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 1ihp_1_A DATA FIRST_RESID 7 DATA SEQUENCE ScDTVDQGYQ cFSETSHLWG QYAPFFSLAN ESVISPEVPA GcRVTFAQVL DATA SEQUENCE SRHGARYPTD SKGKKYSALI EEIQQNATTF DGKYAFLKTY NYSLGADDLT DATA SEQUENCE PFGEQELVNS GIKFYQRYES LTRNIVPFIR SSGSSRVIAS GKKFIEGFQS DATA SEQUENCE TKLKDPRAQP GQSSPKIDVV ISEASSSNNT LDPGTcTVFE DSELADTVEA DATA SEQUENCE NFTATFVPSI RQRLENDLSG VTLTDTEVTY LMDMcSFDTI STXXXXTKLS DATA SEQUENCE PFcDLFTHDE WINYDYLQSL KKYYGHGAGN PLGPTQGVGY ANELIARLTH DATA SEQUENCE SPVHDDTSSN HTLDSSPATF PLNSTLYADF SHDNGIISIL FALGLYNGTK DATA SEQUENCE PLSTTTVENI TQTDGFSSAW TVPFASRLYV EMMQcQAEQE PLVRVLVNDR DATA SEQUENCE VVPLHGcPVD ALGRcTRDSF VRGLSFARSG GDWAEcFA 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.561 174.600 -0.065 0.000 1.055 7 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 7 S CB 0.000 63.177 63.200 -0.039 0.000 0.593 8 c N 0.890 119.424 118.600 -0.110 0.000 3.183 8 c HA 0.551 5.128 4.570 0.013 0.000 0.285 8 c C 0.250 174.241 174.090 -0.166 0.000 1.313 8 c CA -0.491 55.721 56.329 -0.195 0.000 1.711 8 c CB -0.993 41.306 42.510 -0.353 0.000 2.135 8 c HN 0.436 nan 8.230 nan 0.000 0.651 9 D N 2.773 123.167 120.400 -0.010 0.000 2.460 9 D HA 0.436 5.084 4.640 0.013 0.000 0.232 9 D C 0.307 176.704 176.300 0.162 0.000 1.079 9 D CA 0.431 54.543 54.000 0.187 0.000 0.864 9 D CB 1.066 42.163 40.800 0.496 0.000 1.048 9 D HN 0.565 nan 8.370 nan 0.000 0.523 10 T N -0.665 113.972 114.554 0.139 0.000 2.948 10 T HA 0.330 4.687 4.350 0.013 0.000 0.285 10 T C 1.370 176.160 174.700 0.150 0.000 1.019 10 T CA -0.757 61.411 62.100 0.114 0.000 1.013 10 T CB 1.248 70.160 68.868 0.073 0.000 1.117 10 T HN 0.007 nan 8.240 nan 0.000 0.533 11 V N 0.824 120.806 119.914 0.114 0.000 2.307 11 V HA -0.117 4.011 4.120 0.013 0.000 0.245 11 V C 2.363 178.551 176.094 0.158 0.000 1.045 11 V CA 1.965 64.336 62.300 0.118 0.000 1.024 11 V CB -0.621 31.245 31.823 0.072 0.000 0.651 11 V HN 0.903 nan 8.190 nan 0.000 0.449 12 D N -0.957 119.521 120.400 0.131 0.000 2.149 12 D HA -0.085 4.563 4.640 0.013 0.000 0.206 12 D C 2.229 178.633 176.300 0.173 0.000 0.967 12 D CA 0.832 54.915 54.000 0.139 0.000 0.848 12 D CB 0.052 40.901 40.800 0.082 0.000 0.998 12 D HN 0.336 nan 8.370 nan 0.000 0.474 13 Q N 0.294 120.172 119.800 0.130 0.000 2.389 13 Q HA 0.161 4.508 4.340 0.013 0.000 0.204 13 Q C 1.251 177.299 176.000 0.081 0.000 0.944 13 Q CA 0.425 56.281 55.803 0.088 0.000 0.908 13 Q CB 0.754 29.518 28.738 0.044 0.000 1.002 13 Q HN 0.287 nan 8.270 nan 0.000 0.493 14 G N 0.819 109.747 108.800 0.213 0.000 2.584 14 G HA2 -0.335 3.633 3.960 0.013 0.000 0.229 14 G HA3 -0.335 3.633 3.960 0.013 0.000 0.229 14 G C -0.939 174.125 174.900 0.273 0.000 1.320 14 G CA -0.223 45.032 45.100 0.258 0.000 0.891 14 G HN 0.293 nan 8.290 nan 0.000 0.573 15 Y N 2.232 122.654 120.300 0.202 0.000 2.504 15 Y HA 0.531 5.089 4.550 0.013 0.000 0.351 15 Y C 1.465 177.484 175.900 0.199 0.000 0.988 15 Y CA 0.186 58.434 58.100 0.246 0.000 1.239 15 Y CB 0.914 39.597 38.460 0.372 0.000 1.128 15 Y HN 0.375 nan 8.280 nan 0.000 0.525 16 Q N 4.013 123.691 119.800 -0.203 0.000 2.219 16 Q HA 0.188 4.536 4.340 0.013 0.000 0.209 16 Q C -0.070 175.626 176.000 -0.507 0.000 0.854 16 Q CA 0.043 55.704 55.803 -0.236 0.000 0.960 16 Q CB 0.020 28.666 28.738 -0.153 0.000 1.116 16 Q HN 0.527 nan 8.270 nan 0.000 0.500 17 c N 1.297 119.357 118.600 -0.900 0.000 2.601 17 c HA 0.264 4.842 4.570 0.013 0.000 0.409 17 c C 0.913 174.601 174.090 -0.670 0.000 1.293 17 c CA -0.554 55.183 56.329 -0.987 0.000 2.101 17 c CB -1.321 40.450 42.510 -1.233 0.000 2.639 17 c HN 0.590 nan 8.230 nan 0.000 0.592 18 F N 1.501 121.284 119.950 -0.277 0.000 3.097 18 F HA -0.273 4.261 4.527 0.013 0.000 0.278 18 F C 1.964 177.518 175.800 -0.410 0.000 0.917 18 F CA 0.819 58.662 58.000 -0.262 0.000 0.962 18 F CB -2.494 36.400 39.000 -0.177 0.000 0.964 18 F HN 0.807 nan 8.300 nan 0.000 0.668 19 S N 0.494 115.925 115.700 -0.450 0.000 2.400 19 S HA -0.341 4.137 4.470 0.013 0.000 0.234 19 S C 1.921 176.146 174.600 -0.624 0.000 1.049 19 S CA 1.585 59.260 58.200 -0.875 0.000 1.039 19 S CB -0.350 62.313 63.200 -0.895 0.000 0.856 19 S HN 0.727 nan 8.310 nan 0.000 0.465 20 E N 1.403 121.408 120.200 -0.325 0.000 2.338 20 E HA -0.082 4.276 4.350 0.013 0.000 0.197 20 E C 1.237 177.782 176.600 -0.091 0.000 1.007 20 E CA 1.593 57.903 56.400 -0.150 0.000 0.849 20 E CB -0.882 28.744 29.700 -0.124 0.000 0.774 20 E HN 0.659 nan 8.360 nan 0.000 0.506 21 T N 0.300 114.682 114.554 -0.288 0.000 3.138 21 T HA -0.028 4.329 4.350 0.013 0.000 0.245 21 T C 1.902 175.978 174.700 -1.040 0.000 0.982 21 T CA 0.963 62.749 62.100 -0.523 0.000 1.134 21 T CB -0.195 68.391 68.868 -0.470 0.000 1.032 21 T HN 0.363 nan 8.240 nan 0.000 0.442 22 S N 1.976 117.014 115.700 -1.102 0.000 2.400 22 S HA -0.216 4.262 4.470 0.013 0.000 0.232 22 S C 1.571 175.610 174.600 -0.936 0.000 1.025 22 S CA 1.269 58.450 58.200 -1.698 0.000 0.993 22 S CB -0.944 61.866 63.200 -0.650 0.000 0.808 22 S HN 0.679 nan 8.310 nan 0.000 0.478 23 H N 0.352 118.980 119.070 -0.736 0.000 2.556 23 H HA 0.280 4.844 4.556 0.013 0.000 0.268 23 H C 0.721 175.900 175.328 -0.247 0.000 0.996 23 H CA 0.435 56.113 56.048 -0.617 0.000 1.157 23 H CB 0.011 29.268 29.762 -0.842 0.000 1.355 23 H HN 0.374 nan 8.280 nan 0.000 0.597 24 L N 0.301 121.412 121.223 -0.187 0.000 2.872 24 L HA 0.055 4.403 4.340 0.013 0.000 0.245 24 L C 0.357 177.436 176.870 0.348 0.000 1.211 24 L CA -0.332 54.549 54.840 0.069 0.000 1.013 24 L CB 0.218 42.323 42.059 0.077 0.000 1.326 24 L HN 0.400 nan 8.230 nan 0.000 0.525 25 W N 1.130 122.558 121.300 0.213 0.000 3.330 25 W HA 0.386 5.054 4.660 0.012 0.000 0.348 25 W C 1.474 178.134 176.519 0.235 0.000 1.205 25 W CA -0.052 57.490 57.345 0.329 0.000 1.841 25 W CB -0.905 28.661 29.460 0.177 0.000 1.084 25 W HN 0.280 nan 8.180 nan 0.000 0.665 26 G N 2.268 111.244 108.800 0.294 0.000 2.622 26 G HA2 -0.405 3.563 3.960 0.013 0.000 0.307 26 G HA3 -0.405 3.563 3.960 0.013 0.000 0.307 26 G C 1.182 176.050 174.900 -0.053 0.000 1.226 26 G CA 1.035 46.163 45.100 0.047 0.000 0.997 26 G HN 0.269 nan 8.290 nan 0.000 0.551 27 Q N 0.570 120.209 119.800 -0.268 0.000 2.482 27 Q HA 0.087 4.434 4.340 0.013 0.000 0.209 27 Q C 1.358 176.987 176.000 -0.619 0.000 0.961 27 Q CA 1.522 57.088 55.803 -0.394 0.000 0.945 27 Q CB 0.045 28.554 28.738 -0.383 0.000 1.012 27 Q HN 0.779 nan 8.270 nan 0.000 0.515 28 Y N 0.535 120.672 120.300 -0.270 0.000 2.485 28 Y HA 0.516 5.074 4.550 0.012 0.000 0.260 28 Y C 0.889 176.789 175.900 0.001 0.000 1.173 28 Y CA -1.092 56.777 58.100 -0.385 0.000 1.252 28 Y CB 0.068 38.434 38.460 -0.158 0.000 1.123 28 Y HN 0.159 nan 8.280 nan 0.000 0.524 29 A N 1.476 124.429 122.820 0.222 0.000 2.327 29 A HA 0.561 4.889 4.320 0.013 0.000 0.283 29 A C -2.559 175.260 177.584 0.393 0.000 1.127 29 A CA -1.546 50.746 52.037 0.424 0.000 0.810 29 A CB 0.178 19.398 19.000 0.365 0.000 1.066 29 A HN -0.054 nan 8.150 nan 0.000 0.492 30 P HA 0.225 nan 4.420 nan 0.000 0.275 30 P C -0.281 177.306 177.300 0.479 0.000 1.228 30 P CA -0.311 63.101 63.100 0.520 0.000 0.786 30 P CB 0.313 32.185 31.700 0.287 0.000 0.927 31 F N 4.381 124.506 119.950 0.291 0.000 2.629 31 F HA 0.251 4.786 4.527 0.014 0.000 0.377 31 F C -0.657 175.272 175.800 0.215 0.000 1.101 31 F CA 0.178 58.243 58.000 0.107 0.000 1.301 31 F CB -0.346 38.679 39.000 0.041 0.000 1.062 31 F HN 0.170 nan 8.300 nan 0.000 0.583 32 F N 3.210 122.482 119.950 -1.131 0.000 2.569 32 F HA 0.493 5.028 4.527 0.013 0.000 0.312 32 F C -0.525 174.480 175.800 -1.325 0.000 1.109 32 F CA -1.469 55.910 58.000 -1.035 0.000 0.919 32 F CB 0.489 39.055 39.000 -0.723 0.000 1.211 32 F HN 0.421 nan 8.300 nan 0.000 0.446 33 S N 2.811 117.979 115.700 -0.886 0.000 2.533 33 S HA 0.317 4.795 4.470 0.013 0.000 0.282 33 S C 0.445 174.839 174.600 -0.344 0.000 1.304 33 S CA -0.518 57.393 58.200 -0.482 0.000 1.063 33 S CB 0.214 63.366 63.200 -0.080 0.000 0.881 33 S HN 0.771 nan 8.310 nan 0.000 0.493 34 L N 4.844 125.839 121.223 -0.379 0.000 2.685 34 L HA 0.232 4.580 4.340 0.013 0.000 0.233 34 L C 2.215 178.952 176.870 -0.222 0.000 1.173 34 L CA 0.094 54.681 54.840 -0.420 0.000 0.961 34 L CB -0.632 41.014 42.059 -0.690 0.000 1.217 34 L HN 0.846 nan 8.230 nan 0.000 0.478 35 A N 0.853 123.604 122.820 -0.115 0.000 1.917 35 A HA -0.234 4.094 4.320 0.013 0.000 0.219 35 A C 1.939 179.499 177.584 -0.040 0.000 1.182 35 A CA 1.905 53.914 52.037 -0.047 0.000 0.633 35 A CB -0.359 18.638 19.000 -0.005 0.000 0.819 35 A HN 0.479 nan 8.150 nan 0.000 0.448 36 N N -0.182 118.493 118.700 -0.043 0.000 2.512 36 N HA -0.054 4.694 4.740 0.013 0.000 0.183 36 N C 0.973 176.478 175.510 -0.008 0.000 1.073 36 N CA 0.765 53.805 53.050 -0.017 0.000 0.911 36 N CB -0.057 38.426 38.487 -0.006 0.000 0.964 36 N HN 0.486 nan 8.380 nan 0.000 0.447 37 E N -0.086 120.087 120.200 -0.045 0.000 2.472 37 E HA 0.079 4.437 4.350 0.013 0.000 0.196 37 E C 0.041 176.661 176.600 0.032 0.000 1.033 37 E CA -0.012 56.389 56.400 0.001 0.000 0.886 37 E CB 0.224 29.866 29.700 -0.096 0.000 0.944 37 E HN -0.010 nan 8.360 nan 0.000 0.492 38 S N 0.608 116.307 115.700 -0.001 0.000 2.505 38 S HA 0.120 4.598 4.470 0.013 0.000 0.276 38 S C 1.463 176.086 174.600 0.038 0.000 1.274 38 S CA -0.416 57.798 58.200 0.024 0.000 1.053 38 S CB 0.964 64.166 63.200 0.004 0.000 0.919 38 S HN -0.133 nan 8.310 nan 0.000 0.490 39 V N 6.201 126.146 119.914 0.052 0.000 2.453 39 V HA 0.005 4.132 4.120 0.013 0.000 0.247 39 V C 0.909 177.021 176.094 0.030 0.000 1.048 39 V CA 1.228 63.555 62.300 0.045 0.000 1.049 39 V CB -0.420 31.434 31.823 0.052 0.000 0.672 39 V HN 0.728 nan 8.190 nan 0.000 0.457 40 I N 0.231 120.816 120.570 0.026 0.000 2.396 40 I HA 0.189 4.367 4.170 0.013 0.000 0.292 40 I C 0.627 176.754 176.117 0.016 0.000 0.999 40 I CA 0.057 61.368 61.300 0.017 0.000 1.310 40 I CB 1.484 39.492 38.000 0.013 0.000 1.404 40 I HN 0.027 nan 8.210 nan 0.000 0.496 41 S N 6.830 122.536 115.700 0.011 0.000 2.525 41 S HA 0.133 4.611 4.470 0.013 0.000 0.285 41 S C -1.447 173.160 174.600 0.011 0.000 1.283 41 S CA -1.013 57.193 58.200 0.009 0.000 1.072 41 S CB 0.650 63.853 63.200 0.004 0.000 0.867 41 S HN 0.379 nan 8.310 nan 0.000 0.492 42 P HA -0.010 nan 4.420 nan 0.000 0.222 42 P C -0.320 176.987 177.300 0.012 0.000 1.147 42 P CA 0.646 63.762 63.100 0.026 0.000 0.790 42 P CB 0.068 31.788 31.700 0.033 0.000 0.780 43 E N -0.469 119.728 120.200 -0.006 0.000 2.398 43 E HA 0.119 4.477 4.350 0.013 0.000 0.263 43 E C -0.199 176.386 176.600 -0.025 0.000 1.046 43 E CA -0.391 55.992 56.400 -0.027 0.000 0.908 43 E CB 0.369 30.053 29.700 -0.027 0.000 0.963 43 E HN -0.181 nan 8.360 nan 0.000 0.431 44 V N 5.029 124.916 119.914 -0.046 0.000 2.529 44 V HA 0.047 4.174 4.120 0.013 0.000 0.292 44 V C -1.869 174.212 176.094 -0.023 0.000 1.028 44 V CA -1.260 61.021 62.300 -0.031 0.000 1.074 44 V CB -0.074 31.718 31.823 -0.052 0.000 0.958 44 V HN 0.642 nan 8.190 nan 0.000 0.481 45 P HA 0.173 nan 4.420 nan 0.000 0.266 45 P C -0.204 177.089 177.300 -0.012 0.000 1.195 45 P CA 0.021 63.115 63.100 -0.010 0.000 0.768 45 P CB 0.422 32.120 31.700 -0.004 0.000 0.838 46 A N 2.724 125.536 122.820 -0.013 0.000 2.488 46 A HA 0.450 4.777 4.320 0.013 0.000 0.249 46 A C 1.464 179.043 177.584 -0.010 0.000 1.083 46 A CA 0.621 52.650 52.037 -0.013 0.000 0.768 46 A CB -1.088 17.905 19.000 -0.012 0.000 1.017 46 A HN 0.901 nan 8.150 nan 0.000 0.496 47 G N 0.535 109.329 108.800 -0.010 0.000 2.175 47 G HA2 -0.205 3.762 3.960 0.013 0.000 0.244 47 G HA3 -0.205 3.762 3.960 0.013 0.000 0.244 47 G C 0.187 175.085 174.900 -0.004 0.000 0.982 47 G CA 0.125 45.221 45.100 -0.007 0.000 0.641 47 G HN 1.143 nan 8.290 nan 0.000 0.527 48 c N -0.224 118.374 118.600 -0.004 0.000 2.562 48 c HA 0.923 5.501 4.570 0.013 0.000 0.332 48 c C 0.460 174.551 174.090 0.001 0.000 1.201 48 c CA -0.870 55.460 56.329 0.001 0.000 1.803 48 c CB 1.848 44.361 42.510 0.004 0.000 2.328 48 c HN 0.610 nan 8.230 nan 0.000 0.500 49 R N 1.153 121.658 120.500 0.009 0.000 2.532 49 R HA 0.600 4.947 4.340 0.013 0.000 0.297 49 R C -1.538 174.779 176.300 0.028 0.000 0.984 49 R CA -0.294 55.813 56.100 0.010 0.000 0.884 49 R CB 1.326 31.629 30.300 0.006 0.000 1.182 49 R HN 0.632 nan 8.270 nan 0.000 0.442 50 V N 3.900 123.838 119.914 0.040 0.000 2.572 50 V HA 0.067 4.195 4.120 0.013 0.000 0.291 50 V C 1.290 177.414 176.094 0.050 0.000 1.039 50 V CA 0.555 62.895 62.300 0.066 0.000 1.055 50 V CB 1.272 33.169 31.823 0.124 0.000 0.969 50 V HN 1.024 nan 8.190 nan 0.000 0.482 51 T N 0.861 115.462 114.554 0.079 0.000 3.040 51 T HA 0.338 4.696 4.350 0.013 0.000 0.266 51 T C -0.296 174.515 174.700 0.184 0.000 1.005 51 T CA -0.054 62.105 62.100 0.100 0.000 0.906 51 T CB 0.058 68.988 68.868 0.103 0.000 1.082 51 T HN 0.429 nan 8.240 nan 0.000 0.531 52 F N 1.006 120.940 119.950 -0.027 0.000 2.672 52 F HA 0.667 5.202 4.527 0.012 0.000 0.311 52 F C -2.074 173.655 175.800 -0.118 0.000 1.113 52 F CA -1.031 56.957 58.000 -0.021 0.000 0.996 52 F CB 1.220 40.237 39.000 0.029 0.000 1.286 52 F HN 0.203 nan 8.300 nan 0.000 0.441 53 A N 5.128 127.482 122.820 -0.778 0.000 2.488 53 A HA 0.661 4.988 4.320 0.013 0.000 0.295 53 A C -1.865 175.346 177.584 -0.622 0.000 1.045 53 A CA -0.540 51.083 52.037 -0.690 0.000 0.703 53 A CB 1.816 20.124 19.000 -1.153 0.000 1.271 53 A HN 0.871 nan 8.150 nan 0.000 0.400 54 Q N 1.454 121.079 