345 0.046 0.000 1.283 310 W CB -1.000 28.486 29.460 0.044 0.000 1.119 310 W HN 0.228 nan 8.180 nan 0.000 0.542 311 G N 0.244 109.285 108.800 0.400 0.000 2.855 311 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.352 311 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.352 311 G C 0.633 175.824 174.900 0.485 0.000 1.415 311 G CA 0.082 45.417 45.100 0.392 0.000 0.871 311 G HN 0.275 nan 8.290 nan 0.000 0.543 312 E N -0.200 120.205 120.200 0.343 0.000 2.204 312 E HA -0.095 4.254 4.350 -0.001 0.000 0.195 312 E C 2.158 178.926 176.600 0.280 0.000 0.990 312 E CA 1.391 57.987 56.400 0.327 0.000 0.821 312 E CB 0.065 29.814 29.700 0.082 0.000 0.750 312 E HN 0.602 nan 8.360 nan 0.000 0.477 313 E N 0.530 120.839 120.200 0.182 0.000 2.028 313 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 313 E C 2.159 178.783 176.600 0.039 0.000 0.988 313 E CA 1.449 57.904 56.400 0.091 0.000 0.799 313 E CB -0.424 29.319 29.700 0.070 0.000 0.755 313 E HN 0.217 nan 8.360 nan 0.000 0.447 314 G N -0.121 108.719 108.800 0.068 0.000 2.442 314 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.219 314 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.219 314 G C 1.425 176.038 174.900 -0.479 0.000 1.141 314 G CA 0.830 45.796 45.100 -0.223 0.000 0.763 314 G HN 0.342 nan 8.290 nan 0.000 0.554 315 F N 1.287 121.157 119.950 -0.133 0.000 2.051 315 F HA -0.033 4.494 4.527 -0.001 0.000 0.296 315 F C 2.629 178.370 175.800 -0.098 0.000 1.122 315 F CA 1.455 59.433 58.000 -0.036 0.000 1.201 315 F CB -0.112 39.080 39.000 0.319 0.000 0.978 315 F HN 0.005 nan 8.300 nan 0.000 0.472 316 M N 0.272 119.774 119.600 -0.163 0.000 2.296 316 M HA -0.056 4.423 4.480 -0.001 0.000 0.265 316 M C 2.417 178.570 176.300 -0.245 0.000 1.064 316 M CA 1.370 56.523 55.300 -0.244 0.000 1.109 316 M CB -2.135 30.433 32.600 -0.053 0.000 1.396 316 M HN 0.318 nan 8.290 nan 0.000 0.430 317 A N -0.469 122.211 122.820 -0.233 0.000 1.873 317 A HA -0.201 4.118 4.320 -0.001 0.000 0.215 317 A C 2.191 179.612 177.584 -0.272 0.000 1.186 317 A CA 1.741 53.643 52.037 -0.225 0.000 0.616 317 A CB -1.158 17.717 19.000 -0.209 0.000 0.823 317 A HN 0.604 nan 8.150 nan 0.000 0.442 318 H N -0.081 118.674 119.070 -0.525 0.000 2.319 318 H HA -0.144 4.411 4.556 -0.001 0.000 0.299 318 H C 2.203 177.349 175.328 -0.303 0.000 1.092 318 H CA 2.445 58.203 56.048 -0.484 0.000 1.302 318 H CB -0.203 29.091 29.762 -0.779 0.000 1.373 318 H HN 0.336 nan 8.280 nan 0.000 0.497 319 V N 1.273 120.865 119.914 -0.536 0.000 2.343 319 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 319 V C 1.581 177.518 176.094 -0.261 0.000 1.051 319 V CA 2.551 64.573 62.300 -0.464 0.000 1.036 319 V CB -0.469 31.078 31.823 -0.460 0.000 0.654 319 V HN 0.345 nan 8.190 nan 0.000 0.451 320 D N -0.077 120.198 120.400 -0.209 0.000 2.144 320 D HA -0.124 4.516 4.640 -0.001 0.000 0.199 320 D C 2.364 178.616 176.300 -0.080 0.000 0.984 320 D CA 1.480 55.410 54.000 -0.117 0.000 0.834 320 D CB -0.372 40.362 40.800 -0.109 0.000 0.955 320 D HN 0.471 nan 8.370 nan 0.000 0.465 321 R N 0.288 120.719 120.500 -0.114 0.000 2.096 321 R HA -0.098 4.241 4.340 -0.001 0.000 0.235 321 R C 2.316 178.619 176.300 0.004 0.000 1.127 321 R CA 0.999 57.066 56.100 -0.055 0.000 0.968 321 R CB -0.233 30.023 30.300 -0.073 0.000 0.861 321 R HN 0.209 nan 8.270 nan 0.000 0.440 322 V N -0.187 119.686 119.914 -0.068 0.000 2.453 322 V HA -0.133 3.986 4.120 -0.001 0.000 0.247 322 V C 1.879 178.161 176.094 0.314 0.000 1.048 322 V CA 1.384 63.749 62.300 0.109 0.000 1.049 322 V CB -0.256 31.587 31.823 0.032 0.000 0.672 322 V HN 0.221 nan 8.190 nan 0.000 0.457 323 I N 1.055 121.734 120.570 0.182 0.000 2.091 323 I HA -0.304 3.865 4.170 -0.001 0.000 0.239 323 I C 2.388 178.666 176.117 0.269 0.000 1.061 323 I CA 2.608 64.071 61.300 0.271 0.000 1.317 323 I CB -0.677 37.410 38.000 0.146 0.000 1.031 323 I HN 0.351 nan 8.210 nan 0.000 0.401 324 D N 0.204 120.687 120.400 0.137 0.000 2.154 324 D HA -0.291 4.349 4.640 -0.001 0.000 0.190 324 D C 1.954 178.302 176.300 0.080 0.000 1.003 324 D CA 1.772 55.817 54.000 0.074 