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 3o4i_1_B DATA FIRST_RESID 6 DATA SEQUENCE PVEFSRIVRD VERLIAVEKY SLQGVVDGDK LLVVGFSEGS VNAYLYDGGE DATA SEQUENCE TVKLNREPIN SVLDPHYGVG RVILVRDVSK GAEQHALFKV NTSRPGEEQR DATA SEQUENCE LEAVKPMRIL SGVDTGEAVV FTGATEDRVA LYALDGGGLR ELARLPGFGF DATA SEQUENCE VSDIRGDLIA GLGFFGGGRV SLFTSNLSSG GLRVFDSGEG SFSSASISPG DATA SEQUENCE MKVTAGLETA REARLVTVDP RDGSVEDLEL PSKDFSSYRP TAITWLGYLP DATA SEQUENCE DGRLAVVARR EGRSAVFIDG ERVEAPQGNH GRVVLWRGKL VTSHTSLSTP DATA SEQUENCE PRIVSLPSGE PLLEGGLPED LRRSIAGSRL VWVESFDGSR VPTYVLESGR DATA SEQUENCE APTPGPTVVL VHGGPFAEDS DSWDTFAASL AAAGFHVVMP NYRGSTGYGE DATA SEQUENCE EWRLKIIGDP CGGELEDVSA AARWARESGL ASELYIMGYS YGGYMTLCAL DATA SEQUENCE TMKPGLFKAG VAGASVVDWE EMYELSDAAF RNFIEQLTGG SREIMRSRSP DATA SEQUENCE INHVDRIKEP LALIHPQNAS RTPLKPLLRL MGELLARGKT FEAHIIPDAG DATA SEQUENCE HAINTMEDAV KILLPAVFFL ATQRER 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.194 177.300 -0.176 0.000 1.155 6 P CA 0.000 63.048 63.100 -0.086 0.000 0.800 6 P CB 0.000 31.674 31.700 -0.044 0.000 0.726 7 V N 2.099 121.824 119.914 -0.315 0.000 2.763 7 V HA 0.013 4.132 4.120 -0.002 0.000 0.306 7 V C 1.089 176.785 176.094 -0.663 0.000 1.059 7 V CA 0.277 62.219 62.300 -0.596 0.000 1.138 7 V CB 0.289 31.506 31.823 -1.010 0.000 0.940 7 V HN 0.493 nan 8.190 nan 0.000 0.489 8 E N 4.042 123.959 120.200 -0.471 0.000 2.127 8 E HA 0.181 4.530 4.350 -0.002 0.000 0.262 8 E C 0.260 176.732 176.600 -0.213 0.000 1.144 8 E CA -0.034 56.212 56.400 -0.256 0.000 1.144 8 E CB 0.175 29.798 29.700 -0.128 0.000 1.297 8 E HN 0.656 nan 8.360 nan 0.000 0.469 9 F N 1.142 121.020 119.950 -0.120 0.000 2.069 9 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 9 F C 2.730 178.544 175.800 0.024 0.000 1.113 9 F CA 1.699 59.590 58.000 -0.182 0.000 1.214 9 F CB -0.355 38.423 39.000 -0.369 0.000 0.978 9 F HN 0.285 nan 8.300 nan 0.000 0.474 10 S N 0.115 115.940 115.700 0.208 0.000 2.402 10 S HA -0.211 4.258 4.470 -0.002 0.000 0.229 10 S C 1.930 176.600 174.600 0.117 0.000 1.021 10 S CA 1.061 59.353 58.200 0.153 0.000 0.974 10 S CB -0.712 62.548 63.200 0.101 0.000 0.800 10 S HN 0.358 nan 8.310 nan 0.000 0.484 11 R N 1.207 121.757 120.500 0.083 0.000 2.096 11 R HA 0.062 4.401 4.340 -0.002 0.000 0.235 11 R C 2.168 178.518 176.300 0.084 0.000 1.127 11 R CA 1.433 57.569 56.100 0.060 0.000 0.968 11 R CB -0.433 29.882 30.300 0.024 0.000 0.861 11 R HN 0.464 nan 8.270 nan 0.000 0.440 12 I N -0.065 120.580 120.570 0.126 0.000 2.252 12 I HA -0.249 3.920 4.170 -0.002 0.000 0.245 12 I C 2.184 178.399 176.117 0.162 0.000 1.102 12 I CA 0.912 62.314 61.300 0.170 0.000 1.385 12 I CB -0.120 38.060 38.000 0.300 0.000 1.064 12 I HN 0.056 nan 8.210 nan 0.000 0.414 13 V N 0.807 120.847 119.914 0.210 0.000 2.307 13 V HA -0.267 3.851 4.120 -0.002 0.000 0.245 13 V C 2.677 178.820 176.094 0.081 0.000 1.045 13 V CA 1.779 64.168 62.300 0.149 0.000 1.024 13 V CB -0.717 31.224 31.823 0.195 0.000 0.651 13 V HN 0.411 nan 8.190 nan 0.000 0.449 14 R N 0.004 120.552 120.500 0.081 0.000 2.083 14 R HA -0.215 4.124 4.340 -0.002 0.000 0.237 14 R C 2.042 178.369 176.300 0.045 0.000 1.137 14 R CA 2.341 58.473 56.100 0.054 0.000 0.951 14 R CB -0.586 29.745 30.300 0.052 0.000 0.851 14 R HN 0.516 nan 8.270 nan 0.000 0.434 15 D N -0.049 120.381 120.400 0.051 0.000 2.084 15 D HA -0.131 4.507 4.640 -0.002 0.000 0.194 15 D C 2.017 178.340 176.300 0.039 0.000 0.990 15 D CA 1.279 55.307 54.000 0.047 0.000 0.826 15 D CB -0.337 40.494 40.800 0.052 0.000 0.971 15 D HN 0.067 nan 8.370 nan 0.000 0.453 16 V N 1.001 120.930 119.914 0.025 0.000 2.332 16 V HA -0.241 3.877 4.120 -0.002 0.000 0.248 16 V C 2.428 178.516 176.094 -0.009 0.000 1.055 16 V CA 1.840 64.134 62.300 -0.010 0.000 1.038 16 V CB -0.442 31.353 31.823 -0.047 0.000 0.651 16 V HN 0.244 nan 8.190 nan 0.000 0.450 17 E N -0.302 119.899 120.200 0.002 0.000 2.110 17 E HA -0.211 4.137 4.350 -0.002 0.000 0.193 17 E C 2.490 179.096 176.600 0.010 0.000 0.988 17 E CA 0.873 57.273 56.400 0.000 0.000 0.804 17 E CB 0.036 29.741 29.700 0.008 0.000 0.745 17 E HN 0.438 nan 8.360 nan 0.000 0.458 18 R N 0.099 120.613 120.500 0.023 0.000 2.075 18 R HA -0.077 4.262 4.340 -0.002 0.000 0.232 18 R C 2.505 178.829 176.300 0.041 0.000 1.126 18 R CA 0.722 56.837 56.100 0.026 0.000 0.963 18 R CB -0.458 29.862 30.300 0.033 0.000 0.858 18 R HN 0.317 nan 8.270 nan 0.000 0.435 19 L N 0.467 121.732 121.223 0.069 0.000 2.141 19 L HA -0.121 4.218 4.340 -0.002 0.000 0.209 19 L C 2.319 179.264 176.870 0.125 0.000 1.094 19 L CA 0.754 55.683 54.840 0.148 0.000 0.763 19 L CB -0.297 41.858 42.059 0.160 0.000 0.908 19 L HN 0.096 nan 8.230 nan 0.000 0.437 20 I N -0.033 120.564 120.570 0.044 0.000 2.546 20 I HA -0.148 4.021 4.170 -0.002 0.000 0.255 20 I C 2.521 178.644 176.117 0.010 0.000 1.163 20 I CA 1.262 62.571 61.300 0.014 0.000 1.457 20 I CB -0.942 37.040 38.000 -0.029 0.000 1.092 20 I HN 0.166 nan 8.210 nan 0.000 0.434 21 A N 0.610 123.433 122.820 0.004 0.000 2.095 21 A HA 0.110 4.429 4.320 -0.002 0.000 0.212 21 A C 1.158 178.722 177.584 -0.035 0.000 1.162 21 A CA -0.079 51.951 52.037 -0.012 0.000 0.753 21 A CB -0.500 18.495 19.000 -0.009 0.000 0.840 21 A HN 0.156 nan 8.150 nan 0.000 0.468 22 V N 0.751 120.638 119.914 -0.046 0.000 2.681 22 V HA -0.016 4.103 4.120 -0.002 0.000 0.306 22 V C 0.141 176.143 176.094 -0.155 0.000 1.077 22 V CA -0.437 61.803 62.300 -0.101 0.000 1.224 22 V CB -0.366 31.363 31.823 -0.156 0.000 0.879 22 V HN 0.418 nan 8.190 nan 0.000 0.494 23 E N 3.819 123.903 120.200 -0.193 0.000 2.417 23 E HA 0.139 4.488 4.350 -0.002 0.000 0.261 23 E C -0.235 176.071 176.600 -0.491 0.000 1.000 23 E CA 0.254 56.438 56.400 -0.360 0.000 0.919 23 E CB 0.664 30.084 29.700 -0.467 0.000 0.955 23 E HN 0.655 nan 8.360 nan 0.000 0.455 24 K N 3.293 123.425 120.400 -0.447 0.000 2.358 24 K HA 0.311 4.630 4.320 -0.002 0.000 0.260 24 K C -0.907 175.505 176.600 -0.312 0.000 0.956 24 K CA -0.493 55.591 56.287 -0.338 0.000 0.834 24 K CB 1.133 33.493 32.500 -0.233 0.000 1.102 24 K HN 0.349 nan 8.250 nan 0.000 0.431 25 Y N 0.301 120.593 120.300 -0.015 0.000 2.419 25 Y HA 0.399 4.948 4.550 -0.002 0.000 0.328 25 Y C 0.595 176.518 175.900 0.039 0.000 1.162 25 Y CA -0.410 57.704 58.100 0.023 0.000 1.174 25 Y CB 2.174 40.583 38.460 -0.086 0.000 1.228 25 Y HN 0.492 nan 8.280 nan 0.000 0.473 26 S N 2.366 118.226 115.700 0.267 0.000 2.540 26 S HA 0.572 5.041 4.470 -0.002 0.000 0.275 26 S C -2.035 172.606 174.600 0.069 0.000 1.123 26 S CA -0.723 57.566 58.200 0.148 0.000 0.907 26 S CB 1.110 64.451 63.200 0.235 0.000 1.081 26 S HN 0.592 nan 8.310 nan 0.000 0.476 27 L N 4.150 125.360 121.223 -0.022 0.000 2.295 27 L HA 0.628 4.967 4.340 -0.002 0.000 0.285 27 L C 0.680 177.493 176.870 -0.095 0.000 1.035 27 L CA 0.155 54.944 54.840 -0.085 0.000 0.806 27 L CB 1.357 43.332 42.059 -0.141 0.000 1.214 27 L HN 0.822 nan 8.230 nan 0.000 0.426 28 Q N 3.866 123.615 119.800 -0.084 0.000 2.431 28 Q HA 0.512 4.851 4.340 -0.002 0.000 0.244 28 Q C 0.501 176.453 176.000 -0.080 0.000 0.880 28 Q CA 0.612 56.378 55.803 -0.061 0.000 0.954 28 Q CB 1.307 30.028 28.738 -0.029 0.000 1.105 28 Q HN 0.896 nan 8.270 nan 0.000 0.558 29 G N -0.247 108.476 108.800 -0.129 0.000 2.337 29 G HA2 0.251 4.209 3.960 -0.002 0.000 0.298 29 G HA3 0.251 4.209 3.960 -0.002 0.000 0.298 29 G C -1.776 172.975 174.900 -0.249 0.000 1.335 29 G CA -0.755 44.227 45.100 -0.197 0.000 0.875 29 G HN -0.097 nan 8.290 nan 0.000 0.579 30 V N 0.752 120.419 119.914 -0.412 0.000 2.398 30 V HA 0.704 4.823 4.120 -0.002 0.000 0.286 30 V C 0.722 176.721 176.094 -0.158 0.000 1.026 30 V CA -0.182 61.950 62.300 -0.280 0.000 0.868 30 V CB 0.809 32.441 31.823 -0.317 0.000 0.982 30 V HN 1.350 nan 8.190 nan 0.000 0.443 31 V N 1.336 121.223 119.914 -0.045 0.000 3.158 31 V HA 0.870 4.989 4.120 -0.002 0.000 0.315 31 V C -0.056 176.067 176.094 0.048 0.000 1.148 31 V CA -0.264 62.039 62.300 0.007 0.000 1.042 31 V CB 1.429 33.253 31.823 0.001 0.000 1.101 31 V HN 0.868 nan 8.190 nan 0.000 0.448 32 D N 0.681 121.114 120.400 0.055 0.000 3.396 32 D HA -0.118 4.521 4.640 -0.002 0.000 0.196 32 D C 0.760 177.106 176.300 0.077 0.000 1.347 32 D CA 1.835 55.871 54.000 0.059 0.000 1.106 32 D CB -1.389 39.441 40.800 0.051 0.000 0.619 32 D HN 1.574 nan 8.370 nan 0.000 0.728 33 G N -0.079 108.766 108.800 0.075 0.000 3.636 33 G HA2 0.376 4.335 3.960 -0.002 0.000 0.260 33 G HA3 0.376 4.335 3.960 -0.002 0.000 0.260 33 G C -0.366 174.602 174.900 0.113 0.000 1.014 33 G CA 0.707 45.855 45.100 0.079 0.000 1.797 33 G HN 0.689 nan 8.290 nan 0.000 0.637 34 D N -0.193 120.299 120.400 0.153 0.000 2.739 34 D HA -0.132 4.507 4.640 -0.002 0.000 0.240 34 D C 0.379 176.906 176.300 0.378 0.000 1.114 34 D CA 1.038 55.184 54.000 0.244 0.000 0.695 34 D CB -0.689 40.201 40.800 0.151 0.000 1.078 34 D HN 0.509 nan 8.370 nan 0.000 0.434 35 K N 0.084 120.626 120.400 0.237 0.000 2.208 35 K HA 0.582 4.901 4.320 -0.002 0.000 0.247 35 K C 0.567 177.157 176.600 -0.017 0.000 0.953 35 K CA -0.951 55.430 56.287 0.158 0.000 0.837 35 K CB 1.609 34.156 32.500 0.078 0.000 1.131 35 K HN 0.032 nan 8.250 nan 0.000 0.431 36 L N 2.504 123.599 121.223 -0.213 0.000 2.371 36 L HA 0.278 4.617 4.340 -0.002 0.000 0.272 36 L C -0.294 176.502 176.870 -0.122 0.000 1.124 36 L CA -0.913 53.763 54.840 -0.273 0.000 0.816 36 L CB 0.483 42.278 42.059 -0.441 0.000 1.129 36 L HN 0.370 nan 8.230 nan 0.000 0.448 37 L N 5.126 126.281 121.223 -0.112 0.000 2.262 37 L HA 0.506 4.845 4.340 -0.002 0.000 0.288 37 L C -0.315 176.525 176.870 -0.051 0.000 1.035 37 L CA -0.257 54.550 54.840 -0.056 0.000 0.820 37 L CB 1.376 43.404 42.059 -0.052 0.000 1.204 37 L HN 0.366 nan 8.230 nan 0.000 0.424 38 V N 3.649 123.566 119.914 0.004 0.000 2.769 38 V HA 0.777 4.896 4.120 -0.002 0.000 0.312 38 V C -0.628 175.544 176.094 0.131 0.000 1.061 38 V CA -0.697 61.632 62.300 0.048 0.000 0.931 38 V CB 1.893 33.729 31.823 0.022 0.000 1.010 38 V HN 0.435 nan 8.190 nan 0.000 0.433 39 V N 3.037 123.017 119.914 0.110 0.000 2.483 39 V HA 0.813 4.932 4.120 -0.002 0.000 0.295 39 V C 0.880 177.021 176.094 0.077 0.000 1.035 39 V CA 0.298 62.611 62.300 0.022 0.000 0.896 39 V CB 1.479 33.213 31.823 -0.147 0.000 0.986 39 V HN 1.281 nan 8.190 nan 0.000 0.447 40 G N 3.153 111.978 108.800 0.042 0.000 2.417 40 G HA2 0.670 4.629 3.960 -0.002 0.000 0.320 40 G HA3 0.670 4.629 3.960 -0.002 0.000 0.320 40 G C -1.177 173.560 174.900 -0.272 0.000 1.204 40 G CA -0.337 44.738 45.100 -0.042 0.000 0.923 40 G HN 0.435 nan 8.290 nan 0.000 0.466 41 F N 1.510 121.359 119.950 -0.168 0.000 2.427 41 F HA 0.627 5.153 4.527 -0.002 0.000 0.346 41 F C 0.677 176.387 175.800 -0.150 0.000 1.120 41 F CA -0.638 57.287 58.000 -0.124 0.000 1.033 41 F CB 2.568 41.501 39.000 -0.112 0.000 1.126 41 F HN 0.420 nan 8.300 nan 0.000 0.462 42 S N 2.711 118.442 115.700 0.052 0.000 2.668 42 S HA 0.276 4.744 4.470 -0.002 0.000 0.277 42 S C -0.540 174.070 174.600 0.017 0.000 1.170 42 S CA -0.557 57.647 58.200 0.006 0.000 0.994 42 S CB 0.678 63.859 63.200 -0.031 0.000 1.051 42 S HN 0.783 nan 8.310 nan 0.000 0.484 43 E N 2.712 122.922 120.200 0.016 0.000 2.269 43 E HA -0.232 4.117 4.350 -0.002 0.000 0.223 43 E C 0.835 177.448 176.600 0.021 0.000 1.244 43 E CA 0.768 57.174 56.400 0.009 0.000 0.713 43 E CB -1.619 28.079 29.700 -0.004 0.000 1.178 43 E HN 1.562 nan 8.360 nan 0.000 0.370 44 G N 0.236 109.068 108.800 0.053 0.000 2.269 44 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.277 44 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.277 44 G C 0.129 175.056 174.900 0.046 0.000 1.008 44 G CA 0.866 46.011 45.100 0.076 0.000 0.774 44 G HN 0.435 nan 8.290 nan 0.000 0.511 45 S N -0.759 114.952 115.700 0.019 0.000 2.457 45 S HA 0.614 5.083 4.470 -0.002 0.000 0.289 45 S C 0.358 174.904 174.600 -0.091 0.000 1.163 45 S CA -0.484 57.698 58.200 -0.029 0.000 1.078 45 S CB 1.237 64.418 63.200 -0.031 0.000 0.987 45 S HN 0.650 nan 8.310 nan 0.000 0.482 46 V N 6.562 126.376 119.914 -0.167 0.000 2.472 46 V HA 0.576 4.695 4.120 -0.002 0.000 0.290 46 V C 0.014 175.937 176.094 -0.286 0.000 1.037 46 V CA -0.874 61.220 62.300 -0.343 0.000 0.908 46 V CB 1.538 33.100 31.823 -0.435 0.000 0.985 46 V HN 0.828 nan 8.190 nan 0.000 0.454 47 N N 1.796 120.301 118.700 -0.324 0.000 2.284 47 N HA 0.728 5.467 4.740 -0.002 0.000 0.289 47 N C -0.868 174.316 175.510 -0.542 0.000 1.179 47 N CA -0.426 52.377 53.050 -0.411 0.000 0.774 47 N CB 2.678 40.913 38.487 -0.421 0.000 1.548 47 N HN 0.780 nan 8.380 nan 0.000 0.473 48 A N 1.312 123.771 122.820 -0.603 0.000 2.324 48 A HA 0.764 5.083 4.320 -0.002 0.000 0.330 48 A C -1.601 175.635 177.584 -0.581 0.000 1.165 48 A CA -0.360 51.411 52.037 -0.444 0.000 0.813 48 A CB 0.498 19.355 19.000 -0.238 0.000 1.197 48 A HN 0.630 nan 8.150 nan 0.000 0.484 49 Y N 0.824 121.104 120.300 -0.034 0.000 2.492 49 Y HA 0.486 5.035 4.550 -0.002 0.000 0.346 49 Y C -0.228 175.663 175.900 -0.015 0.000 0.997 49 Y CA -0.674 57.418 58.100 -0.013 0.000 1.025 49 Y CB 1.932 40.400 38.460 0.014 0.000 1.263 49 Y HN 0.554 nan 8.280 nan 0.000 0.454 50 L N 3.540 124.852 121.223 0.148 0.000 2.305 50 L HA 0.307 4.646 4.340 -0.002 0.000 0.281 50 L C -0.950 175.994 176.870 0.123 0.000 1.085 50 L CA -0.534 54.360 54.840 0.090 0.000 0.813 50 L CB 0.498 42.587 42.059 0.050 0.000 1.157 50 L HN 0.585 nan 8.230 nan 0.000 0.436 51 Y N 2.423 122.670 120.300 -0.089 0.000 2.393 51 Y HA 0.341 4.890 4.550 -0.002 0.000 0.341 51 Y C -0.369 175.457 175.900 -0.123 0.000 0.988 51 Y CA -0.843 57.173 58.100 -0.141 0.000 1.078 51 Y CB 1.771 40.067 38.460 -0.273 0.000 1.203 51 Y HN 0.632 nan 8.280 nan 0.000 0.453 52 D N 3.349 123.442 120.400 -0.511 0.000 2.822 52 D HA 0.336 4.975 4.640 -0.002 0.000 0.327 52 D C -0.530 175.619 176.300 -0.253 0.000 1.577 52 D CA 0.647 54.533 54.000 -0.190 0.000 0.785 52 D CB -0.051 40.749 40.800 0.000 0.000 1.199 52 D HN 1.017 nan 8.370 nan 0.000 0.443 53 G N -0.429 107.854 108.800 -0.862 0.000 3.421 53 G HA2 0.441 4.399 3.960 -0.002 0.000 0.686 53 G HA3 0.441 4.399 3.960 -0.002 0.000 0.686 53 G C 0.729 175.432 174.900 -0.327 0.000 1.056 53 G CA -0.061 44.802 45.100 -0.394 0.000 0.891 53 G HN 1.208 nan 8.290 nan 0.000 0.514 54 G N 0.873 109.557 108.800 -0.193 0.000 2.866 54 G HA2 0.115 4.074 3.960 -0.002 0.000 0.274 54 G HA3 0.115 4.074 3.960 -0.002 0.000 0.274 54 G C 0.385 175.271 174.900 -0.023 0.000 1.413 54 G CA 1.090 46.156 45.100 -0.057 0.000 0.997 54 G HN 1.940 nan 8.290 nan 0.000 0.559 55 E N 1.281 121.451 120.200 -0.049 0.000 2.283 55 E HA 0.636 4.985 4.350 -0.002 0.000 0.271 55 E C 0.819 177.422 176.600 0.005 0.000 1.031 55 E CA 0.324 56.721 56.400 -0.005 0.000 0.868 55 E CB 1.266 30.964 29.700 -0.003 0.000 1.094 55 E HN 1.177 nan 8.360 nan 0.000 0.401 56 T N -1.147 113.428 114.554 0.036 0.000 2.918 56 T HA 0.628 4.977 4.350 -0.002 0.000 0.283 56 T C -0.130 174.629 174.700 0.098 0.000 1.001 56 T CA -0.713 61.424 62.100 0.063 0.000 1.041 56 T CB 1.242 70.069 68.868 -0.068 0.000 1.028 56 T HN 0.256 nan 8.240 nan 0.000 0.511 57 V N 2.037 122.046 119.914 0.158 0.000 2.531 57 V HA 0.436 4.555 4.120 -0.002 0.000 0.301 57 V C 0.103 176.325 176.094 0.212 0.000 1.034 57 V CA -1.055 61.333 62.300 0.146 0.000 0.865 57 V CB 1.824 33.690 31.823 0.071 0.000 0.995 57 V HN 0.953 nan 8.190 nan 0.000 0.424 58 K N 3.779 124.290 120.400 0.184 0.000 2.312 58 K HA 0.386 4.705 4.320 -0.002 0.000 0.287 58 K C 0.427 176.973 176.600 -0.090 0.000 1.062 58 K CA -0.283 56.001 56.287 -0.005 0.000 0.934 58 K CB 0.968 33.477 32.500 0.015 0.000 1.027 58 K HN 0.621 nan 8.250 nan 0.000 0.478 59 L N 3.228 124.351 121.223 -0.167 0.000 2.127 59 L HA -0.091 4.248 4.340 -0.002 0.000 0.203 59 L C 1.401 178.194 176.870 -0.127 0.000 1.080 59 L CA 0.506 55.278 54.840 -0.113 0.000 0.768 59 L CB -0.305 41.690 42.059 -0.106 0.000 0.924 59 L HN 0.721 nan 8.230 nan 0.000 0.444 60 N N -0.347 118.239 118.700 -0.190 0.000 2.405 60 N HA 0.146 4.885 4.740 -0.002 0.000 0.269 60 N C 0.381 175.794 175.510 -0.161 0.000 1.249 60 N CA -0.451 52.491 53.050 -0.181 0.000 0.974 60 N CB 1.338 39.692 38.487 -0.221 0.000 1.204 60 N HN 0.018 nan 8.380 nan 0.000 0.565 61 R N -0.466 119.936 120.500 -0.163 0.000 1.806 61 R HA 0.186 4.525 4.340 -0.002 0.000 0.156 61 R C 0.091 176.307 176.300 -0.139 0.000 1.954 61 R CA -0.274 55.747 56.100 -0.133 0.000 1.548 61 R CB -0.384 29.842 30.300 -0.123 0.000 1.149 61 R HN 0.607 nan 8.270 nan 0.000 0.478 62 E N 1.973 122.081 120.200 -0.154 0.000 2.408 62 E HA 0.125 4.473 4.350 -0.002 0.000 0.259 62 E C -2.196 174.306 176.600 -0.165 0.000 1.110 62 E CA -1.470 54.845 56.400 -0.142 0.000 0.929 62 E CB 0.042 29.657 29.700 -0.142 0.000 0.971 62 E HN 0.045 nan 8.360 nan 0.000 0.438 63 P HA 0.023 nan 4.420 nan 0.000 0.270 63 P C -0.276 176.932 177.300 -0.152 0.000 1.227 63 P CA 0.455 63.471 63.100 -0.140 0.000 0.788 63 P CB 0.386 32.026 31.700 -0.101 0.000 0.926 64 I N -2.209 118.266 120.570 -0.157 0.000 3.294 64 I HA 0.542 4.711 4.170 -0.002 0.000 0.311 64 I C 0.716 176.772 176.117 -0.101 0.000 1.111 64 I CA -0.797 60.421 61.300 -0.136 0.000 0.976 64 I CB 2.148 40.050 38.000 -0.164 0.000 1.260 64 I HN 0.084 nan 8.210 nan 0.000 0.474 65 N N 0.362 119.027 118.700 -0.059 0.000 2.428 65 N HA 0.143 4.882 4.740 -0.002 0.000 0.181 65 N C 0.174 175.645 175.510 -0.066 0.000 1.028 65 N CA 0.972 54.005 53.050 -0.028 0.000 0.877 65 N CB 0.494 39.006 38.487 0.042 0.000 1.064 65 N HN 0.942 nan 8.380 nan 0.000 0.434 66 S N -1.611 114.037 115.700 -0.087 0.000 2.714 66 S HA 0.518 4.987 4.470 -0.002 0.000 0.280 66 S C -1.154 173.401 174.600 -0.076 0.000 1.200 66 S CA -0.393 57.759 58.200 -0.081 0.000 0.900 66 S CB 0.674 63.861 63.200 -0.022 0.000 1.235 66 S HN 0.353 nan 8.310 nan 0.000 0.512 67 V N -0.888 118.996 119.914 -0.050 0.000 3.001 67 V HA 0.776 4.894 4.120 -0.002 0.000 0.314 67 V C -0.656 175.434 176.094 -0.006 0.000 1.099 67 V CA -1.223 61.055 62.300 -0.037 0.000 0.989 67 V CB 1.085 32.882 31.823 -0.043 0.000 1.040 67 V HN 0.986 nan 8.190 nan 0.000 0.434 68 L N 1.287 122.510 121.223 -0.001 0.000 2.421 68 L HA 0.502 4.841 4.340 -0.002 0.000 0.263 68 L C -0.177 176.719 176.870 0.043 0.000 1.122 68 L CA -0.623 54.236 54.840 0.032 0.000 0.804 68 L CB 0.516 42.592 42.059 0.027 0.000 1.150 68 L HN 0.639 nan 8.230 nan 0.000 0.457 69 D N 2.487 122.932 120.400 0.075 0.000 2.348 69 D HA 0.207 4.846 4.640 -0.002 0.000 0.253 69 D C -2.248 174.097 176.300 0.076 0.000 1.161 69 D CA -0.900 53.152 54.000 0.086 0.000 0.876 69 D CB 0.805 41.689 40.800 0.140 0.000 1.160 69 D HN 0.245 nan 8.370 nan 0.000 0.459 70 P HA 0.202 nan 4.420 nan 0.000 0.284 70 P C -0.430 176.973 177.300 0.171 0.000 1.258 70 P CA -0.398 62.743 63.100 0.067 0.000 0.824 70 P CB 1.131 32.850 31.700 0.032 0.000 1.038 71 H N 0.334 119.463 119.070 0.099 0.000 2.707 71 H HA 0.088 4.642 4.556 -0.002 0.000 0.359 71 H C 0.090 175.521 175.328 0.171 0.000 1.113 71 H CA -0.394 55.752 56.048 0.163 0.000 1.422 71 H CB 0.192 30.047 29.762 0.156 0.000 1.443 71 H HN 0.363 nan 8.280 nan 0.000 0.591 72 Y N 0.820 121.229 120.300 0.181 0.000 2.944 72 Y HA -0.129 4.420 4.550 -0.002 0.000 0.340 72 Y C 1.589 177.563 175.900 0.123 0.000 1.275 72 Y CA 1.704 59.881 58.100 0.128 0.000 1.590 72 Y CB -0.091 38.423 38.460 0.091 0.000 1.218 72 Y HN 1.030 nan 8.280 nan 0.000 0.576 73 G N 0.947 109.862 108.800 0.191 0.000 2.217 73 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.246 73 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.246 73 G C 0.056 175.025 174.900 0.115 0.000 0.990 73 G CA -0.181 45.014 45.100 0.158 0.000 0.627 73 G HN 1.091 nan 8.290 nan 0.000 0.522 74 V N -0.500 119.482 119.914 0.114 0.000 3.061 74 V HA 0.536 4.655 4.120 -0.002 0.000 0.306 74 V C 1.455 177.584 176.094 0.059 0.000 1.118 74 V CA 0.912 63.262 62.300 0.084 0.000 1.231 74 V CB 1.280 33.146 31.823 0.072 0.000 0.956 74 V HN 1.280 nan 8.190 nan 0.000 0.499 75 G N 4.029 112.859 108.800 0.049 0.000 3.609 75 G HA2 0.457 4.416 3.960 -0.002 0.000 0.280 75 G HA3 0.457 4.416 3.960 -0.002 0.000 0.280 75 G C 0.382 175.299 174.900 0.028 0.000 1.155 75 G CA -0.118 45.005 45.100 0.039 0.000 0.876 75 G HN 1.123 nan 8.290 nan 0.000 0.535 76 R N -2.130 118.385 120.500 0.025 0.000 2.752 76 R HA 0.738 5.077 4.340 -0.002 0.000 0.271 76 R C -2.279 174.028 176.300 0.011 0.000 1.026 76 R CA -0.697 55.413 56.100 0.017 0.000 0.901 76 R CB 1.460 31.771 30.300 0.018 0.000 1.243 76 R HN -0.113 nan 8.270 nan 0.000 0.463 77 V N 1.901 121.817 119.914 0.005 0.000 2.760 77 V HA 0.451 4.570 4.120 -0.002 0.000 0.309 77 V C -0.749 175.344 176.094 -0.002 0.000 1.077 77 V CA -0.966 61.332 62.300 -0.004 0.000 0.910 77 V CB 2.212 34.025 31.823 -0.017 0.000 1.008 77 V HN 0.576 nan 8.190 nan 0.000 0.424 78 I N 5.391 125.957 120.570 -0.006 0.000 2.330 78 I HA 0.402 4.571 4.170 -0.002 0.000 0.286 78 I C -0.067 176.045 176.117 -0.008 0.000 1.025 78 I CA -0.267 61.028 61.300 -0.008 0.000 1.197 78 I CB 0.996 38.976 38.000 -0.033 0.000 1.358 78 I HN 0.386 nan 8.210 nan 0.000 0.467 79 L N 6.289 127.528 121.223 0.028 0.000 2.371 79 L HA 0.476 4.815 4.340 -0.002 0.000 0.272 79 L C -0.019 176.888 176.870 0.062 0.000 1.124 79 L CA -0.689 54.163 54.840 0.020 0.000 0.816 79 L CB 1.255 43.321 42.059 0.011 0.000 1.129 79 L HN 0.221 nan 8.230 nan 0.000 0.448 80 V N 3.378 123.294 119.914 0.003 0.000 2.417 80 V HA 0.555 4.674 4.120 -0.002 0.000 0.291 80 V C -0.139 175.975 176.094 0.033 0.000 1.024 80 V CA -0.636 61.663 62.300 -0.001 0.000 0.861 80 V CB 1.633 33.375 31.823 -0.135 0.000 0.985 80 V HN 0.728 nan 8.190 nan 0.000 0.436 81 R N 2.337 122.930 120.500 0.155 0.000 2.621 81 R HA 0.320 4.659 4.340 -0.002 0.000 0.284 81 R C -1.030 175.425 176.300 0.258 0.000 0.998 81 R CA -0.738 55.449 56.100 0.145 0.000 0.895 81 R CB 1.719 32.033 30.300 0.023 0.000 1.195 81 R HN 0.757 nan 8.270 nan 0.000 0.450 82 D N 3.548 124.081 120.400 0.222 0.000 2.520 82 D HA -0.053 4.586 4.640 -0.002 0.000 0.243 82 D C 1.453 177.791 176.300 0.064 0.000 1.160 82 D CA 0.452 54.511 54.000 0.098 0.000 0.877 82 D CB 1.385 42.210 40.800 0.042 0.000 1.150 82 D HN 0.449 nan 8.370 nan 0.000 0.494 83 V N 1.107 121.047 119.914 0.044 0.000 2.788 83 V HA -0.047 4.072 4.120 -0.002 0.000 0.251 83 V C 0.935 177.041 176.094 0.021 0.000 1.068 83 V CA 0.756 63.091 62.300 0.058 0.000 1.090 83 V CB -0.064 31.790 31.823 0.052 0.000 0.710 83 V HN 0.382 nan 8.190 nan 0.000 0.467 84 S N 0.075 115.771 115.700 -0.007 0.000 2.748 84 S HA 0.683 5.152 4.470 -0.002 0.000 0.299 84 S C 0.592 175.183 174.600 -0.014 0.000 1.119 84 S CA -0.056 58.137 58.200 -0.012 0.000 0.997 84 S CB 1.023 64.210 63.200 -0.022 0.000 1.223 84 S HN 0.702 nan 8.310 nan 0.000 0.541 85 K N 0.024 120.416 120.400 -0.014 0.000 3.000 85 K HA 0.500 4.819 4.320 -0.002 0.000 0.265 85 K C 1.069 177.661 176.600 -0.013 0.000 1.260 85 K CA 0.009 56.288 56.287 -0.012 0.000 1.209 85 K CB -1.574 30.920 32.500 -0.010 0.000 1.484 85 K HN 1.898 nan 8.250 nan 0.000 0.283 86 G N -0.789 108.002 108.800 -0.015 0.000 2.176 86 G HA2 0.068 4.027 3.960 -0.002 0.000 0.252 86 G HA3 0.068 4.027 3.960 -0.002 0.000 0.252 86 G C 0.545 175.428 174.900 -0.029 0.000 1.024 86 G CA 0.549 45.641 45.100 -0.014 0.000 0.755 86 G HN 1.692 nan 8.290 nan 0.000 0.507 87 A N -0.683 122.109 122.820 -0.046 0.000 2.366 87 A HA 0.695 5.014 4.320 -0.002 0.000 0.250 87 A C 1.077 178.592 177.584 -0.115 0.000 1.099 87 A CA 1.306 53.306 52.037 -0.061 0.000 0.794 87 A CB 0.256 19.221 19.000 -0.058 0.000 1.056 87 A HN 1.814 nan 8.150 nan 0.000 0.499 88 E N 0.370 120.499 120.200 -0.117 0.000 2.354 88 E HA 0.370 4.719 4.350 -0.002 0.000 0.260 88 E C -0.251 176.119 176.600 -0.382 0.000 1.405 88 E CA -0.397 55.878 56.400 -0.208 0.000 1.728 88 E CB -0.228 29.449 29.700 -0.038 0.000 1.471 88 E HN 0.455 nan 8.360 nan 0.000 0.441 89 Q N 0.472 120.030 119.800 -0.404 0.000 2.394 89 Q HA 0.411 4.750 4.340 -0.002 0.000 0.259 89 Q C -1.358 174.468 176.000 -0.289 0.000 1.021 89 Q CA -0.541 55.099 55.803 -0.273 0.000 0.805 89 Q CB 0.708 29.377 28.738 -0.115 0.000 1.226 89 Q HN 0.748 nan 8.270 nan 0.000 0.476 90 H N -0.061 119.026 119.070 0.029 0.000 2.529 90 H HA 0.864 5.418 4.556 -0.002 0.000 0.348 90 H C -0.655 174.669 175.328 -0.006 0.000 1.152 90 H CA -0.901 55.163 56.048 0.027 0.000 1.202 90 H CB 1.840 31.616 29.762 0.023 0.000 1.562 90 H HN 0.647 nan 8.280 nan 0.000 0.515 91 A N 2.667 125.581 122.820 0.157 0.000 2.354 91 A HA 0.656 4.975 4.320 -0.002 0.000 0.321 91 A C -1.000 176.555 177.584 -0.048 0.000 1.125 91 A CA -0.774 51.247 52.037 -0.026 0.000 0.799 91 A CB 0.953 19.896 19.000 -0.095 0.000 1.293 91 A HN 0.598 nan 8.150 nan 0.000 0.452 92 L N 0.467 121.518 121.223 -0.288 0.000 2.325 92 L HA 0.643 4.982 4.340 -0.002 0.000 0.278 92 L C -1.390 175.218 176.870 -0.438 0.000 1.023 92 L CA -0.259 54.441 54.840 -0.234 0.000 0.811 92 L CB 1.391 43.265 42.059 -0.308 0.000 1.249 92 L HN 0.660 nan 8.230 nan 0.000 0.431 93 F N 1.358 121.254 119.950 -0.089 0.000 2.547 93 F HA 0.399 4.925 4.527 -0.002 0.000 0.316 93 F C 0.018 175.780 175.800 -0.063 0.000 1.121 93 F CA -0.748 57.212 58.000 -0.067 0.000 0.911 93 F CB 2.046 41.010 39.000 -0.061 0.000 1.179 93 F HN 0.303 nan 8.300 nan 0.000 0.443 94 K N 2.805 123.262 120.400 0.096 0.000 2.172 94 K HA 0.759 5.078 4.320 -0.002 0.000 0.276 94 K C -1.646 174.991 176.600 0.061 0.000 1.013 94 K CA -0.413 55.904 56.287 0.049 0.000 0.913 94 K CB 1.340 33.848 32.500 0.013 0.000 1.055 94 K HN 0.527 nan 8.250 nan 0.000 0.461 95 V N 4.556 124.489 119.914 0.032 0.000 2.443 95 V HA 0.124 4.243 4.120 -0.002 0.000 0.293 95 V C -0.421 175.679 176.094 0.011 0.000 1.021 95 V CA -1.179 61.130 62.300 0.016 0.000 0.848 95 V CB 1.281 33.101 31.823 -0.005 0.000 0.998 95 V HN 0.873 nan 8.190 nan 0.000 0.424 96 N N 3.162 121.869 118.700 0.012 0.000 2.483 96 N HA 0.001 4.740 4.740 -0.002 0.000 0.264 96 N C 1.479 176.995 175.510 0.010 0.000 1.197 96 N CA 0.854 53.912 53.050 0.013 0.000 0.927 96 N CB 1.824 40.319 38.487 0.014 0.000 1.065 96 N HN 0.833 nan 8.380 nan 0.000 0.461 97 T N 0.098 114.660 114.554 0.013 0.000 2.915 97 T HA -0.075 4.274 4.350 -0.002 0.000 0.269 97 T C 1.615 176.324 174.700 0.014 0.000 1.071 97 T CA 1.205 63.313 62.100 0.013 0.000 1.132 97 T CB -0.274 68.606 68.868 0.019 0.000 0.878 97 T HN 0.367 nan 8.240 nan 0.000 0.479 98 S N 1.437 117.146 115.700 0.016 0.000 2.474 98 S HA 0.101 4.570 4.470 -0.002 0.000 0.235 98 S C 0.989 175.596 174.600 0.011 0.000 0.997 98 S CA 0.383 58.593 58.200 0.015 0.000 0.949 98 S CB -0.135 63.075 63.200 0.016 0.000 0.766 98 S HN 0.572 nan 8.310 nan 0.000 0.517 99 R N 1.249 121.754 120.500 0.009 0.000 2.629 99 R HA 0.266 4.605 4.340 -0.002 0.000 0.277 99 R C -3.201 173.100 176.300 0.001 0.000 1.637 99 R CA -1.557 54.546 56.100 0.006 0.000 1.663 99 R CB 0.840 31.144 30.300 0.007 0.000 1.228 99 R HN 0.142 nan 8.270 nan 0.000 0.632 100 P HA 0.036 nan 4.420 nan 0.000 0.269 100 P C 0.965 178.254 177.300 -0.017 0.000 1.209 100 P CA 0.794 63.887 63.100 -0.011 0.000 0.776 100 P CB 0.832 32.529 31.700 -0.005 0.000 0.876 101 G N 0.921 109.701 108.800 -0.033 0.000 2.195 101 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.246 101 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.246 101 G C -0.150 174.732 174.900 -0.031 0.000 0.984 101 G CA -0.276 44.801 45.100 -0.039 0.000 0.633 101 G HN 0.593 nan 8.290 nan 0.000 0.525 102 E N 1.359 121.550 120.200 -0.016 0.000 2.109 102 E HA 0.420 4.769 4.350 -0.002 0.000 0.278 102 E C -0.369 176.237 176.600 0.011 0.000 0.954 102 E CA -0.358 56.040 56.400 -0.003 0.000 0.779 102 E CB 1.019 30.722 29.700 0.004 0.000 1.093 102 E HN 0.550 nan 8.360 nan 0.000 0.401 103 E N 2.700 122.915 120.200 0.024 0.000 2.191 103 E HA 0.184 4.533 4.350 -0.002 0.000 0.278 103 E C -0.577 176.095 176.600 0.121 0.000 0.972 103 E CA -0.546 55.904 56.400 0.083 0.000 0.804 103 E CB 2.020 31.758 29.700 0.063 0.000 1.110 103 E HN 0.349 nan 8.360 nan 0.000 0.394 104 Q N 3.209 123.088 119.800 0.132 0.000 2.325 104 Q HA 0.266 4.605 4.340 -0.002 0.000 0.270 104 Q C -0.964 175.064 176.000 0.047 0.000 1.020 104 Q CA -0.834 55.019 55.803 0.082 0.000 0.785 104 Q CB 1.587 30.343 28.738 0.030 0.000 1.259 104 Q HN 0.413 nan 8.270 nan 0.000 0.452 105 R N 4.286 124.761 120.500 -0.041 0.000 2.389 105 R HA 0.215 4.554 4.340 -0.002 0.000 0.295 105 R C -0.573 175.556 176.300 -0.286 0.000 1.075 105 R CA -0.192 55.678 56.100 -0.385 0.000 1.005 105 R CB 0.432 30.486 30.300 -0.411 0.000 0.987 105 R HN 0.683 nan 8.270 nan 0.000 0.452 106 L N 5.846 126.863 121.223 -0.344 0.000 2.415 106 L HA 0.046 4.385 4.340 -0.002 0.000 0.269 106 L C 1.009 177.759 176.870 -0.200 0.000 1.244 106 L CA 0.023 54.733 54.840 -0.216 0.000 1.113 106 L CB 0.407 42.346 42.059 -0.200 0.000 1.352 106 L HN 0.741 nan 8.230 nan 0.000 0.433 107 E N 1.820 121.932 120.200 -0.147 0.000 2.338 107 E HA -0.147 4.202 4.350 -0.002 0.000 0.197 107 E C 1.946 178.499 176.600 -0.078 0.000 1.007 107 E CA 0.909 57.240 56.400 -0.114 0.000 0.849 107 E CB 0.334 29.987 29.700 -0.079 0.000 0.774 107 E HN 0.768 nan 8.360 nan 0.000 0.506 108 A N 1.019 123.803 122.820 -0.060 0.000 2.121 108 A HA -0.021 4.298 4.320 -0.002 0.000 0.218 108 A C 1.335 178.901 177.584 -0.030 0.000 1.154 108 A CA 0.392 52.411 52.037 -0.029 0.000 0.679 108 A CB 0.204 19.202 19.000 -0.005 0.000 0.795 108 A HN 0.012 nan 8.150 nan 0.000 0.458 109 V N 1.677 121.556 119.914 -0.059 0.000 2.333 109 V HA 0.149 4.268 4.120 -0.002 0.000 0.274 109 V C 0.399 176.441 176.094 -0.086 0.000 1.028 109 V CA -0.844 61.416 62.300 -0.067 0.000 0.851 109 V CB 0.966 32.731 31.823 -0.097 0.000 1.000 109 V HN 0.542 nan 8.190 nan 0.000 0.456 110 K N 7.115 127.473 120.400 -0.069 0.000 2.485 110 K HA 0.137 4.456 4.320 -0.002 0.000 0.277 110 K C -2.368 174.201 176.600 -0.051 0.000 0.990 110 K CA -0.942 55.313 56.287 -0.054 0.000 0.994 110 K CB 0.518 32.995 32.500 -0.037 0.000 0.906 110 K HN 0.341 nan 8.250 nan 0.000 0.488 111 P HA -0.021 nan 4.420 nan 0.000 0.265 111 P C -0.845 176.455 177.300 -0.000 0.000 1.193 111 P CA 0.426 63.514 63.100 -0.019 0.000 0.765 111 P CB 0.477 32.167 31.700 -0.017 0.000 0.823 112 M N -0.229 119.388 119.600 0.029 0.000 2.949 112 M HA 0.456 4.935 4.480 -0.002 0.000 0.270 112 M C -0.963 175.418 176.300 0.136 0.000 1.221 112 M CA -1.207 54.133 55.300 0.066 0.000 0.818 112 M CB 2.101 34.746 32.600 0.075 0.000 1.635 112 M HN -0.095 nan 8.290 nan 0.000 0.492 113 R N 1.666 122.273 120.500 0.178 0.000 2.242 113 R HA 0.444 4.783 4.340 -0.002 0.000 0.334 113 R C -1.168 175.357 176.300 0.374 0.000 1.071 113 R CA -0.401 55.878 56.100 0.298 0.000 0.922 113 R CB 0.374 30.813 30.300 0.233 0.000 1.023 113 R HN 0.630 nan 8.270 nan 0.000 0.458 114 I N 7.436 128.286 120.570 0.468 0.000 2.337 114 I HA -0.011 4.158 4.170 -0.002 0.000 0.291 114 I C 1.103 177.329 176.117 0.181 0.000 1.046 114 I CA 0.079 61.507 61.300 0.214 0.000 1.324 114 I CB 1.361 39.349 38.000 -0.019 0.000 1.409 114 I HN 0.811 nan 8.210 nan 0.000 0.494 115 L N 5.042 126.412 121.223 0.246 0.000 2.375 115 L HA 0.055 4.394 4.340 -0.002 0.000 0.215 115 L C 0.594 177.662 176.870 0.330 0.000 1.108 115 L CA 0.410 55.411 54.840 0.269 0.000 0.830 115 L CB -0.052 42.099 42.059 0.153 0.000 0.959 115 L HN 0.825 nan 8.230 nan 0.000 0.457 116 S N -1.831 114.040 115.700 0.285 0.000 2.683 116 S HA 0.647 5.116 4.470 -0.002 0.000 0.278 116 S C -0.759 174.013 174.600 0.286 0.000 1.059 116 S CA -0.308 58.075 58.200 0.306 0.000 0.847 116 S CB 1.060 64.503 63.200 0.404 0.000 1.078 116 S HN 0.123 nan 8.310 nan 0.000 0.456 117 G N -0.209 108.734 108.800 0.238 0.000 2.576 117 G HA2 0.659 4.618 3.960 -0.002 0.000 0.290 117 G HA3 0.659 4.618 3.960 -0.002 0.000 0.290 117 G C -1.994 173.012 174.900 0.176 0.000 1.442 117 G CA -0.313 44.932 45.100 0.243 0.000 0.792 117 G HN 1.491 nan 8.290 nan 0.000 0.491 118 V N 0.422 120.430 119.914 0.157 0.000 2.888 118 V HA 0.603 4.722 4.120 -0.002 0.000 0.309 118 V C -1.587 174.525 176.094 0.032 0.000 1.114 118 V CA -0.673 61.680 62.300 0.087 0.000 0.940 118 V CB 2.229 34.101 31.823 0.082 0.000 1.021 118 V HN 0.897 nan 8.190 nan 0.000 0.426 119 D N 1.867 122.247 120.400 -0.033 0.000 2.425 119 D HA 0.370 5.009 4.640 -0.002 0.000 0.240 119 D C 0.992 177.188 176.300 -0.173 0.000 1.080 119 D CA 0.127 54.097 54.000 -0.050 0.000 0.836 119 D CB 2.230 43.026 40.800 -0.007 0.000 1.125 119 D HN 0.652 nan 8.370 nan 0.000 0.525 120 T N 0.721 115.157 114.554 -0.196 0.000 3.088 120 T HA 0.308 4.657 4.350 -0.002 0.000 0.259 120 T C 1.510 176.192 174.700 -0.029 0.000 1.122 120 T CA 0.667 62.608 62.100 -0.266 0.000 1.095 120 T CB 0.098 68.895 68.868 -0.117 0.000 0.930 120 T HN 0.710 nan 8.240 nan 0.000 0.508 121 G N 0.997 109.794 108.800 -0.004 0.000 2.308 121 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.221 121 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.221 121 G C 0.816 175.735 174.900 0.033 0.000 1.032 121 G CA 0.358 45.479 45.100 0.035 0.000 0.623 121 G HN 0.529 nan 8.290 nan 0.000 0.506 122 E N 0.030 120.248 120.200 0.031 0.000 2.306 122 E HA 0.593 4.942 4.350 -0.002 0.000 0.201 122 E C 1.133 177.752 176.600 0.033 0.000 0.874 122 E CA 0.579 56.999 56.400 0.033 0.000 0.972 122 E CB 0.700 30.423 29.700 0.039 0.000 0.957 122 E HN 0.739 nan 8.360 nan 0.000 0.492 123 A N 0.949 123.787 122.820 0.030 0.000 2.340 123 A HA 0.592 4.911 4.320 -0.002 0.000 0.331 123 A C -0.797 176.818 177.584 0.052 0.000 1.140 123 A CA -0.493 51.571 52.037 0.046 0.000 0.801 123 A CB 1.492 20.520 19.000 0.047 0.000 1.234 123 A HN 0.013 nan 8.150 nan 0.000 0.469 124 V N 2.539 122.513 119.914 0.100 0.000 2.357 124 V HA 0.418 4.537 4.120 -0.002 0.000 0.284 124 V C -0.555 175.701 176.094 0.270 0.000 1.018 124 V CA -0.301 62.089 62.300 0.149 0.000 0.841 124 V CB 1.329 33.235 31.823 0.138 0.000 0.991 124 V HN 0.637 nan 8.190 nan 0.000 0.437 125 V N 7.210 127.270 119.914 0.243 0.000 2.448 125 V HA 0.688 4.807 4.120 -0.002 0.000 0.295 125 V C -0.496 175.807 176.094 0.348 0.000 1.025 125 V CA -0.525 61.914 62.300 0.231 0.000 0.859 125 V CB 1.281 33.178 31.823 0.124 0.000 0.988 125 V HN 0.800 nan 8.190 nan 0.000 0.431 126 F N 1.579 121.621 119.950 0.153 0.000 2.686 126 F HA 0.875 5.401 4.527 -0.002 0.000 0.311 126 F C -0.214 175.720 175.800 0.225 0.000 1.128 126 F CA -0.822 57.281 58.000 0.171 0.000 0.946 126 F CB 1.755 40.837 39.000 0.137 0.000 1.336 126 F HN 0.445 nan 8.300 nan 0.000 0.457 127 T N -0.911 113.855 114.554 0.353 0.000 2.925 127 T HA 0.926 5.275 4.350 -0.002 0.000 0.285 127 T C -0.326 174.610 174.700 0.392 0.000 1.021 127 T CA -0.373 61.872 62.100 0.241 0.000 1.042 127 T CB 1.496 70.429 68.868 0.109 0.000 1.037 127 T HN 1.498 nan 8.240 nan 0.000 0.481 128 G N -0.572 108.447 108.800 0.365 0.000 2.677 128 G HA2 0.693 4.652 3.960 -0.002 0.000 0.291 128 G HA3 0.693 4.652 3.960 -0.002 0.000 0.291 128 G C -1.702 173.360 174.900 0.270 0.000 1.435 128 G CA -0.648 44.668 45.100 0.360 0.000 0.826 128 G HN 1.091 nan 8.290 nan 0.000 0.491 129 A N 0.504 123.468 122.820 0.240 0.000 2.310 129 A HA 0.825 5.143 4.320 -0.002 0.000 0.304 129 A C 0.455 178.127 177.584 0.148 0.000 1.231 129 A CA 0.201 52.344 52.037 0.177 0.000 0.799 129 A CB 0.762 19.929 19.000 0.278 0.000 1.162 129 A HN 1.618 nan 8.150 nan 0.000 0.486 130 T N -0.867 113.751 114.554 0.106 0.000 2.888 130 T HA 0.648 4.996 4.350 -0.002 0.000 0.283 130 T C 1.517 176.251 174.700 0.056 0.000 1.013 130 T CA 0.593 62.741 62.100 0.081 0.000 0.938 130 T CB 0.283 69.198 68.868 0.079 0.000 1.298 130 T HN 1.003 nan 8.240 nan 0.000 0.580 131 E N 1.032 121.257 120.200 0.041 0.000 2.086 131 E HA -0.293 4.056 4.350 -0.002 0.000 0.205 131 E C 1.623 178.234 176.600 0.019 0.000 1.027 131 E CA 2.418 58.836 56.400 0.029 0.000 0.830 131 E CB -1.521 28.191 29.700 0.020 0.000 0.751 131 E HN 0.944 nan 8.360 nan 0.000 0.456 132 D N -0.855 119.551 120.400 0.009 0.000 2.380 132 D HA 0.079 4.718 4.640 -0.002 0.000 0.212 132 D C 1.189 177.465 176.300 -0.039 0.000 1.021 132 D CA 0.822 54.815 54.000 -0.011 0.000 0.884 132 D CB 0.003 40.795 40.800 -0.013 0.000 1.001 132 D HN 0.656 nan 8.370 nan 0.000 0.506 133 R N -0.902 119.576 120.500 -0.038 0.000 2.795 133 R HA 0.653 4.992 4.340 -0.002 0.000 0.268 133 R C -1.768 174.480 176.300 -0.087 0.000 1.041 133 R CA -0.997 55.052 56.100 -0.085 0.000 0.927 133 R CB 1.274 31.524 30.300 -0.083 0.000 1.235 133 R HN -0.162 nan 8.270 nan 0.000 0.463 134 V N 0.306 120.128 119.914 -0.154 0.000 2.513 134 V HA 0.850 4.969 4.120 -0.002 0.000 0.299 134 V C -0.273 175.714 176.094 -0.177 0.000 1.035 134 V CA -0.349 61.866 62.300 -0.141 0.000 0.889 134 V CB 1.127 32.808 31.823 -0.236 0.000 0.988 134 V HN 1.002 nan 8.190 nan 0.000 0.440 135 A N 3.798 126.515 122.820 -0.171 0.000 2.530 135 A HA 0.953 5.272 4.320 -0.002 0.000 0.288 135 A C -1.668 175.633 177.584 -0.471 0.000 1.172 135 A CA -0.685 51.099 52.037 -0.423 0.000 0.733 135 A CB 1.796 20.380 19.000 -0.694 0.000 1.320 135 A HN 0.821 nan 8.150 nan 0.000 0.419 136 L N 0.787 121.659 121.223 -0.584 0.000 2.298 136 L HA 0.705 5.044 4.340 -0.002 0.000 0.284 136 L C -1.703 174.792 176.870 -0.625 0.000 1.013 136 L CA -0.318 54.270 54.840 -0.421 0.000 0.824 136 L CB 0.417 42.342 42.059 -0.223 0.000 1.221 136 L HN 0.592 nan 8.230 nan 0.000 0.418 137 Y N 3.393 123.391 120.300 -0.504 0.000 2.457 137 Y HA 0.828 5.377 4.550 -0.002 0.000 0.333 137 Y C 0.335 175.957 175.900 -0.464 0.000 1.119 137 Y CA -0.541 57.191 58.100 -0.614 0.000 1.143 137 Y CB 1.953 39.726 38.460 -1.145 0.000 1.230 137 Y HN 0.720 nan 8.280 nan 0.000 0.469 138 A N 2.273 125.047 122.820 -0.076 0.000 2.386 138 A HA 0.793 5.112 4.320 -0.002 0.000 0.311 138 A C -2.086 175.554 177.584 0.093 0.000 1.068 138 A CA -0.658 51.391 52.037 0.021 0.000 0.743 138 A CB 1.398 20.410 19.000 0.019 0.000 1.258 138 A HN 0.669 nan 8.150 nan 0.000 0.429 139 L N 2.500 123.812 121.223 0.149 0.000 2.441 139 L HA 0.704 5.043 4.340 -0.002 0.000 0.270 139 L C -1.320 175.607 176.870 0.095 0.000 0.973 139 L CA -0.213 54.714 54.840 0.144 0.000 0.842 139 L CB 1.622 43.813 42.059 0.221 0.000 1.239 139 L HN 0.861 nan 8.230 nan 0.000 0.406 140 D N 2.381 122.820 120.400 0.065 0.000 2.758 140 D HA 0.493 5.132 4.640 -0.002 0.000 0.262 140 D C 1.049 177.371 176.300 0.036 0.000 1.113 140 D CA -0.122 53.906 54.000 0.047 0.000 1.114 140 D CB 0.238 41.062 40.800 0.040 0.000 1.363 140 D HN 0.394 nan 8.370 nan 0.000 0.617 141 G N -1.046 107.771 108.800 0.029 0.000 2.479 141 G HA2 -0.025 3.933 3.960 -0.002 0.000 0.220 141 G HA3 -0.025 3.933 3.960 -0.002 0.000 0.220 141 G C 1.181 176.093 174.900 0.021 0.000 1.115 141 G CA 0.629 45.742 45.100 0.022 0.000 0.757 141 G HN 0.553 nan 8.290 nan 0.000 0.560 142 G N -0.529 108.285 108.800 0.023 0.000 3.088 142 G HA2 0.473 4.432 3.960 -0.002 0.000 0.212 142 G HA3 0.473 4.432 3.960 -0.002 0.000 0.212 142 G C 0.865 175.779 174.900 0.022 0.000 1.173 142 G CA 0.507 45.619 45.100 0.020 0.000 0.779 142 G HN 1.225 nan 8.290 nan 0.000 0.540 143 G N -0.847 107.969 108.800 0.027 0.000 2.500 143 G HA2 0.085 4.044 3.960 -0.002 0.000 0.209 143 G HA3 0.085 4.044 3.960 -0.002 0.000 0.209 143 G C -0.968 173.960 174.900 0.047 0.000 1.283 143 G CA -0.300 44.818 45.100 0.030 0.000 0.960 143 G HN 0.831 nan 8.290 nan 0.000 0.528 144 L N 0.428 121.683 121.223 0.052 0.000 2.334 144 L HA 0.957 5.296 4.340 -0.002 0.000 0.275 144 L C 0.386 177.299 176.870 0.073 0.000 1.036 144 L CA -0.620 54.267 54.840 0.079 0.000 0.807 144 L CB 1.486 43.593 42.059 0.079 0.000 1.231 144 L HN 0.778 nan 8.230 nan 0.000 0.438 145 R N 2.858 123.408 120.500 0.083 0.000 2.584 145 R HA 0.304 4.643 4.340 -0.002 0.000 0.276 145 R C -1.365 174.957 176.300 0.037 0.000 1.046 145 R CA -0.760 55.371 56.100 0.051 0.000 0.906 145 R CB 1.891 32.202 30.300 0.017 0.000 1.215 145 R HN 0.628 nan 8.270 nan 0.000 0.449 146 E N 3.576 123.771 120.200 -0.009 0.000 2.180 146 E HA 0.068 4.417 4.350 -0.002 0.000 0.283 146 E C 0.362 176.853 176.600 -0.182 0.000 1.061 146 E CA -0.079 56.203 56.400 -0.196 0.000 0.861 146 E CB 0.708 30.287 29.700 -0.203 0.000 1.056 146 E HN 0.529 nan 8.360 nan 0.000 0.407 147 L N 3.398 124.489 121.223 -0.220 0.000 2.209 147 L HA 0.249 4.588 4.340 -0.002 0.000 0.207 147 L C 0.630 177.404 176.870 -0.160 0.000 1.094 147 L CA 0.413 55.168 54.840 -0.142 0.000 0.790 147 L CB 0.101 42.100 42.059 -0.101 0.000 0.932 147 L HN 0.525 nan 8.230 nan 0.000 0.447 148 A N 0.083 122.758 122.820 -0.241 0.000 2.573 148 A HA 0.473 4.792 4.320 -0.002 0.000 0.299 148 A C -1.028 176.359 177.584 -0.329 0.000 1.060 148 A CA -0.630 51.260 52.037 -0.245 0.000 0.736 148 A CB 0.982 19.856 19.000 -0.210 0.000 1.280 148 A HN 0.111 nan 8.150 nan 0.000 0.401 149 R N 2.878 123.199 120.500 -0.299 0.000 2.265 149 R HA 0.712 5.051 4.340 -0.002 0.000 0.319 149 R C -1.293 174.795 176.300 -0.353 0.000 1.006 149 R CA -0.495 55.420 56.100 -0.309 0.000 0.880 149 R CB 0.500 30.656 30.300 -0.239 0.000 1.077 149 R HN 0.671 nan 8.270 nan 0.000 0.454 150 L N 5.769 126.755 121.223 -0.396 0.000 2.334 150 L HA 0.466 4.805 4.340 -0.002 0.000 0.275 150 L C -1.499 175.041 176.870 -0.549 0.000 1.036 150 L CA -2.340 52.163 54.840 -0.561 0.000 0.807 150 L CB 1.844 43.612 42.059 -0.486 0.000 1.231 150 L HN 0.612 nan 8.230 nan 0.000 0.438 151 P HA 0.164 nan 4.420 nan 0.000 0.258 151 P C 0.178 177.332 177.300 -0.244 0.000 1.559 151 P CA 0.250 63.040 63.100 -0.517 0.000 0.855 151 P CB 0.254 31.621 31.700 -0.556 0.000 1.594 152 G N -0.508 108.209 108.800 -0.138 0.000 2.359 152 G HA2 0.141 4.100 3.960 -0.002 0.000 0.293 152 G HA3 0.141 4.100 3.960 -0.002 0.000 0.293 152 G C -1.505 173.459 174.900 0.107 0.000 1.300 152 G CA -1.054 44.093 45.100 0.078 0.000 0.888 152 G HN -0.075 nan 8.290 nan 0.000 0.541 153 F N 1.024 121.169 119.950 0.325 0.000 2.578 153 F HA 0.470 4.996 4.527 -0.002 0.000 0.376 153 F C 1.345 177.247 175.800 0.171 0.000 1.085 153 F CA 1.603 59.731 58.000 0.214 0.000 1.260 153 F CB 1.274 40.466 39.000 0.320 0.000 1.095 153 F HN 0.686 nan 8.300 nan 0.000 0.573 154 G N 2.748 111.477 108.800 -0.119 0.000 2.659 154 G HA2 0.712 4.671 3.960 -0.002 0.000 0.296 154 G HA3 0.712 4.671 3.960 -0.002 0.000 0.296 154 G C -2.056 172.503 174.900 -0.569 0.000 1.369 154 G CA -0.682 44.324 45.100 -0.157 0.000 0.937 154 G HN 0.351 nan 8.290 nan 0.000 0.485 155 F N 0.511 120.716 119.950 0.426 0.000 2.562 155 F HA 0.412 4.938 4.527 -0.002 0.000 0.319 155 F C 0.211 176.191 175.800 0.300 0.000 1.154 155 F CA -1.008 57.189 58.000 0.328 0.000 0.931 155 F CB 2.220 41.358 39.000 0.230 0.000 1.198 155 F HN 0.300 nan 8.300 nan 0.000 0.444 156 V N 2.288 122.439 119.914 0.394 0.000 2.572 156 V HA 0.129 4.248 4.120 -0.002 0.000 0.291 156 V C 0.445 176.641 176.094 0.170 0.000 1.039 156 V CA 0.414 62.857 62.300 0.238 0.000 1.055 156 V CB 1.044 33.008 31.823 0.236 0.000 0.969 156 V HN 1.003 nan 8.190 nan 0.000 0.482 157 S N 1.745 117.475 115.700 0.051 0.000 2.545 157 S HA 0.181 4.650 4.470 -0.002 0.000 0.232 157 S C 0.185 174.831 174.600 0.077 0.000 1.070 157 S CA 0.190 58.423 58.200 0.056 0.000 0.923 157 S CB 0.242 63.421 63.200 -0.035 0.000 0.806 157 S HN 0.949 nan 8.310 nan 0.000 0.506 158 D N -0.845 119.589 120.400 0.056 0.000 2.683 158 D HA 0.451 5.090 4.640 -0.002 0.000 0.246 158 D C -1.827 174.540 176.300 0.111 0.000 1.238 158 D CA -0.439 53.627 54.000 0.111 0.000 0.759 158 D CB 1.149 41.992 40.800 0.072 0.000 1.349 158 D HN -0.050 nan 8.370 nan 0.000 0.426 159 I N 1.246 121.940 120.570 0.207 0.000 2.730 159 I HA 0.591 4.760 4.170 -0.002 0.000 0.298 159 I C -0.647 175.614 176.117 0.239 0.000 1.089 159 I CA -0.841 60.570 61.300 0.185 0.000 1.041 159 I CB 2.421 40.512 38.000 0.150 0.000 1.235 159 I HN 0.387 nan 8.210 nan 0.000 0.423 160 R N 2.904 123.486 120.500 0.135 0.000 2.658 160 R HA 0.479 4.818 4.340 -0.002 0.000 0.287 160 R C 0.056 176.388 176.300 0.053 0.000 1.209 160 R CA 0.423 56.574 56.100 0.085 0.000 1.046 160 R CB 1.388 31.685 30.300 -0.006 0.000 1.247 160 R HN 0.989 nan 8.270 nan 0.000 0.405 161 G N 3.460 112.300 108.800 0.067 0.000 2.583 161 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.292 161 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.292 161 G C 0.094 175.027 174.900 0.055 0.000 1.203 161 G CA 0.574 45.703 45.100 0.048 0.000 0.987 161 G HN 0.665 nan 8.290 nan 0.000 0.554 162 D N 0.217 120.639 120.400 0.037 0.000 2.340 162 D HA 0.239 4.878 4.640 -0.002 0.000 0.220 162 D C 0.935 177.258 176.300 0.038 0.000 1.039 162 D CA 0.158 54.180 54.000 0.037 0.000 0.866 162 D CB 0.149 40.965 40.800 0.027 0.000 0.913 162 D HN 0.320 nan 8.370 nan 0.000 0.523 163 L N 1.419 122.662 121.223 0.033 0.000 2.265 163 L HA 0.348 4.687 4.340 -0.002 0.000 0.288 163 L C -0.619 176.272 176.870 0.035 0.000 1.058 163 L CA -0.244 54.613 54.840 0.028 0.000 0.809 163 L CB 0.513 42.575 42.059 0.005 0.000 1.179 163 L HN -0.168 nan 8.230 nan 0.000 0.429 164 I N 5.384 125.979 120.570 0.041 0.000 2.404 164 I HA 0.651 4.820 4.170 -0.002 0.000 0.293 164 I C 0.025 176.120 176.117 -0.036 0.000 0.992 164 I CA -0.579 60.741 61.300 0.034 0.000 1.149 164 I CB 1.641 39.691 38.000 0.084 0.000 1.315 164 I HN 0.782 nan 8.210 nan 0.000 0.446 165 A N 4.349 127.101 122.820 -0.114 0.000 2.356 165 A HA 0.995 5.314 4.320 -0.002 0.000 0.323 165 A C -0.141 177.166 177.584 -0.461 0.000 1.119 165 A CA -0.403 51.475 52.037 -0.264 0.000 0.790 165 A CB 1.711 20.600 19.000 -0.185 0.000 1.273 165 A HN 0.874 nan 8.150 nan 0.000 0.452 166 G N -0.715 107.556 108.800 -0.883 0.000 2.619 166 G HA2 0.588 4.547 3.960 -0.002 0.000 0.305 166 G HA3 0.588 4.547 3.960 -0.002 0.000 0.305 166 G C -1.870 172.650 174.900 -0.633 0.000 1.330 166 G CA -0.605 43.970 45.100 -0.875 0.000 0.789 166 G HN 0.825 nan 8.290 nan 0.000 0.487 167 L N -0.578 120.601 121.223 -0.073 0.000 2.409 167 L HA 0.838 5.177 4.340 -0.002 0.000 0.262 167 L C 0.135 177.096 176.870 0.153 0.000 0.992 167 L CA -0.703 54.168 54.840 0.051 0.000 0.817 167 L CB 2.716 44.776 42.059 0.002 0.000 1.350 167 L HN 1.020 nan 8.230 nan 0.000 0.411 168 G N 0.463 109.076 108.800 -0.312 0.000 2.742 168 G HA2 0.571 4.530 3.960 -0.002 0.000 0.296 168 G HA3 0.571 4.530 3.960 -0.002 0.000 0.296 168 G C -1.534 172.847 174.900 -0.865 0.000 1.436 168 G CA -0.447 44.176 45.100 -0.795 0.000 0.928 168 G HN 0.277 nan 8.290 nan 0.000 0.520 169 F N 2.001 121.889 119.950 -0.104 0.000 2.573 169 F HA 0.330 4.856 4.527 -0.002 0.000 0.349 169 F C 0.674 176.621 175.800 0.245 0.000 1.213 169 F CA -0.502 57.563 58.000 0.109 0.000 1.300 169 F CB 0.016 39.177 39.000 0.269 0.000 1.661 169 F HN 0.388 nan 8.300 nan 0.000 0.616 170 F N 1.100 121.175 119.950 0.208 0.000 2.660 170 F HA 0.388 4.914 4.527 -0.002 0.000 0.297 170 F C 1.361 177.227 175.800 0.109 0.000 1.132 170 F CA -0.247 57.827 58.000 0.123 0.000 1.372 170 F CB -0.208 38.832 39.000 0.066 0.000 1.003 170 F HN 0.520 nan 8.300 nan 0.000 0.524 171 G N -0.094 108.886 108.800 0.300 0.000 2.631 171 G HA2 0.148 4.107 3.960 -0.002 0.000 0.504 171 G HA3 0.148 4.107 3.960 -0.002 0.000 0.504 171 G C 0.469 175.464 174.900 0.158 0.000 1.306 171 G CA -0.484 44.737 45.100 0.202 0.000 0.897 171 G HN 0.862 nan 8.290 nan 0.000 0.520 172 G N -1.315 107.554 108.800 0.115 0.000 2.155 172 G HA2 0.374 4.332 3.960 -0.002 0.000 0.257 172 G HA3 0.374 4.332 3.960 -0.002 0.000 0.257 172 G C 2.121 177.065 174.900 0.074 0.000 0.983 172 G CA 1.036 46.186 45.100 0.083 0.000 0.676 172 G HN 3.079 nan 8.290 nan 0.000 0.528 173 G N -1.098 107.760 108.800 0.097 0.000 2.283 173 G HA2 -0.062 3.896 3.960 -0.002 0.000 0.280 173 G HA3 -0.062 3.896 3.960 -0.002 0.000 0.280 173 G C 0.336 175.281 174.900 0.075 0.000 1.029 173 G CA 1.659 46.811 45.100 0.086 0.000 0.840 173 G HN 1.727 nan 8.290 nan 0.000 0.505 174 R N -2.351 118.202 120.500 0.089 0.000 2.810 174 R HA 0.759 5.098 4.340 -0.002 0.000 0.266 174 R C -1.130 175.190 176.300 0.033 0.000 1.061 174 R CA -1.151 54.974 56.100 0.042 0.000 0.943 174 R CB 1.294 31.585 30.300 -0.015 0.000 1.237 174 R HN 0.170 nan 8.270 nan 0.000 0.459 175 V N 1.222 121.105 119.914 -0.053 0.000 2.398 175 V HA 0.406 4.525 4.120 -0.002 0.000 0.286 175 V C -0.304 175.780 176.094 -0.017 0.000 1.026 175 V CA -0.500 61.703 62.300 -0.161 0.000 0.868 175 V CB 1.615 33.275 31.823 -0.271 0.000 0.982 175 V HN 0.752 nan 8.190 nan 0.000 0.443 176 S N 4.059 119.740 115.700 -0.033 0.000 2.690 176 S HA 0.723 5.192 4.470 -0.002 0.000 0.291 176 S C -0.609 174.102 174.600 0.186 0.000 1.138 176 S CA -0.480 57.829 58.200 0.182 0.000 1.013 176 S CB 1.711 65.008 63.200 0.161 0.000 1.053 176 S HN 0.532 nan 8.310 nan 0.000 0.539 177 L N 2.961 124.365 121.223 0.302 0.000 2.309 177 L HA 0.745 5.084 4.340 -0.002 0.000 0.282 177 L C -1.038 176.023 176.870 0.319 0.000 1.036 177 L CA -0.354 54.551 54.840 0.108 0.000 0.806 177 L CB 0.531 42.456 42.059 -0.223 0.000 1.220 177 L HN 0.634 nan 8.230 nan 0.000 0.429 178 F N 1.490 121.542 119.950 0.171 0.000 2.613 178 F HA 0.922 5.448 4.527 -0.002 0.000 0.314 178 F C -0.634 175.280 175.800 0.191 0.000 1.075 178 F CA -0.402 57.719 58.000 0.202 0.000 0.945 178 F CB 1.605 40.775 39.000 0.283 0.000 1.310 178 F HN 0.610 nan 8.300 nan 0.000 0.467 179 T N -0.680 114.122 114.554 0.414 0.000 2.883 179 T HA 0.776 5.125 4.350 -0.002 0.000 0.296 179 T C -1.055 173.826 174.700 0.302 0.000 1.117 179 T CA -0.571 61.680 62.100 0.251 0.000 1.006 179 T CB 1.514 70.504 68.868 0.204 0.000 1.191 179 T HN 1.082 nan 8.240 nan 0.000 0.508 180 S N 0.364 116.188 115.700 0.207 0.000 2.705 180 S HA 0.605 5.074 4.470 -0.002 0.000 0.280 180 S C -1.724 172.930 174.600 0.091 0.000 1.174 180 S CA -0.853 57.434 58.200 0.146 0.000 0.823 180 S CB 1.688 64.983 63.200 0.157 0.000 1.162 180 S HN 0.913 nan 8.310 nan 0.000 0.487 181 N N 1.197 119.933 118.700 0.059 0.000 2.314 181 N HA 0.344 5.083 4.740 -0.002 0.000 0.304 181 N C 0.274 175.804 175.510 0.034 0.000 1.073 181 N CA -0.432 52.643 53.050 0.042 0.000 0.822 181 N CB 1.711 40.216 38.487 0.029 0.000 1.280 181 N HN 0.533 nan 8.380 nan 0.000 0.489 182 L N 3.296 124.540 121.223 0.035 0.000 2.217 182 L HA 0.004 4.343 4.340 -0.002 0.000 0.211 182 L C 1.874 178.756 176.870 0.021 0.000 1.107 182 L CA 1.706 56.565 54.840 0.031 0.000 0.783 182 L CB -0.444 41.638 42.059 0.038 0.000 0.919 182 L HN 0.701 nan 8.230 nan 0.000 0.442 183 S N -2.740 112.970 115.700 0.018 0.000 2.475 183 S HA 0.049 4.518 4.470 -0.002 0.000 0.224 183 S C 1.523 176.126 174.600 0.006 0.000 1.042 183 S CA 0.424 58.631 58.200 0.013 0.000 0.935 183 S CB -0.239 62.969 63.200 0.014 0.000 0.801 183 S HN 0.490 nan 8.310 nan 0.000 0.509 184 S N 0.216 115.919 115.700 0.004 0.000 2.666 184 S HA 0.603 5.072 4.470 -0.002 0.000 0.239 184 S C 1.272 175.866 174.600 -0.009 0.000 1.031 184 S CA 0.139 58.337 58.200 -0.002 0.000 1.015 184 S CB -0.065 63.136 63.200 0.001 0.000 0.981 184 S HN 1.128 nan 8.310 nan 0.000 0.547 185 G N 1.688 110.484 108.800 -0.008 0.000 2.574 185 G HA2 0.217 4.176 3.960 -0.002 0.000 0.286 185 G HA3 0.217 4.176 3.960 -0.002 0.000 0.286 185 G C 0.623 175.514 174.900 -0.015 0.000 1.212 185 G CA 0.025 45.113 45.100 -0.020 0.000 0.979 185 G HN 2.056 nan 8.290 nan 0.000 0.557 186 G N -2.316 106.461 108.800 -0.038 0.000 2.760 186 G HA2 0.395 4.353 3.960 -0.002 0.000 0.246 186 G HA3 0.395 4.353 3.960 -0.002 0.000 0.246 186 G C -0.667 174.211 174.900 -0.037 0.000 1.359 186 G CA 0.402 45.478 45.100 -0.040 0.000 0.861 186 G HN 2.328 nan 8.290 nan 0.000 0.541 187 L N -0.559 120.638 121.223 -0.044 0.000 2.505 187 L HA 0.897 5.236 4.340 -0.002 0.000 0.259 187 L C -0.404 176.439 176.870 -0.045 0.000 0.952 187 L CA -0.713 54.106 54.840 -0.035 0.000 0.840 187 L CB 2.093 44.073 42.059 -0.131 0.000 1.358 187 L HN 0.933 nan 8.230 nan 0.000 0.409 188 R N 3.403 123.894 120.500 -0.014 0.000 2.621 188 R HA 0.858 5.197 4.340 -0.002 0.000 0.284 188 R C -1.819 174.273 176.300 -0.347 0.000 0.998 188 R CA -0.945 55.031 56.100 -0.207 0.000 0.895 188 R CB 2.495 32.709 30.300 -0.143 0.000 1.195 188 R HN 0.394 nan 8.270 nan 0.000 0.450 189 V N 3.757 123.294 119.914 -0.628 0.000 2.569 189 V HA 0.533 4.652 4.120 -0.002 0.000 0.301 189 V C -1.158 174.608 176.094 -0.547 0.000 1.044 189 V CA -0.820 61.269 62.300 -0.352 0.000 0.874 189 V CB 1.470 33.308 31.823 0.026 0.000 1.002 189 V HN 0.553 nan 8.190 nan 0.000 0.424 190 F N 2.398 122.456 119.950 0.180 0.000 2.561 190 F HA 0.850 5.376 4.527 -0.002 0.000 0.321 190 F C 0.042 176.010 175.800 0.279 0.000 1.065 190 F CA -0.841 57.263 58.000 0.173 0.000 0.934 190 F CB 1.977 41.042 39.000 0.109 0.000 1.215 190 F HN 0.704 nan 8.300 nan 0.000 0.471 191 D N -1.308 119.350 120.400 0.431 0.000 2.626 191 D HA 0.582 5.221 4.640 -0.002 0.000 0.278 191 D C -1.543 174.871 176.300 0.190 0.000 1.211 191 D CA -0.905 53.300 54.000 0.342 0.000 0.903 191 D CB 1.989 42.906 40.800 0.193 0.000 1.408 191 D HN 0.449 nan 8.370 nan 0.000 0.454 192 S N -1.457 114.223 115.700 -0.034 0.000 2.521 192 S HA 0.584 5.053 4.470 -0.002 0.000 0.295 192 S C 0.875 175.432 174.600 -0.073 0.000 1.098 192 S CA -0.327 57.824 58.200 -0.082 0.000 0.999 192 S CB 1.264 64.303 63.200 -0.268 0.000 1.034 192 S HN 0.729 nan 8.310 nan 0.000 0.483 193 G N 2.065 110.848 108.800 -0.028 0.000 2.650 193 G HA2 0.009 3.968 3.960 -0.002 0.000 0.214 193 G HA3 0.009 3.968 3.960 -0.002 0.000 0.214 193 G C 0.907 175.784 174.900 -0.039 0.000 1.136 193 G CA 0.209 45.296 45.100 -0.022 0.000 0.789 193 G HN 0.790 nan 8.290 nan 0.000 0.536 194 E N -0.374 119.789 120.200 -0.061 0.000 2.230 194 E HA 0.266 4.615 4.350 -0.002 0.000 0.192 194 E C 1.494 178.042 176.600 -0.085 0.000 0.987 194 E CA 0.515 56.877 56.400 -0.063 0.000 0.841 194 E CB 0.377 30.040 29.700 -0.061 0.000 0.783 194 E HN 0.419 nan 8.360 nan 0.000 0.481 195 G N 0.120 108.839 108.800 -0.133 0.000 2.491 195 G HA2 0.002 3.960 3.960 -0.002 0.000 0.183 195 G HA3 0.002 3.960 3.960 -0.002 0.000 0.183 195 G C -1.107 173.653 174.900 -0.234 0.000 1.221 195 G CA -0.554 44.461 45.100 -0.141 0.000 0.996 195 G HN 0.033 nan 8.290 nan 0.000 0.474 196 S N -0.210 115.357 115.700 -0.220 0.000 2.503 196 S HA 0.723 5.192 4.470 -0.002 0.000 0.301 196 S C -0.790 173.646 174.600 -0.272 0.000 1.087 196 S CA -0.411 57.646 58.200 -0.238 0.000 1.042 196 S CB 1.083 64.229 63.200 -0.090 0.000 1.043 196 S HN 0.429 nan 8.310 nan 0.000 0.489 197 F N 2.040 121.971 119.950 -0.031 0.000 2.443 197 F HA 0.188 4.714 4.527 -0.002 0.000 0.353 197 F C 1.764 177.527 175.800 -0.061 0.000 1.101 197 F CA -0.158 57.818 58.000 -0.041 0.000 1.226 197 F CB 1.005 39.979 39.000 -0.043 0.000 1.140 197 F HN 0.720 nan 8.300 nan 0.000 0.557 198 S N -0.105 115.688 115.700 0.154 0.000 2.520 198 S HA 0.291 4.760 4.470 -0.002 0.000 0.219 198 S C -0.018 174.609 174.600 0.044 0.000 1.028 198 S CA 0.321 58.562 58.200 0.069 0.000 0.921 198 S CB 0.078 63.322 63.200 0.072 0.000 0.844 198 S HN 0.609 nan 8.310 nan 0.000 0.495 199 S N -0.190 115.526 115.700 0.027 0.000 2.586 199 S HA 0.771 5.240 4.470 -0.002 0.000 0.277 199 S C -1.125 173.409 174.600 -0.110 0.000 1.131 199 S CA -0.530 57.642 58.200 -0.047 0.000 0.848 199 S CB 0.962 64.115 63.200 -0.079 0.000 1.091 199 S HN 1.245 nan 8.310 nan 0.000 0.453 200 A N 0.641 123.366 122.820 -0.159 0.000 2.515 200 A HA 0.962 5.281 4.320 -0.002 0.000 0.298 200 A C -0.530 176.947 177.584 -0.178 0.000 1.059 200 A CA -0.610 51.318 52.037 -0.182 0.000 0.698 200 A CB 1.851 20.735 19.000 -0.193 0.000 1.289 200 A HN 1.456 nan 8.150 nan 0.000 0.404 201 S N 0.321 115.941 115.700 -0.133 0.000 2.579 201 S HA 0.730 5.199 4.470 -0.002 0.000 0.272 201 S C -1.340 173.297 174.600 0.062 0.000 1.141 201 S CA -0.476 57.709 58.200 -0.026 0.000 0.843 201 S CB 0.863 64.047 63.200 -0.026 0.000 1.122 201 S HN 0.628 nan 8.310 nan 0.000 0.468 202 I N 3.340 123.935 120.570 0.041 0.000 2.336 202 I HA 0.321 4.490 4.170 -0.002 0.000 0.292 202 I C 0.743 176.658 176.117 -0.337 0.000 0.991 202 I CA -0.442 60.806 61.300 -0.087 0.000 1.227 202 I CB 1.800 39.750 38.000 -0.083 0.000 1.366 202 I HN 0.694 nan 8.210 nan 0.000 0.466 203 S N 6.020 121.412 115.700 -0.513 0.000 2.589 203 S HA 0.240 4.709 4.470 -0.002 0.000 0.265 203 S C -1.788 172.455 174.600 -0.595 0.000 1.342 203 S CA -0.886 56.731 58.200 -0.972 0.000 1.005 203 S CB 0.597 63.475 63.200 -0.537 0.000 0.909 203 S HN 0.385 nan 8.310 nan 0.000 0.555 204 P HA -0.051 nan 4.420 nan 0.000 0.216 204 P C 1.473 178.650 177.300 -0.204 0.000 1.154 204 P CA 1.883 64.805 63.100 -0.295 0.000 0.865 204 P CB -0.511 31.050 31.700 -0.232 0.000 0.789 205 G N -1.853 106.830 108.800 -0.195 0.000 2.848 205 G HA2 -0.033 3.926 3.960 -0.002 0.000 0.208 205 G HA3 -0.033 3.926 3.960 -0.002 0.000 0.208 205 G C 0.487 175.312 174.900 -0.125 0.000 1.152 205 G CA 0.032 45.053 45.100 -0.133 0.000 0.789 205 G HN 0.078 nan 8.290 nan 0.000 0.531 206 M N -0.623 118.884 119.600 -0.155 0.000 2.705 206 M HA -0.117 4.362 4.480 -0.002 0.000 0.213 206 M C -0.453 175.777 176.300 -0.115 0.000 0.480 206 M CA 0.898 56.125 55.300 -0.122 0.000 0.656 206 M CB -2.165 30.387 32.600 -0.081 0.000 2.443 206 M HN 0.212 nan 8.290 nan 0.000 0.703 207 K N 0.417 120.734 120.400 -0.139 0.000 2.118 207 K HA 0.728 5.046 4.320 -0.002 0.000 0.254 207 K C 0.173 176.689 176.600 -0.140 0.000 0.961 207 K CA -0.720 55.488 56.287 -0.132 0.000 0.876 207 K CB 2.361 34.791 32.500 -0.117 0.000 1.077 207 K HN 0.040 nan 8.250 nan 0.000 0.440 208 V N 2.269 122.087 119.914 -0.159 0.000 2.406 208 V HA 0.106 4.225 4.120 -0.002 0.000 0.272 208 V C 0.137 176.146 176.094 -0.142 0.000 1.043 208 V CA -0.371 61.832 62.300 -0.161 0.000 0.915 208 V CB 1.019 32.702 31.823 -0.233 0.000 0.988 208 V HN 0.676 nan 8.190 nan 0.000 0.466 209 T N 5.357 119.874 114.554 -0.061 0.000 2.743 209 T HA 0.654 5.003 4.350 -0.002 0.000 0.293 209 T C 0.192 174.812 174.700 -0.134 0.000 0.945 209 T CA -0.087 61.978 62.100 -0.059 0.000 1.030 209 T CB 1.151 70.039 68.868 0.033 0.000 0.912 209 T HN 0.916 nan 8.240 nan 0.000 0.483 210 A N 2.649 125.379 122.820 -0.149 0.000 2.380 210 A HA 0.890 5.209 4.320 -0.002 0.000 0.315 210 A C 0.267 177.851 177.584 -0.001 0.000 1.101 210 A CA -0.880 51.074 52.037 -0.138 0.000 0.771 210 A CB 1.430 20.242 19.000 -0.313 0.000 1.287 210 A HN 0.896 nan 8.150 nan 0.000 0.436 211 G N -0.111 108.722 108.800 0.055 0.000 2.343 211 G HA2 0.548 4.507 3.960 -0.002 0.000 0.319 211 G HA3 0.548 4.507 3.960 -0.002 0.000 0.319 211 G C -1.185 173.844 174.900 0.216 0.000 1.126 211 G CA -0.237 44.927 45.100 0.107 0.000 0.889 211 G HN 0.875 nan 8.290 nan 0.000 0.457 212 L N 1.651 122.976 121.223 0.169 0.000 2.325 212 L HA 0.542 4.881 4.340 -0.002 0.000 0.281 212 L C -0.163 176.716 176.870 0.014 0.000 1.004 212 L CA -0.555 54.328 54.840 0.071 0.000 0.823 212 L CB 1.536 43.624 42.059 0.049 0.000 1.236 212 L HN 0.559 nan 8.230 nan 0.000 0.415 213 E N 2.957 123.140 120.200 -0.028 0.000 2.204 213 E HA 0.588 4.937 4.350 -0.002 0.000 0.276 213 E C -0.507 176.066 176.600 -0.045 0.000 0.974 213 E CA -0.493 55.898 56.400 -0.014 0.000 0.815 213 E CB 1.730 31.432 29.700 0.003 0.000 1.119 213 E HN 0.734 nan 8.360 nan 0.000 0.393 214 T N -2.074 112.464 114.554 -0.026 0.000 2.676 214 T HA 0.512 4.861 4.350 -0.002 0.000 0.269 214 T C 0.852 175.545 174.700 -0.012 0.000 0.952 214 T CA -0.215 61.866 62.100 -0.030 0.000 1.040 214 T CB 1.078 69.930 68.868 -0.026 0.000 1.352 214 T HN 0.330 nan 8.240 nan 0.000 0.554 215 A N -0.351 122.465 122.820 -0.007 0.000 2.216 215 A HA 0.215 4.534 4.320 -0.002 0.000 0.214 215 A C 2.071 179.670 177.584 0.024 0.000 1.160 215 A CA 0.770 52.813 52.037 0.011 0.000 0.725 215 A CB -0.636 18.370 19.000 0.009 0.000 0.784 215 A HN 0.767 nan 8.150 nan 0.000 0.472 216 R N -1.780 118.727 120.500 0.011 0.000 4.494 216 R HA 0.288 4.627 4.340 -0.002 0.000 0.124 216 R C -0.352 175.945 176.300 -0.004 0.000 1.588 216 R CA -0.163 55.944 56.100 0.012 0.000 1.083 216 R CB 0.451 30.753 30.300 0.003 0.000 1.313 216 R HN 0.363 nan 8.270 nan 0.000 0.426 217 E N 0.004 120.194 120.200 -0.017 0.000 2.263 217 E HA 0.609 4.958 4.350 -0.002 0.000 0.264 217 E C -1.492 175.094 176.600 -0.022 0.000 0.923 217 E CA -0.744 55.637 56.400 -0.032 0.000 0.802 217 E CB 2.296 31.963 29.700 -0.055 0.000 1.228 217 E HN 0.325 nan 8.360 nan 0.000 0.417 218 A N 1.923 124.731 122.820 -0.019 0.000 2.306 218 A HA 0.737 5.056 4.320 -0.002 0.000 0.330 218 A C -0.429 177.174 177.584 0.031 0.000 1.146 218 A CA -0.536 51.513 52.037 0.020 0.000 0.827 218 A CB 0.693 19.728 19.000 0.059 0.000 1.178 218 A HN 0.718 nan 8.150 nan 0.000 0.490 219 R N 0.826 121.376 120.500 0.084 0.000 2.781 219 R HA 0.723 5.062 4.340 -0.002 0.000 0.269 219 R C -1.850 174.551 176.300 0.168 0.000 1.025 219 R CA -0.909 55.275 56.100 0.139 0.000 0.914 219 R CB 0.962 31.309 30.300 0.078 0.000 1.236 219 R HN 0.468 nan 8.270 nan 0.000 0.465 220 L N 2.057 123.392 