119.800 -0.291 0.000 2.347 54 Q HA 0.686 5.034 4.340 0.013 0.000 0.271 54 Q C -1.996 174.047 176.000 0.071 0.000 1.064 54 Q CA -0.615 55.133 55.803 -0.091 0.000 0.800 54 Q CB 2.463 31.216 28.738 0.025 0.000 1.304 54 Q HN 1.020 nan 8.270 nan 0.000 0.438 55 V N 5.188 125.053 119.914 -0.082 0.000 2.555 55 V HA 0.663 4.790 4.120 0.013 0.000 0.302 55 V C -1.681 174.258 176.094 -0.258 0.000 1.038 55 V CA -0.773 61.487 62.300 -0.066 0.000 0.887 55 V CB 1.712 33.373 31.823 -0.270 0.000 0.991 55 V HN 0.802 nan 8.190 nan 0.000 0.434 56 L N 6.207 127.314 121.223 -0.194 0.000 2.319 56 L HA 0.793 5.140 4.340 0.013 0.000 0.281 56 L C -0.393 176.265 176.870 -0.353 0.000 1.005 56 L CA 0.565 55.237 54.840 -0.280 0.000 0.828 56 L CB 1.651 43.623 42.059 -0.144 0.000 1.227 56 L HN 0.745 nan 8.230 nan 0.000 0.415 57 S N 4.996 120.375 115.700 -0.535 0.000 2.536 57 S HA 0.689 5.167 4.470 0.013 0.000 0.298 57 S C -0.507 173.951 174.600 -0.237 0.000 1.083 57 S CA -0.816 57.148 58.200 -0.393 0.000 0.995 57 S CB 1.299 64.215 63.200 -0.475 0.000 1.058 57 S HN 0.859 nan 8.310 nan 0.000 0.488 58 R N 1.485 121.901 120.500 -0.140 0.000 2.549 58 R HA 0.403 4.751 4.340 0.013 0.000 0.267 58 R C -0.089 176.187 176.300 -0.041 0.000 1.045 58 R CA -0.449 55.564 56.100 -0.144 0.000 1.115 58 R CB 0.323 30.513 30.300 -0.185 0.000 1.121 58 R HN 0.933 nan 8.270 nan 0.000 0.543 59 H N -0.068 119.052 119.070 0.082 0.000 2.730 59 H HA 0.315 4.878 4.556 0.012 0.000 0.376 59 H C 0.510 175.911 175.328 0.122 0.000 1.299 59 H CA -0.132 55.966 56.048 0.083 0.000 1.447 59 H CB 0.135 29.912 29.762 0.026 0.000 1.493 59 H HN 0.725 nan 8.280 nan 0.000 0.619 60 G N -0.790 108.164 108.800 0.256 0.000 2.553 60 G HA2 0.425 4.393 3.960 0.013 0.000 0.278 60 G HA3 0.425 4.393 3.960 0.013 0.000 0.278 60 G C -0.376 174.530 174.900 0.009 0.000 1.349 60 G CA -0.609 44.566 45.100 0.125 0.000 1.037 60 G HN 0.989 nan 8.290 nan 0.000 0.508 61 A N -0.501 122.130 122.820 -0.314 0.000 2.540 61 A HA 0.515 4.843 4.320 0.013 0.000 0.239 61 A C 0.826 178.058 177.584 -0.588 0.000 1.061 61 A CA 0.371 51.818 52.037 -0.983 0.000 0.758 61 A CB -0.084 18.701 19.000 -0.359 0.000 0.991 61 A HN 0.919 nan 8.150 nan 0.000 0.502 62 R N 1.274 121.405 120.500 -0.615 0.000 2.930 62 R HA 0.710 5.058 4.340 0.013 0.000 0.257 62 R C -1.302 174.964 176.300 -0.057 0.000 1.107 62 R CA -0.885 55.066 56.100 -0.249 0.000 0.999 62 R CB 0.542 30.810 30.300 -0.053 0.000 1.209 62 R HN 0.483 nan 8.270 nan 0.000 0.486 63 Y N 0.022 120.382 120.300 0.100 0.000 2.281 63 Y HA 0.312 4.869 4.550 0.013 0.000 0.337 63 Y C -1.820 174.071 175.900 -0.015 0.000 1.304 63 Y CA -2.051 56.098 58.100 0.082 0.000 1.465 63 Y CB 0.094 38.556 38.460 0.003 0.000 1.350 63 Y HN 0.461 nan 8.280 nan 0.000 0.575 64 P HA 0.050 nan 4.420 nan 0.000 0.271 64 P C -0.614 176.611 177.300 -0.124 0.000 1.233 64 P CA -0.311 62.519 63.100 -0.450 0.000 0.789 64 P CB 0.258 31.584 31.700 -0.624 0.000 0.951 65 T N -2.409 112.083 114.554 -0.104 0.000 2.918 65 T HA 0.053 4.410 4.350 0.013 0.000 0.302 65 T C 0.991 175.624 174.700 -0.111 0.000 1.045 65 T CA -0.172 61.901 62.100 -0.045 0.000 1.114 65 T CB 0.273 69.135 68.868 -0.011 0.000 0.965 65 T HN 0.331 nan 8.240 nan 0.000 0.540 66 D N 1.171 121.530 120.400 -0.068 0.000 2.133 66 D HA -0.204 4.444 4.640 0.013 0.000 0.192 66 D C 2.208 178.430 176.300 -0.131 0.000 1.001 66 D CA 2.055 56.005 54.000 -0.083 0.000 0.844 66 D CB -0.318 40.453 40.800 -0.049 0.000 0.944 66 D HN 0.624 nan 8.370 nan 0.000 0.447 67 S N -0.745 114.881 115.700 -0.123 0.000 2.359 67 S HA -0.214 4.263 4.470 0.013 0.000 0.222 67 S C 1.909 176.353 174.600 -0.261 0.000 1.038 67 S CA 1.416 59.529 58.200 -0.145 0.000 1.051 67 S CB -0.261 62.879 63.200 -0.100 0.000 0.944 67 S HN 0.165 nan 8.310 nan 0.000 0.433 68 K N 0.403 120.582 120.400 -0.368 0.000 2.097 68 K HA -0.021 4.307 4.320 0.013 0.000 0.206 68 K C 2.289 178.313 176.600 -0.961 0.000 1.049 68 K CA 1.082 56.933 56.287 -0.728 0.000 0.933 68 K CB -1.126 30.879 32.500 -0.824 0.000 0.717 68 K HN 0.547 nan 8.250 nan 0.000 0.442 69 G N 2.445 110.893 108.800 -0.586 0.000 2.442 69 G HA2 -0.260 3.708 3.960 0.013 0.000 0.219 69 G HA3 -0.260 3.708 3.960 0.013 0.000 0.219 69 G C 1.560 176.235 174.900 -0.375 0.000 1.141 69 G CA 0.625 45.510 45.100 -0.358 0.000 0.763 69 G HN 0.189 nan 8.290 nan 0.000 0.554 70 K N 0.901 121.118 120.400 -0.304 0.000 1.991 70 K HA -0.080 4.248 4.320 0.013 0.000 0.212 70 K C 2.494 178.950 176.600 -0.240 0.000 1.049 70 K CA 1.351 57.499 56.287 -0.231 0.000 0.932 70 K CB -0.489 31.914 32.500 -0.161 0.000 0.717 70 K HN 0.308 nan 8.250 nan 0.000 0.441 71 K N -0.109 120.124 120.400 -0.278 0.000 2.063 71 K HA -0.160 4.167 4.320 0.013 0.000 0.208 71 K C 2.363 178.909 176.600 -0.090 0.000 1.048 71 K CA 1.459 57.632 56.287 -0.190 0.000 0.928 71 K CB -0.330 31.986 32.500 -0.306 0.000 0.713 71 K HN 0.080 nan 8.250 nan 0.000 0.442 72 Y N 1.181 121.285 120.300 -0.328 0.000 2.097 72 Y HA -0.212 4.345 4.550 0.013 0.000 0.282 72 Y C 2.899 178.593 175.900 -0.343 0.000 1.152 72 Y CA 0.662 58.591 58.100 -0.285 0.000 1.136 72 Y CB -1.165 37.132 38.460 -0.272 0.000 0.975 72 Y HN 0.060 nan 8.280 nan 0.000 0.498 73 S N -0.273 115.137 115.700 -0.483 0.000 2.353 73 S HA -0.222 4.256 4.470 0.013 0.000 0.222 73 S C 2.352 176.859 174.600 -0.155 0.000 1.035 73 S CA 1.402 59.280 58.200 -0.537 0.000 1.025 73 S CB -0.623 62.200 63.200 -0.628 0.000 0.902 73 S HN 0.459 nan 8.310 nan 0.000 0.440 74 A N 1.447 124.203 122.820 -0.106 0.000 1.883 74 A HA -0.084 4.244 4.320 0.013 0.000 0.217 74 A C 2.172 179.779 177.584 0.038 0.000 1.186 74 A CA 1.854 53.879 52.037 -0.021 0.000 0.624 74 A CB -1.074 17.917 19.000 -0.014 0.000 0.822 74 A HN 0.577 nan 8.150 nan 0.000 0.444 75 L N -0.091 121.178 121.223 0.078 0.000 2.079 75 L HA -0.141 4.207 4.340 0.013 0.000 0.210 75 L C 2.204 179.151 176.870 0.127 0.000 1.081 75 L CA 1.801 56.718 54.840 0.129 0.000 0.752 75 L CB -0.401 41.788 42.059 0.217 0.000 0.896 75 L HN 0.459 nan 8.230 nan 0.000 0.433 76 I N -0.846 119.800 120.570 0.127 0.000 2.252 76 I HA -0.237 3.941 4.170 0.013 0.000 0.245 76 I C 2.365 178.567 176.117 0.143 0.000 1.102 76 I CA 1.175 62.577 61.300 0.170 0.000 1.385 76 I CB -0.299 37.851 38.000 0.250 0.000 1.064 76 I HN 0.350 nan 8.210 nan 0.000 0.414 77 E N 0.478 120.741 120.200 0.105 0.000 2.106 77 E HA -0.271 4.087 4.350 0.013 0.000 0.192 77 E C 2.030 178.680 176.600 0.083 0.000 0.984 77 E CA 1.066 57.518 56.400 0.086 0.000 0.806 77 E CB -0.087 29.647 29.700 0.056 0.000 0.750 77 E HN 0.463 nan 8.360 nan 0.000 0.458 78 E N 0.948 121.194 120.200 0.077 0.000 2.077 78 E HA -0.200 4.157 4.350 0.013 0.000 0.193 78 E C 2.107 178.758 176.600 0.084 0.000 0.989 78 E CA 0.848 57.290 56.400 0.069 0.000 0.800 78 E CB -0.016 29.721 29.700 0.061 0.000 0.746 78 E HN 0.224 nan 8.360 nan 0.000 0.452 79 I N 0.780 121.415 120.570 0.109 0.000 2.226 79 I HA -0.281 3.897 4.170 0.013 0.000 0.245 79 I C 2.527 178.772 176.117 0.213 0.000 1.100 79 I CA 1.143 62.522 61.300 0.132 0.000 1.374 79 I CB -0.226 37.868 38.000 0.156 0.000 1.057 79 I HN 0.185 nan 8.210 nan 0.000 0.413 80 Q N 0.076 119.995 119.800 0.197 0.000 2.291 80 Q HA -0.232 4.116 4.340 0.013 0.000 0.206 80 Q C 2.117 178.247 176.000 0.217 0.000 0.976 80 Q CA 1.240 57.173 55.803 0.216 0.000 0.875 80 Q CB 0.024 28.806 28.738 0.072 0.000 0.927 80 Q HN 0.615 nan 8.270 nan 0.000 0.450 81 Q N -0.417 119.465 119.800 0.138 0.000 2.200 81 Q HA -0.021 4.326 4.340 0.013 0.000 0.197 81 Q C 1.561 177.604 176.000 0.071 0.000 0.953 81 Q CA 0.688 56.548 55.803 0.094 0.000 0.851 81 Q CB 0.239 29.013 28.738 0.060 0.000 0.938 81 Q HN 0.321 nan 8.270 nan 0.000 0.488 82 N N 1.062 119.791 118.700 0.048 0.000 2.270 82 N HA 0.003 4.751 4.740 0.013 0.000 0.181 82 N C 0.081 175.556 175.510 -0.059 0.000 1.016 82 N CA 0.694 53.743 53.050 -0.002 0.000 0.870 82 N CB -0.138 38.344 38.487 -0.008 0.000 0.979 82 N HN 0.130 nan 8.380 nan 0.000 0.431 83 A N 0.403 123.166 122.820 -0.096 0.000 2.450 83 A HA 0.273 4.601 4.320 0.013 0.000 0.255 83 A C 1.357 178.716 177.584 -0.375 0.000 1.096 83 A CA 0.029 51.861 52.037 -0.341 0.000 0.778 83 A CB 0.137 18.734 19.000 -0.672 0.000 1.031 83 A HN 0.390 nan 8.150 nan 0.000 0.494 84 T N -0.650 113.698 114.554 -0.343 0.000 3.009 84 T HA 0.133 4.490 4.350 0.013 0.000 0.258 84 T C 0.701 175.227 174.700 -0.290 0.000 1.063 84 T CA 1.126 63.089 62.100 -0.229 0.000 1.139 84 T CB -0.434 68.344 68.868 -0.149 0.000 0.890 84 T HN 0.901 nan 8.240 nan 0.000 0.471 85 T N 0.244 114.522 114.554 -0.459 0.000 2.861 85 T HA 0.677 5.035 4.350 0.013 0.000 0.287 85 T C -1.194 173.162 174.700 -0.575 0.000 1.003 85 T CA -0.853 61.026 62.100 -0.368 0.000 0.977 85 T CB 1.391 70.135 68.868 -0.207 0.000 0.996 85 T HN 0.094 nan 8.240 nan 0.000 0.448 86 F N 2.224 122.145 119.950 -0.050 0.000 2.531 86 F HA 0.342 4.877 4.527 0.013 0.000 0.333 86 F C -0.041 175.781 175.800 0.036 0.000 1.292 86 F CA -1.162 56.823 58.000 -0.025 0.000 1.184 86 F CB 0.377 39.354 39.000 -0.038 0.000 1.426 86 F HN 0.683 nan 8.300 nan 0.000 0.559 87 D N -0.887 119.616 120.400 0.172 0.000 2.272 87 D HA 0.743 5.391 4.640 0.013 0.000 0.247 87 D C 0.863 177.292 176.300 0.215 0.000 0.990 87 D CA -0.304 53.793 54.000 0.163 0.000 0.931 87 D CB 1.678 42.532 40.800 0.090 0.000 1.195 87 D HN 0.532 nan 8.370 nan 0.000 0.477 88 G N 1.351 110.238 108.800 0.145 0.000 2.550 88 G HA2 -0.396 3.572 3.960 0.013 0.000 0.277 88 G HA3 -0.396 3.572 3.960 0.013 0.000 0.277 88 G C 0.719 175.674 174.900 0.092 0.000 1.190 88 G CA 0.411 45.576 45.100 0.109 0.000 0.971 88 G HN 0.940 nan 8.290 nan 0.000 0.559 89 K N 0.092 120.486 120.400 -0.010 0.000 2.585 89 K HA 0.065 4.393 4.320 0.013 0.000 0.194 89 K C 1.596 178.141 176.600 -0.091 0.000 1.037 89 K CA 2.062 58.282 56.287 -0.112 0.000 0.964 89 K CB -0.122 32.217 32.500 -0.270 0.000 0.787 89 K HN 0.577 nan 8.250 nan 0.000 0.488 90 Y N 0.301 120.678 120.300 0.127 0.000 2.458 90 Y HA 0.316 4.873 4.550 0.013 0.000 0.256 90 Y C 2.377 178.281 175.900 0.007 0.000 1.159 90 Y CA -0.033 58.101 58.100 0.056 0.000 1.261 90 Y CB 0.266 38.753 38.460 0.045 0.000 1.119 90 Y HN 0.150 nan 8.280 nan 0.000 0.524 91 A N 0.949 123.899 122.820 0.216 0.000 1.908 91 A HA -0.256 4.072 4.320 0.013 0.000 0.218 91 A C 2.007 179.599 177.584 0.013 0.000 1.181 91 A CA 2.035 54.152 52.037 0.133 0.000 0.627 91 A CB -1.384 17.695 19.000 0.132 0.000 0.818 91 A HN 0.617 nan 8.150 nan 0.000 0.445 92 F N -0.139 119.791 119.950 -0.034 0.000 2.202 92 F HA -0.134 4.400 4.527 0.013 0.000 0.301 92 F C 1.636 177.388 175.800 -0.080 0.000 1.082 92 F CA 1.378 59.341 58.000 -0.061 0.000 1.313 92 F CB -0.900 38.044 39.000 -0.093 0.000 1.024 92 F HN 0.113 nan 8.300 nan 0.000 0.495 93 L N 0.467 120.965 121.223 -1.208 0.000 2.187 93 L HA -0.208 4.139 4.340 0.013 0.000 0.213 93 L C 2.762 179.213 176.870 -0.699 0.000 1.100 93 L CA 1.656 55.932 54.840 -0.940 0.000 0.765 93 L CB -0.665 40.952 42.059 -0.736 0.000 0.904 93 L HN 0.260 nan 8.230 nan 0.000 0.437 94 K N -0.206 119.643 120.400 -0.917 0.000 2.103 94 K HA -0.171 4.157 4.320 0.013 0.000 0.207 94 K C 1.277 177.607 176.600 -0.450 0.000 1.048 94 K CA 1.818 57.464 56.287 -1.069 0.000 0.930 94 K CB 0.077 32.107 32.500 -0.783 0.000 0.716 94 K HN 0.399 nan 8.250 nan 0.000 0.444 95 T N -2.849 111.564 114.554 -0.235 0.000 3.288 95 T HA 0.102 4.460 4.350 0.013 0.000 0.293 95 T C -0.270 174.437 174.700 0.011 0.000 1.008 95 T CA -0.724 61.322 62.100 -0.089 0.000 0.929 95 T CB -0.369 68.463 68.868 -0.060 0.000 1.152 95 T HN 0.149 nan 8.240 nan 0.000 0.517 96 Y N 2.821 123.085 120.300 -0.059 0.000 2.526 96 Y HA 0.450 5.008 4.550 0.013 0.000 0.330 96 Y C -0.033 175.925 175.900 0.097 0.000 1.156 96 Y CA -0.440 57.703 58.100 0.072 0.000 1.419 96 Y CB 0.462 39.007 38.460 0.142 0.000 1.250 96 Y HN 0.198 nan 8.280 nan 0.000 0.540 97 N N 5.582 123.993 118.700 -0.481 0.000 2.479 97 N HA 0.090 4.837 4.740 0.013 0.000 0.261 97 N C -1.838 173.440 175.510 -0.388 0.000 0.979 97 N CA -0.570 52.322 53.050 -0.262 0.000 0.930 97 N CB 0.127 38.512 38.487 -0.170 0.000 1.172 97 N HN 0.614 nan 8.380 nan 0.000 0.499 98 Y N 3.141 123.372 120.300 -0.116 0.000 2.697 98 Y HA 0.086 4.644 4.550 0.013 0.000 0.349 98 Y C 0.720 176.607 175.900 -0.021 0.000 1.120 98 Y CA 0.624 58.761 58.100 0.063 0.000 1.468 98 Y CB 0.290 38.879 38.460 0.215 0.000 1.182 98 Y HN 0.578 nan 8.280 nan 0.000 0.525 99 S N 5.190 120.687 115.700 -0.338 0.000 2.941 99 S HA 0.328 4.805 4.470 0.013 0.000 0.251 99 S C -0.426 173.974 174.600 -0.334 0.000 1.029 99 S CA -0.617 57.442 58.200 -0.236 0.000 1.062 99 S CB -0.583 62.521 63.200 -0.159 0.000 0.977 99 S HN 0.529 nan 8.310 nan 0.000 0.552 100 L N 2.040 122.903 121.223 -0.600 0.000 2.439 100 L HA 0.519 4.866 4.340 0.013 0.000 0.269 100 L C 1.498 178.086 176.870 -0.470 0.000 1.179 100 L CA -0.249 54.316 54.840 -0.457 0.000 0.828 100 L CB 0.348 42.157 42.059 -0.417 0.000 1.106 100 L HN 0.464 nan 8.230 nan 0.000 0.467 101 G N 1.211 109.428 108.800 -0.971 0.000 2.485 101 G HA2 0.584 4.552 3.960 0.013 0.000 0.260 101 G HA3 0.584 4.552 3.960 0.013 0.000 0.260 101 G C -0.816 173.812 174.900 -0.454 0.000 1.459 101 G CA 0.198 44.750 45.100 -0.912 0.000 1.060 101 G HN 0.811 nan 8.290 nan 0.000 0.546 102 A N -2.535 120.158 122.820 -0.212 0.000 2.549 102 A HA 0.605 4.933 4.320 0.013 0.000 0.297 102 A C 0.321 177.966 177.584 0.103 