0.000 0.849 324 D CB -0.254 40.569 40.800 0.038 0.000 0.942 324 D HN 0.349 nan 8.370 nan 0.000 0.446 325 F N -0.593 119.379 119.950 0.036 0.000 2.134 325 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 325 F C 1.724 177.495 175.800 -0.049 0.000 1.097 325 F CA 1.229 59.208 58.000 -0.034 0.000 1.264 325 F CB -0.262 38.687 39.000 -0.084 0.000 1.001 325 F HN 0.036 nan 8.300 nan 0.000 0.479 326 Y N -0.829 119.582 120.300 0.186 0.000 2.395 326 Y HA -0.093 4.456 4.550 -0.001 0.000 0.293 326 Y C 2.898 178.706 175.900 -0.152 0.000 1.123 326 Y CA 1.400 59.642 58.100 0.238 0.000 1.227 326 Y CB -0.768 38.034 38.460 0.570 0.000 1.012 326 Y HN 0.101 nan 8.280 nan 0.000 0.552 327 S N -0.042 115.558 115.700 -0.165 0.000 2.368 327 S HA -0.179 4.290 4.470 -0.001 0.000 0.224 327 S C 1.747 176.058 174.600 -0.481 0.000 1.029 327 S CA 1.580 59.409 58.200 -0.618 0.000 0.988 327 S CB -0.377 62.593 63.200 -0.383 0.000 0.838 327 S HN 0.565 nan 8.310 nan 0.000 0.462 328 N N 0.235 118.715 118.700 -0.367 0.000 2.188 328 N HA -0.061 4.678 4.740 -0.001 0.000 0.184 328 N C 2.016 177.279 175.510 -0.412 0.000 1.018 328 N CA 0.976 53.812 53.050 -0.357 0.000 0.858 328 N CB -0.022 38.273 38.487 -0.319 0.000 0.989 328 N HN 0.307 nan 8.380 nan 0.000 0.426 329 Q N 1.133 120.630 119.800 -0.504 0.000 2.061 329 Q HA -0.212 4.127 4.340 -0.001 0.000 0.204 329 Q C 1.968 177.678 176.000 -0.483 0.000 0.984 329 Q CA 1.287 56.856 55.803 -0.390 0.000 0.846 329 Q CB -0.327 28.267 28.738 -0.239 0.000 0.902 329 Q HN 0.457 nan 8.270 nan 0.000 0.421 330 K N 0.769 120.663 120.400 -0.844 0.000 2.009 330 K HA -0.197 4.122 4.320 -0.001 0.000 0.210 330 K C 1.405 177.632 176.600 -0.621 0.000 1.049 330 K CA 1.706 57.252 56.287 -1.234 0.000 0.929 330 K CB -0.064 31.673 32.500 -1.273 0.000 0.714 330 K HN 0.009 nan 8.250 nan 0.000 0.440 331 D N 0.826 120.947 120.400 -0.466 0.000 2.160 331 D HA -0.231 4.408 4.640 -0.001 0.000 0.189 331 D C 1.909 178.055 176.300 -0.257 0.000 1.003 331 D CA 1.980 55.799 54.000 -0.301 0.000 0.846 331 D CB -0.500 40.149 40.800 -0.252 0.000 0.949 331 D HN 0.464 nan 8.370 nan 0.000 0.446 332 A N 0.619 123.287 122.820 -0.253 0.000 1.933 332 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 332 A C 2.361 179.842 177.584 -0.171 0.000 1.175 332 A CA 0.974 52.904 52.037 -0.177 0.000 0.628 332 A CB -0.681 18.234 19.000 -0.141 0.000 0.814 332 A HN 0.311 nan 8.150 nan 0.000 0.444 333 I N -1.157 119.293 120.570 -0.201 0.000 2.439 333 I HA -0.148 4.021 4.170 -0.001 0.000 0.251 333 I C 1.945 177.853 176.117 -0.349 0.000 1.139 333 I CA 0.708 61.906 61.300 -0.170 0.000 1.438 333 I CB 0.005 38.014 38.000 0.016 0.000 1.085 333 I HN 0.205 nan 8.210 nan 0.000 0.427 334 L N 1.042 122.084 121.223 -0.302 0.000 2.042 334 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 334 L C 2.663 179.398 176.870 -0.226 0.000 1.076 334 L CA 2.232 56.926 54.840 -0.244 0.000 0.749 334 L CB -1.489 40.501 42.059 -0.114 0.000 0.893 334 L HN 0.284 nan 8.230 nan 0.000 0.432 335 A N -1.121 121.576 122.820 -0.204 0.000 1.929 335 A HA -0.019 4.300 4.320 -0.001 0.000 0.216 335 A C 2.452 179.900 177.584 -0.227 0.000 1.176 335 A CA 1.316 53.251 52.037 -0.170 0.000 0.628 335 A CB -0.781 18.142 19.000 -0.129 0.000 0.816 335 A HN 0.366 nan 8.150 nan 0.000 0.444 336 A N -0.202 122.448 122.820 -0.282 0.000 2.024 336 A HA 0.126 4.445 4.320 -0.001 0.000 0.220 336 A C 2.350 179.536 177.584 -0.662 0.000 1.164 336 A CA 2.139 53.984 52.037 -0.320 0.000 0.643 336 A CB -0.679 18.142 19.000 -0.297 0.000 0.806 336 A HN 0.939 nan 8.150 nan 0.000 0.451 337 A N -0.259 122.005 122.820 -0.926 0.000 1.887 337 A HA -0.014 4.305 4.320 -0.001 0.000 0.212 337 A C 1.699 179.019 177.584 -0.440 0.000 1.198 337 A CA 1.240 52.606 52.037 -1.119 0.000 0.628 337 A CB -0.427 17.577 19.000 -1.660 0.000 0.847 337 A HN 0.392 nan 8.150 nan 0.000 0.449 338 D N 0.130 120.460 120.400 -0.117 0.000 2.203 338 D HA -0.222 4.417 4.640 -0.001 0.000 0.199 338 D C 1.796 178.075 176.300 -0.036 0.000 0.997 338 D CA 1.837 55.903 54.000 0.109 0.000 0.863 338 D CB -0.144 40.707 40.800 