121.223 0.186 0.000 2.292 220 L HA 0.544 4.883 4.340 -0.002 0.000 0.284 220 L C -0.117 176.787 176.870 0.057 0.000 1.065 220 L CA -0.935 53.952 54.840 0.077 0.000 0.806 220 L CB 1.716 43.765 42.059 -0.017 0.000 1.175 220 L HN 0.570 nan 8.230 nan 0.000 0.431 221 V N -0.216 119.724 119.914 0.043 0.000 2.914 221 V HA 0.634 4.753 4.120 -0.002 0.000 0.314 221 V C -0.262 175.819 176.094 -0.022 0.000 1.084 221 V CA -0.431 61.889 62.300 0.033 0.000 0.963 221 V CB 2.018 33.897 31.823 0.093 0.000 1.025 221 V HN 0.634 nan 8.190 nan 0.000 0.432 222 T N 2.742 117.275 114.554 -0.036 0.000 2.824 222 T HA 0.689 5.038 4.350 -0.002 0.000 0.280 222 T C -0.618 174.016 174.700 -0.111 0.000 0.995 222 T CA -0.257 61.798 62.100 -0.075 0.000 1.009 222 T CB 1.404 70.238 68.868 -0.055 0.000 0.955 222 T HN 0.776 nan 8.240 nan 0.000 0.452 223 V N 3.852 123.652 119.914 -0.189 0.000 2.444 223 V HA 0.331 4.450 4.120 -0.002 0.000 0.294 223 V C -0.146 175.782 176.094 -0.277 0.000 1.022 223 V CA -0.983 61.148 62.300 -0.280 0.000 0.850 223 V CB 1.806 33.333 31.823 -0.495 0.000 0.992 223 V HN 0.793 nan 8.190 nan 0.000 0.426 224 D N 6.833 127.105 120.400 -0.213 0.000 2.365 224 D HA 0.277 4.916 4.640 -0.002 0.000 0.237 224 D C -1.945 174.249 176.300 -0.177 0.000 1.190 224 D CA -1.830 52.076 54.000 -0.156 0.000 0.867 224 D CB 2.135 42.885 40.800 -0.085 0.000 1.050 224 D HN 0.249 nan 8.370 nan 0.000 0.491 225 P HA 0.019 nan 4.420 nan 0.000 0.252 225 P C 0.751 178.116 177.300 0.109 0.000 1.265 225 P CA 0.585 63.633 63.100 -0.086 0.000 0.775 225 P CB 0.263 31.959 31.700 -0.008 0.000 1.128 226 R N -0.454 120.075 120.500 0.047 0.000 2.191 226 R HA 0.126 4.465 4.340 -0.002 0.000 0.196 226 R C 1.447 177.790 176.300 0.072 0.000 0.991 226 R CA 0.878 57.017 56.100 0.064 0.000 1.075 226 R CB -1.238 29.077 30.300 0.025 0.000 1.040 226 R HN 0.058 nan 8.270 nan 0.000 0.526 227 D N -0.929 119.501 120.400 0.050 0.000 2.367 227 D HA 0.155 4.794 4.640 -0.002 0.000 0.207 227 D C 1.180 177.537 176.300 0.095 0.000 1.034 227 D CA 1.048 55.081 54.000 0.056 0.000 0.861 227 D CB 0.881 41.697 40.800 0.025 0.000 0.943 227 D HN 0.563 nan 8.370 nan 0.000 0.515 228 G N 1.426 110.302 108.800 0.127 0.000 2.189 228 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.267 228 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.267 228 G C 0.553 175.479 174.900 0.043 0.000 0.975 228 G CA 0.805 46.013 45.100 0.180 0.000 0.644 228 G HN 0.492 nan 8.290 nan 0.000 0.537 229 S N -0.634 115.068 115.700 0.004 0.000 2.525 229 S HA 0.508 4.976 4.470 -0.002 0.000 0.285 229 S C 0.336 174.909 174.600 -0.045 0.000 1.283 229 S CA 0.138 58.334 58.200 -0.006 0.000 1.072 229 S CB 2.081 65.276 63.200 -0.008 0.000 0.867 229 S HN 1.667 nan 8.310 nan 0.000 0.492 230 V N 3.635 123.541 119.914 -0.012 0.000 2.667 230 V HA 0.825 4.944 4.120 -0.002 0.000 0.308 230 V C -0.578 175.517 176.094 0.002 0.000 1.048 230 V CA -0.456 61.838 62.300 -0.009 0.000 0.928 230 V CB 1.514 33.366 31.823 0.048 0.000 1.004 230 V HN 1.189 nan 8.190 nan 0.000 0.444 231 E N 3.075 123.274 120.200 -0.002 0.000 2.423 231 E HA 0.425 4.774 4.350 -0.002 0.000 0.280 231 E C -1.861 174.746 176.600 0.012 0.000 1.030 231 E CA -1.043 55.361 56.400 0.007 0.000 0.812 231 E CB 1.242 30.942 29.700 -0.001 0.000 1.313 231 E HN 0.481 nan 8.360 nan 0.000 0.456 232 D N 0.962 121.373 120.400 0.018 0.000 2.424 232 D HA 0.139 4.778 4.640 -0.002 0.000 0.244 232 D C -0.612 175.697 176.300 0.015 0.000 1.134 232 D CA -0.174 53.840 54.000 0.024 0.000 0.881 232 D CB 1.039 41.856 40.800 0.028 0.000 1.191 232 D HN 0.243 nan 8.370 nan 0.000 0.445 233 L N 3.533 124.766 121.223 0.016 0.000 2.260 233 L HA 0.145 4.484 4.340 -0.002 0.000 0.289 233 L C -0.165 176.711 176.870 0.010 0.000 1.057 233 L CA -0.300 54.541 54.840 0.002 0.000 0.811 233 L CB 0.537 42.584 42.059 -0.020 0.000 1.184 233 L HN 0.105 nan 8.230 nan 0.000 0.429 234 E N 5.811 126.016 120.200 0.009 0.000 2.259 234 E HA 0.313 4.662 4.350 -0.002 0.000 0.281 234 E C -0.540 176.064 176.600 0.006 0.000 1.037 234 E CA -0.082 56.327 56.400 0.015 0.000 0.854 234 E CB 1.227 30.936 29.700 0.014 0.000 1.051 234 E HN 0.600 nan 8.360 nan 0.000 0.409 235 L N 4.579 125.808 121.223 0.010 0.000 2.375 235 L HA 0.318 4.657 4.340 -0.002 0.000 0.268 235 L C -1.138 175.742 176.870 0.016 0.000 1.058 235 L CA -1.809 53.029 54.840 -0.004 0.000 0.803 235 L CB 1.180 43.217 42.059 -0.036 0.000 1.212 235 L HN 0.303 nan 8.230 nan 0.000 0.451 236 P HA -0.028 nan 4.420 nan 0.000 0.227 236 P C 0.395 177.715 177.300 0.032 0.000 1.161 236 P CA 0.494 63.607 63.100 0.021 0.000 0.788 236 P CB 0.450 32.160 31.700 0.016 0.000 0.822 237 S N -0.159 115.568 115.700 0.044 0.000 2.565 237 S HA 0.344 4.813 4.470 -0.002 0.000 0.290 237 S C 0.832 175.480 174.600 0.080 0.000 1.150 237 S CA -0.559 57.679 58.200 0.063 0.000 1.058 237 S CB 0.777 64.026 63.200 0.082 0.000 1.032 237 S HN -0.276 nan 8.310 nan 0.000 0.510 238 K N 2.349 122.798 120.400 0.082 0.000 2.387 238 K HA 0.186 4.505 4.320 -0.002 0.000 0.198 238 K C 0.681 177.345 176.600 0.107 0.000 1.022 238 K CA 0.103 56.439 56.287 0.082 0.000 1.128 238 K CB -0.283 32.250 32.500 0.055 0.000 0.853 238 K HN 0.579 nan 8.250 nan 0.000 0.523 239 D N 0.475 120.971 120.400 0.160 0.000 2.123 239 D HA -0.191 4.448 4.640 -0.002 0.000 0.196 239 D C 1.549 177.980 176.300 0.218 0.000 0.992 239 D CA 0.937 55.081 54.000 0.239 0.000 0.833 239 D CB -0.116 40.893 40.800 0.349 0.000 0.954 239 D HN 0.168 nan 8.370 nan 0.000 0.455 240 F N 2.025 121.901 119.950 -0.124 0.000 2.102 240 F HA -0.235 4.290 4.527 -0.002 0.000 0.298 240 F C 2.503 178.174 175.800 -0.214 0.000 1.105 240 F CA 1.990 59.646 58.000 -0.573 0.000 1.239 240 F CB -0.394 38.192 39.000 -0.691 0.000 0.991 240 F HN -0.052 nan 8.300 nan 0.000 0.474 241 S N -0.831 114.757 115.700 -0.187 0.000 2.383 241 S HA -0.159 4.310 4.470 -0.002 0.000 0.227 241 S C 2.044 176.544 174.600 -0.166 0.000 1.026 241 S CA 1.161 59.211 58.200 -0.251 0.000 0.981 241 S CB -1.001 62.153 63.200 -0.077 0.000 0.818 241 S HN 0.360 nan 8.310 nan 0.000 0.472 242 S N 0.840 116.513 115.700 -0.046 0.000 2.469 242 S HA -0.053 4.416 4.470 -0.002 0.000 0.238 242 S C 1.365 175.977 174.600 0.021 0.000 0.998 242 S CA 0.986 59.186 58.200 -0.001 0.000 0.957 242 S CB -0.528 62.705 63.200 0.056 0.000 0.764 242 S HN 0.710 nan 8.310 nan 0.000 0.514 243 Y N 1.944 122.177 120.300 -0.112 0.000 2.457 243 Y HA 0.146 4.695 4.550 -0.002 0.000 0.292 243 Y C 0.746 176.585 175.900 -0.102 0.000 1.125 243 Y CA 0.491 58.570 58.100 -0.035 0.000 1.254 243 Y CB -0.052 38.467 38.460 0.097 0.000 1.012 243 Y HN -0.024 nan 8.280 nan 0.000 0.555 244 R N 0.235 120.611 120.500 -0.207 0.000 3.209 244 R HA -0.145 4.194 4.340 -0.002 0.000 0.252 244 R C -2.779 173.367 176.300 -0.256 0.000 0.958 244 R CA 0.373 56.331 56.100 -0.237 0.000 0.651 244 R CB -1.628 28.556 30.300 -0.193 0.000 1.142 244 R HN 0.326 nan 8.270 nan 0.000 0.441 245 P HA 0.041 nan 4.420 nan 0.000 0.274 245 P C 0.477 177.754 177.300 -0.039 0.000 1.231 245 P CA 0.087 63.175 63.100 -0.021 0.000 0.790 245 P CB 1.211 32.988 31.700 0.128 0.000 0.951 246 T N -1.822 112.727 114.554 -0.009 0.000 3.069 246 T HA 0.553 4.902 4.350 -0.002 0.000 0.252 246 T C 0.494 175.206 174.700 0.021 0.000 1.053 246 T CA -0.119 61.972 62.100 -0.015 0.000 0.964 246 T CB 0.002 68.837 68.868 -0.054 0.000 1.005 246 T HN 0.642 nan 8.240 nan 0.000 0.532 247 A N 0.710 123.572 122.820 0.071 0.000 2.604 247 A HA 0.742 5.060 4.320 -0.002 0.000 0.295 247 A C -1.705 175.971 177.584 0.154 0.000 1.067 247 A CA -0.963 51.128 52.037 0.089 0.000 0.683 247 A CB 1.091 20.131 19.000 0.067 0.000 1.281 247 A HN 0.371 nan 8.150 nan 0.000 0.407 248 I N 1.877 122.534 120.570 0.146 0.000 2.448 248 I HA 0.266 4.435 4.170 -0.002 0.000 0.281 248 I C 0.968 177.177 176.117 0.154 0.000 1.027 248 I CA -0.386 61.019 61.300 0.174 0.000 1.111 248 I CB 2.151 40.246 38.000 0.158 0.000 1.236 248 I HN 0.767 nan 8.210 nan 0.000 0.452 249 T N 3.898 118.569 114.554 0.194 0.000 2.812 249 T HA -0.084 4.265 4.350 -0.002 0.000 0.264 249 T C -0.236 174.639 174.700 0.292 0.000 1.042 249 T CA 1.253 63.477 62.100 0.207 0.000 1.140 249 T CB 0.042 69.040 68.868 0.217 0.000 0.870 249 T HN 0.643 nan 8.240 nan 0.000 0.445 250 W N 0.703 122.035 121.300 0.053 0.000 3.464 250 W HA 0.459 5.118 4.660 -0.002 0.000 0.292 250 W C -2.635 173.885 176.519 0.002 0.000 1.262 250 W CA -1.477 55.886 57.345 0.030 0.000 1.202 250 W CB 0.818 30.301 29.460 0.038 0.000 1.334 250 W HN 0.096 nan 8.180 nan 0.000 0.561 251 L N 3.093 123.625 121.223 -1.151 0.000 2.465 251 L HA 1.130 5.469 4.340 -0.002 0.000 0.257 251 L C -0.515 175.266 176.870 -1.815 0.000 0.988 251 L CA -0.667 53.430 54.840 -1.239 0.000 0.827 251 L CB 1.848 43.532 42.059 -0.624 0.000 1.397 251 L HN 0.797 nan 8.230 nan 0.000 0.410 252 G N -0.006 107.988 108.800 -1.342 0.000 2.732 252 G HA2 0.530 4.489 3.960 -0.002 0.000 0.296 252 G HA3 0.530 4.489 3.960 -0.002 0.000 0.296 252 G C -2.257 172.410 174.900 -0.388 0.000 1.448 252 G CA -0.625 44.045 45.100 -0.717 0.000 0.911 252 G HN 0.527 nan 8.290 nan 0.000 0.528 253 Y N 1.011 121.243 120.300 -0.114 0.000 2.336 253 Y HA 0.461 5.010 4.550 -0.002 0.000 0.335 253 Y C 1.190 177.067 175.900 -0.039 0.000 1.046 253 Y CA -0.385 57.667 58.100 -0.079 0.000 1.198 253 Y CB 1.146 39.544 38.460 -0.104 0.000 1.182 253 Y HN 0.270 nan 8.280 nan 0.000 0.502 254 L N 5.610 126.875 121.223 0.070 0.000 2.468 254 L HA 0.210 4.549 4.340 -0.002 0.000 0.254 254 L C -1.323 175.429 176.870 -0.196 0.000 1.171 254 L CA -1.833 52.968 54.840 -0.065 0.000 0.809 254 L CB 0.341 42.391 42.059 -0.015 0.000 1.155 254 L HN 0.443 nan 8.230 nan 0.000 0.473 255 P HA -0.154 nan 4.420 nan 0.000 0.219 255 P C 0.442 177.643 177.300 -0.166 0.000 1.146 255 P CA 1.031 63.919 63.100 -0.355 0.000 0.808 255 P CB -0.021 31.410 31.700 -0.450 0.000 0.779 256 D N -2.321 118.011 120.400 -0.114 0.000 2.349 256 D HA 0.108 4.747 4.640 -0.002 0.000 0.224 256 D C 1.408 177.690 176.300 -0.030 0.000 1.029 256 D CA 0.671 54.636 54.000 -0.059 0.000 0.879 256 D CB -0.906 39.871 40.800 -0.039 0.000 0.906 256 D HN 0.198 nan 8.370 nan 0.000 0.528 257 G N -0.118 108.676 108.800 -0.010 0.000 2.175 257 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.244 257 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.244 257 G C 0.252 175.238 174.900 0.143 0.000 0.982 257 G CA -0.205 44.922 45.100 0.044 0.000 0.641 257 G HN 0.430 nan 8.290 nan 0.000 0.527 258 R N -0.481 120.070 120.500 0.086 0.000 2.459 258 R HA 0.608 4.947 4.340 -0.002 0.000 0.281 258 R C -0.269 176.029 176.300 -0.004 0.000 1.050 258 R CA -0.742 55.388 56.100 0.051 0.000 1.055 258 R CB 1.257 31.565 30.300 0.014 0.000 1.045 258 R HN 0.187 nan 8.270 nan 0.000 0.495 259 L N 2.061 123.204 121.223 -0.134 0.000 2.264 259 L HA 0.423 4.762 4.340 -0.002 0.000 0.289 259 L C -0.688 176.031 176.870 -0.251 0.000 1.044 259 L CA 0.024 54.608 54.840 -0.427 0.000 0.807 259 L CB 1.284 43.001 42.059 -0.569 0.000 1.192 259 L HN 0.744 nan 8.230 nan 0.000 0.425 260 A N 5.157 127.852 122.820 -0.209 0.000 2.301 260 A HA 0.786 5.105 4.320 -0.002 0.000 0.312 260 A C -1.079 176.465 177.584 -0.067 0.000 1.182 260 A CA -0.484 51.547 52.037 -0.011 0.000 0.826 260 A CB 1.059 20.198 19.000 0.231 0.000 1.134 260 A HN 0.548 nan 8.150 nan 0.000 0.501 261 V N 2.942 122.878 119.914 0.037 0.000 2.686 261 V HA 0.382 4.501 4.120 -0.002 0.000 0.306 261 V C -0.635 175.619 176.094 0.266 0.000 1.065 261 V CA -0.544 61.774 62.300 0.029 0.000 0.894 261 V CB 1.900 33.571 31.823 -0.254 0.000 1.004 261 V HN 0.667 nan 8.190 nan 0.000 0.424 262 V N 3.937 124.050 119.914 0.332 0.000 2.370 262 V HA 0.881 5.000 4.120 -0.002 0.000 0.283 262 V C 0.330 176.624 176.094 0.334 0.000 1.023 262 V CA -0.157 62.340 62.300 0.328 0.000 0.857 262 V CB 1.410 33.424 31.823 0.318 0.000 0.985 262 V HN 1.050 nan 8.190 nan 0.000 0.443 263 A N 6.105 129.159 122.820 0.390 0.000 2.469 263 A HA 0.950 5.269 4.320 -0.002 0.000 0.299 263 A C -0.549 177.282 177.584 0.411 0.000 1.098 263 A CA -0.911 51.371 52.037 0.408 0.000 0.737 263 A CB 1.787 21.109 19.000 0.537 0.000 1.312 263 A HN 0.758 nan 8.150 nan 0.000 0.414 264 R N 0.226 120.955 120.500 0.381 0.000 2.750 264 R HA 0.764 5.103 4.340 -0.002 0.000 0.281 264 R C -0.749 175.712 176.300 0.268 0.000 0.972 264 R CA -0.801 55.493 56.100 0.324 0.000 0.912 264 R CB 2.643 33.045 30.300 0.171 0.000 1.187 264 R HN 0.785 nan 8.270 nan 0.000 0.464 265 R N 1.332 121.953 120.500 0.201 0.000 2.535 265 R HA 0.099 4.438 4.340 -0.002 0.000 0.274 265 R C -1.127 175.190 176.300 0.027 0.000 1.090 265 R CA -0.301 55.797 56.100 -0.002 0.000 0.930 265 R CB 1.242 31.395 30.300 -0.246 0.000 1.223 265 R HN 0.838 nan 8.270 nan 0.000 0.441 266 E N 2.483 122.638 120.200 -0.074 0.000 2.320 266 E HA -0.237 4.112 4.350 -0.002 0.000 0.234 266 E C 0.456 177.182 176.600 0.210 0.000 1.183 266 E CA 0.936 57.382 56.400 0.078 0.000 0.713 266 E CB -1.190 28.679 29.700 0.282 0.000 1.226 266 E HN 1.149 nan 8.360 nan 0.000 0.382 267 G N -0.320 108.542 108.800 0.103 0.000 2.184 267 G HA2 -0.372 3.587 3.960 -0.002 0.000 0.264 267 G HA3 -0.372 3.587 3.960 -0.002 0.000 0.264 267 G C 0.246 175.192 174.900 0.076 0.000 0.975 267 G CA 0.780 45.969 45.100 0.148 0.000 0.642 267 G HN 0.337 nan 8.290 nan 0.000 0.536 268 R N -0.473 120.114 120.500 0.145 0.000 2.808 268 R HA 0.725 5.064 4.340 -0.002 0.000 0.272 268 R C 0.082 176.515 176.300 0.221 0.000 0.995 268 R CA -0.059 56.133 56.100 0.153 0.000 0.917 268 R CB 1.895 32.324 30.300 0.215 0.000 1.217 268 R HN 0.460 nan 8.270 nan 0.000 0.471 269 S N 0.025 115.863 115.700 0.229 0.000 2.751 269 S HA 0.932 5.401 4.470 -0.002 0.000 0.310 269 S C -1.101 173.697 174.600 0.329 0.000 1.128 269 S CA -0.744 57.646 58.200 0.317 0.000 0.931 269 S CB 2.271 65.649 63.200 0.297 0.000 1.177 269 S HN 0.721 nan 8.310 nan 0.000 0.530 270 A N 0.399 123.306 122.820 0.146 0.000 2.540 270 A HA 0.645 4.964 4.320 -0.002 0.000 0.297 270 A C -1.161 176.161 177.584 -0.437 0.000 1.056 270 A CA -0.665 51.213 52.037 -0.266 0.000 0.700 270 A CB 1.256 19.856 19.000 -0.666 0.000 1.280 270 A HN 0.960 nan 8.150 nan 0.000 0.398 271 V N 1.951 121.505 119.914 -0.600 0.000 2.509 271 V HA 0.621 4.740 4.120 -0.002 0.000 0.284 271 V C -0.863 174.841 176.094 -0.650 0.000 1.047 271 V CA 0.084 62.126 62.300 -0.430 0.000 0.952 271 V CB 0.570 32.186 31.823 -0.344 0.000 0.988 271 V HN 0.639 nan 8.190 nan 0.000 0.469 272 F N 4.480 124.395 119.950 -0.059 0.000 2.547 272 F HA 0.612 5.138 4.527 -0.002 0.000 0.316 272 F C -0.342 175.417 175.800 -0.068 0.000 1.121 272 F CA -0.903 57.062 58.000 -0.059 0.000 0.911 272 F CB 1.656 40.625 39.000 -0.051 0.000 1.179 272 F HN 0.135 nan 8.300 nan 0.000 0.443 273 I N 3.143 123.768 120.570 0.092 0.000 2.355 273 I HA 0.241 4.410 4.170 -0.002 0.000 0.288 273 I C -0.114 176.020 176.117 0.029 0.000 0.999 273 I CA -0.741 60.581 61.300 0.036 0.000 1.163 273 I CB 0.883 38.896 38.000 0.022 0.000 1.316 273 I HN 0.617 nan 8.210 nan 0.000 0.454 274 D N 5.688 126.075 120.400 -0.021 0.000 2.751 274 D HA -0.193 4.446 4.640 -0.002 0.000 0.233 274 D C 1.308 177.607 176.300 -0.001 0.000 1.149 274 D CA 1.676 55.658 54.000 -0.030 0.000 0.682 274 D CB -0.756 40.041 40.800 -0.006 0.000 1.068 274 D HN 1.129 nan 8.370 nan 0.000 0.429 275 G N -0.312 108.493 108.800 0.008 0.000 2.254 275 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.225 275 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.225 275 G C 0.142 175.174 174.900 0.219 0.000 1.003 275 G CA 0.303 45.439 45.100 0.060 0.000 0.622 275 G HN 0.565 nan 8.290 nan 0.000 0.507 276 E N 0.910 121.225 120.200 0.191 0.000 2.200 276 E HA 0.537 4.886 4.350 -0.002 0.000 0.283 276 E C 0.539 177.246 176.600 0.178 0.000 1.015 276 E CA -0.841 55.666 56.400 0.179 0.000 0.819 276 E CB 0.518 30.268 29.700 0.085 0.000 1.081 276 E HN 0.371 nan 8.360 nan 0.000 0.397 277 R N 3.026 123.611 120.500 0.141 0.000 2.491 277 R HA 0.236 4.574 4.340 -0.002 0.000 0.283 277 R C -1.051 175.155 176.300 -0.157 0.000 1.072 277 R CA -0.318 55.679 56.100 -0.172 0.000 1.048 277 R CB 0.808 30.992 30.300 -0.193 0.000 0.983 277 R HN 0.313 nan 8.270 nan 0.000 0.450 278 V N 3.526 123.288 119.914 -0.252 0.000 2.581 278 V HA 0.174 4.293 4.120 -0.002 0.000 0.303 278 V C -0.261 175.717 176.094 -0.193 0.000 1.041 278 V CA -0.811 61.388 62.300 -0.170 0.000 0.907 278 V CB 1.726 33.455 31.823 -0.157 0.000 0.994 278 V HN 0.803 nan 8.190 nan 0.000 0.442 279 E N 2.662 122.787 120.200 -0.126 0.000 2.384 279 E HA 0.515 4.864 4.350 -0.002 0.000 0.266 279 E C -0.281 176.234 176.600 -0.143 0.000 1.012 279 E CA 0.313 56.647 56.400 -0.111 0.000 0.901 279 E CB 0.911 30.573 29.700 -0.064 0.000 0.967 279 E HN 0.940 nan 8.360 nan 0.000 0.435 280 A N 4.717 127.450 122.820 -0.144 0.000 2.549 280 A HA 0.563 4.882 4.320 -0.002 0.000 0.297 280 A C -2.647 174.894 177.584 -0.071 0.000 1.061 280 A CA -1.614 50.319 52.037 -0.172 0.000 0.690 280 A CB 1.041 19.797 19.000 -0.406 0.000 1.287 280 A HN 0.597 nan 8.150 nan 0.000 0.402 281 P HA 0.112 nan 4.420 nan 0.000 0.264 281 P C -0.302 176.991 177.300 -0.011 0.000 1.193 281 P CA 0.156 63.138 63.100 -0.197 0.000 0.763 281 P CB 0.334 31.658 31.700 -0.626 0.000 0.810 282 Q N 1.612 121.459 119.800 0.079 0.000 2.304 282 Q HA 0.292 4.630 4.340 -0.002 0.000 0.301 282 Q C 0.814 176.949 176.000 0.224 0.000 1.063 282 Q CA 1.392 57.292 55.803 0.161 0.000 0.947 282 Q CB -0.087 28.738 28.738 0.145 0.000 1.201 282 Q HN 0.793 nan 8.270 nan 0.000 0.389 283 G N 3.299 112.179 108.800 0.133 0.000 2.249 283 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.089 283 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.089 283 G C -1.271 173.529 174.900 -0.167 0.000 1.206 283 G CA -0.573 44.541 45.100 0.023 0.000 1.190 283 G HN 0.629 nan 8.290 nan 0.000 0.454 284 N N 0.197 118.691 118.700 -0.344 0.000 2.242 284 N HA 0.658 5.397 4.740 -0.002 0.000 0.292 284 N C -1.652 173.549 175.510 -0.515 0.000 1.125 284 N CA -0.382 52.451 53.050 -0.361 0.000 0.783 284 N CB 2.005 40.398 38.487 -0.156 0.000 1.558 284 N HN 0.618 nan 8.380 nan 0.000 0.472 285 H N -1.124 117.992 119.070 0.076 0.000 2.865 285 H HA 0.614 5.169 4.556 -0.002 0.000 0.372 285 H C 0.518 175.847 175.328 0.002 0.000 1.173 285 H CA -0.792 55.286 56.048 0.050 0.000 1.147 285 H CB 1.803 31.590 29.762 0.042 0.000 1.805 285 H HN 0.606 nan 8.280 nan 0.000 0.553 286 G N -0.176 108.664 108.800 0.067 0.000 3.019 286 G HA2 0.264 4.223 3.960 -0.002 0.000 0.152 286 G HA3 0.264 4.223 3.960 -0.002 0.000 0.152 286 G C -0.403 174.338 174.900 -0.265 0.000 1.320 286 G CA -1.018 44.037 45.100 -0.075 0.000 1.013 286 G HN 0.724 nan 8.290 nan 0.000 0.593 287 R N -1.287 118.881 120.500 -0.553 0.000 2.707 287 R HA 0.498 4.836 4.340 -0.002 0.000 0.270 287 R C -1.230 174.632 176.300 -0.730 0.000 1.083 287 R CA -0.262 55.123 56.100 -1.191 0.000 1.182 287 R CB 0.769 30.177 30.300 -1.485 0.000 1.084 287 R HN 0.179 nan 8.270 nan 0.000 0.528 288 V N 1.810 121.234 119.914 -0.817 0.000 2.709 288 V HA 0.491 4.610 4.120 -0.002 0.000 0.308 288 V C -0.153 175.941 176.094 0.001 0.000 1.062 288 V CA -0.670 61.504 62.300 -0.209 0.000 0.901 288 V CB 1.620 33.453 31.823 0.016 0.000 1.003 288 V HN 0.793 nan 8.190 nan 0.000 0.425 289 V N 2.520 122.480 119.914 0.076 0.000 3.160 289 V HA 0.800 4.918 4.120 -0.002 0.000 0.310 289 V C -1.552 174.698 176.094 0.260 0.000 1.181 289 V CA -1.104 61.334 62.300 0.229 0.000 1.047 289 V CB 2.289 34.185 31.823 0.122 0.000 1.068 289 V HN 0.637 nan 8.190 nan 0.000 0.441 290 L N 2.496 123.950 121.223 0.385 0.000 2.294 290 L HA 0.726 5.065 4.340 -0.002 0.000 0.283 290 L C -1.310 175.806 176.870 0.410 0.000 1.015 290 L CA -0.184 54.842 54.840 0.310 0.000 0.831 290 L CB 1.158 43.342 42.059 0.208 0.000 1.217 290 L HN 0.944 nan 8.230 nan 0.000 0.420 291 W N 6.086 127.457 121.300 0.120 0.000 2.600 291 W HA 0.495 5.154 4.660 -0.002 0.000 0.325 291 W C 0.600 177.161 176.519 0.070 0.000 1.034 291 W CA -1.019 56.385 57.345 0.097 0.000 1.226 291 W CB 0.900 30.404 29.460 0.073 0.000 1.379 291 W HN 0.619 nan 8.180 nan 0.000 0.466 292 R N 4.486 124.717 120.500 -0.448 0.000 3.387 292 R HA -0.201 4.138 4.340 -0.002 0.000 0.254 292 R C 1.262 177.412 176.300 -0.249 