0.000 1.061 102 A CA 0.440 52.478 52.037 0.001 0.000 0.690 102 A CB 1.066 20.046 19.000 -0.033 0.000 1.287 102 A HN 0.712 nan 8.150 nan 0.000 0.402 103 D N -0.296 120.169 120.400 0.109 0.000 3.110 103 D HA -0.187 4.461 4.640 0.013 0.000 0.175 103 D C 0.024 176.381 176.300 0.096 0.000 1.727 103 D CA 2.468 56.522 54.000 0.091 0.000 1.964 103 D CB -0.935 39.894 40.800 0.049 0.000 1.348 103 D HN 0.747 nan 8.370 nan 0.000 0.416 104 D N 0.606 121.108 120.400 0.169 0.000 2.360 104 D HA 0.262 4.910 4.640 0.013 0.000 0.242 104 D C 0.632 176.946 176.300 0.024 0.000 1.184 104 D CA -0.452 53.623 54.000 0.126 0.000 0.930 104 D CB 0.564 41.483 40.800 0.197 0.000 1.161 104 D HN 0.016 nan 8.370 nan 0.000 0.447 105 L N 1.346 122.542 121.223 -0.046 0.000 2.453 105 L HA 0.106 4.454 4.340 0.013 0.000 0.272 105 L C 0.899 177.657 176.870 -0.188 0.000 1.182 105 L CA 0.272 55.037 54.840 -0.124 0.000 0.858 105 L CB 0.427 42.439 42.059 -0.078 0.000 1.120 105 L HN 0.454 nan 8.230 nan 0.000 0.474 106 T N 1.785 116.139 114.554 -0.333 0.000 2.874 106 T HA 0.419 4.776 4.350 0.013 0.000 0.281 106 T C -1.879 172.758 174.700 -0.105 0.000 0.994 106 T CA -1.587 60.282 62.100 -0.386 0.000 1.015 106 T CB 0.989 69.552 68.868 -0.507 0.000 1.028 106 T HN 0.489 nan 8.240 nan 0.000 0.523 107 P HA -0.057 nan 4.420 nan 0.000 0.216 107 P C 1.195 178.538 177.300 0.071 0.000 1.150 107 P CA 0.690 63.818 63.100 0.047 0.000 0.843 107 P CB -0.132 31.621 31.700 0.088 0.000 0.787 108 F N 0.625 120.555 119.950 -0.033 0.000 2.134 108 F HA -0.065 4.470 4.527 0.014 0.000 0.299 108 F C 2.183 177.975 175.800 -0.015 0.000 1.097 108 F CA 2.010 60.008 58.000 -0.002 0.000 1.264 108 F CB -1.105 37.892 39.000 -0.005 0.000 1.001 108 F HN -0.147 nan 8.300 nan 0.000 0.479 109 G N -0.233 108.483 108.800 -0.139 0.000 2.422 109 G HA2 -0.232 3.736 3.960 0.013 0.000 0.218 109 G HA3 -0.232 3.736 3.960 0.013 0.000 0.218 109 G C 1.517 176.315 174.900 -0.169 0.000 1.146 109 G CA 0.866 45.835 45.100 -0.218 0.000 0.769 109 G HN 0.479 nan 8.290 nan 0.000 0.547 110 E N -0.272 119.861 120.200 -0.112 0.000 2.051 110 E HA -0.174 4.183 4.350 0.013 0.000 0.192 110 E C 2.493 179.044 176.600 -0.082 0.000 0.991 110 E CA 1.147 57.505 56.400 -0.071 0.000 0.799 110 E CB -0.118 29.559 29.700 -0.039 0.000 0.748 110 E HN 0.360 nan 8.360 nan 0.000 0.449 111 Q N 1.358 121.089 119.800 -0.114 0.000 2.084 111 Q HA -0.193 4.155 4.340 0.013 0.000 0.202 111 Q C 1.655 177.569 176.000 -0.143 0.000 0.978 111 Q CA 1.589 57.328 55.803 -0.107 0.000 0.844 111 Q CB -0.020 28.666 28.738 -0.086 0.000 0.898 111 Q HN 0.285 nan 8.270 nan 0.000 0.426 112 E N -0.662 119.374 120.200 -0.273 0.000 2.085 112 E HA -0.184 4.173 4.350 0.013 0.000 0.194 112 E C 1.731 178.300 176.600 -0.051 0.000 0.994 112 E CA 1.072 57.353 56.400 -0.198 0.000 0.801 112 E CB -0.087 29.457 29.700 -0.259 0.000 0.743 112 E HN 0.311 nan 8.360 nan 0.000 0.453 113 L N 0.480 121.692 121.223 -0.018 0.000 2.109 113 L HA -0.107 4.240 4.340 0.013 0.000 0.207 113 L C 2.446 179.360 176.870 0.074 0.000 1.086 113 L CA 0.922 55.816 54.840 0.089 0.000 0.760 113 L CB -0.738 41.378 42.059 0.096 0.000 0.910 113 L HN 0.093 nan 8.230 nan 0.000 0.437 114 V N 0.505 120.422 119.914 0.006 0.000 2.287 114 V HA -0.294 3.834 4.120 0.013 0.000 0.248 114 V C 2.304 178.379 176.094 -0.032 0.000 1.053 114 V CA 1.745 64.032 62.300 -0.022 0.000 1.027 114 V CB -0.639 31.169 31.823 -0.024 0.000 0.646 114 V HN 0.457 nan 8.190 nan 0.000 0.447 115 N N -0.100 118.594 118.700 -0.010 0.000 2.104 115 N HA -0.158 4.589 4.740 0.013 0.000 0.190 115 N C 2.113 177.635 175.510 0.021 0.000 1.024 115 N CA 1.769 54.826 53.050 0.012 0.000 0.853 115 N CB -0.589 37.921 38.487 0.038 0.000 1.008 115 N HN 0.428 nan 8.380 nan 0.000 0.424 116 S N -0.354 115.365 115.700 0.032 0.000 2.382 116 S HA -0.047 4.430 4.470 0.013 0.000 0.228 116 S C 1.980 176.601 174.600 0.035 0.000 1.027 116 S CA 1.470 59.731 58.200 0.103 0.000 0.991 116 S CB -0.638 62.688 63.200 0.209 0.000 0.823 116 S HN 0.479 nan 8.310 nan 0.000 0.469 117 G N 1.365 109.974 108.800 -0.319 0.000 2.418 117 G HA2 -0.104 3.864 3.960 0.013 0.000 0.217 117 G HA3 -0.104 3.864 3.960 0.013 0.000 0.217 117 G C 1.402 176.198 174.900 -0.173 0.000 1.158 117 G CA 0.854 45.441 45.100 -0.855 0.000 0.771 117 G HN 0.564 nan 8.290 nan 0.000 0.545 118 I N 0.333 120.859 120.570 -0.072 0.000 2.179 118 I HA -0.160 4.018 4.170 0.013 0.000 0.242 118 I C 2.702 178.867 176.117 0.080 0.000 1.088 118 I CA 1.561 62.857 61.300 -0.006 0.000 1.357 118 I CB -0.159 37.830 38.000 -0.017 0.000 1.051 118 I HN 0.151 nan 8.210 nan 0.000 0.409 119 K N 0.629 121.092 120.400 0.104 0.000 2.057 119 K HA -0.224 4.104 4.320 0.013 0.000 0.206 119 K C 2.193 178.900 176.600 0.179 0.000 1.050 119 K CA 1.476 57.844 56.287 0.135 0.000 0.935 119 K CB -0.198 32.400 32.500 0.163 0.000 0.715 119 K HN 0.126 nan 8.250 nan 0.000 0.439 120 F N 0.442 120.486 119.950 0.158 0.000 2.134 120 F HA -0.204 4.330 4.527 0.011 0.000 0.299 120 F C 2.024 177.960 175.800 0.227 0.000 1.097 120 F CA 1.450 59.593 58.000 0.238 0.000 1.264 120 F CB -0.546 38.735 39.000 0.467 0.000 1.001 120 F HN 0.120 nan 8.300 nan 0.000 0.479 121 Y N 1.178 121.573 120.300 0.158 0.000 2.114 121 Y HA -0.283 4.274 4.550 0.011 0.000 0.284 121 Y C 2.522 178.305 175.900 -0.195 0.000 1.143 121 Y CA 2.365 60.396 58.100 -0.116 0.000 1.135 121 Y CB -0.699 37.515 38.460 -0.409 0.000 0.980 121 Y HN 0.192 nan 8.280 nan 0.000 0.499 122 Q N -0.279 119.510 119.800 -0.019 0.000 2.084 122 Q HA -0.226 4.121 4.340 0.013 0.000 0.202 122 Q C 2.426 178.259 176.000 -0.277 0.000 0.978 122 Q CA 1.674 57.420 55.803 -0.095 0.000 0.844 122 Q CB -0.298 28.436 28.738 -0.007 0.000 0.898 122 Q HN 0.449 nan 8.270 nan 0.000 0.426 123 R N -0.020 120.254 120.500 -0.376 0.000 2.096 123 R HA -0.153 4.195 4.340 0.013 0.000 0.235 123 R C 0.396 176.173 176.300 -0.871 0.000 1.127 123 R CA 1.258 56.972 56.100 -0.643 0.000 0.968 123 R CB 0.143 29.934 30.300 -0.848 0.000 0.861 123 R HN 0.257 nan 8.270 nan 0.000 0.440 124 Y N 0.380 120.390 120.300 -0.483 0.000 2.751 124 Y HA 0.202 4.760 4.550 0.013 0.000 0.289 124 Y C 1.226 176.839 175.900 -0.479 0.000 1.110 124 Y CA -0.653 57.163 58.100 -0.474 0.000 1.251 124 Y CB 0.300 38.388 38.460 -0.620 0.000 1.178 124 Y HN 0.089 nan 8.280 nan 0.000 0.540 125 E N 1.084 121.035 120.200 -0.415 0.000 2.136 125 E HA -0.277 4.080 4.350 0.013 0.000 0.202 125 E C 1.978 178.406 176.600 -0.287 0.000 1.019 125 E CA 2.104 58.219 56.400 -0.475 0.000 0.819 125 E CB 0.128 29.647 29.700 -0.303 0.000 0.739 125 E HN 0.561 nan 8.360 nan 0.000 0.458 126 S N -0.292 115.304 115.700 -0.174 0.000 2.419 126 S HA -0.119 4.359 4.470 0.013 0.000 0.235 126 S C 2.196 176.741 174.600 -0.091 0.000 1.019 126 S CA 1.097 59.234 58.200 -0.105 0.000 0.982 126 S CB -0.287 62.871 63.200 -0.069 0.000 0.789 126 S HN 0.277 nan 8.310 nan 0.000 0.490 127 L N 1.193 122.349 121.223 -0.111 0.000 2.269 127 L HA 0.049 4.396 4.340 0.013 0.000 0.200 127 L C 3.055 179.879 176.870 -0.078 0.000 1.069 127 L CA 1.228 56.017 54.840 -0.085 0.000 0.804 127 L CB -1.096 40.905 42.059 -0.097 0.000 0.987 127 L HN 0.463 nan 8.230 nan 0.000 0.468 128 T N -1.284 113.176 114.554 -0.157 0.000 2.929 128 T HA -0.218 4.140 4.350 0.013 0.000 0.271 128 T C 1.819 176.510 174.700 -0.014 0.000 1.085 128 T CA 1.191 63.240 62.100 -0.085 0.000 1.125 128 T CB -0.500 68.092 68.868 -0.460 0.000 0.874 128 T HN 0.409 nan 8.240 nan 0.000 0.494 129 R N 2.618 123.060 120.500 -0.096 0.000 2.193 129 R HA -0.038 4.310 4.340 0.013 0.000 0.229 129 R C 0.982 177.327 176.300 0.075 0.000 1.110 129 R CA 1.709 57.843 56.100 0.057 0.000 0.988 129 R CB -0.616 29.693 30.300 0.015 0.000 0.871 129 R HN 0.664 nan 8.270 nan 0.000 0.458 130 N N -0.279 118.452 118.700 0.053 0.000 2.301 130 N HA 0.254 5.002 4.740 0.013 0.000 0.247 130 N C -0.808 174.736 175.510 0.056 0.000 1.347 130 N CA -0.423 52.660 53.050 0.054 0.000 0.844 130 N CB 0.430 38.934 38.487 0.028 0.000 1.332 130 N HN 0.155 nan 8.380 nan 0.000 0.494 131 I N 0.385 121.005 120.570 0.083 0.000 2.545 131 I HA 0.424 4.601 4.170 0.013 0.000 0.292 131 I C -0.737 175.459 176.117 0.131 0.000 1.040 131 I CA -1.359 59.980 61.300 0.065 0.000 1.068 131 I CB 2.737 40.745 38.000 0.013 0.000 1.251 131 I HN -0.233 nan 8.210 nan 0.000 0.424 132 V N 7.153 127.119 119.914 0.087 0.000 2.383 132 V HA 0.315 4.443 4.120 0.013 0.000 0.275 132 V C -2.096 174.000 176.094 0.003 0.000 1.036 132 V CA -1.601 60.756 62.300 0.095 0.000 0.889 132 V CB 0.909 32.778 31.823 0.077 0.000 0.985 132 V HN 0.563 nan 8.190 nan 0.000 0.459 133 P HA 0.148 nan 4.420 nan 0.000 0.269 133 P C -0.848 176.399 177.300 -0.089 0.000 1.215 133 P CA -0.203 62.815 63.100 -0.136 0.000 0.780 133 P CB 0.359 31.931 31.700 -0.213 0.000 0.898 134 F N 3.358 123.153 119.950 -0.259 0.000 2.405 134 F HA 0.498 5.028 4.527 0.006 0.000 0.355 134 F C -0.527 175.247 175.800 -0.042 0.000 1.121 134 F CA -0.485 57.434 58.000 -0.135 0.000 1.112 134 F CB 0.244 39.161 39.000 -0.138 0.000 1.126 134 F HN 0.110 nan 8.300 nan 0.000 0.481 135 I N 6.776 126.997 120.570 -0.581 0.000 2.474 135 I HA 0.526 4.703 4.170 0.013 0.000 0.294 135 I C -0.547 175.341 176.117 -0.382 0.000 1.005 135 I CA -0.855 60.245 61.300 -0.334 0.000 1.113 135 I CB 1.965 39.866 38.000 -0.165 0.000 1.289 135 I HN 0.543 nan 8.210 nan 0.000 0.436 136 R N 3.132 123.567 120.500 -0.108 0.000 2.744 136 R HA 0.719 5.066 4.340 0.013 0.000 0.279 136 R C -1.141 175.221 176.300 0.103 0.000 0.977 136 R CA -0.819 55.270 56.100 -0.018 0.000 0.906 136 R CB 2.456 32.807 30.300 0.085 0.000 1.197 136 R HN 0.624 nan 8.270 nan 0.000 0.463 137 S N 0.368 116.118 115.700 0.084 0.000 2.546 137 S HA 0.323 4.801 4.470 0.013 0.000 0.274 137 S C -0.893 173.757 174.600 0.084 0.000 1.121 137 S CA -0.536 57.731 58.200 0.111 0.000 0.887 137 S CB 1.968 65.192 63.200 0.039 0.000 1.094 137 S HN 0.506 nan 8.310 nan 0.000 0.474 138 S N 2.156 117.910 115.700 0.090 0.000 2.576 138 S HA 0.472 4.950 4.470 0.013 0.000 0.276 138 S C 0.891 175.551 174.600 0.099 0.000 1.339 138 S CA 0.033 58.299 58.200 0.110 0.000 1.039 138 S CB 0.293 63.584 63.200 0.152 0.000 0.902 138 S HN 1.035 nan 8.310 nan 0.000 0.516 139 G N 2.536 111.400 108.800 0.106 0.000 3.102 139 G HA2 0.349 4.316 3.960 0.013 0.000 0.264 139 G HA3 0.349 4.316 3.960 0.013 0.000 0.264 139 G C -0.157 174.803 174.900 0.101 0.000 0.788 139 G CA -0.179 44.971 45.100 0.084 0.000 2.029 139 G HN 0.587 nan 8.290 nan 0.000 0.608 140 S N 0.139 115.901 115.700 0.103 0.000 2.557 140 S HA 0.447 4.925 4.470 0.013 0.000 0.291 140 S C 1.512 176.138 174.600 0.044 0.000 1.116 140 S CA -0.256 58.013 58.200 0.114 0.000 0.992 140 S CB 1.485 64.832 63.200 0.246 0.000 1.028 140 S HN 0.275 nan 8.310 nan 0.000 0.484 141 S N 4.561 120.278 115.700 0.029 0.000 2.372 141 S HA -0.247 4.231 4.470 0.013 0.000 0.227 141 S C 1.958 176.541 174.600 -0.028 0.000 1.044 141 S CA 1.880 60.081 58.200 0.000 0.000 1.050 141 S CB -0.510 62.694 63.200 0.007 0.000 0.901 141 S HN 0.900 nan 8.310 nan 0.000 0.447 142 R N 1.124 121.595 120.500 -0.048 0.000 2.148 142 R HA 0.034 4.381 4.340 0.013 0.000 0.227 142 R C 1.833 178.078 176.300 -0.092 0.000 1.103 142 R CA 1.195 57.230 56.100 -0.108 0.000 0.983 142 R CB -0.755 29.406 30.300 -0.231 0.000 0.874 142 R HN 0.315 nan 8.270 nan 0.000 0.451 143 V N 1.546 121.419 119.914 -0.069 0.000 2.346 143 V HA -0.127 4.000 4.120 0.013 0.000 0.244 143 V C 2.419 178.464 176.094 -0.083 0.000 1.037 143 V CA 1.380 63.663 62.300 -0.030 0.000 1.029 143 V CB -0.360 31.424 31.823 -0.066 0.000 0.663 143 V HN 0.223 nan 8.190 nan 0.000 0.454 144 I N 0.867 121.391 120.570 -0.077 0.000 2.208 144 I HA -0.271 3.906 4.170 0.013 0.000 0.245 144 I C 2.669 178.696 176.117 -0.149 0.000 1.097 144 I CA 1.669 62.903 61.300 -0.111 0.000 1.363 144 I CB -0.538 37.427 38.000 -0.059 0.000 1.051 144 I HN 0.292 nan 8.210 nan 0.000 0.413 145 A N -0.196 122.561 122.820 -0.105 0.000 1.933 145 A HA -0.183 4.145 4.320 0.013 0.000 0.218 145 A C 2.464 179.972 177.584 -0.128 0.000 1.175 145 A CA 2.092 54.072 52.037 -0.095 0.000 0.628 145 A CB -0.626 18.339 19.000 -0.059 0.000 0.814 145 A HN 0.395 nan 8.150 nan 0.000 0.444 146 S N -0.377 115.238 115.700 -0.142 0.000 2.383 146 S HA -0.035 4.443 4.470 0.013 0.000 0.227 146 S C 2.076 176.430 174.600 -0.409 0.000 1.026 146 S CA 1.008 59.118 58.200 -0.150 0.000 0.981 146 S CB -0.599 62.589 63.200 -0.019 0.000 0.818 146 S HN 0.761 nan 8.310 nan 0.000 0.472 147 G N 1.861 110.218 108.800 -0.740 0.000 2.421 147 G HA2 -0.206 3.762 3.960 0.013 0.000 0.216 147 G HA3 -0.206 3.762 3.960 0.013 0.000 0.216 147 G C 1.393 175.980 174.900 -0.522 0.000 1.171 147 G CA 0.705 45.046 45.100 -1.265 0.000 0.775 147 G HN 0.432 nan 8.290 nan 0.000 0.543 148 K N 0.158 120.385 120.400 -0.288 0.000 2.097 148 K HA -0.042 4.286 4.320 0.013 0.000 0.206 148 K C 2.538 179.099 176.600 -0.066 0.000 1.049 148 K CA 0.965 57.171 56.287 -0.135 0.000 0.933 148 K CB -0.010 32.430 32.500 -0.100 0.000 0.717 148 K HN 0.062 nan 8.250 nan 0.000 0.442 149 K N 0.444 120.805 120.400 -0.064 0.000 2.103 149 K HA -0.099 4.229 4.320 0.013 0.000 0.204 149 K C 1.880 178.507 176.600 0.044 0.000 1.052 149 K CA 0.996 57.275 56.287 -0.013 0.000 0.945 149 K CB -0.495 31.995 32.500 -0.018 0.000 0.722 149 K HN 0.129 nan 8.250 nan 0.000 0.443 150 F N 1.912 121.807 119.950 -0.092 0.000 2.102 150 F HA -0.131 