0.085 0.000 0.928 338 D HN 0.723 nan 8.370 nan 0.000 0.458 339 K N -0.700 119.596 120.400 -0.174 0.000 2.137 339 K HA -0.090 4.230 4.320 -0.001 0.000 0.202 339 K C 1.711 178.057 176.600 -0.422 0.000 1.052 339 K CA 0.635 56.717 56.287 -0.342 0.000 0.961 339 K CB -0.057 32.180 32.500 -0.439 0.000 0.741 339 K HN 0.142 nan 8.250 nan 0.000 0.452 340 W N 0.214 121.495 121.300 -0.033 0.000 2.915 340 W HA 0.283 4.942 4.660 -0.001 0.000 0.276 340 W C 1.323 177.882 176.519 0.066 0.000 1.215 340 W CA -0.400 56.965 57.345 0.033 0.000 1.514 340 W CB 0.538 30.050 29.460 0.087 0.000 1.017 340 W HN -0.092 nan 8.180 nan 0.000 0.598 341 L N -0.340 121.032 121.223 0.249 0.000 2.616 341 L HA 0.126 4.465 4.340 -0.001 0.000 0.229 341 L C 1.959 179.021 176.870 0.319 0.000 1.110 341 L CA 0.237 55.239 54.840 0.269 0.000 0.884 341 L CB -0.621 41.562 42.059 0.206 0.000 1.115 341 L HN -0.151 nan 8.230 nan 0.000 0.481 342 T N 0.731 115.448 114.554 0.272 0.000 2.624 342 T HA -0.234 4.115 4.350 -0.001 0.000 0.266 342 T C 1.441 176.217 174.700 0.127 0.000 1.050 342 T CA 2.035 64.273 62.100 0.230 0.000 1.163 342 T CB -0.251 68.683 68.868 0.111 0.000 0.861 342 T HN 0.556 nan 8.240 nan 0.000 0.443 343 G N -0.633 108.226 108.800 0.098 0.000 3.707 343 G HA2 0.418 4.377 3.960 -0.001 0.000 0.286 343 G HA3 0.418 4.377 3.960 -0.001 0.000 0.286 343 G C 0.542 175.480 174.900 0.064 0.000 1.112 343 G CA -0.200 44.931 45.100 0.052 0.000 0.861 343 G HN 0.283 nan 8.290 nan 0.000 0.534 344 L N -0.362 120.928 121.223 0.112 0.000 2.840 344 L HA 0.606 4.946 4.340 -0.001 0.000 0.249 344 L C 0.899 177.829 176.870 0.100 0.000 1.119 344 L CA 0.004 54.903 54.840 0.098 0.000 0.930 344 L CB 0.364 42.496 42.059 0.122 0.000 1.295 344 L HN 0.218 nan 8.230 nan 0.000 0.534 345 A N -0.961 121.959 122.820 0.168 0.000 2.609 345 A HA 0.747 5.067 4.320 -0.001 0.000 0.291 345 A C -1.043 176.658 177.584 0.194 0.000 1.096 345 A CA -0.541 51.608 52.037 0.185 0.000 0.684 345 A CB 1.377 20.542 19.000 0.274 0.000 1.282 345 A HN 0.062 nan 8.150 nan 0.000 0.412 346 E N -0.523 119.733 120.200 0.094 0.000 2.299 346 E HA 0.669 5.019 4.350 -0.001 0.000 0.265 346 E C -1.424 175.243 176.600 0.110 0.000 0.911 346 E CA -0.481 55.841 56.400 -0.129 0.000 0.789 346 E CB 2.179 31.757 29.700 -0.203 0.000 1.246 346 E HN 0.732 nan 8.360 nan 0.000 0.427 347 W N -0.396 120.839 121.300 -0.110 0.000 3.153 347 W HA 0.417 5.076 4.660 -0.002 0.000 0.316 347 W C -1.196 175.242 176.519 -0.135 0.000 1.255 347 W CA -0.746 56.561 57.345 -0.064 0.000 1.192 347 W CB 0.423 29.929 29.460 0.077 0.000 1.400 347 W HN 0.355 nan 8.180 nan 0.000 0.568 348 H N 0.949 120.211 119.070 0.321 0.000 2.544 348 H HA 0.458 5.013 4.556 -0.001 0.000 0.342 348 H C -0.214 175.312 175.328 0.330 0.000 1.185 348 H CA -0.911 55.264 56.048 0.211 0.000 1.264 348 H CB 2.382 32.256 29.762 0.188 0.000 1.607 348 H HN 0.476 nan 8.280 nan 0.000 0.550 349 V N 3.839 123.970 119.914 0.361 0.000 2.446 349 V HA 0.102 4.221 4.120 -0.001 0.000 0.276 349 V C -2.133 174.125 176.094 0.273 0.000 1.030 349 V CA -1.226 61.243 62.300 0.283 0.000 1.033 349 V CB 0.110 32.040 31.823 0.178 0.000 0.993 349 V HN 0.565 nan 8.190 nan 0.000 0.477 350 P HA 0.170 nan 4.420 nan 0.000 0.265 350 P C 0.176 177.661 177.300 0.308 0.000 1.193 350 P CA 0.302 63.590 63.100 0.314 0.000 0.765 350 P CB 1.076 33.055 31.700 0.464 0.000 0.823 351 A N 2.210 125.139 122.820 0.181 0.000 2.147 351 A HA 0.547 4.866 4.320 -0.001 0.000 0.211 351 A C 0.841 178.387 177.584 -0.064 0.000 1.160 351 A CA 1.232 53.336 52.037 0.112 0.000 0.781 351 A CB -0.103 18.916 19.000 0.031 0.000 0.842 351 A HN 0.649 nan 8.150 nan 0.000 0.475 352 A N -3.324 119.377 122.820 -0.198 0.000 2.581 352 A HA 0.665 4.984 4.320 -0.001 0.000 0.290 352 A C 0.732 178.020 177.584 -0.494 0.000 1.119 352 A CA 0.068 51.741 52.037 -0.608 0.000 0.670 352 A CB -0.329 18.451 19.000 -0.367 0.000 1.280 352 A HN 2.031 nan 8.150 nan 0.000 0.425 353 G N -0.307 108.129 108.800 -0.606 0.000 2.527 353 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.268 353 