0.000 1.006 292 R CA 1.604 57.421 56.100 -0.473 0.000 0.677 292 R CB -1.337 28.432 30.300 -0.885 0.000 1.063 292 R HN 1.380 nan 8.270 nan 0.000 0.453 293 G N -1.253 107.490 108.800 -0.095 0.000 2.179 293 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.260 293 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.260 293 G C 0.054 174.944 174.900 -0.017 0.000 0.977 293 G CA 0.847 45.919 45.100 -0.045 0.000 0.641 293 G HN 0.412 nan 8.290 nan 0.000 0.533 294 K N -0.591 119.812 120.400 0.004 0.000 2.350 294 K HA 0.714 5.033 4.320 -0.002 0.000 0.241 294 K C 0.115 176.782 176.600 0.112 0.000 0.994 294 K CA -1.056 55.256 56.287 0.042 0.000 0.839 294 K CB 1.814 34.329 32.500 0.025 0.000 1.244 294 K HN 0.075 nan 8.250 nan 0.000 0.443 295 L N 2.021 123.295 121.223 0.085 0.000 2.331 295 L HA 0.335 4.674 4.340 -0.002 0.000 0.278 295 L C -0.542 176.387 176.870 0.099 0.000 1.106 295 L CA -0.610 54.283 54.840 0.089 0.000 0.824 295 L CB 0.903 42.984 42.059 0.037 0.000 1.142 295 L HN 0.237 nan 8.230 nan 0.000 0.443 296 V N 2.193 122.167 119.914 0.100 0.000 2.841 296 V HA 0.651 4.770 4.120 -0.002 0.000 0.310 296 V C -0.175 175.910 176.094 -0.014 0.000 1.090 296 V CA -0.429 61.906 62.300 0.059 0.000 0.930 296 V CB 2.250 34.124 31.823 0.085 0.000 1.014 296 V HN 0.853 nan 8.190 nan 0.000 0.425 297 T N 1.660 116.188 114.554 -0.043 0.000 2.787 297 T HA 0.629 4.978 4.350 -0.002 0.000 0.297 297 T C -0.661 174.021 174.700 -0.030 0.000 1.221 297 T CA 0.028 62.090 62.100 -0.063 0.000 1.006 297 T CB 2.006 70.840 68.868 -0.056 0.000 1.328 297 T HN 0.976 nan 8.240 nan 0.000 0.509 298 S N 1.135 116.830 115.700 -0.007 0.000 2.651 298 S HA 0.694 5.163 4.470 -0.002 0.000 0.291 298 S C -0.855 173.829 174.600 0.141 0.000 1.141 298 S CA -0.679 57.535 58.200 0.023 0.000 1.027 298 S CB 1.281 64.467 63.200 -0.022 0.000 1.043 298 S HN 0.893 nan 8.310 nan 0.000 0.530 299 H N -0.340 118.724 119.070 -0.009 0.000 2.974 299 H HA 0.539 5.094 4.556 -0.002 0.000 0.366 299 H C -1.783 173.503 175.328 -0.070 0.000 1.155 299 H CA -0.290 55.746 56.048 -0.020 0.000 1.186 299 H CB 2.208 31.995 29.762 0.042 0.000 1.799 299 H HN 0.787 nan 8.280 nan 0.000 0.541 300 T N 2.249 116.352 114.554 -0.752 0.000 2.900 300 T HA 0.538 4.886 4.350 -0.002 0.000 0.303 300 T C -1.293 173.061 174.700 -0.576 0.000 1.142 300 T CA -0.105 61.636 62.100 -0.597 0.000 1.007 300 T CB 1.335 70.057 68.868 -0.242 0.000 1.156 300 T HN 0.818 nan 8.240 nan 0.000 0.490 301 S N 2.600 118.129 115.700 -0.286 0.000 2.688 301 S HA 0.491 4.960 4.470 -0.002 0.000 0.275 301 S C 0.840 175.489 174.600 0.081 0.000 1.175 301 S CA -0.918 57.225 58.200 -0.095 0.000 0.818 301 S CB 0.541 63.727 63.200 -0.022 0.000 1.157 301 S HN 0.591 nan 8.310 nan 0.000 0.482 302 L N 1.502 122.749 121.223 0.039 0.000 2.261 302 L HA -0.026 4.313 4.340 -0.002 0.000 0.216 302 L C 2.289 179.267 176.870 0.180 0.000 1.114 302 L CA 1.590 56.462 54.840 0.055 0.000 0.777 302 L CB -0.361 41.700 42.059 0.003 0.000 0.910 302 L HN 0.911 nan 8.230 nan 0.000 0.440 303 S N -3.545 112.288 115.700 0.222 0.000 2.578 303 S HA 0.144 4.613 4.470 -0.002 0.000 0.231 303 S C 0.477 175.253 174.600 0.294 0.000 0.994 303 S CA -0.466 57.907 58.200 0.287 0.000 0.956 303 S CB 0.346 63.659 63.200 0.187 0.000 0.870 303 S HN 0.132 nan 8.310 nan 0.000 0.494 304 T N 4.123 118.807 114.554 0.216 0.000 2.949 304 T HA 0.506 4.855 4.350 -0.002 0.000 0.300 304 T C -3.131 171.355 174.700 -0.356 0.000 0.988 304 T CA -1.237 60.813 62.100 -0.084 0.000 0.993 304 T CB 1.943 70.751 68.868 -0.099 0.000 0.984 304 T HN -0.017 nan 8.240 nan 0.000 0.442 305 P HA 0.214 nan 4.420 nan 0.000 0.269 305 P C -2.562 174.416 177.300 -0.536 0.000 1.215 305 P CA -1.250 61.133 63.100 -1.194 0.000 0.780 305 P CB -0.378 30.558 31.700 -1.274 0.000 0.898 306 P HA -0.019 nan 4.420 nan 0.000 0.261 306 P C -0.239 176.999 177.300 -0.104 0.000 1.173 306 P CA 0.862 63.831 63.100 -0.219 0.000 0.760 306 P CB 0.230 31.821 31.700 -0.182 0.000 0.783 307 R N 2.244 122.722 120.500 -0.037 0.000 2.795 307 R HA 0.686 5.025 4.340 -0.002 0.000 0.268 307 R C -1.220 175.074 176.300 -0.009 0.000 1.041 307 R CA -1.034 55.086 56.100 0.033 0.000 0.927 307 R CB 0.924 31.223 30.300 -0.001 0.000 1.235 307 R HN 0.055 nan 8.270 nan 0.000 0.463 308 I N 2.186 122.683 120.570 -0.122 0.000 2.377 308 I HA 0.425 4.594 4.170 -0.002 0.000 0.293 308 I C 0.190 176.226 176.117 -0.134 0.000 0.987 308 I CA -0.935 60.263 61.300 -0.170 0.000 1.185 308 I CB 1.271 39.058 38.000 -0.355 0.000 1.341 308 I HN 0.603 nan 8.210 nan 0.000 0.455 309 V N 2.461 122.336 119.914 -0.066 0.000 2.789 309 V HA 0.687 4.806 4.120 -0.002 0.000 0.311 309 V C -0.076 176.005 176.094 -0.021 0.000 1.073 309 V CA -0.710 61.568 62.300 -0.038 0.000 0.921 309 V CB 1.797 33.609 31.823 -0.017 0.000 1.009 309 V HN 0.788 nan 8.190 nan 0.000 0.426 310 S N 4.571 120.277 115.700 0.009 0.000 2.523 310 S HA 0.651 5.120 4.470 -0.002 0.000 0.275 310 S C -0.380 174.226 174.600 0.009 0.000 1.281 310 S CA -0.556 57.673 58.200 0.048 0.000 1.050 310 S CB -0.011 63.243 63.200 0.090 0.000 0.937 310 S HN 0.734 nan 8.310 nan 0.000 0.492 311 L N 6.282 127.507 121.223 0.003 0.000 2.334 311 L HA 0.489 4.828 4.340 -0.002 0.000 0.275 311 L C -1.370 175.492 176.870 -0.012 0.000 1.036 311 L CA -1.939 52.884 54.840 -0.029 0.000 0.807 311 L CB 1.642 43.666 42.059 -0.059 0.000 1.231 311 L HN 0.585 nan 8.230 nan 0.000 0.438 312 P HA 0.027 nan 4.420 nan 0.000 0.261 312 P C 1.037 178.317 177.300 -0.034 0.000 1.268 312 P CA 0.167 63.242 63.100 -0.041 0.000 0.833 312 P CB 0.524 32.202 31.700 -0.037 0.000 1.231 313 S N -0.292 115.397 115.700 -0.020 0.000 2.402 313 S HA 0.080 4.548 4.470 -0.002 0.000 0.229 313 S C 1.912 176.498 174.600 -0.024 0.000 1.021 313 S CA 1.115 59.306 58.200 -0.014 0.000 0.974 313 S CB -1.607 61.592 63.200 -0.001 0.000 0.800 313 S HN 0.277 nan 8.310 nan 0.000 0.484 314 G N 0.704 109.483 108.800 -0.035 0.000 2.162 314 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.260 314 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.260 314 G C -0.095 174.787 174.900 -0.030 0.000 0.976 314 G CA 0.394 45.462 45.100 -0.053 0.000 0.655 314 G HN 0.768 nan 8.290 nan 0.000 0.533 315 E N 1.886 122.081 120.200 -0.008 0.000 2.414 315 E HA 0.403 4.752 4.350 -0.002 0.000 0.263 315 E C -1.737 174.861 176.600 -0.003 0.000 1.000 315 E CA -1.379 55.023 56.400 0.003 0.000 0.914 315 E CB 0.667 30.378 29.700 0.019 0.000 0.948 315 E HN 0.267 nan 8.360 nan 0.000 0.444 316 P HA 0.071 nan 4.420 nan 0.000 0.286 316 P C -0.099 177.159 177.300 -0.069 0.000 1.269 316 P CA 0.053 63.127 63.100 -0.043 0.000 0.787 316 P CB 1.061 32.739 31.700 -0.037 0.000 0.920 317 L N 2.305 123.435 121.223 -0.154 0.000 2.200 317 L HA 0.251 4.590 4.340 -0.002 0.000 0.200 317 L C 1.051 177.642 176.870 -0.465 0.000 1.072 317 L CA 0.790 55.481 54.840 -0.250 0.000 0.787 317 L CB -0.140 41.687 42.059 -0.385 0.000 0.957 317 L HN 0.277 nan 8.230 nan 0.000 0.459 318 L N 0.296 121.176 121.223 -0.573 0.000 2.410 318 L HA 0.481 4.820 4.340 -0.002 0.000 0.270 318 L C -1.008 175.571 176.870 -0.485 0.000 0.983 318 L CA -0.291 54.121 54.840 -0.714 0.000 0.822 318 L CB 2.560 43.875 42.059 -1.239 0.000 1.285 318 L HN 0.105 nan 8.230 nan 0.000 0.409 319 E N 2.131 122.183 120.200 -0.248 0.000 2.378 319 E HA 0.416 4.765 4.350 -0.002 0.000 0.283 319 E C -1.098 175.565 176.600 0.106 0.000 0.979 319 E CA -0.681 55.726 56.400 0.012 0.000 0.795 319 E CB 1.986 31.657 29.700 -0.049 0.000 1.221 319 E HN 0.639 nan 8.360 nan 0.000 0.428 320 G N 1.330 110.192 108.800 0.103 0.000 2.432 320 G HA2 0.468 4.427 3.960 -0.002 0.000 0.257 320 G HA3 0.468 4.427 3.960 -0.002 0.000 0.257 320 G C 0.244 175.122 174.900 -0.036 0.000 1.238 320 G CA -0.060 45.045 45.100 0.009 0.000 0.838 320 G HN 0.459 nan 8.290 nan 0.000 0.547 321 G N 0.635 109.420 108.800 -0.025 0.000 2.364 321 G HA2 0.461 4.420 3.960 -0.002 0.000 0.267 321 G HA3 0.461 4.420 3.960 -0.002 0.000 0.267 321 G C -0.125 174.758 174.900 -0.029 0.000 1.233 321 G CA -0.425 44.662 45.100 -0.023 0.000 0.885 321 G HN 0.543 nan 8.290 nan 0.000 0.490 322 L N 3.493 124.702 121.223 -0.023 0.000 2.334 322 L HA 0.379 4.718 4.340 -0.002 0.000 0.276 322 L C -1.810 175.065 176.870 0.008 0.000 1.014 322 L CA -1.861 52.975 54.840 -0.005 0.000 0.815 322 L CB 2.301 44.360 42.059 -0.000 0.000 1.268 322 L HN 0.371 nan 8.230 nan 0.000 0.428 323 P HA 0.034 nan 4.420 nan 0.000 0.273 323 P C 0.306 177.620 177.300 0.024 0.000 1.250 323 P CA -0.447 62.664 63.100 0.018 0.000 0.793 323 P CB 0.643 32.356 31.700 0.020 0.000 1.011 324 E N 0.407 120.620 120.200 0.022 0.000 2.072 324 E HA -0.206 4.143 4.350 -0.002 0.000 0.190 324 E C 0.639 177.257 176.600 0.029 0.000 0.982 324 E CA 1.146 57.560 56.400 0.024 0.000 0.803 324 E CB -0.343 29.369 29.700 0.020 0.000 0.755 324 E HN 0.289 nan 8.360 nan 0.000 0.453 325 D N 1.227 121.642 120.400 0.026 0.000 2.104 325 D HA -0.186 4.453 4.640 -0.002 0.000 0.194 325 D C 2.116 178.438 176.300 0.037 0.000 0.994 325 D CA 0.916 54.932 54.000 0.028 0.000 0.830 325 D CB -0.416 40.397 40.800 0.022 0.000 0.959 325 D HN 0.229 nan 8.370 nan 0.000 0.452 326 L N 0.967 122.215 121.223 0.041 0.000 2.083 326 L HA -0.107 4.232 4.340 -0.002 0.000 0.209 326 L C 2.269 179.182 176.870 0.071 0.000 1.083 326 L CA 1.450 56.324 54.840 0.056 0.000 0.752 326 L CB -0.496 41.598 42.059 0.058 0.000 0.899 326 L HN -0.182 nan 8.230 nan 0.000 0.433 327 R N 0.053 120.590 120.500 0.062 0.000 2.083 327 R HA -0.168 4.171 4.340 -0.002 0.000 0.237 327 R C 2.438 178.782 176.300 0.074 0.000 1.137 327 R CA 1.902 58.043 56.100 0.068 0.000 0.951 327 R CB -0.510 29.817 30.300 0.046 0.000 0.851 327 R HN 0.297 nan 8.270 nan 0.000 0.434 328 R N -0.047 120.489 120.500 0.060 0.000 2.189 328 R HA -0.027 4.312 4.340 -0.002 0.000 0.218 328 R C 2.159 178.499 176.300 0.066 0.000 1.074 328 R CA 1.224 57.360 56.100 0.060 0.000 0.991 328 R CB -0.108 30.219 30.300 0.046 0.000 0.883 328 R HN 0.488 nan 8.270 nan 0.000 0.457 329 S N 0.065 115.804 115.700 0.065 0.000 2.402 329 S HA -0.084 4.385 4.470 -0.002 0.000 0.229 329 S C 0.933 175.585 174.600 0.087 0.000 1.021 329 S CA 0.658 58.896 58.200 0.063 0.000 0.974 329 S CB -0.084 63.148 63.200 0.054 0.000 0.800 329 S HN 0.146 nan 8.310 nan 0.000 0.484 330 I N 2.250 122.884 120.570 0.106 0.000 2.241 330 I HA 0.343 4.512 4.170 -0.002 0.000 0.294 330 I C 0.948 177.141 176.117 0.128 0.000 1.145 330 I CA -0.158 61.218 61.300 0.127 0.000 1.261 330 I CB 0.689 38.787 38.000 0.163 0.000 1.475 330 I HN 0.307 nan 8.210 nan 0.000 0.533 331 A N 4.926 127.822 122.820 0.126 0.000 2.370 331 A HA 0.652 4.970 4.320 -0.002 0.000 0.238 331 A C 0.968 178.620 177.584 0.114 0.000 1.289 331 A CA 0.277 52.382 52.037 0.114 0.000 0.885 331 A CB -0.560 18.509 19.000 0.115 0.000 0.961 331 A HN 0.785 nan 8.150 nan 0.000 0.499 332 G N -0.904 107.971 108.800 0.125 0.000 2.697 332 G HA2 0.379 4.338 3.960 -0.002 0.000 0.684 332 G HA3 0.379 4.338 3.960 -0.002 0.000 0.684 332 G C -0.501 174.479 174.900 0.134 0.000 1.274 332 G CA -0.334 44.840 45.100 0.123 0.000 0.806 332 G HN 1.445 nan 8.290 nan 0.000 0.644 333 S N 0.760 116.548 115.700 0.145 0.000 2.566 333 S HA 0.950 5.419 4.470 -0.002 0.000 0.298 333 S C -0.012 174.696 174.600 0.180 0.000 1.083 333 S CA -0.243 58.061 58.200 0.173 0.000 0.978 333 S CB 2.500 65.816 63.200 0.194 0.000 1.073 333 S HN 1.590 nan 8.310 nan 0.000 0.491 334 R N 0.415 121.019 120.500 0.175 0.000 2.831 334 R HA 0.784 5.123 4.340 -0.002 0.000 0.266 334 R C -1.924 174.361 176.300 -0.025 0.000 1.051 334 R CA -1.124 55.047 56.100 0.119 0.000 0.943 334 R CB 0.842 31.192 30.300 0.084 0.000 1.228 334 R HN 0.571 nan 8.270 nan 0.000 0.467 335 L N 1.442 122.542 121.223 -0.205 0.000 2.322 335 L HA 0.617 4.956 4.340 -0.002 0.000 0.281 335 L C -0.938 175.667 176.870 -0.442 0.000 1.014 335 L CA -0.586 53.879 54.840 -0.624 0.000 0.815 335 L CB 1.940 43.573 42.059 -0.710 0.000 1.247 335 L HN 0.626 nan 8.230 nan 0.000 0.421 336 V N 1.114 120.659 119.914 -0.614 0.000 2.962 336 V HA 0.680 4.799 4.120 -0.002 0.000 0.313 336 V C -1.595 174.076 176.094 -0.706 0.000 1.099 336 V CA -0.801 61.187 62.300 -0.520 0.000 0.971 336 V CB 1.723 33.146 31.823 -0.666 0.000 1.028 336 V HN 0.830 nan 8.190 nan 0.000 0.430 337 W N 2.098 123.163 121.300 -0.391 0.000 2.329 337 W HA 0.732 5.391 4.660 -0.003 0.000 0.312 337 W C -0.432 175.879 176.519 -0.348 0.000 1.054 337 W CA -0.621 56.521 57.345 -0.338 0.000 1.245 337 W CB 1.902 31.215 29.460 -0.245 0.000 1.255 337 W HN 0.539 nan 8.180 nan 0.000 0.436 338 V N 3.272 123.071 119.914 -0.191 0.000 2.407 338 V HA 0.136 4.255 4.120 -0.002 0.000 0.278 338 V C 0.227 176.325 176.094 0.008 0.000 1.037 338 V CA -1.075 61.134 62.300 -0.152 0.000 0.900 338 V CB 1.282 32.999 31.823 -0.176 0.000 0.983 338 V HN 0.478 nan 8.190 nan 0.000 0.459 339 E N 3.494 123.724 120.200 0.050 0.000 2.257 339 E HA 0.301 4.650 4.350 -0.002 0.000 0.278 339 E C -0.046 176.614 176.600 0.102 0.000 1.049 339 E CA 0.007 56.447 56.400 0.066 0.000 0.876 339 E CB 0.845 30.582 29.700 0.061 0.000 1.035 339 E HN 0.717 nan 8.360 nan 0.000 0.419 340 S N 3.077 118.843 115.700 0.110 0.000 2.758 340 S HA 0.200 4.669 4.470 -0.002 0.000 0.292 340 S C 0.857 175.547 174.600 0.150 0.000 1.131 340 S CA -0.560 57.752 58.200 0.187 0.000 0.997 340 S CB 0.303 63.666 63.200 0.272 0.000 1.111 340 S HN 0.613 nan 8.310 nan 0.000 0.552 341 F N 1.307 121.308 119.950 0.084 0.000 2.184 341 F HA -0.083 4.443 4.527 -0.002 0.000 0.301 341 F C 1.357 177.193 175.800 0.061 0.000 1.076 341 F CA 1.752 59.790 58.000 0.063 0.000 1.295 341 F CB -0.300 38.731 39.000 0.053 0.000 1.026 341 F HN 0.545 nan 8.300 nan 0.000 0.494 342 D N -1.066 118.797 120.400 -0.896 0.000 2.462 342 D HA 0.231 4.870 4.640 -0.002 0.000 0.221 342 D C 1.710 177.833 176.300 -0.295 0.000 1.173 342 D CA 0.336 53.895 54.000 -0.736 0.000 0.831 342 D CB 0.069 40.228 40.800 -1.068 0.000 1.001 342 D HN 0.492 nan 8.370 nan 0.000 0.499 343 G N 0.074 108.773 108.800 -0.168 0.000 2.176 343 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.253 343 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.253 343 G C 0.345 175.212 174.900 -0.055 0.000 0.979 343 G CA 0.250 45.302 45.100 -0.080 0.000 0.641 343 G HN 0.413 nan 8.290 nan 0.000 0.530 344 S N 1.375 117.050 115.700 -0.042 0.000 2.565 344 S HA 0.553 5.022 4.470 -0.002 0.000 0.276 344 S C 0.585 175.184 174.600 -0.002 0.000 1.326 344 S CA -0.449 57.755 58.200 0.007 0.000 1.045 344 S CB 0.757 64.063 63.200 0.176 0.000 0.918 344 S HN 0.395 nan 8.310 nan 0.000 0.505 345 R N 2.165 122.622 120.500 -0.071 0.000 2.229 345 R HA 0.314 4.653 4.340 -0.002 0.000 0.328 345 R C -1.049 175.202 176.300 -0.082 0.000 1.009 345 R CA -0.443 55.659 56.100 0.002 0.000 0.864 345 R CB 0.527 30.874 30.300 0.078 0.000 1.085 345 R HN 0.339 nan 8.270 nan 0.000 0.453 346 V N 6.418 126.292 119.914 -0.066 0.000 2.353 346 V HA 0.180 4.299 4.120 -0.002 0.000 0.264 346 V C -1.842 174.007 176.094 -0.410 0.000 1.049 346 V CA -1.879 60.327 62.300 -0.156 0.000 0.896 346 V CB 1.153 33.023 31.823 0.079 0.000 1.025 346 V HN 0.545 nan 8.190 nan 0.000 0.475 347 P HA 0.210 nan 4.420 nan 0.000 0.271 347 P C -0.322 176.545 177.300 -0.721 0.000 1.226 347 P CA 0.145 62.493 63.100 -1.254 0.000 0.765 347 P CB 0.586 31.274 31.700 -1.688 0.000 0.835 348 T N 3.834 117.953 114.554 -0.724 0.000 2.949 348 T HA 0.299 4.648 4.350 -0.002 0.000 0.300 348 T C -0.660 173.764 174.700 -0.461 0.000 0.988 348 T CA -0.201 61.643 62.100 -0.427 0.000 0.993 348 T CB 0.202 68.836 68.868 -0.391 0.000 0.984 348 T HN 0.117 nan 8.240 nan 0.000 0.442 349 Y N 1.917 122.139 120.300 -0.130 0.000 2.319 349 Y HA 0.466 5.014 4.550 -0.002 0.000 0.328 349 Y C 0.409 176.307 175.900 -0.003 0.000 1.133 349 Y CA -0.299 57.764 58.100 -0.062 0.000 1.265 349 Y CB 0.844 39.295 38.460 -0.015 0.000 1.218 349 Y HN 0.294 nan 8.280 nan 0.000 0.508 350 V N 5.352 125.361 119.914 0.158 0.000 2.540 350 V HA 0.329 4.448 4.120 -0.002 0.000 0.302 350 V C -1.048 175.164 176.094 0.197 0.000 1.035 350 V CA -0.894 61.517 62.300 0.184 0.000 0.873 350 V CB 1.797 33.738 31.823 0.197 0.000 0.992 350 V HN 0.449 nan 8.190 nan 0.000 0.428 351 L N 4.471 125.808 121.223 0.190 0.000 2.316 351 L HA 0.586 4.925 4.340 -0.002 0.000 0.280 351 L C -0.002 176.992 176.870 0.206 0.000 1.006 351 L CA 0.143 55.086 54.840 0.172 0.000 0.836 351 L CB 1.297 43.437 42.059 0.135 0.000 1.221 351 L HN 0.694 nan 8.230 nan 0.000 0.418 352 E N 1.804 122.119 120.200 0.192 0.000 2.349 352 E HA 0.379 4.728 4.350 -0.002 0.000 0.265 352 E C -0.749 176.045 176.600 0.323 0.000 1.064 352 E CA -0.316 56.241 56.400 0.262 0.000 0.886 352 E CB 1.324 31.079 29.700 0.092 0.000 1.036 352 E HN 0.568 nan 8.360 nan 0.000 0.413 353 S N 0.651 116.650 115.700 0.498 0.000 2.451 353 S HA 0.377 4.845 4.470 -0.002 0.000 0.301 353 S C 0.833 175.529 174.600 0.159 0.000 1.116 353 S CA -0.476 57.845 58.200 0.202 0.000 1.093 353 S CB 1.262 64.475 63.200 0.021 0.000 1.017 353 S HN 0.641 nan 8.310 nan 0.000 0.482 354 G N 3.316 112.178 108.800 0.103 0.000 2.848 354 G HA2 0.022 3.980 3.960 -0.002 0.000 0.208 354 G HA3 0.022 3.980 3.960 -0.002 0.000 0.208 354 G C 0.883 175.802 174.900 0.032 0.000 1.152 354 G CA -0.070 45.075 45.100 0.075 0.000 0.789 354 G HN 0.738 nan 8.290 nan 0.000 0.531 355 R N -0.052 120.446 120.500 -0.005 0.000 2.609 355 R HA 0.518 4.857 4.340 -0.002 0.000 0.326 355 R C -0.006 176.218 176.300 -0.126 0.000 1.090 355 R CA -0.027 56.040 56.100 -0.055 0.000 1.072 355 R CB 0.823 31.087 30.300 -0.060 0.000 1.330 355 R HN 0.212 nan 8.270 nan 0.000 0.572 356 A N 1.682 124.425 122.820 -0.128 0.000 2.449 356 A HA 0.629 4.948 4.320 -0.002 0.000 0.302 356 A C -2.555 175.008 177.584 -0.035 0.000 1.048 356 A CA -1.640 50.268 52.037 -0.215 0.000 0.708 356 A CB 1.358 19.976 19.000 -0.636 0.000 1.274 356 A HN -0.076 nan 8.150 nan 0.000 0.410 357 P HA 0.441 nan 4.420 nan 0.000 0.275 357 P C -0.519 176.887 177.300 0.176 0.000 1.266 357 P CA -0.029 63.108 63.100 0.062 0.000 0.793 357 P CB 0.701 32.413 31.700 0.020 0.000 1.074 358 T N 1.748 116.380 114.554 0.129 0.000 2.864 358 T HA 0.402 4.751 4.350 -0.002 0.000 0.310 358 T C -2.227 172.497 174.700 0.040 0.000 1.040 358 T CA -0.876 61.287 62.100 0.104 0.000 0.977 358 T CB 0.539 69.431 68.868 0.040 0.000 0.976 358 T HN 0.386 nan 8.240 nan 0.000 0.459 359 P HA 0.720 nan 4.420 nan 0.000 0.277 359 P C -0.118 177.235 177.300 0.088 0.000 1.240 359 P CA -0.282 62.848 63.100 0.049 0.000 0.798 359 P CB 1.297 33.000 31.700 0.004 0.000 0.979 360 G N 0.349 109.237 108.800 0.146 0.000 2.550 360 G HA2 0.494 4.453 3.960 -0.002 0.000 0.293 360 G HA3 0.494 4.453 3.960 -0.002 0.000 0.293 360 G C -3.372 171.600 174.900 0.119 0.000 1.402 360 G CA -1.207 43.945 45.100 0.087 0.000 0.784 360 G HN 0.220 nan 8.290 nan 0.000 0.482 361 P HA 0.277 nan 4.420 nan 0.000 0.261 361 P C -0.427 177.081 177.300 0.346 0.000 1.183 361 P CA 0.611 63.846 63.100 0.225 0.000 0.761 361 P CB 0.766 32.484 31.700 0.030 0.000 0.785 362 T N 2.520 117.364 114.554 0.484 0.000 2.916 362 T HA 0.400 4.748 4.350 -0.002 0.000 0.298 362 T C -0.661 174.312 174.700 0.456 0.000 1.031 362 T CA -0.451 61.920 62.100 0.451 0.000 0.993 362 T CB 1.197 70.271 68.868 0.344 0.000 1.045 362 T HN -0.066 nan 8.240 nan 0.000 0.454 363 V N 3.187 123.308 119.914 0.345 0.000 2.417 363 V HA 0.412 4.531 4.120 -0.002 0.000 0.291 363 V C -0.069 176.132 176.094 0.178 0.000 1.024 363 V CA -0.783 61.643 62.300 0.210 0.000 0.861 363 V CB 1.887 33.705 31.823 -0.009 0.000 0.985 363 V HN 0.736 nan 8.190 nan 0.000 0.436 364 V N 6.440 126.439 119.914 0.142 0.000 2.353 364 V HA 0.253 4.372 4.120 -0.002 0.000 0.264 364 V C -0.112 175.989 176.094 0.011 0.000 1.049 364 V CA -0.257 62.116 62.300 0.122 0.000 0.896 364 V CB 1.128 33.067 31.823 0.192 0.000 1.025 364 V HN 0.610 nan 8.190 nan 0.000 0.475 365 L N 8.053 129.306 121.223 0.050 0.000 2.259 365 L HA 0.502 4.841 4.340 -0.002 0.000 0.288 365 L C -0.162 176.733 176.870 0.043 0.000 1.051 365 L CA 0.291 55.138 54.840 0.013 0.000 0.824 365 L CB 1.262 43.348 42.059 0.045 0.000 1.206 365 L HN 0.398 nan 8.230 nan 0.000 0.429 366 V N 4.964 124.875 119.914 -0.004 0.000 2.465 366 V HA 0.278 4.397 4.120 -0.002 0.000 0.279 