4.402 4.527 0.011 0.000 0.298 150 F C 2.024 177.866 175.800 0.069 0.000 1.105 150 F CA 1.178 59.187 58.000 0.015 0.000 1.239 150 F CB -0.212 38.818 39.000 0.050 0.000 0.991 150 F HN -0.139 nan 8.300 nan 0.000 0.474 151 I N 0.228 120.939 120.570 0.234 0.000 2.208 151 I HA -0.304 3.874 4.170 0.013 0.000 0.245 151 I C 2.494 178.679 176.117 0.113 0.000 1.097 151 I CA 1.799 63.202 61.300 0.173 0.000 1.363 151 I CB -0.574 37.477 38.000 0.084 0.000 1.051 151 I HN 0.296 nan 8.210 nan 0.000 0.413 152 E N 0.901 121.129 120.200 0.046 0.000 2.038 152 E HA -0.214 4.143 4.350 0.013 0.000 0.195 152 E C 2.268 178.862 176.600 -0.011 0.000 1.000 152 E CA 1.504 57.913 56.400 0.014 0.000 0.803 152 E CB -0.289 29.408 29.700 -0.005 0.000 0.750 152 E HN 0.507 nan 8.360 nan 0.000 0.448 153 G N 0.405 109.180 108.800 -0.040 0.000 2.446 153 G HA2 -0.308 3.660 3.960 0.013 0.000 0.217 153 G HA3 -0.308 3.660 3.960 0.013 0.000 0.217 153 G C 1.387 176.233 174.900 -0.091 0.000 1.168 153 G CA 0.785 45.837 45.100 -0.080 0.000 0.771 153 G HN 0.381 nan 8.290 nan 0.000 0.551 154 F N 1.136 120.942 119.950 -0.240 0.000 2.102 154 F HA -0.104 4.430 4.527 0.010 0.000 0.298 154 F C 2.804 178.517 175.800 -0.144 0.000 1.105 154 F CA 2.192 60.104 58.000 -0.146 0.000 1.239 154 F CB -0.179 38.758 39.000 -0.105 0.000 0.991 154 F HN 0.211 nan 8.300 nan 0.000 0.474 155 Q N 0.381 120.234 119.800 0.089 0.000 2.119 155 Q HA -0.114 4.233 4.340 0.013 0.000 0.201 155 Q C 2.247 178.124 176.000 -0.206 0.000 0.972 155 Q CA 2.056 57.837 55.803 -0.036 0.000 0.847 155 Q CB -0.533 28.264 28.738 0.099 0.000 0.903 155 Q HN 0.399 nan 8.270 nan 0.000 0.433 156 S N -0.624 114.976 115.700 -0.166 0.000 2.400 156 S HA -0.135 4.342 4.470 0.013 0.000 0.232 156 S C 1.779 176.216 174.600 -0.272 0.000 1.025 156 S CA 1.561 59.656 58.200 -0.174 0.000 0.993 156 S CB -0.400 62.729 63.200 -0.117 0.000 0.808 156 S HN 0.530 nan 8.310 nan 0.000 0.478 157 T N 1.441 115.742 114.554 -0.421 0.000 2.896 157 T HA 0.015 4.373 4.350 0.013 0.000 0.263 157 T C 1.768 175.955 174.700 -0.855 0.000 1.050 157 T CA 0.948 62.711 62.100 -0.562 0.000 1.140 157 T CB -0.096 68.409 68.868 -0.605 0.000 0.877 157 T HN 0.371 nan 8.240 nan 0.000 0.457 158 K N 1.018 120.744 120.400 -1.124 0.000 2.097 158 K HA 0.038 4.365 4.320 0.013 0.000 0.206 158 K C 2.098 178.470 176.600 -0.381 0.000 1.049 158 K CA 0.913 56.645 56.287 -0.925 0.000 0.933 158 K CB -0.300 31.805 32.500 -0.658 0.000 0.717 158 K HN 0.275 nan 8.250 nan 0.000 0.442 159 L N 0.591 121.643 121.223 -0.287 0.000 2.131 159 L HA -0.160 4.188 4.340 0.013 0.000 0.210 159 L C 1.752 178.538 176.870 -0.139 0.000 1.092 159 L CA 1.298 56.042 54.840 -0.160 0.000 0.759 159 L CB -0.194 41.791 42.059 -0.123 0.000 0.903 159 L HN 0.108 nan 8.230 nan 0.000 0.435 160 K N -0.772 119.523 120.400 -0.175 0.000 2.444 160 K HA 0.011 4.338 4.320 0.013 0.000 0.193 160 K C 0.028 176.566 176.600 -0.104 0.000 1.024 160 K CA -0.069 56.143 56.287 -0.125 0.000 1.077 160 K CB 0.013 32.438 32.500 -0.125 0.000 0.833 160 K HN 0.038 nan 8.250 nan 0.000 0.517 161 D N 1.122 121.453 120.400 -0.114 0.000 2.359 161 D HA 0.115 4.763 4.640 0.013 0.000 0.230 161 D C -1.916 174.370 176.300 -0.023 0.000 1.118 161 D CA -2.586 51.388 54.000 -0.044 0.000 0.844 161 D CB 1.655 42.466 40.800 0.018 0.000 1.059 161 D HN -0.189 nan 8.370 nan 0.000 0.493 162 P HA -0.087 nan 4.420 nan 0.000 0.217 162 P C 0.718 178.015 177.300 -0.005 0.000 1.148 162 P CA 1.043 64.135 63.100 -0.013 0.000 0.828 162 P CB 0.263 31.955 31.700 -0.013 0.000 0.783 163 R N -0.959 119.543 120.500 0.003 0.000 2.310 163 R HA 0.325 4.673 4.340 0.013 0.000 0.202 163 R C 0.794 177.104 176.300 0.016 0.000 0.933 163 R CA -0.225 55.879 56.100 0.006 0.000 1.054 163 R CB -0.090 30.211 30.300 0.002 0.000 0.985 163 R HN 0.126 nan 8.270 nan 0.000 0.489 164 A N 1.625 124.460 122.820 0.025 0.000 2.407 164 A HA 0.026 4.354 4.320 0.013 0.000 0.248 164 A C -0.095 177.502 177.584 0.021 0.000 1.082 164 A CA -0.255 51.804 52.037 0.038 0.000 0.785 164 A CB 0.332 19.349 19.000 0.030 0.000 1.020 164 A HN 0.247 nan 8.150 nan 0.000 0.489 165 Q N 2.407 122.224 119.800 0.029 0.000 2.296 165 Q HA 0.276 4.624 4.340 0.013 0.000 0.263 165 Q C -2.078 173.933 176.000 0.018 0.000 1.026 165 Q CA -1.630 54.186 55.803 0.022 0.000 0.912 165 Q CB 0.515 29.269 28.738 0.027 0.000 1.198 165 Q HN 0.562 nan 8.270 nan 0.000 0.407 166 P HA 0.046 nan 4.420 nan 0.000 0.268 166 P C 0.338 177.644 177.300 0.010 0.000 1.205 166 P CA 0.808 63.912 63.100 0.006 0.000 0.771 166 P CB 0.925 32.626 31.700 0.002 0.000 0.858 167 G N 1.117 109.923 108.800 0.009 0.000 2.184 167 G HA2 -0.301 3.666 3.960 0.013 0.000 0.264 167 G HA3 -0.301 3.666 3.960 0.013 0.000 0.264 167 G C 0.300 175.212 174.900 0.020 0.000 0.975 167 G CA 0.446 45.553 45.100 0.012 0.000 0.642 167 G HN 0.747 nan 8.290 nan 0.000 0.536 168 Q N 1.179 120.995 119.800 0.027 0.000 2.421 168 Q HA 0.495 4.842 4.340 0.013 0.000 0.255 168 Q C 1.139 177.166 176.000 0.044 0.000 1.013 168 Q CA 0.387 56.213 55.803 0.039 0.000 0.895 168 Q CB 0.404 29.174 28.738 0.053 0.000 1.271 168 Q HN 0.694 nan 8.270 nan 0.000 0.460 169 S N 1.486 117.215 115.700 0.048 0.000 2.617 169 S HA 0.367 4.844 4.470 0.013 0.000 0.269 169 S C -0.179 174.462 174.600 0.069 0.000 1.292 169 S CA -0.961 57.268 58.200 0.048 0.000 1.010 169 S CB 1.591 64.815 63.200 0.040 0.000 0.944 169 S HN 0.547 nan 8.310 nan 0.000 0.536 170 S N 2.616 118.353 115.700 0.062 0.000 2.603 170 S HA 0.452 4.930 4.470 0.013 0.000 0.268 170 S C -2.102 172.541 174.600 0.072 0.000 1.317 170 S CA -0.737 57.513 58.200 0.083 0.000 1.012 170 S CB -0.039 63.197 63.200 0.060 0.000 0.926 170 S HN 0.640 nan 8.310 nan 0.000 0.539 171 P HA 0.460 nan 4.420 nan 0.000 0.277 171 P C -0.779 176.518 177.300 -0.004 0.000 1.271 171 P CA -0.639 62.472 63.100 0.019 0.000 0.795 171 P CB 0.451 32.134 31.700 -0.029 0.000 1.101 172 K N -1.456 118.914 120.400 -0.049 0.000 2.617 172 K HA 0.508 4.836 4.320 0.013 0.000 0.293 172 K C -1.222 175.308 176.600 -0.116 0.000 1.034 172 K CA -0.874 55.376 56.287 -0.062 0.000 0.884 172 K CB 0.476 32.952 32.500 -0.041 0.000 1.541 172 K HN 0.094 nan 8.250 nan 0.000 0.409 173 I N 2.747 123.249 120.570 -0.114 0.000 2.329 173 I HA 0.012 4.190 4.170 0.013 0.000 0.295 173 I C 0.231 176.256 176.117 -0.154 0.000 1.109 173 I CA -0.255 60.959 61.300 -0.143 0.000 1.297 173 I CB 0.409 38.340 38.000 -0.116 0.000 1.433 173 I HN 0.611 nan 8.210 nan 0.000 0.509 174 D N 4.950 125.184 120.400 -0.278 0.000 2.149 174 D HA -0.018 4.630 4.640 0.013 0.000 0.201 174 D C 0.422 176.641 176.300 -0.134 0.000 0.972 174 D CA 1.397 55.236 54.000 -0.269 0.000 0.835 174 D CB 0.523 40.937 40.800 -0.644 0.000 0.966 174 D HN 0.225 nan 8.370 nan 0.000 0.476 175 V N 1.198 121.028 119.914 -0.141 0.000 2.686 175 V HA 0.256 4.384 4.120 0.013 0.000 0.306 175 V C -0.275 175.823 176.094 0.007 0.000 1.065 175 V CA -0.820 61.480 62.300 0.001 0.000 0.894 175 V CB 2.886 34.775 31.823 0.109 0.000 1.004 175 V HN -0.268 nan 8.190 nan 0.000 0.424 176 V N 5.761 125.692 119.914 0.028 0.000 2.350 176 V HA 0.463 4.591 4.120 0.013 0.000 0.285 176 V C -0.053 176.075 176.094 0.055 0.000 1.014 176 V CA -0.334 61.986 62.300 0.034 0.000 0.831 176 V CB 1.467 33.302 31.823 0.020 0.000 1.000 176 V HN 0.702 nan 8.190 nan 0.000 0.433 177 I N 3.783 124.396 120.570 0.072 0.000 2.396 177 I HA 0.180 4.358 4.170 0.013 0.000 0.289 177 I C 1.034 177.197 176.117 0.077 0.000 1.056 177 I CA 0.369 61.716 61.300 0.078 0.000 1.365 177 I CB 1.244 39.300 38.000 0.093 0.000 1.407 177 I HN 0.622 nan 8.210 nan 0.000 0.509 178 S N 4.747 120.487 115.700 0.066 0.000 2.558 178 S HA 0.010 4.487 4.470 0.013 0.000 0.288 178 S C 0.878 175.524 174.600 0.077 0.000 1.318 178 S CA 0.021 58.260 58.200 0.065 0.000 1.056 178 S CB 0.438 63.670 63.200 0.053 0.000 0.853 178 S HN 0.674 nan 8.310 nan 0.000 0.505 179 E N 2.040 122.288 120.200 0.080 0.000 2.465 179 E HA 0.250 4.607 4.350 0.013 0.000 0.195 179 E C 0.443 177.084 176.600 0.069 0.000 1.028 179 E CA -0.285 56.166 56.400 0.085 0.000 0.899 179 E CB 0.420 30.178 29.700 0.097 0.000 1.032 179 E HN 0.737 nan 8.360 nan 0.000 0.468 180 A N 1.241 124.098 122.820 0.061 0.000 2.531 180 A HA 0.003 4.331 4.320 0.013 0.000 0.236 180 A C 1.587 179.208 177.584 0.062 0.000 1.062 180 A CA 0.405 52.475 52.037 0.054 0.000 0.760 180 A CB 0.301 19.329 19.000 0.047 0.000 0.995 180 A HN 0.314 nan 8.150 nan 0.000 0.501 181 S N 1.304 117.039 115.700 0.059 0.000 2.420 181 S HA -0.206 4.272 4.470 0.013 0.000 0.237 181 S C 1.496 176.144 174.600 0.079 0.000 1.023 181 S CA 1.681 59.923 58.200 0.069 0.000 0.991 181 S CB -0.671 62.565 63.200 0.059 0.000 0.792 181 S HN 1.520 nan 8.310 nan 0.000 0.488 182 S N 0.191 115.931 115.700 0.067 0.000 2.575 182 S HA 0.302 4.779 4.470 0.013 0.000 0.215 182 S C 0.559 175.198 174.600 0.065 0.000 0.966 182 S CA -0.136 58.104 58.200 0.067 0.000 0.911 182 S CB -0.172 63.057 63.200 0.049 0.000 0.780 182 S HN 0.411 nan 8.310 nan 0.000 0.514 183 S N 2.554 118.294 115.700 0.067 0.000 2.565 183 S HA 0.314 4.792 4.470 0.013 0.000 0.274 183 S C -0.363 174.274 174.600 0.062 0.000 1.309 183 S CA -0.741 57.493 58.200 0.057 0.000 1.043 183 S CB 0.081 63.316 63.200 0.058 0.000 0.939 183 S HN 0.435 nan 8.310 nan 0.000 0.504 184 N N 4.688 123.404 118.700 0.028 0.000 2.415 184 N HA 0.134 4.882 4.740 0.013 0.000 0.246 184 N C -0.858 174.656 175.510 0.006 0.000 1.078 184 N CA 0.030 53.080 53.050 -0.001 0.000 0.942 184 N CB 0.284 38.719 38.487 -0.088 0.000 1.140 184 N HN 0.706 nan 8.380 nan 0.000 0.501 185 N N 0.789 119.512 118.700 0.038 0.000 2.531 185 N HA 0.064 4.812 4.740 0.013 0.000 0.268 185 N C 1.017 176.565 175.510 0.064 0.000 1.023 185 N CA -0.381 52.705 53.050 0.061 0.000 0.896 185 N CB 0.893 39.434 38.487 0.090 0.000 1.233 185 N HN 0.316 nan 8.380 nan 0.000 0.512 186 T N 0.931 115.524 114.554 0.065 0.000 2.962 186 T HA -0.063 4.295 4.350 0.013 0.000 0.270 186 T C 1.635 176.414 174.700 0.132 0.000 1.088 186 T CA 0.653 62.811 62.100 0.097 0.000 1.127 186 T CB -0.123 68.831 68.868 0.144 0.000 0.883 186 T HN 0.452 nan 8.240 nan 0.000 0.493 187 L N 0.328 121.619 121.223 0.114 0.000 2.240 187 L HA 0.256 4.604 4.340 0.013 0.000 0.211 187 L C 0.680 177.578 176.870 0.046 0.000 1.106 187 L CA 0.831 55.691 54.840 0.033 0.000 0.793 187 L CB -0.023 42.072 42.059 0.061 0.000 0.927 187 L HN 0.284 nan 8.230 nan 0.000 0.446 188 D N -0.959 119.500 120.400 0.100 0.000 2.634 188 D HA 0.195 4.843 4.640 0.013 0.000 0.236 188 D C -2.637 173.740 176.300 0.128 0.000 1.323 188 D CA -1.174 52.899 54.000 0.121 0.000 0.884 188 D CB 1.024 41.935 40.800 0.186 0.000 1.496 188 D HN -0.205 nan 8.370 nan 0.000 0.525 189 P HA 0.318 nan 4.420 nan 0.000 0.268 189 P C 0.727 178.152 177.300 0.209 0.000 1.204 189 P CA -0.092 63.113 63.100 0.176 0.000 0.768 189 P CB 1.302 33.130 31.700 0.213 0.000 0.842 190 G N 0.468 109.393 108.800 0.209 0.000 3.651 190 G HA2 0.020 3.988 3.960 0.013 0.000 0.267 190 G HA3 0.020 3.988 3.960 0.013 0.000 0.267 190 G C 0.711 175.733 174.900 0.203 0.000 1.009 190 G CA 0.017 45.235 45.100 0.196 0.000 0.866 190 G HN 0.518 nan 8.290 nan 0.000 0.488 191 T N -3.096 111.618 114.554 0.266 0.000 3.086 191 T HA 0.094 4.452 4.350 0.013 0.000 0.250 191 T C 1.084 175.929 174.700 0.241 0.000 1.074 191 T CA -0.199 62.077 62.100 0.293 0.000 0.988 191 T CB -0.134 68.961 68.868 0.378 0.000 0.988 191 T HN 0.113 nan 8.240 nan 0.000 0.530 192 c N 3.845 122.474 118.600 0.049 0.000 2.210 192 c HA 0.362 4.940 4.570 0.013 0.000 0.377 192 c C 2.100 176.083 174.090 -0.178 0.000 1.037 192 c CA -0.259 55.829 56.329 -0.402 0.000 1.405 192 c CB -2.100 40.040 42.510 -0.616 0.000 1.802 192 c HN 0.649 nan 8.230 nan 0.000 0.495 193 T N 3.146 117.628 114.554 -0.120 0.000 2.564 193 T HA -0.231 4.126 4.350 0.013 0.000 0.264 193 T C 1.878 176.529 174.700 -0.081 0.000 1.100 193 T CA 2.324 64.405 62.100 -0.032 0.000 1.171 193 T CB -0.296 68.611 68.868 0.065 0.000 0.863 193 T HN 0.614 nan 8.240 nan 0.000 0.430 194 V N 0.930 120.748 119.914 -0.161 0.000 2.332 194 V HA -0.157 3.971 4.120 0.013 0.000 0.248 194 V C 2.003 178.044 176.094 -0.089 0.000 1.055 194 V CA 2.004 64.229 62.300 -0.126 0.000 1.038 194 V CB -0.792 30.935 31.823 -0.159 0.000 0.651 194 V HN 0.464 nan 8.190 nan 0.000 0.450 195 F N 1.310 121.127 119.950 -0.222 0.000 2.134 195 F HA -0.166 4.369 4.527 0.013 0.000 0.299 195 F C 2.460 178.188 175.800 -0.120 0.000 1.097 195 F CA 1.856 59.752 58.000 -0.173 0.000 1.264 195 F CB -0.241 38.650 39.000 -0.182 0.000 1.001 195 F HN 0.146 nan 8.300 nan 0.000 0.479 196 E N 0.136 120.271 120.200 -0.108 0.000 2.204 196 E HA -0.193 4.164 4.350 0.013 0.000 0.195 196 E C 1.560 178.038 176.600 -0.204 0.000 0.990 196 E CA 1.289 57.594 56.400 -0.158 0.000 0.821 196 E CB -0.481 29.222 29.700 0.006 0.000 0.750 196 E HN 0.559 nan 8.360 nan 0.000 0.477 197 D N 0.279 120.575 120.400 -0.173 0.000 2.348 197 D HA -0.016 4.631 4.640 0.013 0.000 0.211 197 D C 0.574 176.767 176.300 -0.178 0.000 0.998 197 D CA 0.139 54.055 54.000 -0.141 0.000 0.873 197 D CB 0.088 40.833 40.800 -0.091 0.000 0.925 197 D HN -0.103 nan 8.370 nan 0.000 0.524 198 S N 0.554 116.092 115.700 -0.269 0.000 2.563 198 S HA -0.062 4.416 4.470 0.013 0.000 0.294 198 S C 0.887 175.352 174.600 -0.225 0.000 1.279 198 S CA 0.318 58.359 58.200 -0.264 0.000 1.069 198 S CB 0.560 63.528 63.200 -0.388 0.000 