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.268 353 G C 0.661 175.329 174.900 -0.386 0.000 1.175 353 G CA 1.470 46.202 45.100 -0.613 0.000 0.962 353 G HN 2.447 nan 8.290 nan 0.000 0.560 354 M N -2.054 117.066 119.600 -0.801 0.000 2.449 354 M HA 0.662 5.142 4.480 -0.001 0.000 0.410 354 M C -0.789 174.490 176.300 -1.702 0.000 1.079 354 M CA -0.189 54.316 55.300 -1.325 0.000 0.922 354 M CB 0.796 32.841 32.600 -0.926 0.000 1.676 354 M HN 0.344 nan 8.290 nan 0.000 0.572 355 F N 1.891 121.542 119.950 -0.498 0.000 2.520 355 F HA 0.710 5.237 4.527 -0.001 0.000 0.322 355 F C -0.789 175.161 175.800 0.249 0.000 1.103 355 F CA -1.268 56.652 58.000 -0.133 0.000 0.926 355 F CB 1.944 40.849 39.000 -0.159 0.000 1.154 355 F HN 0.031 nan 8.300 nan 0.000 0.453 356 L N 3.896 125.454 121.223 0.559 0.000 2.322 356 L HA 0.457 4.796 4.340 -0.001 0.000 0.281 356 L C -1.396 175.798 176.870 0.540 0.000 1.014 356 L CA -0.610 54.542 54.840 0.520 0.000 0.815 356 L CB 1.335 43.644 42.059 0.418 0.000 1.247 356 L HN 0.743 nan 8.230 nan 0.000 0.421 357 W N 8.131 129.604 121.300 0.287 0.000 2.329 357 W HA 0.491 5.150 4.660 -0.002 0.000 0.312 357 W C -1.185 175.561 176.519 0.379 0.000 1.054 357 W CA -1.106 56.407 57.345 0.280 0.000 1.245 357 W CB 1.703 31.293 29.460 0.216 0.000 1.255 357 W HN 0.577 nan 8.180 nan 0.000 0.436 358 I N 5.329 126.010 120.570 0.184 0.000 2.406 358 I HA 0.396 4.566 4.170 -0.001 0.000 0.290 358 I C -1.032 174.992 176.117 -0.155 0.000 0.999 358 I CA -0.626 60.749 61.300 0.126 0.000 1.124 358 I CB 1.702 39.808 38.000 0.176 0.000 1.289 358 I HN 0.335 nan 8.210 nan 0.000 0.441 359 K N 6.581 126.857 120.400 -0.206 0.000 2.213 359 K HA 0.566 4.885 4.320 -0.001 0.000 0.270 359 K C -1.326 175.133 176.600 -0.234 0.000 1.002 359 K CA -0.692 55.271 56.287 -0.540 0.000 0.868 359 K CB 1.335 33.397 32.500 -0.729 0.000 1.093 359 K HN 0.658 nan 8.250 nan 0.000 0.454 360 V N 4.911 124.684 119.914 -0.236 0.000 2.465 360 V HA 0.211 4.331 4.120 -0.001 0.000 0.279 360 V C 0.109 176.131 176.094 -0.120 0.000 1.045 360 V CA -0.649 61.588 62.300 -0.106 0.000 0.938 360 V CB 1.080 32.852 31.823 -0.085 0.000 0.986 360 V HN 0.708 nan 8.190 nan 0.000 0.467 361 K N 2.872 123.234 120.400 -0.063 0.000 2.205 361 K HA 0.557 4.876 4.320 -0.001 0.000 0.279 361 K C 1.144 177.720 176.600 -0.041 0.000 1.027 361 K CA 0.335 56.588 56.287 -0.057 0.000 0.932 361 K CB 1.227 33.708 32.500 -0.031 0.000 1.032 361 K HN 1.036 nan 8.250 nan 0.000 0.466 362 G N 1.896 110.671 108.800 -0.042 0.000 2.217 362 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.246 362 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.246 362 G C 0.124 175.005 174.900 -0.031 0.000 0.990 362 G CA -0.315 44.768 45.100 -0.028 0.000 0.627 362 G HN 0.456 nan 8.290 nan 0.000 0.522 363 I N 1.260 121.803 120.570 -0.045 0.000 2.460 363 I HA 0.323 4.492 4.170 -0.001 0.000 0.298 363 I C 1.051 177.134 176.117 -0.056 0.000 0.989 363 I CA -0.672 60.601 61.300 -0.046 0.000 1.173 363 I CB 1.264 39.237 38.000 -0.046 0.000 1.338 363 I HN 0.191 nan 8.210 nan 0.000 0.456 364 N N 2.351 121.026 118.700 -0.042 0.000 2.436 364 N HA -0.036 4.703 4.740 -0.001 0.000 0.178 364 N C -0.331 175.157 175.510 -0.036 0.000 1.026 364 N CA 0.492 53.519 53.050 -0.039 0.000 0.880 364 N CB 0.691 39.161 38.487 -0.027 0.000 1.061 364 N HN 0.592 nan 8.380 nan 0.000 0.434 365 D N 0.713 121.096 120.400 -0.028 0.000 2.469 365 D HA 0.135 4.774 4.640 -0.001 0.000 0.251 365 D C 0.089 176.380 176.300 -0.015 0.000 1.173 365 D CA -0.261 53.729 54.000 -0.017 0.000 0.882 365 D CB 2.157 42.949 40.800 -0.014 0.000 1.129 365 D HN -0.155 nan 8.370 nan 0.000 0.549 366 V N 4.680 124.588 119.914 -0.010 0.000 3.406 366 V HA -0.040 4.079 4.120 -0.001 0.000 0.263 366 V C 2.245 178.343 176.094 0.007 0.000 1.172 366 V CA 0.994 63.288 62.300 -0.010 0.000 1.140 366 V CB -0.213 31.599 31.823 -0.019 0.000 0.784 366 V HN 0.521 nan 8.190 nan 0.000 0.467 367 K N 1.059 121.468 120.400 0.016 0.000 2.030 367 K HA -0.342 3.977 4.320 -0.001 0.000 0.222 367 K C 2.036 178.640 176.600 0.007 0.000 1.056 367 K CA 2.813 59.110 56.287 