366 V C -0.029 176.133 176.094 0.113 0.000 1.045 366 V CA -0.739 61.588 62.300 0.045 0.000 0.938 366 V CB 0.851 32.639 31.823 -0.058 0.000 0.986 366 V HN 0.921 nan 8.190 nan 0.000 0.467 367 H N 2.597 121.817 119.070 0.250 0.000 2.615 367 H HA 0.620 5.175 4.556 -0.002 0.000 0.363 367 H C 0.521 176.010 175.328 0.267 0.000 1.148 367 H CA 0.124 56.288 56.048 0.193 0.000 1.401 367 H CB 0.635 30.474 29.762 0.129 0.000 1.461 367 H HN 0.700 nan 8.280 nan 0.000 0.588 368 G N 0.142 109.190 108.800 0.415 0.000 2.553 368 G HA2 0.475 4.433 3.960 -0.002 0.000 0.278 368 G HA3 0.475 4.433 3.960 -0.002 0.000 0.278 368 G C 0.495 175.668 174.900 0.455 0.000 1.349 368 G CA -0.266 45.054 45.100 0.367 0.000 1.037 368 G HN 1.302 nan 8.290 nan 0.000 0.508 369 G N -0.939 108.041 108.800 0.300 0.000 1.674 369 G HA2 -0.097 3.862 3.960 -0.002 0.000 0.192 369 G HA3 -0.097 3.862 3.960 -0.002 0.000 0.192 369 G C -1.447 173.519 174.900 0.111 0.000 1.551 369 G CA 0.525 45.738 45.100 0.188 0.000 1.320 369 G HN 0.743 nan 8.290 nan 0.000 0.432 370 P HA 0.257 nan 4.420 nan 0.000 0.245 370 P C 0.202 177.373 177.300 -0.215 0.000 1.206 370 P CA 0.275 63.189 63.100 -0.311 0.000 0.781 370 P CB -0.186 30.938 31.700 -0.960 0.000 0.994 371 F N 1.350 121.369 119.950 0.115 0.000 2.661 371 F HA 0.475 5.001 4.527 -0.002 0.000 0.356 371 F C 1.195 177.003 175.800 0.014 0.000 1.244 371 F CA -0.433 57.604 58.000 0.062 0.000 1.290 371 F CB -0.164 38.885 39.000 0.082 0.000 1.677 371 F HN 0.022 nan 8.300 nan 0.000 0.649 372 A N 1.720 124.557 122.820 0.028 0.000 2.529 372 A HA 0.783 5.102 4.320 -0.002 0.000 0.296 372 A C -1.326 175.975 177.584 -0.472 0.000 1.205 372 A CA -0.775 51.167 52.037 -0.159 0.000 0.671 372 A CB 1.938 20.858 19.000 -0.133 0.000 1.301 372 A HN 0.413 nan 8.150 nan 0.000 0.450 373 E N 0.434 120.368 120.200 -0.444 0.000 2.304 373 E HA 0.418 4.767 4.350 -0.002 0.000 0.277 373 E C -1.915 174.571 176.600 -0.190 0.000 0.898 373 E CA -0.596 55.638 56.400 -0.276 0.000 0.764 373 E CB 1.675 31.337 29.700 -0.062 0.000 1.216 373 E HN 0.456 nan 8.360 nan 0.000 0.419 374 D N 2.881 123.256 120.400 -0.042 0.000 2.380 374 D HA 0.196 4.834 4.640 -0.002 0.000 0.230 374 D C -0.394 175.936 176.300 0.050 0.000 1.154 374 D CA 0.187 54.218 54.000 0.051 0.000 0.859 374 D CB 1.417 42.330 40.800 0.188 0.000 1.045 374 D HN 0.453 nan 8.370 nan 0.000 0.495 375 S N 1.288 116.921 115.700 -0.112 0.000 2.766 375 S HA 0.323 4.792 4.470 -0.002 0.000 0.307 375 S C -0.067 174.151 174.600 -0.638 0.000 1.121 375 S CA -0.902 57.114 58.200 -0.308 0.000 0.980 375 S CB 1.963 65.069 63.200 -0.156 0.000 1.159 375 S HN 0.123 nan 8.310 nan 0.000 0.546 376 D N 0.906 120.828 120.400 -0.796 0.000 2.558 376 D HA 0.493 5.132 4.640 -0.002 0.000 0.221 376 D C -0.870 175.274 176.300 -0.261 0.000 1.143 376 D CA 0.227 53.870 54.000 -0.596 0.000 1.010 376 D CB -0.648 39.891 40.800 -0.434 0.000 1.068 376 D HN 0.418 nan 8.370 nan 0.000 0.511 377 S N 1.721 117.303 115.700 -0.196 0.000 2.564 377 S HA 0.263 4.732 4.470 -0.002 0.000 0.274 377 S C -1.048 173.549 174.600 -0.005 0.000 1.124 377 S CA -0.920 57.225 58.200 -0.091 0.000 0.869 377 S CB 1.381 64.527 63.200 -0.090 0.000 1.105 377 S HN 0.404 nan 8.310 nan 0.000 0.472 378 W N 3.528 124.741 121.300 -0.146 0.000 2.264 378 W HA 0.147 4.806 4.660 -0.002 0.000 0.331 378 W C -0.930 175.544 176.519 -0.074 0.000 1.364 378 W CA 0.822 58.102 57.345 -0.109 0.000 1.253 378 W CB 0.365 29.749 29.460 -0.127 0.000 1.215 378 W HN 0.572 nan 8.180 nan 0.000 0.561 379 D N 4.743 124.723 120.400 -0.699 0.000 2.476 379 D HA 0.113 4.752 4.640 -0.002 0.000 0.251 379 D C 0.833 176.698 176.300 -0.724 0.000 1.291 379 D CA -0.305 53.403 54.000 -0.488 0.000 0.939 379 D CB 1.532 42.198 40.800 -0.223 0.000 1.221 379 D HN 0.305 nan 8.370 nan 0.000 0.567 380 T N 2.632 116.849 114.554 -0.563 0.000 2.720 380 T HA -0.133 4.216 4.350 -0.002 0.000 0.268 380 T C 1.693 176.148 174.700 -0.408 0.000 1.037 380 T CA 1.236 63.038 62.100 -0.496 0.000 1.144 380 T CB -0.235 68.408 68.868 -0.374 0.000 0.864 380 T HN 0.407 nan 8.240 nan 0.000 0.444 381 F N 1.742 121.562 119.950 -0.216 0.000 2.075 381 F HA -0.023 4.503 4.527 -0.003 0.000 0.297 381 F C 2.770 178.494 175.800 -0.126 0.000 1.113 381 F CA 0.996 58.919 58.000 -0.129 0.000 1.218 381 F CB -0.989 37.975 39.000 -0.060 0.000 0.984 381 F HN 0.114 nan 8.300 nan 0.000 0.472 382 A N 0.111 122.957 122.820 0.043 0.000 1.908 382 A HA -0.143 4.175 4.320 -0.002 0.000 0.218 382 A C 2.382 179.913 177.584 -0.089 0.000 1.181 382 A CA 2.031 54.057 52.037 -0.018 0.000 0.627 382 A CB -1.377 17.592 19.000 -0.051 0.000 0.818 382 A HN 0.345 nan 8.150 nan 0.000 0.445 383 A N -0.650 122.006 122.820 -0.273 0.000 1.898 383 A HA -0.038 4.281 4.320 -0.002 0.000 0.216 383 A C 2.430 179.963 177.584 -0.086 0.000 1.181 383 A CA 1.983 53.865 52.037 -0.258 0.000 0.620 383 A CB -0.859 17.781 19.000 -0.600 0.000 0.819 383 A HN 0.467 nan 8.150 nan 0.000 0.442 384 S N 0.053 115.696 115.700 -0.096 0.000 2.370 384 S HA -0.116 4.353 4.470 -0.002 0.000 0.226 384 S C 1.812 176.443 174.600 0.052 0.000 1.033 384 S CA 1.482 59.666 58.200 -0.027 0.000 1.011 384 S CB -0.464 62.690 63.200 -0.077 0.000 0.852 384 S HN 0.504 nan 8.310 nan 0.000 0.457 385 L N 0.994 122.260 121.223 0.071 0.000 2.056 385 L HA -0.116 4.223 4.340 -0.002 0.000 0.207 385 L C 2.808 179.816 176.870 0.230 0.000 1.078 385 L CA 1.179 56.117 54.840 0.164 0.000 0.749 385 L CB -0.681 41.441 42.059 0.106 0.000 0.901 385 L HN 0.336 nan 8.230 nan 0.000 0.433 386 A N -0.007 122.897 122.820 0.140 0.000 1.902 386 A HA -0.159 4.160 4.320 -0.002 0.000 0.217 386 A C 2.519 180.150 177.584 0.079 0.000 1.181 386 A CA 1.632 53.740 52.037 0.117 0.000 0.623 386 A CB -0.685 18.376 19.000 0.102 0.000 0.818 386 A HN 0.398 nan 8.150 nan 0.000 0.443 387 A N -0.343 122.521 122.820 0.074 0.000 1.972 387 A HA 0.193 4.512 4.320 -0.002 0.000 0.219 387 A C 2.209 179.821 177.584 0.046 0.000 1.169 387 A CA 1.847 53.919 52.037 0.059 0.000 0.635 387 A CB -0.694 18.342 19.000 0.060 0.000 0.810 387 A HN 1.120 nan 8.150 nan 0.000 0.446 388 A N -1.976 120.895 122.820 0.085 0.000 2.278 388 A HA 0.445 4.764 4.320 -0.002 0.000 0.212 388 A C 1.529 179.071 177.584 -0.070 0.000 1.213 388 A CA 1.052 53.135 52.037 0.077 0.000 0.840 388 A CB -0.801 18.326 19.000 0.211 0.000 0.866 388 A HN 1.868 nan 8.150 nan 0.000 0.489 389 G N -1.822 106.904 108.800 -0.123 0.000 2.134 389 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.209 389 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.209 389 G C -0.228 174.321 174.900 -0.584 0.000 0.993 389 G CA -0.146 44.748 45.100 -0.343 0.000 0.669 389 G HN 0.317 nan 8.290 nan 0.000 0.519 390 F N 1.967 121.862 119.950 -0.091 0.000 2.458 390 F HA 0.558 5.085 4.527 0.001 0.000 0.336 390 F C 0.939 176.712 175.800 -0.046 0.000 1.114 390 F CA -1.134 56.821 58.000 -0.074 0.000 0.987 390 F CB 1.067 40.068 39.000 0.002 0.000 1.130 390 F HN 0.044 nan 8.300 nan 0.000 0.458 391 H N 2.224 121.441 119.070 0.246 0.000 2.790 391 H HA 0.344 4.897 4.556 -0.004 0.000 0.358 391 H C -0.380 175.090 175.328 0.237 0.000 1.103 391 H CA -0.089 56.082 56.048 0.205 0.000 1.426 391 H CB 1.162 31.023 29.762 0.165 0.000 1.424 391 H HN 0.260 nan 8.280 nan 0.000 0.599 392 V N 3.617 123.726 119.914 0.326 0.000 2.487 392 V HA 0.220 4.339 4.120 -0.002 0.000 0.298 392 V C 0.016 176.251 176.094 0.235 0.000 1.028 392 V CA -0.782 61.663 62.300 0.242 0.000 0.860 392 V CB 2.022 33.952 31.823 0.178 0.000 0.991 392 V HN 0.431 nan 8.190 nan 0.000 0.427 393 V N 6.047 126.098 119.914 0.228 0.000 2.409 393 V HA 0.517 4.636 4.120 -0.002 0.000 0.291 393 V C -0.200 176.003 176.094 0.182 0.000 1.020 393 V CA -0.357 62.080 62.300 0.229 0.000 0.848 393 V CB 1.682 33.683 31.823 0.296 0.000 0.990 393 V HN 0.900 nan 8.190 nan 0.000 0.430 394 M N 8.272 127.970 119.600 0.163 0.000 2.016 394 M HA 0.373 4.852 4.480 -0.002 0.000 0.315 394 M C -2.831 173.567 176.300 0.163 0.000 0.930 394 M CA -1.388 54.014 55.300 0.169 0.000 0.899 394 M CB 2.134 34.842 32.600 0.181 0.000 1.401 394 M HN 0.356 nan 8.290 nan 0.000 0.386 395 P HA 0.199 nan 4.420 nan 0.000 0.296 395 P C -1.035 176.386 177.300 0.202 0.000 1.306 395 P CA -0.426 62.758 63.100 0.141 0.000 0.818 395 P CB 0.902 32.708 31.700 0.177 0.000 0.969 396 N N 3.375 122.144 118.700 0.115 0.000 3.178 396 N HA 0.042 4.781 4.740 -0.002 0.000 0.300 396 N C 0.313 175.981 175.510 0.263 0.000 1.242 396 N CA -0.083 53.057 53.050 0.151 0.000 1.192 396 N CB -0.545 37.987 38.487 0.074 0.000 1.463 396 N HN 0.480 nan 8.380 nan 0.000 0.539 397 Y N 0.072 120.530 120.300 0.263 0.000 2.709 397 Y HA -0.047 4.502 4.550 -0.002 0.000 0.348 397 Y C 1.108 177.025 175.900 0.027 0.000 1.267 397 Y CA -1.142 57.079 58.100 0.202 0.000 1.486 397 Y CB 0.290 38.781 38.460 0.052 0.000 1.356 397 Y HN 0.256 nan 8.280 nan 0.000 0.639 398 R N 1.361 121.711 120.500 -0.250 0.000 2.623 398 R HA 0.410 4.749 4.340 -0.002 0.000 0.271 398 R C 0.859 176.878 176.300 -0.467 0.000 1.043 398 R CA 0.344 55.684 56.100 -1.268 0.000 1.083 398 R CB 0.071 29.491 30.300 -1.467 0.000 0.974 398 R HN 1.362 nan 8.270 nan 0.000 0.436 399 G N 1.689 110.203 108.800 -0.476 0.000 2.279 399 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.223 399 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.223 399 G C -0.046 174.809 174.900 -0.074 0.000 1.015 399 G CA 0.096 45.091 45.100 -0.175 0.000 0.621 399 G HN 0.685 nan 8.290 nan 0.000 0.506 400 S N 1.606 117.222 115.700 -0.139 0.000 2.569 400 S HA 0.486 4.955 4.470 -0.002 0.000 0.274 400 S C 0.980 175.717 174.600 0.228 0.000 1.353 400 S CA 0.699 58.930 58.200 0.051 0.000 1.023 400 S CB 1.001 64.302 63.200 0.167 0.000 0.876 400 S HN 1.268 nan 8.310 nan 0.000 0.540 401 T N -1.578 113.087 114.554 0.186 0.000 2.849 401 T HA 0.662 5.011 4.350 -0.002 0.000 0.276 401 T C 1.187 176.016 174.700 0.214 0.000 0.971 401 T CA -0.134 62.085 62.100 0.199 0.000 0.949 401 T CB 0.909 69.848 68.868 0.119 0.000 1.093 401 T HN 1.283 nan 8.240 nan 0.000 0.545 402 G N -0.446 108.408 108.800 0.091 0.000 2.175 402 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.244 402 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.244 402 G C 0.106 174.700 174.900 -0.511 0.000 0.982 402 G CA 0.280 45.280 45.100 -0.166 0.000 0.641 402 G HN 0.797 nan 8.290 nan 0.000 0.527 403 Y N 0.621 121.005 120.300 0.139 0.000 2.721 403 Y HA 0.496 5.045 4.550 -0.002 0.000 0.251 403 Y C 1.197 177.177 175.900 0.133 0.000 1.136 403 Y CA 0.247 58.413 58.100 0.110 0.000 1.142 403 Y CB 1.093 39.576 38.460 0.038 0.000 1.212 403 Y HN 1.226 nan 8.280 nan 0.000 0.565 404 G N 0.487 109.407 108.800 0.200 0.000 2.629 404 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.686 404 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.686 404 G C 0.064 175.077 174.900 0.187 0.000 1.232 404 G CA -0.283 44.913 45.100 0.161 0.000 0.803 404 G HN 0.158 nan 8.290 nan 0.000 0.638 405 E N -0.168 120.105 120.200 0.121 0.000 2.106 405 E HA -0.066 4.283 4.350 -0.002 0.000 0.192 405 E C 2.164 178.840 176.600 0.127 0.000 0.984 405 E CA 2.044 58.503 56.400 0.098 0.000 0.806 405 E CB -0.089 29.638 29.700 0.045 0.000 0.750 405 E HN 0.670 nan 8.360 nan 0.000 0.458 406 E N -0.370 119.918 120.200 0.147 0.000 2.058 406 E HA -0.225 4.124 4.350 -0.002 0.000 0.194 406 E C 1.805 178.550 176.600 0.241 0.000 0.997 406 E CA 1.407 57.905 56.400 0.164 0.000 0.801 406 E CB -0.470 29.324 29.700 0.155 0.000 0.746 406 E HN 0.557 nan 8.360 nan 0.000 0.450 407 W N 1.531 122.890 121.300 0.099 0.000 2.425 407 W HA -0.122 4.537 4.660 -0.002 0.000 0.277 407 W C 2.192 178.793 176.519 0.137 0.000 1.231 407 W CA 1.044 58.459 57.345 0.117 0.000 1.248 407 W CB -0.048 29.496 29.460 0.140 0.000 1.117 407 W HN 0.089 nan 8.180 nan 0.000 0.568 408 R N 0.587 121.200 120.500 0.189 0.000 2.115 408 R HA -0.127 4.211 4.340 -0.002 0.000 0.226 408 R C 2.252 178.623 176.300 0.118 0.000 1.100 408 R CA 1.193 57.375 56.100 0.138 0.000 0.980 408 R CB -0.566 29.848 30.300 0.190 0.000 0.875 408 R HN 0.248 nan 8.270 nan 0.000 0.445 409 L N 0.328 121.595 121.223 0.074 0.000 2.395 409 L HA -0.014 4.325 4.340 -0.002 0.000 0.218 409 L C 2.032 178.910 176.870 0.013 0.000 1.130 409 L CA 0.751 55.621 54.840 0.050 0.000 0.826 409 L CB -0.175 41.902 42.059 0.030 0.000 0.941 409 L HN 0.108 nan 8.230 nan 0.000 0.451 410 K N 0.432 120.814 120.400 -0.030 0.000 2.281 410 K HA -0.190 4.128 4.320 -0.002 0.000 0.203 410 K C 1.994 178.560 176.600 -0.056 0.000 1.046 410 K CA 1.235 57.492 56.287 -0.050 0.000 0.938 410 K CB -0.121 32.316 32.500 -0.106 0.000 0.737 410 K HN 0.288 nan 8.250 nan 0.000 0.458 411 I N 1.095 121.621 120.570 -0.073 0.000 2.546 411 I HA -0.118 4.051 4.170 -0.002 0.000 0.255 411 I C 0.179 176.268 176.117 -0.048 0.000 1.163 411 I CA 0.308 61.573 61.300 -0.059 0.000 1.457 411 I CB 0.299 38.235 38.000 -0.107 0.000 1.092 411 I HN -0.001 nan 8.210 nan 0.000 0.434 412 I N 2.769 123.322 120.570 -0.028 0.000 2.671 412 I HA -0.000 4.169 4.170 -0.002 0.000 0.285 412 I C 1.388 177.469 176.117 -0.060 0.000 1.148 412 I CA 1.220 62.490 61.300 -0.050 0.000 1.386 412 I CB -0.960 37.022 38.000 -0.030 0.000 1.406 412 I HN 0.522 nan 8.210 nan 0.000 0.540 413 G N 5.401 114.145 108.800 -0.094 0.000 2.132 413 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.234 413 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.234 413 G C 0.140 175.009 174.900 -0.053 0.000 0.989 413 G CA 0.230 45.280 45.100 -0.083 0.000 0.676 413 G HN 0.654 nan 8.290 nan 0.000 0.522 414 D N -0.056 120.321 120.400 -0.040 0.000 3.256 414 D HA 0.279 4.917 4.640 -0.002 0.000 0.332 414 D C -2.338 173.986 176.300 0.041 0.000 1.327 414 D CA -0.737 53.263 54.000 -0.001 0.000 0.735 414 D CB 1.158 41.963 40.800 0.009 0.000 1.280 414 D HN 0.267 nan 8.370 nan 0.000 0.572 415 P HA 0.116 nan 4.420 nan 0.000 0.275 415 P C 0.405 177.864 177.300 0.265 0.000 1.227 415 P CA -0.066 63.185 63.100 0.252 0.000 0.781 415 P CB 1.429 33.288 31.700 0.264 0.000 0.906 416 C N 2.262 121.711 119.300 0.249 0.000 4.350 416 C HA -0.095 4.364 4.460 -0.002 0.000 0.302 416 C C 1.274 176.263 174.990 -0.003 0.000 1.390 416 C CA 1.095 60.141 59.018 0.046 0.000 2.016 416 C CB -2.207 25.554 27.740 0.035 0.000 1.271 416 C HN 0.855 nan 8.230 nan 0.000 0.760 417 G N -0.326 108.468 108.800 -0.009 0.000 2.890 417 G HA2 0.507 4.466 3.960 -0.002 0.000 0.199 417 G HA3 0.507 4.466 3.960 -0.002 0.000 0.199 417 G C 1.176 175.993 174.900 -0.139 0.000 1.729 417 G CA 0.699 45.754 45.100 -0.075 0.000 0.767 417 G HN 1.038 nan 8.290 nan 0.000 0.804 418 G N 0.894 109.646 108.800 -0.079 0.000 2.418 418 G HA2 -0.124 3.835 3.960 -0.002 0.000 0.217 418 G HA3 -0.124 3.835 3.960 -0.002 0.000 0.217 418 G C 1.554 176.480 174.900 0.044 0.000 1.158 418 G CA 1.785 46.876 45.100 -0.015 0.000 0.771 418 G HN 0.573 nan 8.290 nan 0.000 0.545 419 E N 0.828 121.047 120.200 0.031 0.000 2.110 419 E HA -0.145 4.204 4.350 -0.002 0.000 0.193 419 E C 2.418 179.011 176.600 -0.011 0.000 0.988 419 E CA 1.118 57.550 56.400 0.053 0.000 0.804 419 E CB -0.697 29.048 29.700 0.074 0.000 0.745 419 E HN 0.365 nan 8.360 nan 0.000 0.458 420 L N 1.656 122.841 121.223 -0.063 0.000 2.046 420 L HA -0.120 4.218 4.340 -0.002 0.000 0.208 420 L C 2.242 179.086 176.870 -0.044 0.000 1.077 420 L CA 1.849 56.636 54.840 -0.089 0.000 0.747 420 L CB -0.438 41.548 42.059 -0.121 0.000 0.896 420 L HN -0.061 nan 8.230 nan 0.000 0.432 421 E N 0.017 120.169 120.200 -0.080 0.000 2.110 421 E HA -0.204 4.144 4.350 -0.002 0.000 0.193 421 E C 1.861 178.538 176.600 0.128 0.000 0.988 421 E CA 1.310 57.683 56.400 -0.046 0.000 0.804 421 E CB -0.398 29.128 29.700 -0.290 0.000 0.745 421 E HN 0.596 nan 8.360 nan 0.000 0.458 422 D N 0.501 121.015 120.400 0.190 0.000 2.084 422 D HA -0.119 4.520 4.640 -0.002 0.000 0.194 422 D C 2.202 178.622 176.300 0.200 0.000 0.990 422 D CA 0.896 55.050 54.000 0.256 0.000 0.826 422 D CB -0.408 40.593 40.800 0.335 0.000 0.971 422 D HN 0.014 nan 8.370 nan 0.000 0.453 423 V N 1.093 121.096 119.914 0.149 0.000 2.332 423 V HA -0.243 3.876 4.120 -0.002 0.000 0.248 423 V C 2.522 178.725 176.094 0.181 0.000 1.055 423 V CA 1.854 64.240 62.300 0.143 0.000 1.038 423 V CB -0.582 31.266 31.823 0.041 0.000 0.651 423 V HN 0.135 nan 8.190 nan 0.000 0.450 424 S N 0.139 115.919 115.700 0.133 0.000 2.368 424 S HA -0.138 4.331 4.470 -0.002 0.000 0.224 424 S C 2.266 176.923 174.600 0.095 0.000 1.029 424 S CA 1.290 59.545 58.200 0.092 0.000 0.988 424 S CB -0.548 62.666 63.200 0.023 0.000 0.838 424 S HN 0.658 nan 8.310 nan 0.000 0.462 425 A N 1.770 124.670 122.820 0.133 0.000 1.917 425 A HA -0.053 4.266 4.320 -0.002 0.000 0.219 425 A C 2.354 180.056 177.584 0.197 0.000 1.182 425 A CA 1.933 54.066 52.037 0.159 0.000 0.633 425 A CB -1.127 17.984 19.000 0.184 0.000 0.819 425 A HN 0.541 nan 8.150 nan 0.000 0.448 426 A N -0.457 122.486 122.820 0.204 0.000 1.930 426 A HA 0.228 4.547 4.320 -0.002 0.000 0.217 426 A C 2.490 180.272 177.584 0.331 0.000 1.175 426 A CA 1.908 54.100 52.037 0.258 0.000 0.627 426 A CB -0.961 18.159 19.000 0.201 0.000 0.815 426 A HN 1.051 nan 8.150 nan 0.000 0.443 427 A N 0.133 123.100 122.820 0.245 0.000 1.851 427 A HA -0.203 4.115 4.320 -0.002 0.000 0.216 427 A C 2.229 179.871 177.584 0.097 0.000 1.195 427 A CA 1.758 53.899 52.037 0.173 0.000 0.622 427 A CB -0.545 18.445 19.000 -0.016 0.000 0.831 427 A HN 0.521 nan 8.150 nan 0.000 0.444 428 R N -2.098 118.443 120.500 0.068 0.000 2.091 428 R HA -0.221 4.118 4.340 -0.002 0.000 0.238 428 R C 2.009 178.361 176.300 0.086 0.000 1.136 428 R CA 1.781 57.906 56.100 0.041 0.000 0.959 428 R CB -0.438 29.888 30.300 0.043 0.000 0.856 428 R HN 0.829 nan 8.270 nan 0.000 0.437 429 W N 1.147 122.460 121.300 0.021 0.000 2.363 429 W HA -0.147 4.515 4.660 0.003 0.000 0.296 429 W C 2.089 178.624 176.519 0.025 0.000 1.212 429 W CA 1.431 58.792 57.345 0.026 0.000 1.260 429 W CB -0.269 29.211 29.460 0.034 0.000 1.131 429 W HN 0.089 nan 8.180 nan 0.000 0.530 430 A N 0.932 123.729 122.820 -0.039 0.000 1.892 430 A HA -0.248 4.071 4.320 -0.002 0.000 0.218 430 A C 2.070 179.443 177.584 -0.351 0.000 1.188 430 A CA 2.218 54.077 52.037 -0.297 0.000 0.631 430 A CB -1.006 18.041 19.000 0.077 0.000 0.822 430 A HN 0.452 nan 8.150 nan 0.000 0.447 431 R N -0.405 119.980 120.500 -0.192 0.000 2.057 431 R HA -0.100 4.239 4.340 -0.002 0.000 0.229 431 R C 2.146 178.321 176.300 -0.208 0.000 1.136 431 R CA 1.641 57.645 56.100 -0.160 0.000 0.952 431 R CB -0.304 29.935 30.300 -0.101 0.000 0.848 431 R HN 0.663 nan 8.270 nan 0.000 0.430 432 E N -0.037 120.035 120.200 -0.212 0.000 2.153 432 E HA -0.162 4.187 4.350 -0.002 0.000 0.194 432 E C 1.809 178.255 176.600 -0.256 0.000 0.988 432 E CA 1.580 57.872 56.400 -0.181 0.000 0.811 432 E CB 0.014 29.652 29.700 -0.103 0.000 0.746 432 E HN 0.459 nan 8.360 nan 0.000 0.466 433 S N -0.732 114.672 115.700 -0.494 0.000 2.481 433 S HA 0.055 4.524 4.470 -0.002 0.000 0.231 433 S C 1.657 176.073 174.600 -0.307 0.000 0.996 433 S CA 0.505 58.428 58.200 -0.462 0.000 0.942 433 S CB 0.293 62.984 63.200 -0.848 0.000 0.768 433 S HN 0.390 nan 8.310 nan 0.000 0.520 434 G N 0.504 109.133 108.800 -0.284 0.000 2.131 434 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.223 434 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.223 434 G C 0.345 175.146 174.900 -0.165 0.000 0.990 434 G CA 0.300 45.295 45.100 -0.174 0.000 0.671 434 G HN 0.500 nan 8.290 nan 0.000 0.521 435 L N 0.857 121.927 121.223 -0.254 0.000 2.007 435 L HA 0.676 5.015 4.340 -0.002 0.000 0.205 435 L C 1.975 178.827 176.870 -0.031 0.000 1.073 435 L CA 2.624 57.344 54.840 -0.199 0.000 0.744 435 L CB -0.578 41.306 42.059 -0.291 0.000 0.898 435 L HN 0.878 nan 8.230 nan 0.000 0.435 436 A N -1.502 121.292 122.820 -0.043 0.000 2.309 436 A HA 0.484 4.803 4.320 -0.002 0.000 0.298 436 A C 1.017 178.612 177.584 0.019 0.000 1.165 436 A CA 0.243 52.310 52.037 0.051 0.000 0.821 436 A CB 0.515 19.541 19.000 0.045 0.000 1.102 436 A HN 0.501 nan 8.150 nan 0.000 0.500 437 S N 1.521 117.251 115.700 0.050 0.000 2.502 437 S HA 0.190 4.659 4.470 -0.002 0.000 0.228 437 S C 0.320 174.922 174.600 0.003 0.000 1.061 437 S CA 0.250 58.460 58.200 0.017 0.000 0.935 437 S CB -0.114 63.101 63.200 0.025 0.000 0.809 437 