0.828 198 S HN 0.075 nan 8.310 nan 0.000 0.497 199 E N 3.408 123.516 120.200 -0.152 0.000 2.603 199 E HA 0.098 4.456 4.350 0.013 0.000 0.211 199 E C 1.096 177.636 176.600 -0.099 0.000 0.995 199 E CA -0.247 56.084 56.400 -0.116 0.000 0.990 199 E CB 0.241 29.892 29.700 -0.082 0.000 1.036 199 E HN 0.589 nan 8.360 nan 0.000 0.475 200 L N 1.462 122.618 121.223 -0.111 0.000 2.013 200 L HA -0.221 4.126 4.340 0.013 0.000 0.212 200 L C 2.225 179.055 176.870 -0.067 0.000 1.073 200 L CA 2.353 57.143 54.840 -0.084 0.000 0.753 200 L CB -0.546 41.475 42.059 -0.064 0.000 0.890 200 L HN 0.161 nan 8.230 nan 0.000 0.432 201 A N -0.982 121.801 122.820 -0.061 0.000 1.940 201 A HA -0.235 4.092 4.320 0.013 0.000 0.219 201 A C 1.978 179.555 177.584 -0.012 0.000 1.176 201 A CA 1.946 53.973 52.037 -0.016 0.000 0.631 201 A CB -0.814 18.172 19.000 -0.024 0.000 0.814 201 A HN 0.611 nan 8.150 nan 0.000 0.446 202 D N -0.664 119.719 120.400 -0.028 0.000 2.117 202 D HA -0.091 4.557 4.640 0.013 0.000 0.198 202 D C 1.935 178.227 176.300 -0.014 0.000 0.982 202 D CA 1.794 55.788 54.000 -0.011 0.000 0.828 202 D CB -0.648 40.141 40.800 -0.020 0.000 0.967 202 D HN 0.389 nan 8.370 nan 0.000 0.464 203 T N 1.028 115.561 114.554 -0.036 0.000 2.708 203 T HA -0.087 4.271 4.350 0.013 0.000 0.266 203 T C 2.321 176.996 174.700 -0.041 0.000 1.037 203 T CA 0.709 62.784 62.100 -0.042 0.000 1.146 203 T CB -0.265 68.566 68.868 -0.062 0.000 0.865 203 T HN -0.033 nan 8.240 nan 0.000 0.435 204 V N 1.403 121.274 119.914 -0.071 0.000 2.343 204 V HA -0.171 3.957 4.120 0.013 0.000 0.247 204 V C 2.512 178.626 176.094 0.034 0.000 1.051 204 V CA 1.992 64.241 62.300 -0.085 0.000 1.036 204 V CB -0.608 31.093 31.823 -0.203 0.000 0.654 204 V HN 0.565 nan 8.190 nan 0.000 0.451 205 E N 0.474 120.704 120.200 0.050 0.000 2.085 205 E HA -0.247 4.111 4.350 0.013 0.000 0.194 205 E C 2.188 178.857 176.600 0.114 0.000 0.994 205 E CA 1.552 58.016 56.400 0.106 0.000 0.801 205 E CB -0.267 29.482 29.700 0.082 0.000 0.743 205 E HN 0.557 nan 8.360 nan 0.000 0.453 206 A N 1.191 124.046 122.820 0.058 0.000 1.877 206 A HA -0.224 4.104 4.320 0.013 0.000 0.216 206 A C 1.990 179.601 177.584 0.045 0.000 1.186 206 A CA 1.684 53.741 52.037 0.032 0.000 0.620 206 A CB -0.734 18.269 19.000 0.006 0.000 0.822 206 A HN 0.292 nan 8.150 nan 0.000 0.443 207 N N -0.851 117.883 118.700 0.058 0.000 2.043 207 N HA -0.167 4.581 4.740 0.013 0.000 0.193 207 N C 1.452 177.046 175.510 0.141 0.000 1.037 207 N CA 1.734 54.827 53.050 0.072 0.000 0.851 207 N CB -0.674 37.848 38.487 0.058 0.000 1.027 207 N HN 0.515 nan 8.380 nan 0.000 0.422 208 F N 1.915 121.907 119.950 0.071 0.000 2.128 208 F HA -0.137 4.398 4.527 0.013 0.000 0.295 208 F C 2.529 178.466 175.800 0.229 0.000 1.100 208 F CA 1.750 59.847 58.000 0.162 0.000 1.260 208 F CB -0.895 38.224 39.000 0.199 0.000 1.009 208 F HN 0.122 nan 8.300 nan 0.000 0.476 209 T N -1.171 113.471 114.554 0.146 0.000 2.803 209 T HA -0.217 4.141 4.350 0.013 0.000 0.269 209 T C 2.151 176.670 174.700 -0.301 0.000 1.052 209 T CA 1.141 63.165 62.100 -0.127 0.000 1.136 209 T CB -1.223 67.583 68.868 -0.103 0.000 0.864 209 T HN 0.274 nan 8.240 nan 0.000 0.467 210 A N 2.163 124.894 122.820 -0.148 0.000 1.978 210 A HA -0.083 4.244 4.320 0.013 0.000 0.220 210 A C 2.703 180.199 177.584 -0.147 0.000 1.170 210 A CA 2.351 54.306 52.037 -0.136 0.000 0.636 210 A CB -1.537 17.423 19.000 -0.067 0.000 0.810 210 A HN 0.791 nan 8.150 nan 0.000 0.448 211 T N -3.725 110.733 114.554 -0.160 0.000 3.113 211 T HA 0.094 4.452 4.350 0.013 0.000 0.263 211 T C 0.910 175.582 174.700 -0.047 0.000 1.143 211 T CA 1.335 63.358 62.100 -0.129 0.000 1.090 211 T CB -0.398 68.354 68.868 -0.192 0.000 0.922 211 T HN 1.022 nan 8.240 nan 0.000 0.521 212 F N -2.101 117.684 119.950 -0.275 0.000 2.885 212 F HA 0.477 5.012 4.527 0.013 0.000 0.389 212 F C 1.192 176.926 175.800 -0.110 0.000 0.904 212 F CA -0.574 57.314 58.000 -0.187 0.000 1.047 212 F CB 0.096 38.963 39.000 -0.221 0.000 1.113 212 F HN -0.063 nan 8.300 nan 0.000 0.579 213 V N 2.056 121.380 119.914 -0.984 0.000 2.358 213 V HA -0.060 4.068 4.120 0.013 0.000 0.246 213 V C -0.405 175.516 176.094 -0.289 0.000 1.047 213 V CA 2.200 64.082 62.300 -0.697 0.000 1.035 213 V CB -1.860 29.549 31.823 -0.689 0.000 0.658 213 V HN 0.148 nan 8.190 nan 0.000 0.452 214 P HA -0.162 nan 4.420 nan 0.000 0.216 214 P C 1.996 179.251 177.300 -0.074 0.000 1.157 214 P CA 2.115 65.142 63.100 -0.123 0.000 0.880 214 P CB -0.114 31.523 31.700 -0.103 0.000 0.791 215 S N -0.747 114.919 115.700 -0.056 0.000 2.356 215 S HA -0.147 4.331 4.470 0.013 0.000 0.223 215 S C 1.912 176.514 174.600 0.003 0.000 1.032 215 S CA 1.225 59.416 58.200 -0.015 0.000 1.005 215 S CB -1.189 62.016 63.200 0.009 0.000 0.867 215 S HN 0.139 nan 8.310 nan 0.000 0.449 216 I N 1.437 122.012 120.570 0.008 0.000 2.163 216 I HA -0.224 3.953 4.170 0.013 0.000 0.243 216 I C 2.759 178.904 176.117 0.046 0.000 1.085 216 I CA 1.360 62.697 61.300 0.061 0.000 1.347 216 I CB -0.408 37.657 38.000 0.107 0.000 1.044 216 I HN 0.232 nan 8.210 nan 0.000 0.408 217 R N 1.152 121.652 120.500 -0.000 0.000 2.083 217 R HA -0.232 4.115 4.340 0.013 0.000 0.237 217 R C 2.301 178.595 176.300 -0.010 0.000 1.137 217 R CA 1.807 57.903 56.100 -0.007 0.000 0.951 217 R CB -0.197 30.077 30.300 -0.044 0.000 0.851 217 R HN 0.448 nan 8.270 nan 0.000 0.434 218 Q N -0.287 119.503 119.800 -0.017 0.000 2.084 218 Q HA -0.204 4.144 4.340 0.013 0.000 0.202 218 Q C 2.276 178.267 176.000 -0.015 0.000 0.978 218 Q CA 1.688 57.478 55.803 -0.020 0.000 0.844 218 Q CB -0.173 28.553 28.738 -0.020 0.000 0.898 218 Q HN 0.342 nan 8.270 nan 0.000 0.426 219 R N 0.741 121.243 120.500 0.004 0.000 2.073 219 R HA -0.127 4.221 4.340 0.013 0.000 0.234 219 R C 2.185 178.487 176.300 0.003 0.000 1.134 219 R CA 1.060 57.168 56.100 0.014 0.000 0.952 219 R CB -0.145 30.178 30.300 0.039 0.000 0.850 219 R HN 0.223 nan 8.270 nan 0.000 0.433 220 L N 0.405 121.637 121.223 0.015 0.000 2.056 220 L HA -0.144 4.204 4.340 0.013 0.000 0.207 220 L C 2.330 179.146 176.870 -0.091 0.000 1.078 220 L CA 1.482 56.316 54.840 -0.009 0.000 0.749 220 L CB -0.459 41.631 42.059 0.052 0.000 0.901 220 L HN 0.319 nan 8.230 nan 0.000 0.433 221 E N -0.063 120.099 120.200 -0.064 0.000 2.110 221 E HA -0.238 4.120 4.350 0.013 0.000 0.193 221 E C 1.869 178.404 176.600 -0.109 0.000 0.988 221 E CA 1.195 57.546 56.400 -0.082 0.000 0.804 221 E CB -0.206 29.460 29.700 -0.056 0.000 0.745 221 E HN 0.518 nan 8.360 nan 0.000 0.458 222 N N 0.696 119.340 118.700 -0.093 0.000 2.171 222 N HA -0.156 4.592 4.740 0.013 0.000 0.184 222 N C 1.156 176.579 175.510 -0.145 0.000 1.021 222 N CA 1.080 54.072 53.050 -0.096 0.000 0.854 222 N CB 0.182 38.634 38.487 -0.059 0.000 0.994 222 N HN 0.019 nan 8.380 nan 0.000 0.426 223 D N 0.519 120.800 120.400 -0.198 0.000 2.194 223 D HA 0.028 4.676 4.640 0.013 0.000 0.204 223 D C 0.400 176.399 176.300 -0.503 0.000 0.964 223 D CA 0.634 54.434 54.000 -0.334 0.000 0.846 223 D CB 0.196 40.744 40.800 -0.420 0.000 0.962 223 D HN 0.295 nan 8.370 nan 0.000 0.490 224 L N 1.356 122.295 121.223 -0.473 0.000 2.701 224 L HA 0.202 4.550 4.340 0.013 0.000 0.237 224 L C -0.079 176.599 176.870 -0.320 0.000 1.204 224 L CA -0.367 54.189 54.840 -0.473 0.000 1.109 224 L CB 0.619 42.419 42.059 -0.432 0.000 1.409 224 L HN -0.299 nan 8.230 nan 0.000 0.428 225 S N 1.251 116.785 115.700 -0.277 0.000 2.626 225 S HA 0.194 4.672 4.470 0.013 0.000 0.303 225 S C 1.255 175.745 174.600 -0.182 0.000 1.256 225 S CA 0.915 58.998 58.200 -0.195 0.000 1.069 225 S CB 0.588 63.688 63.200 -0.166 0.000 0.807 225 S HN 0.934 nan 8.310 nan 0.000 0.500 226 G N 1.771 110.493 108.800 -0.130 0.000 2.201 226 G HA2 -0.203 3.764 3.960 0.013 0.000 0.212 226 G HA3 -0.203 3.764 3.960 0.013 0.000 0.212 226 G C -0.023 174.826 174.900 -0.085 0.000 0.994 226 G CA -0.178 44.861 45.100 -0.102 0.000 0.644 226 G HN 0.719 nan 8.290 nan 0.000 0.508 227 V N 2.147 122.002 119.914 -0.100 0.000 2.532 227 V HA 0.773 4.901 4.120 0.013 0.000 0.295 227 V C 0.606 176.667 176.094 -0.054 0.000 1.041 227 V CA 0.377 62.635 62.300 -0.069 0.000 0.926 227 V CB 1.715 33.489 31.823 -0.082 0.000 0.992 227 V HN 0.802 nan 8.190 nan 0.000 0.457 228 T N 3.626 118.160 114.554 -0.032 0.000 2.861 228 T HA 0.838 5.196 4.350 0.013 0.000 0.287 228 T C -0.990 173.700 174.700 -0.017 0.000 1.003 228 T CA -0.670 61.413 62.100 -0.028 0.000 0.977 228 T CB 1.423 70.276 68.868 -0.025 0.000 0.996 228 T HN 0.355 nan 8.240 nan 0.000 0.448 229 L N 2.304 123.515 121.223 -0.021 0.000 2.409 229 L HA 0.688 5.036 4.340 0.013 0.000 0.262 229 L C 0.575 177.422 176.870 -0.038 0.000 0.992 229 L CA -1.169 53.660 54.840 -0.018 0.000 0.817 229 L CB 2.797 44.854 42.059 -0.004 0.000 1.350 229 L HN 0.995 nan 8.230 nan 0.000 0.411 230 T N -4.067 110.454 114.554 -0.054 0.000 2.881 230 T HA 0.219 4.577 4.350 0.013 0.000 0.278 230 T C 0.474 175.113 174.700 -0.103 0.000 0.982 230 T CA -0.713 61.342 62.100 -0.074 0.000 0.989 230 T CB 1.486 70.305 68.868 -0.081 0.000 1.058 230 T HN 0.479 nan 8.240 nan 0.000 0.529 231 D N 0.910 121.242 120.400 -0.113 0.000 2.123 231 D HA -0.074 4.573 4.640 0.013 0.000 0.196 231 D C 2.189 178.383 176.300 -0.177 0.000 0.992 231 D CA 1.496 55.410 54.000 -0.142 0.000 0.833 231 D CB -0.726 39.986 40.800 -0.147 0.000 0.954 231 D HN 0.688 nan 8.370 nan 0.000 0.455 232 T N 1.163 115.595 114.554 -0.204 0.000 2.720 232 T HA -0.149 4.209 4.350 0.013 0.000 0.268 232 T C 1.760 176.100 174.700 -0.599 0.000 1.037 232 T CA 1.214 63.118 62.100 -0.326 0.000 1.144 232 T CB -0.217 68.470 68.868 -0.302 0.000 0.864 232 T HN 0.324 nan 8.240 nan 0.000 0.444 233 E N 0.441 120.350 120.200 -0.486 0.000 2.153 233 E HA -0.089 4.269 4.350 0.013 0.000 0.194 233 E C 2.307 178.827 176.600 -0.134 0.000 0.988 233 E CA 0.788 56.946 56.400 -0.404 0.000 0.811 233 E CB -0.247 29.383 29.700 -0.117 0.000 0.746 233 E HN 0.263 nan 8.360 nan 0.000 0.466 234 V N 1.545 121.407 119.914 -0.086 0.000 2.343 234 V HA -0.270 3.857 4.120 0.013 0.000 0.247 234 V C 2.753 178.858 176.094 0.018 0.000 1.051 234 V CA 2.217 64.535 62.300 0.030 0.000 1.036 234 V CB -0.999 30.827 31.823 0.005 0.000 0.654 234 V HN 0.525 nan 8.190 nan 0.000 0.451 235 T N -2.542 111.996 114.554 -0.028 0.000 2.881 235 T HA -0.229 4.128 4.350 0.013 0.000 0.270 235 T C 1.828 176.697 174.700 0.280 0.000 1.068 235 T CA 1.411 63.577 62.100 0.110 0.000 1.131 235 T CB -0.485 68.478 68.868 0.158 0.000 0.871 235 T HN 0.404 nan 8.240 nan 0.000 0.479 236 Y N 1.540 121.914 120.300 0.124 0.000 2.242 236 Y HA 0.222 4.779 4.550 0.013 0.000 0.291 236 Y C 2.370 178.178 175.900 -0.154 0.000 1.137 236 Y CA -0.411 57.743 58.100 0.090 0.000 1.181 236 Y CB -0.934 37.643 38.460 0.194 0.000 0.989 236 Y HN 0.255 nan 8.280 nan 0.000 0.527 237 L N -1.076 120.231 121.223 0.140 0.000 2.093 237 L HA -0.242 4.106 4.340 0.013 0.000 0.208 237 L C 2.364 179.282 176.870 0.080 0.000 1.085 237 L CA 1.189 56.116 54.840 0.145 0.000 0.755 237 L CB -0.482 41.847 42.059 0.449 0.000 0.904 237 L HN 0.204 nan 8.230 nan 0.000 0.435 238 M N -0.808 118.701 119.600 -0.151 0.000 2.200 238 M HA -0.174 4.314 4.480 0.013 0.000 0.265 238 M C 1.662 177.874 176.300 -0.147 0.000 1.066 238 M CA 1.344 56.382 55.300 -0.437 0.000 1.127 238 M CB -0.466 31.616 32.600 -0.864 0.000 1.379 238 M HN 0.152 nan 8.290 nan 0.000 0.420 239 D N 0.401 120.810 120.400 0.014 0.000 2.144 239 D HA -0.133 4.514 4.640 0.013 0.000 0.199 239 D C 1.936 178.155 176.300 -0.134 0.000 0.984 239 D CA 1.184 55.241 54.000 0.095 0.000 0.834 239 D CB -0.127 40.824 40.800 0.252 0.000 0.955 239 D HN 0.235 nan 8.370 nan 0.000 0.465 240 M N 0.350 119.738 119.600 -0.352 0.000 2.279 240 M HA -0.120 4.368 4.480 0.013 0.000 0.264 240 M C 2.476 178.573 176.300 -0.338 0.000 1.062 240 M CA 0.539 55.533 55.300 -0.509 0.000 1.099 240 M CB -1.189 30.722 32.600 -1.147 0.000 1.394 240 M HN 0.241 nan 8.290 nan 0.000 0.426 241 c N -0.336 118.148 118.600 -0.193 0.000 2.413 241 c HA -0.167 4.411 4.570 0.013 0.000 0.276 241 c C 3.194 176.921 174.090 -0.606 0.000 1.236 241 c CA 1.834 58.081 56.329 -0.138 0.000 1.735 241 c CB -0.975 41.601 42.510 0.109 0.000 2.031 241 c HN 0.619 nan 8.230 nan 0.000 0.474 242 S N -0.512 114.531 115.700 -1.094 0.000 2.344 242 S HA -0.095 4.383 4.470 0.013 0.000 0.217 242 S C 1.642 175.771 174.600 -0.784 0.000 1.033 242 S CA 1.928 59.164 58.200 -1.607 0.000 1.017 242 S CB -0.664 61.663 63.200 -1.454 0.000 0.941 242 S HN 0.630 nan 8.310 nan 0.000 0.430 243 F N 1.688 121.409 119.950 -0.382 0.000 2.126 243 F HA -0.021 4.513 4.527 0.012 0.000 0.299 243 F C 2.363 178.089 175.800 -0.125 0.000 1.096 243 F CA 1.471 59.361 58.000 -0.184 0.000 1.255 243 F CB -0.719 38.212 39.000 -0.113 0.000 0.997 243 F HN 0.301 nan 8.300 nan 0.000 0.479 244 D N -1.005 119.418 120.400 0.038 0.000 2.312 244 D HA -0.083 4.564 4.640 0.013 0.000 0.211 244 D C 1.932 178.260 176.300 0.047 0.000 0.964 244 D CA 1.216 55.274 54.000 0.096 0.000 0.877 244 D CB 0.036 40.958 40.800 0.202 0.000 0.924 244 D HN 0.128 nan 8.370 nan 0.000 0.515 245 T N -0.153 114.369 114.554 -0.054 0.000 2.837 245 T HA 0.020 4.377 4.350 0.013 0.000 0.248 245 T C 1.804 176.492 174.700 -0.021 0.000 1.033 245 T CA 0.857 62.941 62.100 -0.027 0.000 1.150 245 T CB -0.124 68.747 68.868 0.005 0.000 0.865 245 T HN 0.319 nan 8.240 nan 0.000 0.425 246 I N 1.680 122.188 120.570 -0.104 0.000 3.646 