0.017 0.000 0.957 367 K CB -0.315 32.193 32.500 0.013 0.000 0.727 367 K HN 0.669 nan 8.250 nan 0.000 0.452 368 E N 0.418 120.618 120.200 -0.000 0.000 2.152 368 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 368 E C 2.161 178.757 176.600 -0.007 0.000 0.983 368 E CA 0.928 57.326 56.400 -0.004 0.000 0.818 368 E CB -0.214 29.483 29.700 -0.006 0.000 0.758 368 E HN 0.435 nan 8.360 nan 0.000 0.467 369 L N 0.076 121.293 121.223 -0.009 0.000 2.131 369 L HA -0.090 4.249 4.340 -0.001 0.000 0.210 369 L C 1.856 178.716 176.870 -0.016 0.000 1.092 369 L CA 1.248 56.079 54.840 -0.015 0.000 0.759 369 L CB -0.094 41.954 42.059 -0.019 0.000 0.903 369 L HN 0.213 nan 8.230 nan 0.000 0.435 370 I N -0.355 120.210 120.570 -0.008 0.000 2.235 370 I HA -0.176 3.993 4.170 -0.001 0.000 0.241 370 I C 2.371 178.485 176.117 -0.005 0.000 1.085 370 I CA 1.424 62.719 61.300 -0.007 0.000 1.378 370 I CB -0.437 37.567 38.000 0.007 0.000 1.076 370 I HN 0.204 nan 8.210 nan 0.000 0.415 371 E N -0.002 120.199 120.200 0.001 0.000 2.158 371 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 371 E C 1.941 178.539 176.600 -0.003 0.000 0.982 371 E CA 0.781 57.181 56.400 0.002 0.000 0.823 371 E CB 0.033 29.735 29.700 0.005 0.000 0.766 371 E HN 0.438 nan 8.360 nan 0.000 0.468 372 E N 0.736 120.933 120.200 -0.006 0.000 2.099 372 E HA -0.001 4.348 4.350 -0.001 0.000 0.191 372 E C 1.834 178.427 176.600 -0.012 0.000 0.962 372 E CA 0.694 57.089 56.400 -0.008 0.000 0.826 372 E CB 0.162 29.858 29.700 -0.007 0.000 0.788 372 E HN 0.099 nan 8.360 nan 0.000 0.461 373 K N 0.428 120.819 120.400 -0.015 0.000 2.141 373 K HA 0.163 4.482 4.320 -0.001 0.000 0.202 373 K C 2.110 178.695 176.600 -0.026 0.000 1.045 373 K CA 0.703 56.978 56.287 -0.020 0.000 0.971 373 K CB 0.109 32.596 32.500 -0.020 0.000 0.795 373 K HN -0.035 nan 8.250 nan 0.000 0.459 374 A N 1.408 124.210 122.820 -0.029 0.000 1.897 374 A HA -0.103 4.217 4.320 -0.001 0.000 0.215 374 A C 2.323 179.887 177.584 -0.033 0.000 1.181 374 A CA 1.517 53.530 52.037 -0.040 0.000 0.620 374 A CB -0.874 18.096 19.000 -0.051 0.000 0.821 374 A HN 0.128 nan 8.150 nan 0.000 0.443 375 V N -0.688 119.214 119.914 -0.021 0.000 2.250 375 V HA -0.368 3.751 4.120 -0.001 0.000 0.253 375 V C 2.273 178.357 176.094 -0.017 0.000 1.065 375 V CA 2.685 64.976 62.300 -0.015 0.000 1.039 375 V CB -1.196 30.623 31.823 -0.007 0.000 0.647 375 V HN 0.531 nan 8.190 nan 0.000 0.446 376 K N -0.880 119.509 120.400 -0.018 0.000 2.360 376 K HA 0.000 4.319 4.320 -0.001 0.000 0.201 376 K C 1.813 178.400 176.600 -0.022 0.000 1.046 376 K CA 1.201 57.478 56.287 -0.017 0.000 0.945 376 K CB -0.094 32.397 32.500 -0.016 0.000 0.750 376 K HN 0.416 nan 8.250 nan 0.000 0.464 377 M N -0.822 118.760 119.600 -0.030 0.000 2.371 377 M HA 0.222 4.702 4.480 -0.001 0.000 0.246 377 M C 0.721 176.997 176.300 -0.040 0.000 1.103 377 M CA 0.568 55.844 55.300 -0.039 0.000 1.010 377 M CB 0.215 32.783 32.600 -0.053 0.000 1.457 377 M HN 0.268 nan 8.290 nan 0.000 0.486 378 G N 2.169 110.950 108.800 -0.032 0.000 2.273 378 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.280 378 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.280 378 G C -0.023 174.855 174.900 -0.037 0.000 1.047 378 G CA 0.496 45.579 45.100 -0.028 0.000 0.869 378 G HN 0.591 nan 8.290 nan 0.000 0.502 379 V N -1.439 118.446 119.914 -0.048 0.000 2.656 379 V HA 0.880 4.999 4.120 -0.001 0.000 0.307 379 V C -0.078 175.987 176.094 -0.048 0.000 1.051 379 V CA -1.452 60.813 62.300 -0.058 0.000 0.893 379 V CB 2.000 33.764 31.823 -0.097 0.000 0.999 379 V HN 0.445 nan 8.190 nan 0.000 0.426 380 L N 6.543 127.746 121.223 -0.033 0.000 2.346 380 L HA 0.738 5.077 4.340 -0.001 0.000 0.276 380 L C -0.017 176.843 176.870 -0.016 0.000 1.006 380 L CA -0.643 54.189 54.840 -0.013 0.000 0.817 380 L CB 1.822 43.890 42.059 0.016 0.000 1.272 380 L HN 0.806 nan 8.230 nan 0.000 0.421 381 M N 2.139 121.737 119.600 -0.005 0.000 2.846 381 M HA 0.566 5.045 4.480 -0.001 0.000 0.282 381 M C -1.470 174.879 176.300 0.081 0.000 1.266 381 M CA -1.014 54.308 55.300 0.036 0.000 0.766 381 M CB 