S HN 0.747 nan 8.310 nan 0.000 0.510 438 E N 0.299 120.514 120.200 0.026 0.000 2.312 438 E HA 0.699 5.048 4.350 -0.002 0.000 0.267 438 E C -1.702 174.842 176.600 -0.092 0.000 0.894 438 E CA -0.686 55.674 56.400 -0.066 0.000 0.773 438 E CB 2.266 31.939 29.700 -0.045 0.000 1.241 438 E HN 0.144 nan 8.360 nan 0.000 0.432 439 L N 2.396 123.473 121.223 -0.243 0.000 2.365 439 L HA 0.548 4.887 4.340 -0.002 0.000 0.273 439 L C -1.347 175.419 176.870 -0.173 0.000 1.000 439 L CA -0.748 54.065 54.840 -0.045 0.000 0.819 439 L CB 0.852 42.935 42.059 0.040 0.000 1.284 439 L HN 0.549 nan 8.230 nan 0.000 0.418 440 Y N 2.819 123.310 120.300 0.317 0.000 2.570 440 Y HA 0.612 5.160 4.550 -0.003 0.000 0.345 440 Y C -0.341 175.440 175.900 -0.198 0.000 1.014 440 Y CA -0.735 57.440 58.100 0.126 0.000 1.063 440 Y CB 2.294 40.762 38.460 0.013 0.000 1.272 440 Y HN 0.347 nan 8.280 nan 0.000 0.477 441 I N 3.463 123.791 120.570 -0.404 0.000 2.603 441 I HA 0.657 4.826 4.170 -0.002 0.000 0.300 441 I C -1.254 174.667 176.117 -0.326 0.000 1.017 441 I CA -1.016 59.884 61.300 -0.667 0.000 1.098 441 I CB 1.622 38.827 38.000 -1.325 0.000 1.279 441 I HN 0.832 nan 8.210 nan 0.000 0.437 442 M N 6.604 126.033 119.600 -0.286 0.000 2.365 442 M HA 0.650 5.129 4.480 -0.002 0.000 0.288 442 M C -1.692 174.433 176.300 -0.291 0.000 1.152 442 M CA -0.220 54.914 55.300 -0.276 0.000 0.948 442 M CB 2.097 34.572 32.600 -0.208 0.000 1.729 442 M HN 0.706 nan 8.290 nan 0.000 0.487 443 G N 2.420 110.969 108.800 -0.419 0.000 2.601 443 G HA2 0.634 4.593 3.960 -0.002 0.000 0.291 443 G HA3 0.634 4.593 3.960 -0.002 0.000 0.291 443 G C -2.674 171.877 174.900 -0.581 0.000 1.456 443 G CA -0.475 44.414 45.100 -0.351 0.000 0.804 443 G HN 0.655 nan 8.290 nan 0.000 0.499 444 Y N 0.112 120.304 120.300 -0.179 0.000 2.598 444 Y HA 0.731 5.280 4.550 -0.002 0.000 0.340 444 Y C 1.223 177.084 175.900 -0.065 0.000 1.038 444 Y CA 0.479 58.490 58.100 -0.147 0.000 1.100 444 Y CB 2.141 40.473 38.460 -0.214 0.000 1.281 444 Y HN 1.200 nan 8.280 nan 0.000 0.488 445 S N 0.422 116.178 115.700 0.094 0.000 4.059 445 S HA -0.431 4.038 4.470 -0.002 0.000 0.624 445 S C 1.002 175.670 174.600 0.113 0.000 2.019 445 S CA 1.603 59.855 58.200 0.086 0.000 4.197 445 S CB -1.542 61.726 63.200 0.114 0.000 0.215 445 S HN 0.859 nan 8.310 nan 0.000 0.609 446 Y N 2.293 122.644 120.300 0.085 0.000 2.403 446 Y HA 0.106 4.655 4.550 -0.002 0.000 0.291 446 Y C 2.324 178.270 175.900 0.076 0.000 1.143 446 Y CA 2.280 60.452 58.100 0.119 0.000 1.257 446 Y CB -0.943 37.619 38.460 0.170 0.000 0.984 446 Y HN 0.569 nan 8.280 nan 0.000 0.550 447 G N -0.899 107.974 108.800 0.121 0.000 2.422 447 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.218 447 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.218 447 G C 1.908 176.716 174.900 -0.153 0.000 1.140 447 G CA 0.712 45.790 45.100 -0.036 0.000 0.775 447 G HN 0.546 nan 8.290 nan 0.000 0.545 448 G N -0.079 108.640 108.800 -0.135 0.000 2.404 448 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.215 448 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.215 448 G C 1.610 176.409 174.900 -0.168 0.000 1.174 448 G CA 1.033 46.023 45.100 -0.184 0.000 0.780 448 G HN 0.386 nan 8.290 nan 0.000 0.537 449 Y N 0.895 121.006 120.300 -0.316 0.000 2.151 449 Y HA -0.182 4.367 4.550 -0.002 0.000 0.284 449 Y C 2.805 178.473 175.900 -0.386 0.000 1.166 449 Y CA 1.854 59.712 58.100 -0.404 0.000 1.163 449 Y CB -0.089 38.008 38.460 -0.604 0.000 0.974 449 Y HN 0.075 nan 8.280 nan 0.000 0.511 450 M N -0.780 118.575 119.600 -0.408 0.000 2.159 450 M HA -0.211 4.267 4.480 -0.002 0.000 0.263 450 M C 2.114 178.203 176.300 -0.352 0.000 1.063 450 M CA 1.957 56.996 55.300 -0.434 0.000 1.110 450 M CB -1.410 30.977 32.600 -0.356 0.000 1.374 450 M HN 0.258 nan 8.290 nan 0.000 0.411 451 T N 1.414 115.783 114.554 -0.308 0.000 2.708 451 T HA -0.082 4.267 4.350 -0.002 0.000 0.266 451 T C 1.989 176.544 174.700 -0.242 0.000 1.037 451 T CA 1.010 62.942 62.100 -0.281 0.000 1.146 451 T CB -0.172 68.529 68.868 -0.278 0.000 0.865 451 T HN 0.303 nan 8.240 nan 0.000 0.435 452 L N 0.266 121.329 121.223 -0.267 0.000 2.046 452 L HA -0.113 4.226 4.340 -0.002 0.000 0.208 452 L C 2.866 179.583 176.870 -0.256 0.000 1.077 452 L CA 1.009 55.706 54.840 -0.238 0.000 0.747 452 L CB -0.660 41.258 42.059 -0.235 0.000 0.896 452 L HN 0.410 nan 8.230 nan 0.000 0.432 453 C N -0.344 118.723 119.300 -0.388 0.000 2.446 453 C HA -0.093 4.366 4.460 -0.002 0.000 0.277 453 C C 3.120 177.992 174.990 -0.197 0.000 1.275 453 C CA 0.695 59.501 59.018 -0.352 0.000 1.727 453 C CB -0.917 26.502 27.740 -0.534 0.000 2.010 453 C HN 0.609 nan 8.230 nan 0.000 0.486 454 A N 0.047 122.773 122.820 -0.156 0.000 1.898 454 A HA -0.059 4.260 4.320 -0.002 0.000 0.216 454 A C 1.878 179.476 177.584 0.024 0.000 1.181 454 A CA 1.383 53.412 52.037 -0.013 0.000 0.620 454 A CB -0.516 18.548 19.000 0.107 0.000 0.819 454 A HN 0.447 nan 8.150 nan 0.000 0.442 455 L N 0.332 121.548 121.223 -0.012 0.000 2.275 455 L HA -0.078 4.261 4.340 -0.002 0.000 0.215 455 L C 2.699 179.560 176.870 -0.016 0.000 1.119 455 L CA 2.229 57.075 54.840 0.011 0.000 0.790 455 L CB -0.656 41.399 42.059 -0.006 0.000 0.919 455 L HN 0.697 nan 8.230 nan 0.000 0.443 456 T N -5.724 108.801 114.554 -0.048 0.000 2.988 456 T HA -0.005 4.344 4.350 -0.002 0.000 0.240 456 T C 1.701 176.355 174.700 -0.076 0.000 1.014 456 T CA 0.145 62.219 62.100 -0.042 0.000 1.155 456 T CB -0.128 68.730 68.868 -0.017 0.000 0.872 456 T HN -0.048 nan 8.240 nan 0.000 0.440 457 M N 1.301 120.837 119.600 -0.106 0.000 2.492 457 M HA 0.290 4.769 4.480 -0.002 0.000 0.262 457 M C 0.565 176.806 176.300 -0.098 0.000 1.090 457 M CA 0.979 56.198 55.300 -0.136 0.000 1.110 457 M CB -0.858 31.652 32.600 -0.150 0.000 1.407 457 M HN 0.309 nan 8.290 nan 0.000 0.470 458 K N 0.632 120.994 120.400 -0.064 0.000 3.207 458 K HA 0.270 4.589 4.320 -0.002 0.000 0.166 458 K C -2.553 174.029 176.600 -0.031 0.000 1.079 458 K CA -1.101 55.153 56.287 -0.054 0.000 0.818 458 K CB 1.482 33.949 32.500 -0.056 0.000 0.967 458 K HN 0.014 nan 8.250 nan 0.000 0.594 459 P HA 0.040 nan 4.420 nan 0.000 0.272 459 P C 0.809 178.088 177.300 -0.035 0.000 1.223 459 P CA 0.851 63.944 63.100 -0.012 0.000 0.784 459 P CB 1.152 32.845 31.700 -0.012 0.000 0.923 460 G N 0.861 109.643 108.800 -0.030 0.000 2.241 460 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.244 460 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.244 460 G C 0.569 175.403 174.900 -0.111 0.000 0.998 460 G CA 0.335 45.401 45.100 -0.056 0.000 0.621 460 G HN 0.569 nan 8.290 nan 0.000 0.519 461 L N 0.027 121.151 121.223 -0.164 0.000 2.068 461 L HA 0.572 4.911 4.340 -0.002 0.000 0.204 461 L C 0.951 177.511 176.870 -0.516 0.000 1.076 461 L CA 1.221 55.836 54.840 -0.374 0.000 0.753 461 L CB -0.308 41.450 42.059 -0.501 0.000 0.910 461 L HN 0.227 nan 8.230 nan 0.000 0.439 462 F N -0.624 119.291 119.950 -0.059 0.000 2.458 462 F HA 0.298 4.824 4.527 -0.002 0.000 0.330 462 F C 1.431 177.179 175.800 -0.088 0.000 1.082 462 F CA -0.546 57.405 58.000 -0.082 0.000 0.995 462 F CB 1.300 40.278 39.000 -0.038 0.000 1.170 462 F HN -0.206 nan 8.300 nan 0.000 0.478 463 K N 1.567 121.980 120.400 0.022 0.000 2.243 463 K HA 0.410 4.728 4.320 -0.002 0.000 0.201 463 K C -0.026 176.663 176.600 0.147 0.000 1.051 463 K CA 0.828 57.105 56.287 -0.017 0.000 0.970 463 K CB 0.272 32.639 32.500 -0.221 0.000 0.755 463 K HN 0.740 nan 8.250 nan 0.000 0.465 464 A N -0.675 122.311 122.820 0.275 0.000 2.586 464 A HA 0.642 4.961 4.320 -0.002 0.000 0.290 464 A C -1.068 176.716 177.584 0.332 0.000 1.086 464 A CA -0.465 51.793 52.037 0.368 0.000 0.665 464 A CB 1.379 20.646 19.000 0.445 0.000 1.279 464 A HN 0.201 nan 8.150 nan 0.000 0.423 465 G N -0.974 107.991 108.800 0.275 0.000 2.659 465 G HA2 0.626 4.585 3.960 -0.002 0.000 0.296 465 G HA3 0.626 4.585 3.960 -0.002 0.000 0.296 465 G C -1.773 173.081 174.900 -0.077 0.000 1.369 465 G CA -0.479 44.652 45.100 0.052 0.000 0.937 465 G HN 1.215 nan 8.290 nan 0.000 0.485 466 V N 0.749 120.551 119.914 -0.187 0.000 2.378 466 V HA 0.704 4.823 4.120 -0.002 0.000 0.288 466 V C 0.189 176.073 176.094 -0.349 0.000 1.016 466 V CA -0.658 61.455 62.300 -0.312 0.000 0.840 466 V CB 1.327 32.979 31.823 -0.286 0.000 0.994 466 V HN 1.168 nan 8.190 nan 0.000 0.431 467 A N 3.968 126.601 122.820 -0.313 0.000 2.328 467 A HA 0.815 5.134 4.320 -0.002 0.000 0.318 467 A C 0.277 177.712 177.584 -0.249 0.000 1.347 467 A CA -0.159 51.709 52.037 -0.283 0.000 0.842 467 A CB 0.771 19.651 19.000 -0.200 0.000 1.148 467 A HN 0.973 nan 8.150 nan 0.000 0.499 468 G N 0.642 109.211 108.800 -0.385 0.000 2.388 468 G HA2 0.633 4.592 3.960 -0.002 0.000 0.330 468 G HA3 0.633 4.592 3.960 -0.002 0.000 0.330 468 G C 0.772 175.656 174.900 -0.027 0.000 1.142 468 G CA 0.059 45.054 45.100 -0.175 0.000 0.908 468 G HN 2.234 nan 8.290 nan 0.000 0.473 469 A N 0.717 123.517 122.820 -0.033 0.000 2.798 469 A HA -0.132 4.187 4.320 -0.002 0.000 0.282 469 A C 1.380 178.914 177.584 -0.083 0.000 1.464 469 A CA 1.236 53.154 52.037 -0.198 0.000 0.844 469 A CB -2.225 16.722 19.000 -0.088 0.000 1.006 469 A HN 2.378 nan 8.150 nan 0.000 0.577 470 S N -1.101 114.609 115.700 0.018 0.000 2.579 470 S HA 0.516 4.985 4.470 -0.002 0.000 0.275 470 S C 0.288 174.887 174.600 -0.003 0.000 1.345 470 S CA -0.126 58.072 58.200 -0.003 0.000 1.031 470 S CB 1.387 64.565 63.200 -0.036 0.000 0.892 470 S HN 1.278 nan 8.310 nan 0.000 0.529 471 V N 3.247 123.090 119.914 -0.118 0.000 2.607 471 V HA 0.253 4.372 4.120 -0.002 0.000 0.289 471 V C 0.831 176.787 176.094 -0.230 0.000 1.053 471 V CA -0.303 61.808 62.300 -0.314 0.000 0.996 471 V CB 1.235 32.539 31.823 -0.865 0.000 0.995 471 V HN 0.946 nan 8.190 nan 0.000 0.476 472 V N 1.498 121.251 119.914 -0.269 0.000 3.029 472 V HA 0.285 4.404 4.120 -0.002 0.000 0.230 472 V C -0.075 175.896 176.094 -0.205 0.000 1.254 472 V CA 0.450 62.638 62.300 -0.188 0.000 1.276 472 V CB 0.678 32.408 31.823 -0.154 0.000 1.080 472 V HN 0.903 nan 8.190 nan 0.000 0.495 473 D N -1.607 118.661 120.400 -0.219 0.000 2.686 473 D HA 0.196 4.835 4.640 -0.002 0.000 0.249 473 D C 0.042 176.276 176.300 -0.111 0.000 1.260 473 D CA -0.616 53.298 54.000 -0.144 0.000 0.910 473 D CB 1.209 41.966 40.800 -0.072 0.000 1.323 473 D HN 0.151 nan 8.370 nan 0.000 0.561 474 W N 2.362 123.653 121.300 -0.015 0.000 2.363 474 W HA -0.048 4.611 4.660 -0.002 0.000 0.296 474 W C 2.180 178.672 176.519 -0.046 0.000 1.212 474 W CA 0.678 57.995 57.345 -0.047 0.000 1.260 474 W CB 0.167 29.600 29.460 -0.045 0.000 1.131 474 W HN 0.566 nan 8.180 nan 0.000 0.530 475 E N 0.920 121.238 120.200 0.197 0.000 2.017 475 E HA -0.295 4.054 4.350 -0.002 0.000 0.193 475 E C 2.054 178.693 176.600 0.064 0.000 0.997 475 E CA 1.822 58.283 56.400 0.101 0.000 0.804 475 E CB -0.285 29.455 29.700 0.066 0.000 0.757 475 E HN 0.302 nan 8.360 nan 0.000 0.448 476 E N -0.062 120.163 120.200 0.042 0.000 2.077 476 E HA -0.236 4.113 4.350 -0.002 0.000 0.193 476 E C 2.147 178.768 176.600 0.035 0.000 0.989 476 E CA 1.236 57.651 56.400 0.024 0.000 0.800 476 E CB -0.125 29.576 29.700 0.000 0.000 0.746 476 E HN 0.335 nan 8.360 nan 0.000 0.452 477 M N -0.411 119.214 119.600 0.043 0.000 2.213 477 M HA -0.224 4.255 4.480 -0.002 0.000 0.263 477 M C 2.444 178.775 176.300 0.052 0.000 1.062 477 M CA 2.093 57.427 55.300 0.057 0.000 1.105 477 M CB -0.339 32.291 32.600 0.050 0.000 1.385 477 M HN 0.397 nan 8.290 nan 0.000 0.417 478 Y N -0.354 119.970 120.300 0.039 0.000 2.036 478 Y HA -0.258 4.291 4.550 -0.002 0.000 0.273 478 Y C 2.436 178.358 175.900 0.035 0.000 1.135 478 Y CA 2.894 61.002 58.100 0.014 0.000 1.106 478 Y CB -1.852 36.616 38.460 0.014 0.000 0.976 478 Y HN 0.551 nan 8.280 nan 0.000 0.483 479 E N 1.030 121.251 120.200 0.035 0.000 2.219 479 E HA -0.063 4.286 4.350 -0.002 0.000 0.198 479 E C 1.580 178.206 176.600 0.043 0.000 0.998 479 E CA 1.888 58.309 56.400 0.034 0.000 0.818 479 E CB -1.049 28.667 29.700 0.026 0.000 0.741 479 E HN 1.288 nan 8.360 nan 0.000 0.477 480 L N -2.253 119.002 121.223 0.054 0.000 2.984 480 L HA 0.585 4.924 4.340 -0.002 0.000 0.246 480 L C 0.291 177.220 176.870 0.099 0.000 1.268 480 L CA -0.418 54.461 54.840 0.064 0.000 1.054 480 L CB 0.671 42.761 42.059 0.053 0.000 1.393 480 L HN -0.049 nan 8.230 nan 0.000 0.532 481 S N -0.156 115.612 115.700 0.114 0.000 2.648 481 S HA 0.528 4.996 4.470 -0.002 0.000 0.305 481 S C -0.731 173.961 174.600 0.152 0.000 1.094 481 S CA -0.638 57.673 58.200 0.186 0.000 0.983 481 S CB 1.552 64.895 63.200 0.238 0.000 1.101 481 S HN 0.638 nan 8.310 nan 0.000 0.514 482 D N 0.400 120.913 120.400 0.188 0.000 2.354 482 D HA 0.563 5.202 4.640 -0.002 0.000 0.247 482 D C 1.139 177.527 176.300 0.145 0.000 1.138 482 D CA -0.411 53.671 54.000 0.137 0.000 0.958 482 D CB 0.544 41.413 40.800 0.116 0.000 1.144 482 D HN 0.394 nan 8.370 nan 0.000 0.458 483 A N 1.410 124.294 122.820 0.107 0.000 1.903 483 A HA -0.165 4.154 4.320 -0.002 0.000 0.219 483 A C 2.209 179.869 177.584 0.126 0.000 1.191 483 A CA 2.641 54.736 52.037 0.097 0.000 0.638 483 A CB -1.528 17.517 19.000 0.074 0.000 0.823 483 A HN 0.751 nan 8.150 nan 0.000 0.451 484 A N -1.795 121.113 122.820 0.147 0.000 1.898 484 A HA -0.009 4.310 4.320 -0.002 0.000 0.216 484 A C 2.161 179.906 177.584 0.267 0.000 1.181 484 A CA 1.395 53.535 52.037 0.173 0.000 0.620 484 A CB -0.668 18.419 19.000 0.145 0.000 0.819 484 A HN 0.670 nan 8.150 nan 0.000 0.442 485 F N -0.128 119.872 119.950 0.082 0.000 2.186 485 F HA -0.127 4.399 4.527 -0.002 0.000 0.299 485 F C 2.565 178.464 175.800 0.165 0.000 1.090 485 F CA 1.174 59.231 58.000 0.094 0.000 1.307 485 F CB -0.031 38.985 39.000 0.027 0.000 1.019 485 F HN 0.121 nan 8.300 nan 0.000 0.489 486 R N 0.737 121.299 120.500 0.103 0.000 2.083 486 R HA -0.240 4.099 4.340 -0.002 0.000 0.237 486 R C 2.196 178.511 176.300 0.024 0.000 1.137 486 R CA 1.636 57.733 56.100 -0.005 0.000 0.951 486 R CB -0.913 29.405 30.300 0.030 0.000 0.851 486 R HN 0.402 nan 8.270 nan 0.000 0.434 487 N N 0.343 119.095 118.700 0.087 0.000 2.018 487 N HA -0.255 4.484 4.740 -0.002 0.000 0.196 487 N C 1.831 177.399 175.510 0.096 0.000 1.043 487 N CA 1.866 54.964 53.050 0.080 0.000 0.856 487 N CB -0.383 38.165 38.487 0.102 0.000 1.042 487 N HN 0.157 nan 8.380 nan 0.000 0.423 488 F N 1.743 121.709 119.950 0.027 0.000 2.085 488 F HA -0.236 4.289 4.527 -0.002 0.000 0.299 488 F C 2.345 178.099 175.800 -0.077 0.000 1.096 488 F CA 1.632 59.657 58.000 0.042 0.000 1.227 488 F CB -0.297 38.816 39.000 0.189 0.000 0.983 488 F HN 0.079 nan 8.300 nan 0.000 0.482 489 I N 0.370 121.007 120.570 0.111 0.000 2.286 489 I HA -0.239 3.930 4.170 -0.002 0.000 0.248 489 I C 2.802 178.795 176.117 -0.207 0.000 1.115 489 I CA 1.535 62.781 61.300 -0.091 0.000 1.392 489 I CB -1.225 36.690 38.000 -0.142 0.000 1.065 489 I HN 0.393 nan 8.210 nan 0.000 0.418 490 E N 0.831 120.951 120.200 -0.134 0.000 2.107 490 E HA -0.214 4.135 4.350 -0.002 0.000 0.191 490 E C 1.995 178.500 176.600 -0.159 0.000 0.982 490 E CA 1.038 57.359 56.400 -0.131 0.000 0.809 490 E CB -0.652 29.005 29.700 -0.072 0.000 0.756 490 E HN 0.609 nan 8.360 nan 0.000 0.459 491 Q N -0.778 118.919 119.800 -0.172 0.000 1.967 491 Q HA -0.085 4.254 4.340 -0.002 0.000 0.202 491 Q C 2.445 178.299 176.000 -0.243 0.000 0.985 491 Q CA 1.480 57.171 55.803 -0.186 0.000 0.839 491 Q CB -0.363 28.256 28.738 -0.198 0.000 0.906 491 Q HN 0.477 nan 8.270 nan 0.000 0.423 492 L N 1.263 122.266 121.223 -0.367 0.000 2.189 492 L HA -0.146 4.192 4.340 -0.002 0.000 0.214 492 L C 2.065 178.711 176.870 -0.372 0.000 1.097 492 L CA 2.202 56.803 54.840 -0.398 0.000 0.764 492 L CB -0.467 41.265 42.059 -0.544 0.000 0.900 492 L HN 0.369 nan 8.230 nan 0.000 0.436 493 T N -4.925 109.403 114.554 -0.377 0.000 3.134 493 T HA 0.423 4.771 4.350 -0.002 0.000 0.260 493 T C 1.405 175.984 174.700 -0.201 0.000 1.027 493 T CA 0.190 62.081 62.100 -0.348 0.000 0.913 493 T CB 0.112 68.718 68.868 -0.435 0.000 1.046 493 T HN 0.509 nan 8.240 nan 0.000 0.553 494 G N 1.224 109.927 108.800 -0.162 0.000 2.257 494 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.267 494 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.267 494 G C 1.027 175.875 174.900 -0.087 0.000 0.984 494 G CA 0.364 45.401 45.100 -0.105 0.000 0.626 494 G HN 1.962 nan 8.290 nan 0.000 0.540 495 G N -1.392 107.348 108.800 -0.100 0.000 2.303 495 G HA2 0.310 4.269 3.960 -0.002 0.000 0.260 495 G HA3 0.310 4.269 3.960 -0.002 0.000 0.260 495 G C 0.205 175.072 174.900 -0.055 0.000 1.106 495 G CA 1.277 46.333 45.100 -0.074 0.000 0.900 495 G HN 2.536 nan 8.290 nan 0.000 0.495 496 S N -2.430 113.234 115.700 -0.061 0.000 2.547 496 S HA 0.842 5.311 4.470 -0.002 0.000 0.281 496 S C 1.069 175.650 174.600 -0.031 0.000 1.118 496 S CA 0.557 58.734 58.200 -0.039 0.000 0.947 496 S CB 1.985 65.164 63.200 -0.034 0.000 1.053 496 S HN 1.699 nan 8.310 nan 0.000 0.482 497 R N 1.560 122.052 120.500 -0.014 0.000 2.090 497 R HA 0.183 4.522 4.340 -0.002 0.000 0.228 497 R C 2.433 178.738 176.300 0.009 0.000 1.110 497 R CA 2.269 58.369 56.100 0.000 0.000 0.973 497 R CB -2.202 28.100 30.300 0.003 0.000 0.869 497 R HN 1.117 nan 8.270 nan 0.000 0.440 498 E N 0.214 120.417 120.200 0.006 0.000 2.118 498 E HA 0.040 4.389 4.350 -0.002 0.000 0.195 498 E C 2.384 178.997 176.600 0.023 0.000 0.992 498 E CA 2.381 58.790 56.400 0.015 0.000 0.804 498 E CB -1.123 28.583 29.700 0.010 0.000 0.741 498 E HN 0.975 nan 8.360 nan 0.000 0.458 499 I N -0.144 120.429 120.570 0.004 0.000 2.277 499 I HA 0.156 4.325 4.170 -0.002 0.000 0.243 499 I C 2.819 178.948 176.117 0.019 0.000 1.094 499 I CA 1.887 63.187 61.300 -0.001 0.000 1.393 499 I CB -0.842 37.128 38.000 -0.050 0.000 1.078 499 I HN 0.455 nan 8.210 nan 0.000 0.417 500 M N 0.668 120.269 119.600 0.002 0.000 2.149 500 M HA -0.171 4.308 4.480 -0.002 0.000 0.261 500 M C 2.766 179.178 176.300 0.187 0.000 1.064 500 M CA 2.640 57.993 55.300 0.089 0.000 1.102 500 M CB -0.488 32.150 32.600 0.064 0.000 1.369 500 M HN 0.641 nan 8.290 nan 0.000 0.408 501 R N 0.193 120.754 120.500 0.101 0.000 2.062 501 R HA -0.022 4.317 4.340 -0.002 0.000 0.226 501 R C 2.071 178.411 176.300 0.066 0.000 1.125 501 R CA 1.774 57.915 56.100 0.068 0.000 0.966 501 R CB -1.791 28.524 30.300 0.026 0.000 0.861 501 R HN 0.624 nan 8.270 nan 0.000 0.433 502 S N -0.016 115.742 115.700 0.096 0.000 2.522 502 S HA -0.003 4.466 4.470 -0.002 0.000 0.227 502 S C 1.439 176.181 174.600 0.237 0.000 0.986 502 S CA 0.596 58.885 58.200 0.150 0.000 0.929 502 S CB 0.097 63.374 63.200 0.129 0.000 0.769 502 S HN 0.556 nan 8.310 nan 0.000 0.529 503 R N 1.091 121.734 120.500 0.240 0.000 2.509 503 R HA 0.368 4.707 4.340 -0.002 0.000 0.300 503 R C -0.451 176.100 176.300 0.419 0.000 0.985 503 R CA -0.020 56.268 56.100 0.313 0.000 1.092 503 R CB 0.316 30.806 30.300 0.317 0.000 1.237 503 R HN 0.264 nan 8.270 nan 0.000 0.546 504 S N 3.164 119.043 115.700 0.299 0.000 2.465 504 S HA 0.202 4.671 4.470 -0.002 0.000 0.279 504 S C -1.720 172.899 174.600 0.031 0.000 1.201 504 S CA -1.087 57.205 58.200 0.153 0.000 1.053 504 S CB 1.641 64.882 63.200 0.069 0.000 0.953 504 S HN 0.025 nan 8.310 nan 0.000 0.488 505 P HA 0.071 nan 4.420 nan 0.000 0.237 505 P C 1.162 178.415 177.300 -0.078 0.000 1.178 505 P CA 0.204 63.281 63.100 -0.039 0.000 0.766 505 P CB 0.068 31.690 31.700 -0.130 0.000 0.876 506 I N 0.130 120.635 120.570 -0.107 0.000 2.361 506 I HA -0.200 3.969 4.170 -0.002 0.000 0.251 506 I C 1.278 177.312 176.117 -0.139 0.000 1.133 506 I CA 1.236 62.463 61.300 -0.121 0.000 1.413 506 I CB -0.078 37.851 38.000 -0.118 0.000 1.073 506 I HN -0.089 nan 8.210 nan 0.000 0.424 507 N N -0.114 118.461 118.700 -0.209 0.000 2.521 507 N HA -0.077 4.661 4.740 -0.002 0.000 0.188 507 N C 0.587 175.833 175.510 -0.441 0.000 1.146 507 N CA 0.748 53.602 53.050 -0.326 0.000 0.893 507 N CB -0.085 38.161 38.487 -0.400 0.000 0.975 507 N HN 0.493 nan 8.380 nan 0.000 0.451 508 H N -0.821 118.223 119.070 -0.044 0.000 2.662 508 H HA 0.244 4.799 4.556 -0.002 0.000 0.268 508 H C 1.525 176.822 175.328 -0.051 0.000 1.152 508 H CA -0.241 55.780 56.048 -0.044 0.000 1.072 508 H CB 0.377 30.111 29.762 -0.048 0.000 1.660 508 H HN -0.099 nan 8.280 nan 0.000 0.584 509 V N 0.500 120.423 119.914 