246 I HA 0.158 4.336 4.170 0.013 0.000 0.301 246 I C 2.127 178.167 176.117 -0.128 0.000 1.276 246 I CA 0.329 61.485 61.300 -0.240 0.000 1.254 246 I CB -0.666 37.077 38.000 -0.427 0.000 1.020 246 I HN 0.161 nan 8.210 nan 0.000 0.473 247 S N 0.216 115.913 115.700 -0.005 0.000 2.447 247 S HA -0.033 4.445 4.470 0.013 0.000 0.233 247 S C 1.005 175.661 174.600 0.093 0.000 1.006 247 S CA 0.719 58.970 58.200 0.085 0.000 0.957 247 S CB -0.637 62.659 63.200 0.159 0.000 0.773 247 S HN 0.574 nan 8.310 nan 0.000 0.507 254 K N 1.083 121.615 120.400 0.219 0.000 2.259 254 K HA 0.699 5.027 4.320 0.013 0.000 0.249 254 K C -1.355 175.242 176.600 -0.005 0.000 0.942 254 K CA -0.932 55.459 56.287 0.172 0.000 0.816 254 K CB 2.529 35.075 32.500 0.078 0.000 1.155 254 K HN -0.036 nan 8.250 nan 0.000 0.428 255 L N 1.776 122.839 121.223 -0.267 0.000 2.367 255 L HA 0.109 4.456 4.340 0.013 0.000 0.275 255 L C 0.189 176.914 176.870 -0.241 0.000 1.129 255 L CA 0.560 55.072 54.840 -0.546 0.000 0.839 255 L CB 1.282 42.873 42.059 -0.779 0.000 1.133 255 L HN 0.640 nan 8.230 nan 0.000 0.453 256 S N 5.615 121.218 115.700 -0.161 0.000 2.549 256 S HA 0.187 4.665 4.470 0.013 0.000 0.286 256 S C -1.567 172.917 174.600 -0.194 0.000 1.314 256 S CA -0.752 57.397 58.200 -0.085 0.000 1.062 256 S CB 0.654 63.889 63.200 0.057 0.000 0.865 256 S HN 0.639 nan 8.310 nan 0.000 0.498 257 P HA -0.037 nan 4.420 nan 0.000 0.219 257 P C 0.758 177.634 177.300 -0.706 0.000 1.146 257 P CA 1.023 63.613 63.100 -0.850 0.000 0.808 257 P CB -0.018 30.595 31.700 -1.811 0.000 0.779 258 F N -0.972 118.753 119.950 -0.374 0.000 2.250 258 F HA -0.208 4.327 4.527 0.013 0.000 0.301 258 F C 2.227 178.167 175.800 0.233 0.000 1.077 258 F CA 0.926 58.947 58.000 0.034 0.000 1.348 258 F CB -1.372 37.684 39.000 0.094 0.000 1.040 258 F HN 0.009 nan 8.300 nan 0.000 0.509 259 c N -0.849 117.954 118.600 0.337 0.000 2.450 259 c HA -0.129 4.449 4.570 0.013 0.000 0.279 259 c C 2.347 176.698 174.090 0.434 0.000 1.335 259 c CA 0.561 57.197 56.329 0.513 0.000 1.749 259 c CB -0.904 41.736 42.510 0.218 0.000 1.963 259 c HN 0.359 nan 8.230 nan 0.000 0.501 260 D N 0.741 121.212 120.400 0.118 0.000 2.348 260 D HA -0.016 4.632 4.640 0.013 0.000 0.216 260 D C 1.751 177.998 176.300 -0.088 0.000 0.970 260 D CA 0.656 54.663 54.000 0.013 0.000 0.889 260 D CB -0.156 40.578 40.800 -0.111 0.000 0.912 260 D HN 0.459 nan 8.370 nan 0.000 0.524 261 L N -0.893 120.200 121.223 -0.216 0.000 2.554 261 L HA 0.124 4.472 4.340 0.013 0.000 0.226 261 L C -0.120 176.234 176.870 -0.859 0.000 1.137 261 L CA 0.116 54.587 54.840 -0.615 0.000 0.863 261 L CB -0.105 41.474 42.059 -0.800 0.000 0.985 261 L HN -0.099 nan 8.230 nan 0.000 0.451 262 F N -0.943 119.050 119.950 0.071 0.000 2.563 262 F HA 0.406 4.941 4.527 0.013 0.000 0.316 262 F C 0.814 176.648 175.800 0.058 0.000 1.076 262 F CA -1.220 56.745 58.000 -0.057 0.000 0.921 262 F CB 1.338 40.071 39.000 -0.446 0.000 1.209 262 F HN -0.242 nan 8.300 nan 0.000 0.462 263 T N -3.254 111.409 114.554 0.183 0.000 2.824 263 T HA 0.171 4.529 4.350 0.013 0.000 0.277 263 T C 0.915 175.798 174.700 0.305 0.000 0.975 263 T CA -0.057 62.177 62.100 0.223 0.000 0.966 263 T CB 0.839 69.800 68.868 0.154 0.000 1.054 263 T HN 0.757 nan 8.240 nan 0.000 0.533 264 H N 0.556 119.784 119.070 0.262 0.000 2.353 264 H HA -0.089 4.474 4.556 0.013 0.000 0.300 264 H C 1.962 177.429 175.328 0.232 0.000 1.090 264 H CA 2.609 58.837 56.048 0.301 0.000 1.327 264 H CB -0.215 29.660 29.762 0.187 0.000 1.383 264 H HN 0.816 nan 8.280 nan 0.000 0.508 265 D N 0.033 120.506 120.400 0.121 0.000 2.219 265 D HA -0.156 4.491 4.640 0.013 0.000 0.205 265 D C 1.509 177.799 176.300 -0.017 0.000 0.970 265 D CA 1.054 55.074 54.000 0.033 0.000 0.851 265 D CB -0.262 40.581 40.800 0.072 0.000 0.943 265 D HN 0.594 nan 8.370 nan 0.000 0.488 266 E N -0.057 120.141 120.200 -0.003 0.000 2.107 266 E HA -0.080 4.277 4.350 0.013 0.000 0.191 266 E C 1.875 178.395 176.600 -0.133 0.000 0.982 266 E CA 0.648 57.017 56.400 -0.051 0.000 0.809 266 E CB -0.203 29.480 29.700 -0.029 0.000 0.756 266 E HN 0.422 nan 8.360 nan 0.000 0.459 267 W N 0.960 122.278 121.300 0.030 0.000 2.388 267 W HA -0.066 4.601 4.660 0.013 0.000 0.294 267 W C 2.040 178.561 176.519 0.003 0.000 1.212 267 W CA 0.261 57.625 57.345 0.031 0.000 1.271 267 W CB -0.115 29.334 29.460 -0.020 0.000 1.126 267 W HN 0.017 nan 8.180 nan 0.000 0.535 268 I N 0.556 121.157 120.570 0.051 0.000 2.264 268 I HA -0.364 3.813 4.170 0.013 0.000 0.248 268 I C 2.168 178.305 176.117 0.035 0.000 1.111 268 I CA 1.196 62.501 61.300 0.008 0.000 1.382 268 I CB -0.573 37.386 38.000 -0.068 0.000 1.060 268 I HN 0.076 nan 8.210 nan 0.000 0.418 269 N N 0.127 118.773 118.700 -0.090 0.000 2.142 269 N HA -0.222 4.526 4.740 0.013 0.000 0.186 269 N C 1.871 177.319 175.510 -0.104 0.000 1.023 269 N CA 1.325 54.202 53.050 -0.288 0.000 0.852 269 N CB -0.415 37.395 38.487 -1.129 0.000 0.998 269 N HN 0.375 nan 8.380 nan 0.000 0.424 270 Y N 1.975 122.222 120.300 -0.089 0.000 2.128 270 Y HA -0.270 4.288 4.550 0.013 0.000 0.284 270 Y C 2.248 178.283 175.900 0.224 0.000 1.154 270 Y CA 2.143 60.358 58.100 0.190 0.000 1.149 270 Y CB -0.528 38.085 38.460 0.254 0.000 0.976 270 Y HN 0.068 nan 8.280 nan 0.000 0.505 271 D N -1.198 119.435 120.400 0.387 0.000 2.116 271 D HA -0.315 4.333 4.640 0.013 0.000 0.193 271 D C 2.048 178.375 176.300 0.046 0.000 0.998 271 D CA 1.767 55.904 54.000 0.228 0.000 0.836 271 D CB -0.597 40.345 40.800 0.237 0.000 0.951 271 D HN 0.493 nan 8.370 nan 0.000 0.449 272 Y N 0.175 120.431 120.300 -0.073 0.000 2.224 272 Y HA -0.090 4.468 4.550 0.013 0.000 0.289 272 Y C 1.947 177.676 175.900 -0.286 0.000 1.146 272 Y CA 1.183 59.159 58.100 -0.207 0.000 1.182 272 Y CB -0.526 37.775 38.460 -0.265 0.000 0.983 272 Y HN 0.133 nan 8.280 nan 0.000 0.524 273 L N 0.355 121.486 121.223 -0.154 0.000 2.042 273 L HA -0.236 4.111 4.340 0.013 0.000 0.210 273 L C 2.042 178.793 176.870 -0.199 0.000 1.076 273 L CA 1.848 56.623 54.840 -0.109 0.000 0.749 273 L CB -0.859 41.346 42.059 0.244 0.000 0.893 273 L HN 0.203 nan 8.230 nan 0.000 0.432 274 Q N -0.488 119.166 119.800 -0.243 0.000 2.124 274 Q HA -0.116 4.232 4.340 0.013 0.000 0.202 274 Q C 2.371 178.258 176.000 -0.187 0.000 0.977 274 Q CA 1.742 57.407 55.803 -0.230 0.000 0.850 274 Q CB -0.714 27.865 28.738 -0.265 0.000 0.901 274 Q HN 0.577 nan 8.270 nan 0.000 0.429 275 S N 1.079 116.626 115.700 -0.256 0.000 2.368 275 S HA -0.062 4.416 4.470 0.013 0.000 0.225 275 S C 2.110 176.638 174.600 -0.119 0.000 1.030 275 S CA 0.772 58.834 58.200 -0.229 0.000 0.999 275 S CB -0.221 62.757 63.200 -0.371 0.000 0.844 275 S HN 0.256 nan 8.310 nan 0.000 0.459 276 L N 1.157 122.201 121.223 -0.299 0.000 2.017 276 L HA -0.135 4.213 4.340 0.013 0.000 0.208 276 L C 2.505 179.442 176.870 0.112 0.000 1.073 276 L CA 1.286 56.073 54.840 -0.089 0.000 0.745 276 L CB -0.460 41.454 42.059 -0.242 0.000 0.894 276 L HN 0.233 nan 8.230 nan 0.000 0.432 277 K N -0.147 120.272 120.400 0.033 0.000 2.044 277 K HA -0.204 4.123 4.320 0.013 0.000 0.210 277 K C 2.202 178.879 176.600 0.129 0.000 1.049 277 K CA 1.322 57.655 56.287 0.077 0.000 0.927 277 K CB -0.083 32.441 32.500 0.040 0.000 0.713 277 K HN 0.128 nan 8.250 nan 0.000 0.443 278 K N 0.159 120.640 120.400 0.136 0.000 2.057 278 K HA -0.148 4.180 4.320 0.013 0.000 0.206 278 K C 2.078 178.792 176.600 0.190 0.000 1.050 278 K CA 1.255 57.672 56.287 0.218 0.000 0.935 278 K CB -0.604 32.024 32.500 0.214 0.000 0.715 278 K HN 0.241 nan 8.250 nan 0.000 0.439 279 Y N 0.260 120.571 120.300 0.019 0.000 2.181 279 Y HA -0.239 4.318 4.550 0.013 0.000 0.288 279 Y C 1.669 177.279 175.900 -0.483 0.000 1.146 279 Y CA 1.625 59.540 58.100 -0.309 0.000 1.164 279 Y CB -0.211 38.018 38.460 -0.384 0.000 0.982 279 Y HN 0.017 nan 8.280 nan 0.000 0.515 280 Y N -1.031 119.196 120.300 -0.121 0.000 2.482 280 Y HA 0.200 4.758 4.550 0.013 0.000 0.270 280 Y C 2.273 178.053 175.900 -0.201 0.000 1.152 280 Y CA 0.539 58.517 58.100 -0.204 0.000 1.292 280 Y CB -0.178 38.241 38.460 -0.069 0.000 1.070 280 Y HN 0.149 nan 8.280 nan 0.000 0.528 281 G N -1.499 107.267 108.800 -0.055 0.000 2.490 281 G HA2 -0.058 3.910 3.960 0.013 0.000 0.211 281 G HA3 -0.058 3.910 3.960 0.013 0.000 0.211 281 G C 1.173 175.813 174.900 -0.432 0.000 1.159 281 G CA 0.474 45.441 45.100 -0.222 0.000 0.819 281 G HN 0.407 nan 8.290 nan 0.000 0.539 282 H N -0.627 118.464 119.070 0.035 0.000 3.535 282 H HA 0.211 4.775 4.556 0.013 0.000 0.260 282 H C 1.496 176.708 175.328 -0.193 0.000 1.173 282 H CA 0.165 56.254 56.048 0.067 0.000 1.168 282 H CB 0.988 30.833 29.762 0.138 0.000 1.568 282 H HN 0.333 nan 8.280 nan 0.000 0.602 283 G N 0.204 108.755 108.800 -0.415 0.000 2.543 283 G HA2 0.352 4.319 3.960 0.013 0.000 0.267 283 G HA3 0.352 4.319 3.960 0.013 0.000 0.267 283 G C 1.112 175.210 174.900 -1.337 0.000 1.406 283 G CA 0.193 44.571 45.100 -1.204 0.000 1.048 283 G HN 0.206 nan 8.290 nan 0.000 0.548 284 A N -1.054 120.617 122.820 -1.915 0.000 2.178 284 A HA 0.131 4.459 4.320 0.013 0.000 0.218 284 A C 2.372 179.345 177.584 -1.020 0.000 1.157 284 A CA 1.950 53.331 52.037 -1.094 0.000 0.689 284 A CB -0.720 17.867 19.000 -0.689 0.000 0.787 284 A HN 0.965 nan 8.150 nan 0.000 0.465 285 G N -0.660 107.118 108.800 -1.703 0.000 2.471 285 G HA2 -0.128 3.840 3.960 0.013 0.000 0.219 285 G HA3 -0.128 3.840 3.960 0.013 0.000 0.219 285 G C 0.746 175.386 174.900 -0.432 0.000 1.125 285 G CA 0.241 44.602 45.100 -1.231 0.000 0.775 285 G HN 0.496 nan 8.290 nan 0.000 0.548 286 N N 0.226 118.668 118.700 -0.431 0.000 2.421 286 N HA 0.236 4.984 4.740 0.013 0.000 0.285 286 N C -1.786 173.644 175.510 -0.133 0.000 1.027 286 N CA -1.724 51.227 53.050 -0.165 0.000 0.918 286 N CB 2.450 40.889 38.487 -0.080 0.000 1.152 286 N HN -0.223 nan 8.380 nan 0.000 0.485 287 P HA -0.086 nan 4.420 nan 0.000 0.216 287 P C 0.738 178.023 177.300 -0.025 0.000 1.150 287 P CA 1.319 64.391 63.100 -0.047 0.000 0.843 287 P CB 0.341 32.026 31.700 -0.025 0.000 0.787 288 L N -2.401 118.835 121.223 0.023 0.000 2.818 288 L HA 0.287 4.635 4.340 0.013 0.000 0.243 288 L C 2.080 178.860 176.870 -0.150 0.000 1.185 288 L CA -0.120 54.716 54.840 -0.008 0.000 0.988 288 L CB -0.483 41.596 42.059 0.033 0.000 1.292 288 L HN 0.011 nan 8.230 nan 0.000 0.519 289 G N 1.691 110.429 108.800 -0.103 0.000 2.524 289 G HA2 -0.155 3.813 3.960 0.013 0.000 0.215 289 G HA3 -0.155 3.813 3.960 0.013 0.000 0.215 289 G C -0.771 174.038 174.900 -0.152 0.000 1.239 289 G CA 0.717 45.712 45.100 -0.176 0.000 0.798 289 G HN 0.244 nan 8.290 nan 0.000 0.557 290 P HA -0.029 nan 4.420 nan 0.000 0.218 290 P C 1.933 179.385 177.300 0.253 0.000 1.148 290 P CA 1.544 64.708 63.100 0.107 0.000 0.822 290 P CB -0.184 31.534 31.700 0.031 0.000 0.784 291 T N -0.361 114.328 114.554 0.226 0.000 2.849 291 T HA -0.166 4.192 4.350 0.013 0.000 0.270 291 T C 1.609 176.392 174.700 0.139 0.000 1.066 291 T CA 1.118 63.338 62.100 0.199 0.000 1.130 291 T CB -0.571 68.382 68.868 0.141 0.000 0.864 291 T HN 0.180 nan 8.240 nan 0.000 0.481 292 Q N 0.188 119.981 119.800 -0.012 0.000 2.364 292 Q HA 0.065 4.413 4.340 0.013 0.000 0.207 292 Q C 2.243 178.280 176.000 0.061 0.000 0.970 292 Q CA 0.905 56.704 55.803 -0.006 0.000 0.888 292 Q CB -0.496 28.098 28.738 -0.240 0.000 0.951 292 Q HN 0.587 nan 8.270 nan 0.000 0.469 293 G N 0.217 109.072 108.800 0.092 0.000 3.126 293 G HA2 0.146 4.113 3.960 0.013 0.000 0.224 293 G HA3 0.146 4.113 3.960 0.013 0.000 0.224 293 G C 1.407 176.379 174.900 0.119 0.000 1.142 293 G CA 0.501 45.672 45.100 0.119 0.000 0.759 293 G HN 0.296 nan 8.290 nan 0.000 0.550 294 V N -0.891 119.053 119.914 0.050 0.000 2.427 294 V HA 0.056 4.184 4.120 0.013 0.000 0.248 294 V C 2.579 178.633 176.094 -0.066 0.000 1.051 294 V CA 1.972 64.252 62.300 -0.033 0.000 1.048 294 V CB -1.044 30.675 31.823 -0.172 0.000 0.666 294 V HN 0.158 nan 8.190 nan 0.000 0.456 295 G N -0.859 107.876 108.800 -0.109 0.000 2.459 295 G HA2 -0.354 3.614 3.960 0.013 0.000 0.217 295 G HA3 -0.354 3.614 3.960 0.013 0.000 0.217 295 G C 1.535 176.413 174.900 -0.037 0.000 1.183 295 G CA 1.351 46.369 45.100 -0.137 0.000 0.776 295 G HN 0.630 nan 8.290 nan 0.000 0.552 296 Y N 2.000 122.265 120.300 -0.058 0.000 2.181 296 Y HA -0.009 4.548 4.550 0.013 0.000 0.288 296 Y C 2.957 178.862 175.900 0.008 0.000 1.146 296 Y CA 1.367 59.462 58.100 -0.008 0.000 1.164 296 Y CB -0.312 38.158 38.460 0.018 0.000 0.982 296 Y HN 0.261 nan 8.280 nan 0.000 0.515 297 A N 0.335 123.214 122.820 0.099 0.000 1.902 297 A HA -0.220 4.108 4.320 0.013 0.000 0.217 297 A C 2.069 179.615 177.584 -0.063 0.000 1.181 297 A CA 1.901 53.960 52.037 0.037 0.000 0.623 297 A CB -0.724 18.318 19.000 0.070 0.000 0.818 297 A HN 0.565 nan 8.150 nan 0.000 0.443 298 N N -0.116 118.533 118.700 -0.085 0.000 2.309 298 N HA -0.105 4.643 4.740 0.013 0.000 0.182 298 N C 1.573 177.014 175.510 -0.114 0.000 1.018 298 N CA 1.262 54.252 53.050 -0.099 0.000 0.876 298 N CB -0.290 38.132 38.487 -0.108 0.000 0.972 298 N HN 0.664 nan 8.380 nan 0.000 0.434 299 E N 0.308 120.414 120.200 -0.156 0.000 2.107 299 E HA -0.114 4.244 4.350 0.013 0.000 0.191 299 E C 1.790 178.346 176.600 -0.073 0.000 0.982 299 E CA 0.364 56.703 56.400 -0.101 0.000 0.809 299 E CB -0.006 29.616 29.700 -0.130 0.000 0.756 299 E HN 0.113 nan 8.360 nan 0.000 0.459 300 L N 1.228 122.323 121.223 -0.213 0.000 2.027 300 L HA -0.133 4.215 4.340 