2.487 35.087 32.600 0.000 0.000 1.739 381 M HN 0.295 nan 8.290 nan 0.000 0.442 382 L N 2.431 123.740 121.223 0.143 0.000 2.301 382 L HA 0.564 4.903 4.340 -0.001 0.000 0.278 382 L C -2.557 174.462 176.870 0.249 0.000 1.022 382 L CA -1.482 53.478 54.840 0.201 0.000 0.854 382 L CB 0.802 43.026 42.059 0.275 0.000 1.226 382 L HN 0.290 nan 8.230 nan 0.000 0.429 383 P HA 0.018 nan 4.420 nan 0.000 0.261 383 P C 0.837 178.343 177.300 0.344 0.000 1.165 383 P CA 0.477 63.691 63.100 0.190 0.000 0.759 383 P CB 0.612 32.383 31.700 0.117 0.000 0.772 384 G N 3.190 112.235 108.800 0.408 0.000 2.625 384 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.214 384 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.214 384 G C 1.143 176.444 174.900 0.667 0.000 1.132 384 G CA 0.171 45.739 45.100 0.781 0.000 0.782 384 G HN 0.446 nan 8.290 nan 0.000 0.538 385 N N 1.653 120.556 118.700 0.338 0.000 2.132 385 N HA -0.170 4.569 4.740 -0.001 0.000 0.191 385 N C 2.190 177.808 175.510 0.181 0.000 1.015 385 N CA 1.556 54.739 53.050 0.221 0.000 0.864 385 N CB -0.321 38.217 38.487 0.085 0.000 1.006 385 N HN 0.351 nan 8.380 nan 0.000 0.430 386 A N -0.505 122.264 122.820 -0.085 0.000 2.167 386 A HA 0.095 4.414 4.320 -0.001 0.000 0.214 386 A C 0.933 178.201 177.584 -0.527 0.000 1.151 386 A CA 0.377 52.177 52.037 -0.395 0.000 0.735 386 A CB -0.565 18.033 19.000 -0.669 0.000 0.802 386 A HN 0.287 nan 8.150 nan 0.000 0.467 387 F N -1.525 118.482 119.950 0.096 0.000 2.664 387 F HA 0.284 4.810 4.527 -0.001 0.000 0.301 387 F C -0.263 175.326 175.800 -0.352 0.000 1.126 387 F CA -0.091 57.822 58.000 -0.145 0.000 1.373 387 F CB -0.305 38.532 39.000 -0.272 0.000 1.042 387 F HN 0.135 nan 8.300 nan 0.000 0.535 388 Y N -2.124 118.218 120.300 0.070 0.000 2.462 388 Y HA 0.335 4.884 4.550 -0.002 0.000 0.346 388 Y C 1.009 176.901 175.900 -0.014 0.000 0.976 388 Y CA -1.213 56.917 58.100 0.050 0.000 1.044 388 Y CB 1.362 39.868 38.460 0.075 0.000 1.230 388 Y HN -0.291 nan 8.280 nan 0.000 0.455 389 V N 0.225 120.215 119.914 0.126 0.000 2.277 389 V HA -0.304 3.815 4.120 -0.001 0.000 0.253 389 V C 0.682 176.786 176.094 0.018 0.000 1.067 389 V CA 2.266 64.590 62.300 0.040 0.000 1.047 389 V CB -0.276 31.565 31.823 0.031 0.000 0.649 389 V HN 0.767 nan 8.190 nan 0.000 0.447 390 D N -0.416 120.020 120.400 0.060 0.000 2.494 390 D HA 0.149 4.789 4.640 -0.001 0.000 0.217 390 D C 1.340 177.659 176.300 0.032 0.000 1.153 390 D CA 0.549 54.560 54.000 0.018 0.000 0.954 390 D CB 0.720 41.528 40.800 0.013 0.000 1.034 390 D HN 0.378 nan 8.370 nan 0.000 0.518 391 S N 0.934 116.640 115.700 0.009 0.000 2.507 391 S HA -0.130 4.339 4.470 -0.001 0.000 0.235 391 S C 1.862 176.458 174.600 -0.006 0.000 0.988 391 S CA 0.342 58.552 58.200 0.016 0.000 0.944 391 S CB 0.074 63.253 63.200 -0.036 0.000 0.762 391 S HN 0.249 nan 8.310 nan 0.000 0.526 392 S N 1.407 117.094 115.700 -0.022 0.000 2.436 392 S HA 0.414 4.883 4.470 -0.001 0.000 0.228 392 S C 1.132 175.712 174.600 -0.032 0.000 1.014 392 S CA 0.365 58.549 58.200 -0.027 0.000 0.950 392 S CB -0.600 62.582 63.200 -0.029 0.000 0.784 392 S HN 0.808 nan 8.310 nan 0.000 0.504 393 A N 2.728 125.521 122.820 -0.046 0.000 2.555 393 A HA 0.330 4.649 4.320 -0.001 0.000 0.233 393 A C -2.403 175.140 177.584 -0.070 0.000 1.060 393 A CA -0.840 51.156 52.037 -0.069 0.000 0.759 393 A CB -0.419 18.514 19.000 -0.112 0.000 0.995 393 A HN 0.223 nan 8.150 nan 0.000 0.506 394 P HA 0.170 nan 4.420 nan 0.000 0.268 394 P C -0.417 176.851 177.300 -0.053 0.000 1.205 394 P CA 0.181 63.257 63.100 -0.041 0.000 0.771 394 P CB 0.821 32.501 31.700 -0.033 0.000 0.858 395 S N 2.812 118.507 115.700 -0.009 0.000 2.605 395 S HA 0.450 4.919 4.470 -0.001 0.000 0.308 395 S C -2.019 172.599 174.600 0.030 0.000 1.113 395 S CA -1.937 56.291 58.200 0.047 0.000 1.049 395 S CB 0.945 64.234 63.200 0.148 0.000 1.001 395 S HN 0.265 nan 8.310 nan 0.000 0.480 396 P HA 0.079 nan 4.420 nan 0.000 0.249 396 P C -0.708 176.401 177.300 -0.319 0.000 1.241 396 P CA 0.202 63.189 63.100 -0.188 0.000 0.781 396 P CB -0.234 31.299 31.700 -0.279 0.000 1.088 