0.014 0.000 2.660 509 V HA -0.218 3.900 4.120 -0.002 0.000 0.257 509 V C 2.056 178.150 176.094 0.000 0.000 1.088 509 V CA 1.735 64.024 62.300 -0.017 0.000 1.106 509 V CB -0.062 31.726 31.823 -0.059 0.000 0.686 509 V HN 0.394 nan 8.190 nan 0.000 0.481 510 D N 0.095 120.505 120.400 0.018 0.000 2.219 510 D HA -0.107 4.532 4.640 -0.002 0.000 0.205 510 D C 2.262 178.571 176.300 0.016 0.000 0.970 510 D CA 0.908 54.918 54.000 0.017 0.000 0.851 510 D CB -0.030 40.783 40.800 0.022 0.000 0.943 510 D HN 0.440 nan 8.370 nan 0.000 0.488 511 R N 0.011 120.522 120.500 0.019 0.000 2.313 511 R HA 0.161 4.499 4.340 -0.002 0.000 0.199 511 R C 0.677 176.978 176.300 0.001 0.000 0.958 511 R CA -0.110 55.992 56.100 0.003 0.000 1.047 511 R CB 0.380 30.671 30.300 -0.015 0.000 0.955 511 R HN 0.162 nan 8.270 nan 0.000 0.481 512 I N 1.769 122.343 120.570 0.007 0.000 2.598 512 I HA -0.070 4.099 4.170 -0.002 0.000 0.284 512 I C 1.232 177.363 176.117 0.023 0.000 1.140 512 I CA 0.703 62.011 61.300 0.012 0.000 1.420 512 I CB 0.716 38.722 38.000 0.010 0.000 1.387 512 I HN -0.076 nan 8.210 nan 0.000 0.553 513 K N 4.961 125.379 120.400 0.029 0.000 2.438 513 K HA 0.257 4.576 4.320 -0.002 0.000 0.206 513 K C -0.391 176.240 176.600 0.051 0.000 1.081 513 K CA 0.054 56.361 56.287 0.033 0.000 1.053 513 K CB 0.863 33.374 32.500 0.019 0.000 0.908 513 K HN 0.570 nan 8.250 nan 0.000 0.556 514 E N 0.770 121.011 120.200 0.069 0.000 2.299 514 E HA 0.333 4.682 4.350 -0.002 0.000 0.265 514 E C -2.786 173.896 176.600 0.138 0.000 0.911 514 E CA -2.207 54.252 56.400 0.099 0.000 0.789 514 E CB 1.229 30.995 29.700 0.110 0.000 1.246 514 E HN -0.191 nan 8.360 nan 0.000 0.427 515 P HA 0.118 nan 4.420 nan 0.000 0.271 515 P C -1.266 176.247 177.300 0.356 0.000 1.220 515 P CA -0.404 62.859 63.100 0.271 0.000 0.768 515 P CB 0.385 32.254 31.700 0.282 0.000 0.848 516 L N 3.047 124.427 121.223 0.263 0.000 2.346 516 L HA 0.762 5.101 4.340 -0.002 0.000 0.276 516 L C -0.886 175.915 176.870 -0.115 0.000 1.006 516 L CA -0.886 54.001 54.840 0.078 0.000 0.817 516 L CB 1.520 43.600 42.059 0.035 0.000 1.272 516 L HN 0.416 nan 8.230 nan 0.000 0.421 517 A N 6.164 128.685 122.820 -0.499 0.000 2.291 517 A HA 0.710 5.029 4.320 -0.002 0.000 0.311 517 A C -1.188 176.231 177.584 -0.274 0.000 1.224 517 A CA -0.480 51.200 52.037 -0.595 0.000 0.821 517 A CB 0.324 18.535 19.000 -1.314 0.000 1.172 517 A HN 0.700 nan 8.150 nan 0.000 0.494 518 L N 3.464 124.626 121.223 -0.102 0.000 2.282 518 L HA 0.538 4.877 4.340 -0.002 0.000 0.288 518 L C -0.635 176.263 176.870 0.047 0.000 1.033 518 L CA -0.197 54.612 54.840 -0.051 0.000 0.807 518 L CB 1.263 43.290 42.059 -0.053 0.000 1.209 518 L HN 0.573 nan 8.230 nan 0.000 0.423 519 I N 2.430 123.040 120.570 0.066 0.000 2.433 519 I HA 0.445 4.613 4.170 -0.002 0.000 0.292 519 I C -0.746 175.485 176.117 0.189 0.000 1.001 519 I CA -0.434 60.958 61.300 0.154 0.000 1.119 519 I CB 1.738 39.830 38.000 0.154 0.000 1.289 519 I HN 0.559 nan 8.210 nan 0.000 0.438 520 H N 6.177 125.284 119.070 0.063 0.000 3.038 520 H HA 0.431 4.986 4.556 -0.002 0.000 0.362 520 H C -2.811 172.536 175.328 0.033 0.000 1.167 520 H CA -1.172 54.896 56.048 0.034 0.000 1.197 520 H CB 2.977 32.740 29.762 0.002 0.000 1.840 520 H HN 0.236 nan 8.280 nan 0.000 0.540 521 P HA 0.030 nan 4.420 nan 0.000 0.277 521 P C -0.102 177.250 177.300 0.087 0.000 1.240 521 P CA -0.292 62.805 63.100 -0.005 0.000 0.798 521 P CB 1.572 33.223 31.700 -0.082 0.000 0.979 522 Q N 2.787 122.626 119.800 0.064 0.000 2.302 522 Q HA -0.056 4.283 4.340 -0.002 0.000 0.202 522 Q C 0.236 176.265 176.000 0.049 0.000 0.936 522 Q CA 1.581 57.425 55.803 0.068 0.000 0.886 522 Q CB -0.255 28.512 28.738 0.048 0.000 0.986 522 Q HN 0.560 nan 8.270 nan 0.000 0.487 523 N N -0.259 118.457 118.700 0.026 0.000 2.588 523 N HA 0.281 5.019 4.740 -0.002 0.000 0.298 523 N C -1.404 174.102 175.510 -0.007 0.000 1.718 523 N CA 0.006 53.063 53.050 0.012 0.000 0.888 523 N CB 0.342 38.833 38.487 0.008 0.000 1.389 523 N HN 0.124 nan 8.380 nan 0.000 0.491 524 A N 0.211 123.021 122.820 -0.016 0.000 2.260 524 A HA 0.523 4.842 4.320 -0.002 0.000 0.314 524 A C 1.206 178.768 177.584 -0.036 0.000 1.257 524 A CA -0.304 51.705 52.037 -0.046 0.000 0.871 524 A CB 0.715 19.664 19.000 -0.085 0.000 1.166 524 A HN 0.411 nan 8.150 nan 0.000 0.522 525 S N 2.429 118.104 115.700 -0.043 0.000 2.447 525 S HA -0.096 4.373 4.470 -0.002 0.000 0.233 525 S C 1.400 175.974 174.600 -0.042 0.000 1.006 525 S CA 1.045 59.231 58.200 -0.023 0.000 0.957 525 S CB -0.145 63.044 63.200 -0.018 0.000 0.773 525 S HN 0.725 nan 8.310 nan 0.000 0.507 526 R N 0.484 120.896 120.500 -0.146 0.000 2.362 526 R HA 0.227 4.566 4.340 -0.002 0.000 0.227 526 R C -0.398 175.803 176.300 -0.165 0.000 0.905 526 R CA 0.372 56.291 56.100 -0.303 0.000 1.067 526 R CB 0.526 30.429 30.300 -0.661 0.000 1.078 526 R HN 0.296 nan 8.270 nan 0.000 0.516 527 T N 2.143 116.651 114.554 -0.076 0.000 3.428 527 T HA 0.207 4.556 4.350 -0.002 0.000 0.301 527 T C -2.728 172.008 174.700 0.060 0.000 1.323 527 T CA -1.164 60.910 62.100 -0.043 0.000 1.647 527 T CB 1.633 70.390 68.868 -0.186 0.000 0.871 527 T HN -0.027 nan 8.240 nan 0.000 0.627 528 P HA 0.274 nan 4.420 nan 0.000 0.278 528 P C 0.786 178.186 177.300 0.167 0.000 1.238 528 P CA -0.672 62.499 63.100 0.118 0.000 0.794 528 P CB 1.304 33.059 31.700 0.091 0.000 0.955 529 L N 3.095 124.384 121.223 0.110 0.000 2.179 529 L HA -0.071 4.268 4.340 -0.002 0.000 0.208 529 L C 2.725 179.573 176.870 -0.036 0.000 1.096 529 L CA 2.541 57.414 54.840 0.054 0.000 0.779 529 L CB -1.630 40.463 42.059 0.056 0.000 0.922 529 L HN 0.415 nan 8.230 nan 0.000 0.443 530 K N 0.394 120.787 120.400 -0.011 0.000 2.074 530 K HA -0.149 4.170 4.320 -0.002 0.000 0.209 530 K C 0.077 176.639 176.600 -0.063 0.000 1.048 530 K CA 2.047 58.316 56.287 -0.030 0.000 0.926 530 K CB -2.504 29.990 32.500 -0.011 0.000 0.713 530 K HN 0.414 nan 8.250 nan 0.000 0.444 531 P HA -0.095 nan 4.420 nan 0.000 0.216 531 P C 1.592 178.794 177.300 -0.164 0.000 1.153 531 P CA 0.758 63.799 63.100 -0.098 0.000 0.848 531 P CB -0.023 31.630 31.700 -0.079 0.000 0.787 532 L N -0.959 120.113 121.223 -0.252 0.000 2.042 532 L HA -0.171 4.168 4.340 -0.002 0.000 0.210 532 L C 2.258 178.980 176.870 -0.246 0.000 1.076 532 L CA 1.654 56.279 54.840 -0.358 0.000 0.749 532 L CB -1.030 40.616 42.059 -0.689 0.000 0.893 532 L HN -0.126 nan 8.230 nan 0.000 0.432 533 L N -0.974 120.143 121.223 -0.177 0.000 2.042 533 L HA -0.278 4.061 4.340 -0.002 0.000 0.210 533 L C 2.762 179.564 176.870 -0.113 0.000 1.076 533 L CA 1.599 56.368 54.840 -0.118 0.000 0.749 533 L CB -0.597 41.417 42.059 -0.074 0.000 0.893 533 L HN 0.301 nan 8.230 nan 0.000 0.432 534 R N 0.036 120.468 120.500 -0.114 0.000 2.073 534 R HA -0.163 4.176 4.340 -0.002 0.000 0.229 534 R C 2.293 178.513 176.300 -0.134 0.000 1.120 534 R CA 1.010 57.049 56.100 -0.102 0.000 0.967 534 R CB -0.176 30.073 30.300 -0.085 0.000 0.862 534 R HN 0.176 nan 8.270 nan 0.000 0.436 535 L N 0.655 121.773 121.223 -0.174 0.000 2.042 535 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 535 L C 1.898 178.592 176.870 -0.294 0.000 1.076 535 L CA 1.815 56.525 54.840 -0.217 0.000 0.749 535 L CB -0.299 41.617 42.059 -0.239 0.000 0.893 535 L HN 0.231 nan 8.230 nan 0.000 0.432 536 M N -0.784 118.624 119.600 -0.321 0.000 2.117 536 M HA -0.099 4.380 4.480 -0.002 0.000 0.262 536 M C 2.197 178.363 176.300 -0.223 0.000 1.065 536 M CA 1.631 56.674 55.300 -0.429 0.000 1.114 536 M CB -1.105 31.352 32.600 -0.239 0.000 1.361 536 M HN 0.493 nan 8.290 nan 0.000 0.408 537 G N 0.325 109.050 108.800 -0.125 0.000 2.446 537 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.217 537 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.217 537 G C 1.483 176.343 174.900 -0.066 0.000 1.168 537 G CA 1.684 46.747 45.100 -0.061 0.000 0.771 537 G HN 0.552 nan 8.290 nan 0.000 0.551 538 E N 0.751 120.889 120.200 -0.102 0.000 2.077 538 E HA -0.008 4.341 4.350 -0.002 0.000 0.193 538 E C 2.437 178.986 176.600 -0.085 0.000 0.989 538 E CA 1.306 57.653 56.400 -0.088 0.000 0.800 538 E CB -0.549 29.090 29.700 -0.102 0.000 0.746 538 E HN 0.472 nan 8.360 nan 0.000 0.452 539 L N -0.814 120.315 121.223 -0.158 0.000 2.056 539 L HA -0.063 4.276 4.340 -0.002 0.000 0.207 539 L C 2.781 179.688 176.870 0.061 0.000 1.078 539 L CA 1.244 56.010 54.840 -0.123 0.000 0.749 539 L CB -0.337 41.470 42.059 -0.420 0.000 0.901 539 L HN 0.381 nan 8.230 nan 0.000 0.433 540 L N 0.416 121.708 121.223 0.114 0.000 1.976 540 L HA -0.159 4.180 4.340 -0.002 0.000 0.209 540 L C 2.589 179.507 176.870 0.079 0.000 1.071 540 L CA 2.141 57.085 54.840 0.172 0.000 0.746 540 L CB -0.791 41.362 42.059 0.155 0.000 0.890 540 L HN 0.151 nan 8.230 nan 0.000 0.432 541 A N -0.819 122.023 122.820 0.036 0.000 2.125 541 A HA -0.141 4.178 4.320 -0.002 0.000 0.219 541 A C 2.046 179.640 177.584 0.016 0.000 1.156 541 A CA 1.457 53.505 52.037 0.018 0.000 0.671 541 A CB -0.541 18.460 19.000 0.001 0.000 0.794 541 A HN 0.567 nan 8.150 nan 0.000 0.459 542 R N -1.719 118.793 120.500 0.019 0.000 2.633 542 R HA 0.311 4.650 4.340 -0.002 0.000 0.348 542 R C 1.046 177.365 176.300 0.032 0.000 1.100 542 R CA 0.405 56.515 56.100 0.017 0.000 1.068 542 R CB 0.130 30.432 30.300 0.003 0.000 1.351 542 R HN 0.551 nan 8.270 nan 0.000 0.575 543 G N 1.356 110.184 108.800 0.047 0.000 2.189 543 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.267 543 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.267 543 G C -0.013 174.931 174.900 0.074 0.000 0.975 543 G CA 0.213 45.344 45.100 0.052 0.000 0.644 543 G HN 0.106 nan 8.290 nan 0.000 0.537 544 K N 1.540 122.000 120.400 0.101 0.000 2.249 544 K HA 0.503 4.822 4.320 -0.002 0.000 0.280 544 K C 0.743 177.480 176.600 0.229 0.000 1.033 544 K CA 0.336 56.702 56.287 0.131 0.000 0.946 544 K CB 1.169 33.727 32.500 0.097 0.000 1.005 544 K HN 0.521 nan 8.250 nan 0.000 0.469 545 T N 0.344 115.009 114.554 0.185 0.000 2.845 545 T HA 0.703 5.052 4.350 -0.002 0.000 0.288 545 T C -0.108 174.755 174.700 0.272 0.000 0.980 545 T CA -0.666 61.531 62.100 0.161 0.000 1.071 545 T CB -0.083 68.833 68.868 0.080 0.000 0.941 545 T HN 0.471 nan 8.240 nan 0.000 0.487 546 F N -0.097 119.877 119.950 0.040 0.000 2.713 546 F HA 0.785 5.310 4.527 -0.002 0.000 0.311 546 F C -0.961 174.847 175.800 0.013 0.000 1.141 546 F CA -1.236 56.780 58.000 0.027 0.000 0.939 546 F CB 1.301 40.286 39.000 -0.025 0.000 1.325 546 F HN 0.802 nan 8.300 nan 0.000 0.453 547 E N 1.889 122.140 120.200 0.085 0.000 2.320 547 E HA 0.903 5.252 4.350 -0.002 0.000 0.264 547 E C -1.701 174.916 176.600 0.029 0.000 0.923 547 E CA -1.576 54.790 56.400 -0.057 0.000 0.796 547 E CB 2.473 32.175 29.700 0.004 0.000 1.262 547 E HN 1.166 nan 8.360 nan 0.000 0.428 548 A N 1.540 124.245 122.820 -0.192 0.000 2.547 548 A HA 0.518 4.837 4.320 -0.002 0.000 0.297 548 A C -1.616 175.661 177.584 -0.512 0.000 1.056 548 A CA -0.776 51.165 52.037 -0.160 0.000 0.688 548 A CB 1.476 20.507 19.000 0.053 0.000 1.282 548 A HN 0.678 nan 8.150 nan 0.000 0.400 549 H N 1.714 120.815 119.070 0.052 0.000 3.013 549 H HA 0.427 4.981 4.556 -0.002 0.000 0.326 549 H C -1.435 173.932 175.328 0.065 0.000 0.973 549 H CA -0.225 55.854 56.048 0.051 0.000 1.369 549 H CB 1.464 31.253 29.762 0.045 0.000 1.598 549 H HN 0.516 nan 8.280 nan 0.000 0.518 550 I N 5.188 125.838 120.570 0.133 0.000 2.355 550 I HA 0.188 4.357 4.170 -0.002 0.000 0.288 550 I C -0.400 175.777 176.117 0.099 0.000 0.999 550 I CA -0.520 60.850 61.300 0.117 0.000 1.163 550 I CB 1.040 39.086 38.000 0.077 0.000 1.316 550 I HN 0.312 nan 8.210 nan 0.000 0.454 551 I N 7.788 128.412 120.570 0.091 0.000 2.465 551 I HA 0.498 4.666 4.170 -0.002 0.000 0.291 551 I C -2.472 173.668 176.117 0.038 0.000 1.014 551 I CA -3.069 58.267 61.300 0.060 0.000 1.093 551 I CB 1.129 39.159 38.000 0.049 0.000 1.267 551 I HN 0.184 nan 8.210 nan 0.000 0.431 552 P HA 0.169 nan 4.420 nan 0.000 0.272 552 P C -0.446 176.856 177.300 0.004 0.000 1.230 552 P CA 0.141 63.250 63.100 0.015 0.000 0.788 552 P CB 0.347 32.055 31.700 0.013 0.000 0.949 553 D N -0.283 120.114 120.400 -0.005 0.000 2.737 553 D HA -0.232 4.407 4.640 -0.002 0.000 0.233 553 D C 1.266 177.554 176.300 -0.021 0.000 1.155 553 D CA 1.227 55.218 54.000 -0.014 0.000 0.667 553 D CB -1.538 39.255 40.800 -0.011 0.000 1.060 553 D HN 0.451 nan 8.370 nan 0.000 0.427 554 A N 0.142 122.948 122.820 -0.024 0.000 1.940 554 A HA 0.133 4.452 4.320 -0.002 0.000 0.221 554 A C 1.809 179.368 177.584 -0.041 0.000 1.190 554 A CA 2.814 54.833 52.037 -0.031 0.000 0.647 554 A CB -0.611 18.364 19.000 -0.042 0.000 0.821 554 A HN 1.604 nan 8.150 nan 0.000 0.457 555 G N -4.443 104.330 108.800 -0.045 0.000 2.693 555 G HA2 0.072 4.031 3.960 -0.002 0.000 0.226 555 G HA3 0.072 4.031 3.960 -0.002 0.000 0.226 555 G C 0.456 175.322 174.900 -0.056 0.000 1.354 555 G CA 1.409 46.481 45.100 -0.046 0.000 0.873 555 G HN 1.795 nan 8.290 nan 0.000 0.562 556 H N -1.397 117.643 119.070 -0.050 0.000 2.406 556 H HA 0.877 5.432 4.556 -0.002 0.000 0.304 556 H C 1.599 176.898 175.328 -0.049 0.000 1.042 556 H CA 2.598 58.614 56.048 -0.054 0.000 1.360 556 H CB -0.068 29.664 29.762 -0.049 0.000 1.448 556 H HN 2.229 nan 8.280 nan 0.000 0.553 557 A N -0.558 122.239 122.820 -0.038 0.000 2.437 557 A HA 0.679 4.998 4.320 -0.002 0.000 0.292 557 A C -1.126 176.434 177.584 -0.040 0.000 1.173 557 A CA -0.542 51.478 52.037 -0.028 0.000 0.785 557 A CB 0.971 19.957 19.000 -0.023 0.000 1.351 557 A HN 0.389 nan 8.150 nan 0.000 0.431 558 I N 1.759 122.298 120.570 -0.052 0.000 2.306 558 I HA 0.265 4.434 4.170 -0.002 0.000 0.288 558 I C 0.079 176.143 176.117 -0.088 0.000 1.036 558 I CA -0.290 60.945 61.300 -0.109 0.000 1.221 558 I CB 0.970 38.823 38.000 -0.244 0.000 1.385 558 I HN 0.622 nan 8.210 nan 0.000 0.472 559 N N 2.458 121.123 118.700 -0.059 0.000 2.503 559 N HA 0.057 4.796 4.740 -0.002 0.000 0.210 559 N C 0.623 176.114 175.510 -0.031 0.000 1.077 559 N CA 0.453 53.484 53.050 -0.033 0.000 0.855 559 N CB 0.556 39.041 38.487 -0.003 0.000 1.323 559 N HN 0.613 nan 8.380 nan 0.000 0.452 560 T N -1.488 113.044 114.554 -0.037 0.000 2.944 560 T HA 0.315 4.664 4.350 -0.002 0.000 0.284 560 T C 1.304 175.975 174.700 -0.049 0.000 1.010 560 T CA -0.548 61.533 62.100 -0.032 0.000 1.025 560 T CB 1.853 70.706 68.868 -0.024 0.000 1.079 560 T HN -0.204 nan 8.240 nan 0.000 0.516 561 M N 0.569 120.145 119.600 -0.040 0.000 2.149 561 M HA -0.034 4.445 4.480 -0.002 0.000 0.261 561 M C 2.164 178.432 176.300 -0.053 0.000 1.064 561 M CA 1.754 57.025 55.300 -0.047 0.000 1.102 561 M CB -1.205 31.377 32.600 -0.030 0.000 1.369 561 M HN 0.944 nan 8.290 nan 0.000 0.408 562 E N -0.374 119.802 120.200 -0.040 0.000 2.097 562 E HA -0.263 4.086 4.350 -0.002 0.000 0.196 562 E C 1.427 177.996 176.600 -0.052 0.000 1.000 562 E CA 1.841 58.217 56.400 -0.039 0.000 0.804 562 E CB -0.151 29.533 29.700 -0.027 0.000 0.740 562 E HN 0.540 nan 8.360 nan 0.000 0.454 563 D N 0.110 120.475 120.400 -0.060 0.000 2.117 563 D HA -0.164 4.475 4.640 -0.002 0.000 0.197 563 D C 1.854 178.092 176.300 -0.104 0.000 0.987 563 D CA 1.414 55.370 54.000 -0.073 0.000 0.829 563 D CB -0.365 40.388 40.800 -0.079 0.000 0.961 563 D HN 0.326 nan 8.370 nan 0.000 0.460 564 A N 0.712 123.454 122.820 -0.130 0.000 1.933 564 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 564 A C 2.551 180.044 177.584 -0.152 0.000 1.175 564 A CA 1.105 53.037 52.037 -0.175 0.000 0.628 564 A CB -0.675 18.217 19.000 -0.180 0.000 0.814 564 A HN 0.148 nan 8.150 nan 0.000 0.444 565 V N 0.029 119.874 119.914 -0.115 0.000 2.427 565 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 565 V C 2.441 178.471 176.094 -0.107 0.000 1.051 565 V CA 2.332 64.565 62.300 -0.111 0.000 1.048 565 V CB -0.624 31.161 31.823 -0.063 0.000 0.666 565 V HN 0.545 nan 8.190 nan 0.000 0.456 566 K N 0.003 120.357 120.400 -0.077 0.000 2.025 566 K HA -0.029 4.290 4.320 -0.002 0.000 0.207 566 K C 1.933 178.503 176.600 -0.050 0.000 1.049 566 K CA 2.020 58.276 56.287 -0.052 0.000 0.933 566 K CB -0.062 32.420 32.500 -0.030 0.000 0.714 566 K HN 0.660 nan 8.250 nan 0.000 0.438 567 I N -2.807 117.735 120.570 -0.047 0.000 4.592 567 I HA 0.110 4.279 4.170 -0.002 0.000 0.329 567 I C 1.388 177.555 176.117 0.083 0.000 1.309 567 I CA 0.004 61.318 61.300 0.024 0.000 1.243 567 I CB 0.361 38.367 38.000 0.011 0.000 1.241 567 I HN -0.056 nan 8.210 nan 0.000 0.434 568 L N 1.377 122.579 121.223 -0.035 0.000 2.347 568 L HA 0.337 4.676 4.340 -0.002 0.000 0.196 568 L C 2.014 178.817 176.870 -0.112 0.000 1.072 568 L CA 1.362 56.190 54.840 -0.021 0.000 0.817 568 L CB -0.646 41.248 42.059 -0.274 0.000 1.029 568 L HN 0.173 nan 8.230 nan 0.000 0.478 569 L N 0.511 121.577 121.223 -0.262 0.000 2.079 569 L HA -0.136 4.203 4.340 -0.002 0.000 0.210 569 L C -0.228 176.319 176.870 -0.538 0.000 1.081 569 L CA 1.445 55.958 54.840 -0.545 0.000 0.752 569 L CB -1.954 39.685 42.059 -0.700 0.000 0.896 569 L HN 0.278 nan 8.230 nan 0.000 0.433 570 P HA -0.181 nan 4.420 nan 0.000 0.215 570 P C 1.488 178.777 177.300 -0.018 0.000 1.153 570 P CA 1.832 64.803 63.100 -0.216 0.000 0.853 570 P CB -0.005 31.449 31.700 -0.410 0.000 0.788 571 A N -0.538 122.278 122.820 -0.008 0.000 1.858 571 A HA -0.160 4.158 4.320 -0.002 0.000 0.216 571 A C 2.362 180.005 177.584 0.099 0.000 1.190 571 A CA 2.059 54.128 52.037 0.054 0.000 0.617 571 A CB -1.719 17.331 19.000 0.083 0.000 0.827 571 A HN 0.034 nan 8.150 nan 0.000 0.443 572 V N -0.737 119.199 119.914 0.036 0.000 2.343 572 V HA -0.218 3.901 4.120 -0.002 0.000 0.247 572 V C 2.388 178.631 176.094 0.249 0.000 1.051 572 V CA 1.866 64.208 62.300 0.070 0.000 1.036 572 V CB -1.046 30.797 31.823 0.034 0.000 0.654 572 V HN 0.506 nan 8.190 nan 0.000 0.451 573 F N -0.132 119.899 119.950 0.136 0.000 2.095 573 F HA -0.152 4.374 4.527 -0.002 0.000 0.298 573 F C 2.278 178.189 175.800 0.186 0.000 1.104 573 F CA 1.225 59.338 58.000 0.189 0.000 1.232 573 F CB -1.386 37.781 39.000 0.278 0.000 0.987 573 F HN 0.238 nan 8.300 nan 0.000 0.475 574 F N 0.613 120.709 119.950 0.244 0.000 2.102 574 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 574 F C 2.104 177.932 175.800 0.046 0.000 1.105 574 F CA 1.607 59.691 58.000 0.140 0.000 1.239 574 F CB -0.598 38.465 39.000 0.105 0.000 0.991 574 F HN -0.125 nan 8.300 nan 0.000 0.474 575 L N 0.170 121.436 121.223 0.071 0.000 2.083 575 L HA -0.185 4.154 4.340 -0.002 0.000 0.209 575 L C 2.833 179.637 176.870 -0.109 0.000 1.083 575 L CA 1.117 55.799 54.840 -0.262 0.000 0.752 575 L CB -1.213 40.527 42.059 -0.531 0.000 0.899 575 L HN 0.288 nan 8.230 nan 0.000 0.433 576 A N -0.686 122.193 122.820 0.099 0.000 1.972 576 A HA -0.186 4.133 4.320 -0.002 0.000 0.219 576 A C 2.365 179.925 177.584 -0.039 0.000 1.169 576 A CA 2.276 54.374 52.037 0.101 0.000 0.635 576 A CB -0.746 18.290 19.000 0.060 0.000 0.810 576 A HN 0.374 nan 8.150 nan 0.000 0.446 577 T N -0.418 114.095 114.554 -0.069 0.000 2.770 577 T HA -0.098 4.251 4.350 -0.002 0.000 0.263 577 T C 2.112 176.738 174.700 -0.122 0.000 1.039 577 T CA 1.347 63.396 62.100 -0.085 0.000 1.142 577 T CB -0.194 68.651 68.868 -0.038 0.000 0.868 577 T HN 0.423 nan 8.240 nan 0.000 0.435 578 Q N 1.017 120.679 119.800 -0.231 0.000 2.124 578 Q HA -0.045 4.294 4.340 -0.002 0.000 0.202 578 Q C 2.300 178.315 176.000 0.025 0.000 0.977 578 Q CA 1.142 56.854 55.803 -0.152 0.000 0.850 578 Q CB -0.433 28.170 28.738 -0.224 0.000 0.901 578 Q HN 0.453 nan 8.270 nan 0.000 0.429 579 R N 0.760 121.277 120.500 0.027 0.000 2.249 579 R HA -0.138 4.200 4.340 -0.002 0.000 0.230 579 R C 1.120 177.439 176.300 0.031 0.000 1.121 579 R CA 1.015 57.175 56.100 0.100 0.000 0.997 579 R CB 0.305 30.628 30.300 0.039 0.000 0.867 579 R HN 0.156 nan 8.270 nan 0.000 0.465 580 E N -1.007 119.187 120.200 -0.009 0.000 2.415 580 E HA 0.046 4.394 4.350 -0.002 0.000 0.197 580 E C 0.891 177.488 176.600 -0.006 0.000 1.007 580 E CA 0.488 56.877 56.400 -0.019 0.000 0.890 580 E CB 0.476 30.151 29.700 -0.042 0.000 0.891 580 E HN 0.340 nan 8.360 nan 0.000 0.496 581 R N 0.000 120.501 120.500 0.001 0.000 2.786 581 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 581 R CA 0.000 56.102 56.100 0.004 0.000 0.921 581 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535