0.013 0.000 0.206 300 L C 2.031 178.837 176.870 -0.107 0.000 1.074 300 L CA 1.459 56.200 54.840 -0.164 0.000 0.745 300 L CB -0.271 41.726 42.059 -0.104 0.000 0.898 300 L HN 0.093 nan 8.230 nan 0.000 0.433 301 I N -0.326 120.195 120.570 -0.082 0.000 2.208 301 I HA -0.342 3.836 4.170 0.013 0.000 0.245 301 I C 2.585 178.648 176.117 -0.090 0.000 1.097 301 I CA 1.244 62.495 61.300 -0.083 0.000 1.363 301 I CB -0.688 37.266 38.000 -0.078 0.000 1.051 301 I HN 0.385 nan 8.210 nan 0.000 0.413 302 A N 0.908 123.704 122.820 -0.041 0.000 1.908 302 A HA -0.224 4.104 4.320 0.013 0.000 0.218 302 A C 2.396 179.961 177.584 -0.033 0.000 1.181 302 A CA 1.659 53.708 52.037 0.020 0.000 0.627 302 A CB -0.565 18.512 19.000 0.128 0.000 0.818 302 A HN 0.336 nan 8.150 nan 0.000 0.445 303 R N -0.664 119.777 120.500 -0.097 0.000 2.075 303 R HA 0.039 4.387 4.340 0.013 0.000 0.232 303 R C 2.073 178.127 176.300 -0.409 0.000 1.126 303 R CA 1.310 57.300 56.100 -0.184 0.000 0.963 303 R CB -0.462 29.684 30.300 -0.257 0.000 0.858 303 R HN 0.502 nan 8.270 nan 0.000 0.435 304 L N 0.162 121.062 121.223 -0.538 0.000 2.093 304 L HA -0.125 4.222 4.340 0.013 0.000 0.208 304 L C 2.316 178.797 176.870 -0.649 0.000 1.085 304 L CA 1.639 56.038 54.840 -0.735 0.000 0.755 304 L CB -0.566 41.206 42.059 -0.480 0.000 0.904 304 L HN 0.358 nan 8.230 nan 0.000 0.435 305 T N -5.363 108.935 114.554 -0.426 0.000 3.086 305 T HA 0.008 4.366 4.350 0.013 0.000 0.250 305 T C 0.547 175.121 174.700 -0.210 0.000 1.074 305 T CA -0.302 61.625 62.100 -0.288 0.000 0.988 305 T CB -0.191 68.605 68.868 -0.121 0.000 0.988 305 T HN 0.354 nan 8.240 nan 0.000 0.530 306 H N 0.700 119.764 119.070 -0.011 0.000 2.713 306 H HA -0.120 4.444 4.556 0.014 0.000 0.311 306 H C -0.481 174.867 175.328 0.033 0.000 1.175 306 H CA 0.812 56.874 56.048 0.023 0.000 1.143 306 H CB -2.441 27.335 29.762 0.025 0.000 1.434 306 H HN 0.539 nan 8.280 nan 0.000 0.418 307 S N -0.204 115.551 115.700 0.092 0.000 2.599 307 S HA 0.556 5.034 4.470 0.013 0.000 0.294 307 S C -2.302 172.354 174.600 0.094 0.000 1.094 307 S CA -1.408 56.846 58.200 0.091 0.000 0.931 307 S CB 3.017 66.261 63.200 0.074 0.000 1.093 307 S HN -0.062 nan 8.310 nan 0.000 0.488 308 P HA 0.125 nan 4.420 nan 0.000 0.269 308 P C -0.884 176.372 177.300 -0.073 0.000 1.217 308 P CA -0.369 62.722 63.100 -0.015 0.000 0.783 308 P CB 0.302 31.953 31.700 -0.082 0.000 0.898 309 V N 2.476 122.271 119.914 -0.197 0.000 2.614 309 V HA 0.071 4.199 4.120 0.013 0.000 0.291 309 V C 0.164 176.062 176.094 -0.326 0.000 1.049 309 V CA 0.331 62.492 62.300 -0.232 0.000 1.038 309 V CB -0.292 31.295 31.823 -0.392 0.000 0.980 309 V HN 0.513 nan 8.190 nan 0.000 0.481 310 H N 2.549 121.548 119.070 -0.118 0.000 2.786 310 H HA 0.602 5.166 4.556 0.013 0.000 0.284 310 H C -0.674 174.586 175.328 -0.113 0.000 1.104 310 H CA -0.315 55.671 56.048 -0.103 0.000 1.339 310 H CB 0.951 30.661 29.762 -0.088 0.000 1.427 310 H HN 0.858 nan 8.280 nan 0.000 0.497 311 D N 0.852 121.220 120.400 -0.053 0.000 2.837 311 D HA 0.178 4.825 4.640 0.013 0.000 0.220 311 D C -1.013 175.269 176.300 -0.030 0.000 1.236 311 D CA -0.536 53.415 54.000 -0.081 0.000 0.838 311 D CB 1.718 42.431 40.800 -0.145 0.000 1.647 311 D HN 0.321 nan 8.370 nan 0.000 0.486 312 D N 1.805 122.154 120.400 -0.086 0.000 2.837 312 D HA 0.191 4.839 4.640 0.013 0.000 0.340 312 D C 0.326 176.460 176.300 -0.276 0.000 1.451 312 D CA 0.246 54.224 54.000 -0.036 0.000 0.798 312 D CB 0.470 41.271 40.800 0.002 0.000 1.169 312 D HN 0.445 nan 8.370 nan 0.000 0.449 313 T N -3.429 110.792 114.554 -0.556 0.000 3.066 313 T HA 0.114 4.472 4.350 0.013 0.000 0.176 313 T C 1.554 175.470 174.700 -1.306 0.000 0.826 313 T CA 0.810 62.081 62.100 -1.381 0.000 1.280 313 T CB -0.373 67.779 68.868 -1.194 0.000 2.214 313 T HN -0.074 nan 8.240 nan 0.000 0.399 314 S N 1.546 116.660 115.700 -0.978 0.000 2.524 314 S HA 0.247 4.725 4.470 0.013 0.000 0.216 314 S C 1.181 175.597 174.600 -0.307 0.000 0.987 314 S CA 0.064 57.947 58.200 -0.528 0.000 0.909 314 S CB -0.722 62.285 63.200 -0.321 0.000 0.781 314 S HN 0.904 nan 8.310 nan 0.000 0.521 315 S N 2.496 117.991 115.700 -0.341 0.000 2.572 315 S HA 0.243 4.721 4.470 0.013 0.000 0.279 315 S C -0.128 174.237 174.600 -0.392 0.000 1.341 315 S CA -0.694 57.329 58.200 -0.295 0.000 1.043 315 S CB 0.221 63.252 63.200 -0.280 0.000 0.887 315 S HN 0.352 nan 8.310 nan 0.000 0.516 316 N N 1.377 119.912 118.700 -0.274 0.000 2.406 316 N HA 0.100 4.848 4.740 0.013 0.000 0.251 316 N C 0.856 176.225 175.510 -0.235 0.000 1.069 316 N CA -0.288 52.613 53.050 -0.249 0.000 0.947 316 N CB 0.179 38.605 38.487 -0.103 0.000 1.111 316 N HN 0.686 nan 8.380 nan 0.000 0.497 317 H N 2.391 121.399 119.070 -0.103 0.000 2.353 317 H HA -0.074 4.489 4.556 0.012 0.000 0.300 317 H C 1.143 176.413 175.328 -0.096 0.000 1.090 317 H CA 1.605 57.581 56.048 -0.120 0.000 1.327 317 H CB -0.265 29.436 29.762 -0.101 0.000 1.383 317 H HN 0.517 nan 8.280 nan 0.000 0.508 318 T N 1.770 116.355 114.554 0.052 0.000 2.737 318 T HA -0.104 4.254 4.350 0.013 0.000 0.265 318 T C 2.260 176.969 174.700 0.016 0.000 1.038 318 T CA 0.830 62.947 62.100 0.028 0.000 1.144 318 T CB -0.479 68.404 68.868 0.027 0.000 0.866 318 T HN 0.045 nan 8.240 nan 0.000 0.434 319 L N 1.569 122.796 121.223 0.006 0.000 2.079 319 L HA -0.084 4.264 4.340 0.013 0.000 0.210 319 L C 1.340 178.230 176.870 0.034 0.000 1.081 319 L CA 1.815 56.676 54.840 0.035 0.000 0.752 319 L CB -0.575 41.506 42.059 0.037 0.000 0.896 319 L HN 0.105 nan 8.230 nan 0.000 0.433 320 D N -2.038 118.316 120.400 -0.076 0.000 2.340 320 D HA 0.017 4.665 4.640 0.013 0.000 0.220 320 D C 2.133 178.361 176.300 -0.119 0.000 1.039 320 D CA 0.889 54.758 54.000 -0.218 0.000 0.866 320 D CB 0.139 40.600 40.800 -0.565 0.000 0.913 320 D HN 0.455 nan 8.370 nan 0.000 0.523 321 S N -1.511 114.165 115.700 -0.041 0.000 2.528 321 S HA 0.074 4.552 4.470 0.013 0.000 0.219 321 S C 0.976 175.587 174.600 0.017 0.000 0.985 321 S CA -0.393 57.792 58.200 -0.025 0.000 0.914 321 S CB 0.304 63.490 63.200 -0.023 0.000 0.776 321 S HN 0.013 nan 8.310 nan 0.000 0.526 322 S N 1.097 116.827 115.700 0.050 0.000 2.526 322 S HA 0.588 5.066 4.470 0.013 0.000 0.293 322 S C -2.499 172.142 174.600 0.068 0.000 1.092 322 S CA -1.658 56.575 58.200 0.054 0.000 0.980 322 S CB 1.611 64.839 63.200 0.048 0.000 1.048 322 S HN -0.084 nan 8.310 nan 0.000 0.483 323 P HA -0.014 nan 4.420 nan 0.000 0.219 323 P C 1.172 178.447 177.300 -0.041 0.000 1.146 323 P CA 1.311 64.401 63.100 -0.016 0.000 0.808 323 P CB 0.062 31.755 31.700 -0.012 0.000 0.779 324 A N -0.669 122.167 122.820 0.026 0.000 1.969 324 A HA -0.130 4.197 4.320 0.013 0.000 0.218 324 A C 1.987 179.660 177.584 0.148 0.000 1.169 324 A CA 2.310 54.391 52.037 0.074 0.000 0.635 324 A CB -1.490 17.560 19.000 0.083 0.000 0.810 324 A HN 0.341 nan 8.150 nan 0.000 0.445 325 T N -6.272 108.370 114.554 0.147 0.000 3.010 325 T HA 0.421 4.779 4.350 0.013 0.000 0.257 325 T C -0.033 174.834 174.700 0.278 0.000 1.020 325 T CA -0.016 62.254 62.100 0.284 0.000 0.938 325 T CB 0.020 69.026 68.868 0.231 0.000 1.049 325 T HN 0.230 nan 8.240 nan 0.000 0.522 326 F N 2.451 122.327 119.950 -0.123 0.000 3.065 326 F HA 0.435 4.970 4.527 0.013 0.000 0.383 326 F C -3.185 172.471 175.800 -0.240 0.000 1.259 326 F CA -2.199 55.684 58.000 -0.194 0.000 1.217 326 F CB 1.449 40.405 39.000 -0.073 0.000 2.042 326 F HN -0.134 nan 8.300 nan 0.000 0.641 327 P HA 0.263 nan 4.420 nan 0.000 0.276 327 P C 0.469 177.630 177.300 -0.231 0.000 1.235 327 P CA -0.035 62.851 63.100 -0.357 0.000 0.772 327 P CB 1.169 32.586 31.700 -0.472 0.000 0.871 328 L N 1.838 123.036 121.223 -0.041 0.000 2.585 328 L HA 0.186 4.534 4.340 0.013 0.000 0.226 328 L C 1.017 178.026 176.870 0.231 0.000 1.113 328 L CA 0.530 55.422 54.840 0.088 0.000 0.876 328 L CB -0.192 41.947 42.059 0.133 0.000 1.072 328 L HN 0.374 nan 8.230 nan 0.000 0.468 329 N N -0.685 118.083 118.700 0.114 0.000 2.235 329 N HA 0.145 4.892 4.740 0.013 0.000 0.231 329 N C 0.019 175.543 175.510 0.024 0.000 1.177 329 N CA 0.001 53.094 53.050 0.072 0.000 0.874 329 N CB 0.991 39.453 38.487 -0.042 0.000 1.097 329 N HN 0.046 nan 8.380 nan 0.000 0.518 330 S N -0.294 115.391 115.700 -0.024 0.000 2.614 330 S HA 0.186 4.664 4.470 0.013 0.000 0.265 330 S C 1.347 175.821 174.600 -0.209 0.000 1.303 330 S CA 0.053 58.100 58.200 -0.254 0.000 1.000 330 S CB 1.492 64.312 63.200 -0.633 0.000 0.935 330 S HN 0.144 nan 8.310 nan 0.000 0.551 331 T N 0.786 115.192 114.554 -0.247 0.000 2.990 331 T HA 0.288 4.646 4.350 0.013 0.000 0.249 331 T C 0.137 174.625 174.700 -0.353 0.000 1.039 331 T CA 0.315 62.337 62.100 -0.130 0.000 1.036 331 T CB -0.060 68.770 68.868 -0.063 0.000 0.994 331 T HN 0.300 nan 8.240 nan 0.000 0.489 332 L N 1.521 122.468 121.223 -0.460 0.000 2.341 332 L HA 0.595 4.943 4.340 0.013 0.000 0.278 332 L C -1.451 175.092 176.870 -0.544 0.000 1.005 332 L CA -1.131 53.482 54.840 -0.378 0.000 0.818 332 L CB 1.606 43.595 42.059 -0.115 0.000 1.259 332 L HN 0.132 nan 8.230 nan 0.000 0.418 333 Y N 1.302 121.477 120.300 -0.208 0.000 2.512 333 Y HA 0.778 5.337 4.550 0.015 0.000 0.348 333 Y C -0.085 175.656 175.900 -0.265 0.000 0.990 333 Y CA -0.905 57.103 58.100 -0.154 0.000 1.033 333 Y CB 2.415 40.799 38.460 -0.127 0.000 1.259 333 Y HN 0.549 nan 8.280 nan 0.000 0.461 334 A N 2.099 124.838 122.820 -0.134 0.000 2.408 334 A HA 0.708 5.035 4.320 0.013 0.000 0.295 334 A C -1.803 175.549 177.584 -0.388 0.000 1.040 334 A CA -0.689 51.076 52.037 -0.453 0.000 0.707 334 A CB 1.046 19.660 19.000 -0.643 0.000 1.235 334 A HN 0.643 nan 8.150 nan 0.000 0.418 335 D N 1.001 121.061 120.400 -0.566 0.000 2.481 335 D HA 0.659 5.307 4.640 0.013 0.000 0.244 335 D C -1.388 174.442 176.300 -0.784 0.000 1.057 335 D CA 0.259 54.036 54.000 -0.372 0.000 0.848 335 D CB 1.689 42.467 40.800 -0.036 0.000 1.388 335 D HN 0.300 nan 8.370 nan 0.000 0.475 336 F N 0.578 120.436 119.950 -0.153 0.000 2.507 336 F HA 0.513 5.047 4.527 0.011 0.000 0.325 336 F C 0.755 176.474 175.800 -0.135 0.000 1.116 336 F CA -0.433 57.467 58.000 -0.167 0.000 0.930 336 F CB 2.149 41.047 39.000 -0.171 0.000 1.146 336 F HN 0.112 nan 8.300 nan 0.000 0.447 337 S N 0.650 116.323 115.700 -0.045 0.000 2.973 337 S HA 0.514 4.991 4.470 0.013 0.000 0.317 337 S C -1.329 173.156 174.600 -0.192 0.000 1.196 337 S CA -0.651 57.488 58.200 -0.101 0.000 0.894 337 S CB 1.023 64.177 63.200 -0.077 0.000 1.292 337 S HN 0.606 nan 8.310 nan 0.000 0.614 338 H N 1.256 120.359 119.070 0.055 0.000 2.544 338 H HA 0.243 4.807 4.556 0.013 0.000 0.342 338 H C 0.309 175.610 175.328 -0.045 0.000 1.185 338 H CA -0.124 55.958 56.048 0.058 0.000 1.264 338 H CB 0.949 30.782 29.762 0.118 0.000 1.607 338 H HN 0.778 nan 8.280 nan 0.000 0.550 339 D N 0.699 121.140 120.400 0.069 0.000 2.123 339 D HA -0.196 4.451 4.640 0.013 0.000 0.196 339 D C 1.009 177.286 176.300 -0.038 0.000 0.992 339 D CA 1.099 55.091 54.000 -0.014 0.000 0.833 339 D CB -0.249 40.533 40.800 -0.031 0.000 0.954 339 D HN 0.316 nan 8.370 nan 0.000 0.455 340 N N 0.999 119.639 118.700 -0.100 0.000 2.043 340 N HA -0.088 4.660 4.740 0.013 0.000 0.193 340 N C 2.113 177.526 175.510 -0.161 0.000 1.037 340 N CA 1.886 54.718 53.050 -0.363 0.000 0.851 340 N CB -1.009 37.094 38.487 -0.640 0.000 1.027 340 N HN 0.489 nan 8.380 nan 0.000 0.422 341 G N 1.089 109.867 108.800 -0.037 0.000 2.422 341 G HA2 -0.159 3.809 3.960 0.013 0.000 0.218 341 G HA3 -0.159 3.809 3.960 0.013 0.000 0.218 341 G C 1.664 176.546 174.900 -0.030 0.000 1.146 341 G CA 0.452 45.550 45.100 -0.004 0.000 0.769 341 G HN 0.287 nan 8.290 nan 0.000 0.547 342 I N 0.721 121.266 120.570 -0.042 0.000 2.226 342 I HA -0.131 4.046 4.170 0.013 0.000 0.245 342 I C 2.558 178.711 176.117 0.059 0.000 1.100 342 I CA 0.412 61.684 61.300 -0.046 0.000 1.374 342 I CB -0.167 37.794 38.000 -0.064 0.000 1.057 342 I HN 0.069 nan 8.210 nan 0.000 0.413 343 I N 0.589 121.224 120.570 0.109 0.000 2.127 343 I HA -0.286 3.892 4.170 0.013 0.000 0.241 343 I C 2.686 179.018 176.117 0.358 0.000 1.075 343 I CA 1.678 63.137 61.300 0.266 0.000 1.334 343 I CB -1.111 37.049 38.000 0.268 0.000 1.040 343 I HN 0.192 nan 8.210 nan 0.000 0.405 344 S N 0.824 116.661 115.700 0.230 0.000 2.370 344 S HA -0.124 4.354 4.470 0.013 0.000 0.226 344 S C 2.076 176.807 174.600 0.219 0.000 1.033 344 S CA 1.171 59.494 58.200 0.205 0.000 1.011 344 S CB -0.275 62.984 63.200 0.098 0.000 0.852 344 S HN 0.354 nan 8.310 nan 0.000 0.457 345 I N 1.301 121.956 120.570 0.142 0.000 2.226 345 I HA -0.182 3.995 4.170 0.013 0.000 0.245 345 I C 2.063 178.281 176.117 0.169 0.000 1.100 345 I CA 1.056 62.433 61.300 0.128 0.000 1.374 345 I CB -0.412 37.574 38.000 -0.024 0.000 1.057 345 I HN 0.240 nan 8.210 nan 0.000 0.413 346 L N -0.361 120.957 121.223 0.159 0.000 2.042 346 L HA -0.235 4.113 4.340 0.013 0.000 0.210 346 L C 2.520 179.419 176.870 0.048 0.000 1.076 346 L CA 1.629 56.541 54.840 0.121 0.000 0.749 346 L CB -0.606 41.550 42.059 0.162 0.000 0.893 346 L HN 0.138 nan 8.230 nan 0.000 0.432 347 F N -0.198 119.855 119.950 0.172 0.000 2.163 347 F HA -0.110 4.425 4.527 0.013 0.000 0.297 347 F C 2.604 178.452 175.800 0.080 0.000 1.094 347 F CA 1.068 59.128 58.000 0.101 0.000 1.290 347 F CB -0.658 38.338 39.000 -0.006 0.000 1.017 347 F HN -0.023 nan 8.300 nan 0.000 0.483 348 A N -0.194 122.803 122.820 0.295 0.000 2.070 348 A HA -0.100 4.228 4.320 0.013 0.000 