397 Y N -0.015 120.165 120.300 -0.200 0.000 2.360 397 Y HA 0.413 4.962 4.550 -0.001 0.000 0.337 397 Y C 0.762 176.451 175.900 -0.352 0.000 1.039 397 Y CA -0.859 56.940 58.100 -0.502 0.000 1.109 397 Y CB 1.601 39.425 38.460 -1.060 0.000 1.201 397 Y HN -0.271 nan 8.280 nan 0.000 0.458 398 L N 4.204 125.331 121.223 -0.160 0.000 2.322 398 L HA 0.551 4.891 4.340 -0.001 0.000 0.281 398 L C -0.142 176.832 176.870 0.174 0.000 1.014 398 L CA -0.882 53.981 54.840 0.039 0.000 0.815 398 L CB 1.740 43.813 42.059 0.023 0.000 1.247 398 L HN 0.526 nan 8.230 nan 0.000 0.421 399 R N 2.592 123.321 120.500 0.383 0.000 2.254 399 R HA 0.679 5.018 4.340 -0.001 0.000 0.318 399 R C -0.883 175.605 176.300 0.314 0.000 1.031 399 R CA -0.309 56.063 56.100 0.453 0.000 0.905 399 R CB 1.267 31.713 30.300 0.243 0.000 1.050 399 R HN 0.736 nan 8.270 nan 0.000 0.456 400 A N 3.186 126.220 122.820 0.357 0.000 2.330 400 A HA 0.285 4.604 4.320 -0.001 0.000 0.313 400 A C -0.595 177.233 177.584 0.407 0.000 1.124 400 A CA -0.557 51.669 52.037 0.314 0.000 0.774 400 A CB 1.717 20.843 19.000 0.210 0.000 1.198 400 A HN 0.671 nan 8.150 nan 0.000 0.465 401 S N 1.700 117.611 115.700 0.352 0.000 2.499 401 S HA 0.453 4.922 4.470 -0.001 0.000 0.275 401 S C 0.209 174.903 174.600 0.157 0.000 1.257 401 S CA -0.336 57.994 58.200 0.217 0.000 1.050 401 S CB -0.286 63.068 63.200 0.256 0.000 0.937 401 S HN 1.141 nan 8.310 nan 0.000 0.490 402 F N 3.095 123.098 119.950 0.089 0.000 2.654 402 F HA 0.331 4.858 4.527 -0.001 0.000 0.303 402 F C 1.676 177.521 175.800 0.075 0.000 1.099 402 F CA -0.148 57.899 58.000 0.079 0.000 1.270 402 F CB -0.897 38.139 39.000 0.060 0.000 1.024 402 F HN 0.571 nan 8.300 nan 0.000 0.548 403 S N -0.790 114.927 115.700 0.030 0.000 2.469 403 S HA -0.078 4.391 4.470 -0.001 0.000 0.238 403 S C 1.363 176.053 174.600 0.150 0.000 0.998 403 S CA 1.391 59.673 58.200 0.138 0.000 0.957 403 S CB -0.466 62.822 63.200 0.148 0.000 0.764 403 S HN 0.385 nan 8.310 nan 0.000 0.514 404 S N -0.049 115.739 115.700 0.147 0.000 2.917 404 S HA 0.552 5.021 4.470 -0.001 0.000 0.269 404 S C 0.585 175.260 174.600 0.125 0.000 1.072 404 S CA 0.020 58.302 58.200 0.136 0.000 0.967 404 S CB 0.102 63.363 63.200 0.101 0.000 0.906 404 S HN 0.727 nan 8.310 nan 0.000 0.463 405 A N 2.891 125.780 122.820 0.114 0.000 2.407 405 A HA 0.605 4.924 4.320 -0.001 0.000 0.248 405 A C 0.640 178.273 177.584 0.081 0.000 1.082 405 A CA -0.155 51.938 52.037 0.093 0.000 0.785 405 A CB 0.090 19.149 19.000 0.098 0.000 1.020 405 A HN 0.502 nan 8.150 nan 0.000 0.489 406 S N 2.006 117.745 115.700 0.065 0.000 2.603 406 S HA 0.370 4.839 4.470 -0.001 0.000 0.268 406 S C -2.003 172.623 174.600 0.042 0.000 1.317 406 S CA -0.857 57.372 58.200 0.048 0.000 1.012 406 S CB 0.608 63.834 63.200 0.044 0.000 0.926 406 S HN 0.423 nan 8.310 nan 0.000 0.539 407 P HA -0.094 nan 4.420 nan 0.000 0.217 407 P C 0.903 178.234 177.300 0.051 0.000 1.148 407 P CA 1.278 64.391 63.100 0.021 0.000 0.828 407 P CB 0.025 31.721 31.700 -0.007 0.000 0.783 408 E N -0.841 119.389 120.200 0.049 0.000 2.072 408 E HA -0.150 4.199 4.350 -0.001 0.000 0.190 408 E C 2.162 178.799 176.600 0.063 0.000 0.982 408 E CA 1.012 57.446 56.400 0.058 0.000 0.803 408 E CB -0.649 29.076 29.700 0.042 0.000 0.755 408 E HN 0.344 nan 8.360 nan 0.000 0.453 409 Q N -0.170 119.664 119.800 0.057 0.000 2.050 409 Q HA -0.116 4.223 4.340 -0.001 0.000 0.202 409 Q C 2.143 178.189 176.000 0.076 0.000 0.980 409 Q CA 1.547 57.381 55.803 0.052 0.000 0.840 409 Q CB -0.139 28.629 28.738 0.050 0.000 0.898 409 Q HN 0.329 nan 8.270 nan 0.000 0.424 410 M N 0.048 119.721 119.600 0.121 0.000 2.213 410 M HA -0.171 4.308 4.480 -0.001 0.000 0.263 410 M C 1.533 178.011 176.300 0.297 0.000 1.062 410 M CA 1.364 56.801 55.300 0.230 0.000 1.105 410 M CB -0.190 32.564 32.600 0.256 0.000 1.385 410 M HN 0.165 nan 8.290 nan 0.000 0.417 411 D N 0.192 120.715 120.400 0.204 0.000 2.084 411 D HA -0.129 4.510 4.640 -0.001 0.000 0.196 411 D C 1.799 178.154 176.300 0.092 0.000 0.985 411 D CA 1.237 55.388 54.000 0.253 0.000 0.826 411 D CB 0.249 41.192 40.800 0.238 0.000 0.978 411 D HN 0.068 nan 8.370 nan 0.000 0.456 412 V N 0.724 120.648 119.914 0.017 0.000 2.358 412 V HA -0.146 3.974 4.120 -0.001 0.000 0.246 412 V C 2.533 178.535 176.094 -0.154 0.000 1.047 412 V CA 1.551 63.792 62.300 -0.099 0.000 1.035 412 V CB -0.870 30.921 31.823 -0.054 0.000 0.658 412 V HN 0.344 nan 8.190 nan 0.000 0.452 413 A N -0.235 122.528 122.820 -0.094 0.000 1.892 413 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 413 A C 2.079 179.498 177.584 -0.276 0.000 1.188 413 A CA 2.131 54.064 52.037 -0.174 0.000 0.631 413 A CB -0.784 18.115 19.000 -0.169 0.000 0.822 413 A HN 0.473 nan 8.150 nan 0.000 0.447 414 F N 0.034 119.881 119.950 -0.171 0.000 2.113 414 F HA -0.182 4.345 4.527 -0.001 0.000 0.297 414 F C 2.807 178.347 175.800 -0.433 0.000 1.103 414 F CA 1.838 59.736 58.000 -0.171 0.000 1.248 414 F CB -0.424 38.595 39.000 0.031 0.000 0.999 414 F HN 0.492 nan 8.300 nan 0.000 0.475 415 Q N 0.347 119.598 119.800 -0.916 0.000 2.096 415 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 415 Q C 1.875 177.508 176.000 -0.610 0.000 0.982 415 Q CA 2.410 57.346 55.803 -1.445 0.000 0.850 415 Q CB -0.944 26.638 28.738 -1.927 0.000 0.901 415 Q HN 0.256 nan 8.270 nan 0.000 0.422 416 V N 1.111 120.777 119.914 -0.413 0.000 2.407 416 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 416 V C 2.402 178.389 176.094 -0.179 0.000 1.055 416 V CA 1.629 63.780 62.300 -0.248 0.000 1.049 416 V CB -0.636 31.071 31.823 -0.193 0.000 0.662 416 V HN 0.504 nan 8.190 nan 0.000 0.455 417 L N 0.127 121.240 121.223 -0.183 0.000 2.017 417 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 417 L C 2.616 179.457 176.870 -0.050 0.000 1.073 417 L CA 2.281 57.047 54.840 -0.124 0.000 0.745 417 L CB -0.744 41.210 42.059 -0.175 0.000 0.894 417 L HN 0.382 nan 8.230 nan 0.000 0.432 418 A N -0.557 122.256 122.820 -0.011 0.000 1.908 418 A HA -0.311 4.008 4.320 -0.001 0.000 0.218 418 A C 2.095 179.700 177.584 0.035 0.000 1.181 418 A CA 1.973 54.056 52.037 0.076 0.000 0.627 418 A CB -0.606 18.520 19.000 0.210 0.000 0.818 418 A HN 0.564 nan 8.150 nan 0.000 0.445 419 Q N -0.152 119.637 119.800 -0.019 0.000 2.119 419 Q HA 0.004 4.343 4.340 -0.001 0.000 0.201 419 Q C 1.815 177.805 176.000 -0.018 0.000 0.972 419 Q CA 1.420 57.215 55.803 -0.014 0.000 0.847 419 Q CB -0.481 28.227 28.738 -0.051 0.000 0.903 419 Q HN 0.653 nan 8.270 nan 0.000 0.433 420 L N -0.417 120.784 121.223 -0.036 0.000 2.046 420 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 420 L C 2.260 179.120 176.870 -0.016 0.000 1.077 420 L CA 1.069 55.890 54.840 -0.030 0.000 0.747 420 L CB -0.357 41.675 42.059 -0.043 0.000 0.896 420 L HN 0.292 nan 8.230 nan 0.000 0.432 421 I N -0.420 120.146 120.570 -0.008 0.000 2.315 421 I HA -0.286 3.883 4.170 -0.001 0.000 0.248 421 I C 2.418 178.541 176.117 0.010 0.000 1.117 421 I CA 1.322 62.623 61.300 0.002 0.000 1.404 421 I CB -0.181 37.829 38.000 0.016 0.000 1.071 421 I HN 0.189 nan 8.210 nan 0.000 0.419 422 K N 0.415 120.826 120.400 0.019 0.000 2.228 422 K HA -0.110 4.209 4.320 -0.001 0.000 0.202 422 K C 1.728 178.336 176.600 0.012 0.000 1.051 422 K CA 0.875 57.176 56.287 0.022 0.000 0.960 422 K CB 0.008 32.530 32.500 0.037 0.000 0.743 422 K HN 0.333 nan 8.250 nan 0.000 0.458 423 E N 0.024 120.227 120.200 0.005 0.000 2.427 423 E HA -0.028 4.321 4.350 -0.001 0.000 0.196 423 E C 1.394 177.992 176.600 -0.003 0.000 1.028 423 E CA 0.427 56.827 56.400 0.000 0.000 0.864 423 E CB 0.308 30.005 29.700 -0.005 0.000 0.813 423 E HN 0.049 nan 8.360 nan 0.000 0.514 424 S N 0.087 115.785 115.700 -0.004 0.000 2.486 424 S HA 0.132 4.601 4.470 -0.001 0.000 0.220 424 S C 0.854 175.452 174.600 -0.005 0.000 1.011 424 S CA -0.110 58.086 58.200 -0.006 0.000 0.921 424 S CB 0.345 63.539 63.200 -0.010 0.000 0.785 424 S HN 0.115 nan 8.310 nan 0.000 0.517 425 L N 0.000 121.222 121.223 -0.001 0.000 2.949 425 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 425 L CA 0.000 54.840 54.840 0.000 0.000 0.813 425 L CB 0.000 42.062 42.059 0.005 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502