0.220 348 A C 1.990 179.708 177.584 0.223 0.000 1.159 348 A CA 1.130 53.349 52.037 0.303 0.000 0.656 348 A CB -0.970 18.201 19.000 0.284 0.000 0.800 348 A HN 0.431 nan 8.150 nan 0.000 0.453 349 L N -1.206 120.120 121.223 0.172 0.000 2.591 349 L HA 0.174 4.522 4.340 0.013 0.000 0.228 349 L C 1.635 178.568 176.870 0.104 0.000 1.133 349 L CA 0.444 55.371 54.840 0.144 0.000 0.880 349 L CB -0.288 41.887 42.059 0.193 0.000 1.033 349 L HN 0.558 nan 8.230 nan 0.000 0.450 350 G N 0.334 109.179 108.800 0.074 0.000 2.168 350 G HA2 -0.307 3.661 3.960 0.013 0.000 0.257 350 G HA3 -0.307 3.661 3.960 0.013 0.000 0.257 350 G C 0.852 175.747 174.900 -0.007 0.000 0.997 350 G CA 0.443 45.562 45.100 0.032 0.000 0.708 350 G HN 0.373 nan 8.290 nan 0.000 0.520 351 L N -1.947 119.211 121.223 -0.108 0.000 2.275 351 L HA 0.072 4.420 4.340 0.013 0.000 0.215 351 L C 1.617 178.059 176.870 -0.714 0.000 1.119 351 L CA 0.973 55.609 54.840 -0.340 0.000 0.790 351 L CB -0.093 41.678 42.059 -0.479 0.000 0.919 351 L HN 0.344 nan 8.230 nan 0.000 0.443 352 Y N -1.213 118.954 120.300 -0.222 0.000 2.736 352 Y HA 0.189 4.747 4.550 0.013 0.000 0.293 352 Y C 1.261 177.047 175.900 -0.191 0.000 1.062 352 Y CA -0.590 57.375 58.100 -0.226 0.000 1.247 352 Y CB -0.470 37.718 38.460 -0.452 0.000 1.200 352 Y HN 0.022 nan 8.280 nan 0.000 0.552 353 N N 0.212 118.716 118.700 -0.327 0.000 2.453 353 N HA -0.075 4.673 4.740 0.013 0.000 0.183 353 N C 1.968 177.287 175.510 -0.319 0.000 1.041 353 N CA 1.145 53.981 53.050 -0.357 0.000 0.900 353 N CB -0.038 38.157 38.487 -0.487 0.000 0.961 353 N HN 0.510 nan 8.380 nan 0.000 0.443 354 G N -1.031 107.567 108.800 -0.338 0.000 3.233 354 G HA2 0.034 4.002 3.960 0.013 0.000 0.227 354 G HA3 0.034 4.002 3.960 0.013 0.000 0.227 354 G C -0.129 174.780 174.900 0.015 0.000 1.175 354 G CA -0.098 44.948 45.100 -0.089 0.000 0.781 354 G HN 0.088 nan 8.290 nan 0.000 0.542 355 T N 1.191 115.766 114.554 0.035 0.000 2.749 355 T HA 0.380 4.737 4.350 0.013 0.000 0.287 355 T C 0.106 174.819 174.700 0.021 0.000 0.970 355 T CA -0.368 61.765 62.100 0.056 0.000 0.980 355 T CB 2.004 70.936 68.868 0.107 0.000 0.924 355 T HN 0.069 nan 8.240 nan 0.000 0.456 356 K N 3.094 123.491 120.400 -0.005 0.000 2.098 356 K HA 0.359 4.687 4.320 0.013 0.000 0.257 356 K C -2.382 174.191 176.600 -0.045 0.000 0.999 356 K CA -2.004 54.282 56.287 -0.002 0.000 0.924 356 K CB 0.345 32.849 32.500 0.006 0.000 1.028 356 K HN 0.280 nan 8.250 nan 0.000 0.466 357 P HA -0.095 nan 4.420 nan 0.000 0.261 357 P C -0.681 176.592 177.300 -0.045 0.000 1.173 357 P CA 0.416 63.549 63.100 0.054 0.000 0.760 357 P CB 0.316 32.128 31.700 0.186 0.000 0.783 358 L N 1.967 123.032 121.223 -0.263 0.000 2.453 358 L HA 0.089 4.437 4.340 0.013 0.000 0.272 358 L C 1.163 178.142 176.870 0.182 0.000 1.182 358 L CA -0.061 54.727 54.840 -0.085 0.000 0.858 358 L CB 0.342 42.254 42.059 -0.245 0.000 1.120 358 L HN 0.416 nan 8.230 nan 0.000 0.474 359 S N 0.929 116.732 115.700 0.171 0.000 2.549 359 S HA 0.032 4.509 4.470 0.013 0.000 0.286 359 S C 1.211 175.937 174.600 0.211 0.000 1.314 359 S CA -0.245 58.051 58.200 0.161 0.000 1.062 359 S CB 0.681 63.943 63.200 0.103 0.000 0.865 359 S HN 0.761 nan 8.310 nan 0.000 0.498 360 T N 0.911 115.554 114.554 0.148 0.000 3.129 360 T HA 0.074 4.431 4.350 0.013 0.000 0.251 360 T C 1.331 176.211 174.700 0.300 0.000 1.117 360 T CA 0.661 62.842 62.100 0.135 0.000 1.034 360 T CB -0.304 68.550 68.868 -0.022 0.000 0.968 360 T HN 0.718 nan 8.240 nan 0.000 0.526 361 T N -1.591 113.132 114.554 0.281 0.000 2.964 361 T HA 0.242 4.600 4.350 0.013 0.000 0.249 361 T C 0.562 175.460 174.700 0.329 0.000 1.000 361 T CA -0.109 62.175 62.100 0.306 0.000 0.992 361 T CB 0.255 69.211 68.868 0.147 0.000 1.087 361 T HN 0.305 nan 8.240 nan 0.000 0.489 362 T N 2.298 116.984 114.554 0.220 0.000 2.876 362 T HA 0.644 5.001 4.350 0.013 0.000 0.289 362 T C -0.355 174.221 174.700 -0.207 0.000 1.014 362 T CA -0.604 61.544 62.100 0.080 0.000 0.986 362 T CB 2.416 71.288 68.868 0.007 0.000 1.021 362 T HN 0.052 nan 8.240 nan 0.000 0.458 363 V N 3.086 122.768 119.914 -0.387 0.000 2.637 363 V HA 0.191 4.319 4.120 0.013 0.000 0.296 363 V C 0.413 176.097 176.094 -0.683 0.000 1.046 363 V CA 0.056 61.731 62.300 -1.042 0.000 1.066 363 V CB 0.385 31.892 31.823 -0.525 0.000 0.968 363 V HN 0.821 nan 8.190 nan 0.000 0.483 364 E N 3.126 122.879 120.200 -0.745 0.000 2.222 364 E HA 0.346 4.704 4.350 0.013 0.000 0.267 364 E C -0.697 175.816 176.600 -0.146 0.000 0.884 364 E CA -0.729 55.524 56.400 -0.245 0.000 0.764 364 E CB 1.850 31.505 29.700 -0.075 0.000 1.169 364 E HN 0.900 nan 8.360 nan 0.000 0.413 365 N N 1.245 119.878 118.700 -0.111 0.000 2.379 365 N HA 0.050 4.798 4.740 0.013 0.000 0.260 365 N C 0.634 176.070 175.510 -0.123 0.000 1.254 365 N CA -0.503 52.485 53.050 -0.103 0.000 0.958 365 N CB 0.796 39.236 38.487 -0.078 0.000 1.208 365 N HN 0.424 nan 8.380 nan 0.000 0.532 366 I N -0.558 119.884 120.570 -0.213 0.000 2.657 366 I HA -0.184 3.994 4.170 0.013 0.000 0.261 366 I C 1.481 177.487 176.117 -0.185 0.000 1.212 366 I CA 1.436 62.531 61.300 -0.341 0.000 1.453 366 I CB -0.627 36.915 38.000 -0.764 0.000 1.092 366 I HN 0.761 nan 8.210 nan 0.000 0.452 367 T N -0.469 114.027 114.554 -0.096 0.000 2.851 367 T HA -0.113 4.245 4.350 0.013 0.000 0.262 367 T C 1.784 176.478 174.700 -0.011 0.000 1.043 367 T CA 1.114 63.198 62.100 -0.027 0.000 1.140 367 T CB -0.037 68.827 68.868 -0.007 0.000 0.872 367 T HN 0.422 nan 8.240 nan 0.000 0.446 368 Q N 0.795 120.580 119.800 -0.025 0.000 2.119 368 Q HA -0.070 4.277 4.340 0.013 0.000 0.201 368 Q C 2.355 178.354 176.000 -0.001 0.000 0.972 368 Q CA 1.575 57.371 55.803 -0.012 0.000 0.847 368 Q CB -0.261 28.462 28.738 -0.025 0.000 0.903 368 Q HN 0.595 nan 8.270 nan 0.000 0.433 369 T N -2.456 112.093 114.554 -0.009 0.000 3.169 369 T HA 0.036 4.394 4.350 0.013 0.000 0.250 369 T C 0.141 174.889 174.700 0.080 0.000 1.111 369 T CA 0.374 62.486 62.100 0.020 0.000 1.010 369 T CB 0.052 68.935 68.868 0.024 0.000 0.984 369 T HN 0.200 nan 8.240 nan 0.000 0.537 370 D N 1.038 121.481 120.400 0.072 0.000 2.689 370 D HA -0.127 4.521 4.640 0.013 0.000 0.237 370 D C 1.180 177.613 176.300 0.221 0.000 1.148 370 D CA 1.462 55.543 54.000 0.135 0.000 0.656 370 D CB -1.562 39.330 40.800 0.153 0.000 1.050 370 D HN 0.912 nan 8.370 nan 0.000 0.426 371 G N -0.641 108.234 108.800 0.124 0.000 2.179 371 G HA2 -0.315 3.652 3.960 0.013 0.000 0.260 371 G HA3 -0.315 3.652 3.960 0.013 0.000 0.260 371 G C 0.178 175.195 174.900 0.195 0.000 0.977 371 G CA 0.114 45.333 45.100 0.197 0.000 0.641 371 G HN 0.701 nan 8.290 nan 0.000 0.533 372 F N 2.505 122.407 119.950 -0.080 0.000 2.408 372 F HA 0.677 5.212 4.527 0.012 0.000 0.344 372 F C 0.358 176.003 175.800 -0.258 0.000 1.112 372 F CA -0.175 57.655 58.000 -0.284 0.000 1.096 372 F CB 1.774 40.517 39.000 -0.429 0.000 1.129 372 F HN 0.716 nan 8.300 nan 0.000 0.486 373 S N 2.678 117.596 115.700 -1.303 0.000 2.565 373 S HA 0.252 4.729 4.470 0.013 0.000 0.274 373 S C -0.111 173.974 174.600 -0.859 0.000 1.144 373 S CA -0.416 57.205 58.200 -0.964 0.000 0.849 373 S CB 1.104 63.981 63.200 -0.538 0.000 1.103 373 S HN 0.516 nan 8.310 nan 0.000 0.455 374 S N 1.067 116.439 115.700 -0.547 0.000 2.382 374 S HA -0.028 4.449 4.470 0.013 0.000 0.228 374 S C 2.190 176.695 174.600 -0.159 0.000 1.027 374 S CA 1.506 59.519 58.200 -0.313 0.000 0.991 374 S CB -0.840 62.238 63.200 -0.203 0.000 0.823 374 S HN 1.076 nan 8.310 nan 0.000 0.469 375 A N -0.119 122.678 122.820 -0.038 0.000 2.015 375 A HA -0.071 4.257 4.320 0.013 0.000 0.219 375 A C 1.588 179.259 177.584 0.144 0.000 1.163 375 A CA 0.991 53.119 52.037 0.152 0.000 0.646 375 A CB -0.617 18.604 19.000 0.368 0.000 0.806 375 A HN 0.653 nan 8.150 nan 0.000 0.448 376 W N 0.029 121.191 121.300 -0.229 0.000 2.863 376 W HA 0.090 4.758 4.660 0.013 0.000 0.258 376 W C 2.383 178.769 176.519 -0.222 0.000 1.298 376 W CA 1.355 58.548 57.345 -0.252 0.000 1.451 376 W CB -0.367 28.993 29.460 -0.168 0.000 1.107 376 W HN 0.513 nan 8.180 nan 0.000 0.641 377 T N -3.803 110.727 114.554 -0.040 0.000 3.085 377 T HA 0.085 4.443 4.350 0.013 0.000 0.241 377 T C 0.958 175.636 174.700 -0.037 0.000 0.988 377 T CA 1.008 63.093 62.100 -0.026 0.000 1.117 377 T CB -0.492 68.350 68.868 -0.043 0.000 0.978 377 T HN -0.139 nan 8.240 nan 0.000 0.454 378 V N 0.416 120.288 119.914 -0.070 0.000 2.699 378 V HA 0.536 4.664 4.120 0.013 0.000 0.311 378 V C -2.882 173.151 176.094 -0.101 0.000 1.160 378 V CA -2.426 59.831 62.300 -0.072 0.000 1.313 378 V CB -0.002 31.786 31.823 -0.059 0.000 1.553 378 V HN 0.236 nan 8.190 nan 0.000 0.630 379 P HA 0.284 nan 4.420 nan 0.000 0.277 379 P C -0.122 177.180 177.300 0.004 0.000 1.276 379 P CA -0.335 62.732 63.100 -0.054 0.000 0.788 379 P CB 0.834 32.540 31.700 0.011 0.000 1.114 380 F N -0.829 119.210 119.950 0.149 0.000 2.563 380 F HA 0.253 4.788 4.527 0.013 0.000 0.363 380 F C 1.691 177.556 175.800 0.109 0.000 1.123 380 F CA 1.005 59.081 58.000 0.128 0.000 1.307 380 F CB -1.139 37.989 39.000 0.212 0.000 1.115 380 F HN 0.590 nan 8.300 nan 0.000 0.592 381 A N 1.613 124.578 122.820 0.242 0.000 2.826 381 A HA -0.210 4.118 4.320 0.013 0.000 0.274 381 A C 0.897 178.469 177.584 -0.019 0.000 1.443 381 A CA 0.621 52.716 52.037 0.097 0.000 0.833 381 A CB -2.477 16.580 19.000 0.094 0.000 1.023 381 A HN 1.039 nan 8.150 nan 0.000 0.600 382 S N -0.132 115.568 115.700 -0.001 0.000 2.589 382 S HA 0.633 5.111 4.470 0.013 0.000 0.265 382 S C 0.242 174.735 174.600 -0.178 0.000 1.342 382 S CA 0.261 58.429 58.200 -0.053 0.000 1.005 382 S CB 1.037 64.213 63.200 -0.038 0.000 0.909 382 S HN 1.754 nan 8.310 nan 0.000 0.555 383 R N 0.797 121.149 120.500 -0.248 0.000 2.626 383 R HA 0.654 5.001 4.340 0.013 0.000 0.274 383 R C -1.974 174.118 176.300 -0.348 0.000 1.031 383 R CA -1.052 54.856 56.100 -0.319 0.000 0.898 383 R CB 0.549 30.612 30.300 -0.395 0.000 1.222 383 R HN 0.728 nan 8.270 nan 0.000 0.455 384 L N 2.042 123.108 121.223 -0.262 0.000 2.341 384 L HA 0.618 4.965 4.340 0.013 0.000 0.278 384 L C -1.733 175.117 176.870 -0.033 0.000 1.005 384 L CA -0.594 54.155 54.840 -0.152 0.000 0.818 384 L CB 1.477 43.513 42.059 -0.039 0.000 1.259 384 L HN 0.496 nan 8.230 nan 0.000 0.418 385 Y N 3.959 124.316 120.300 0.095 0.000 2.393 385 Y HA 0.685 5.242 4.550 0.013 0.000 0.341 385 Y C -0.401 175.575 175.900 0.126 0.000 0.988 385 Y CA -1.344 56.846 58.100 0.151 0.000 1.078 385 Y CB 2.223 40.837 38.460 0.257 0.000 1.203 385 Y HN 0.337 nan 8.280 nan 0.000 0.453 386 V N 4.135 124.231 119.914 0.304 0.000 2.376 386 V HA 0.394 4.522 4.120 0.013 0.000 0.287 386 V C -0.559 175.684 176.094 0.248 0.000 1.015 386 V CA -0.964 61.471 62.300 0.225 0.000 0.834 386 V CB 1.266 33.238 31.823 0.248 0.000 1.001 386 V HN 0.792 nan 8.190 nan 0.000 0.428 387 E N 5.003 125.313 120.200 0.183 0.000 2.227 387 E HA 0.806 5.163 4.350 0.013 0.000 0.268 387 E C -0.958 175.728 176.600 0.143 0.000 0.907 387 E CA -1.053 55.452 56.400 0.175 0.000 0.786 387 E CB 2.993 32.795 29.700 0.171 0.000 1.191 387 E HN 0.537 nan 8.360 nan 0.000 0.411 388 M N 3.621 123.333 119.600 0.186 0.000 2.465 388 M HA 0.485 4.972 4.480 0.013 0.000 0.316 388 M C -1.307 175.044 176.300 0.085 0.000 1.121 388 M CA -0.589 54.761 55.300 0.083 0.000 0.934 388 M CB 1.844 34.469 32.600 0.043 0.000 1.692 388 M HN 0.820 nan 8.290 nan 0.000 0.444 389 M N 1.943 121.569 119.600 0.044 0.000 2.618 389 M HA 0.586 5.073 4.480 0.013 0.000 0.281 389 M C -1.796 174.519 176.300 0.026 0.000 1.267 389 M CA -0.887 54.438 55.300 0.041 0.000 0.845 389 M CB 2.392 35.014 32.600 0.037 0.000 1.732 389 M HN 0.672 nan 8.290 nan 0.000 0.461 390 Q N 0.935 120.750 119.800 0.024 0.000 2.330 390 Q HA 0.667 5.015 4.340 0.013 0.000 0.269 390 Q C -1.912 174.095 176.000 0.012 0.000 1.022 390 Q CA -0.612 55.202 55.803 0.017 0.000 0.796 390 Q CB 2.418 31.168 28.738 0.020 0.000 1.271 390 Q HN 0.938 nan 8.270 nan 0.000 0.450 391 c N 1.841 120.446 118.600 0.008 0.000 2.667 391 c HA 0.260 4.838 4.570 0.013 0.000 0.323 391 c C 1.570 175.662 174.090 0.003 0.000 1.214 391 c CA -0.619 55.712 56.329 0.004 0.000 1.721 391 c CB 1.745 44.256 42.510 0.003 0.000 2.275 391 c HN 1.013 nan 8.230 nan 0.000 0.491 392 Q N 0.992 120.793 119.800 0.001 0.000 2.096 392 Q HA -0.246 4.102 4.340 0.013 0.000 0.208 392 Q C 2.088 178.088 176.000 0.001 0.000 0.993 392 Q CA 2.519 58.323 55.803 0.001 0.000 0.862 392 Q CB -0.112 28.626 28.738 -0.001 0.000 0.915 392 Q HN 0.942 nan 8.270 nan 0.000 0.416 393 A N 0.075 122.895 122.820 0.001 0.000 1.872 393 A HA -0.082 4.245 4.320 0.013 0.000 0.214 393 A C 1.089 178.674 177.584 0.002 0.000 1.187 393 A CA 0.746 52.783 52.037 0.001 0.000 0.614 393 A CB -0.253 18.747 19.000 0.000 0.000 0.826 393 A HN 0.395 nan 8.150 nan 0.000 0.442 394 E N -0.551 119.651 120.200 0.002 0.000 2.374 394 E HA 0.291 4.649 4.350 0.013 0.000 0.260 394 E C 0.742 177.345 176.600 0.004 0.000 1.101 394 E CA 0.145 56.547 56.400 0.003 0.000 0.907 394 E CB 0.718 30.420 29.700 0.002 0.000 1.014 394 E HN 0.440 nan 8.360 nan 0.000 0.427 395 Q N 1.122 120.925 119.800 0.004 0.000 2.390 395 Q HA 0.159 4.507 4.340 0.013 0.000 0.216 395 Q C -0.169 175.835 176.000 0.007 0.000 0.916 395 Q CA 0.360 56.166 55.803 0.006 0.000 0.911 395 Q CB 0.390 29.131 28.738 0.005 0.000 1.035 395 Q HN 0.524 nan 8.270 nan 0.000 0.541 396 E N 2.359 122.563 120.200 0.007 0.000 2.319 396 E HA 0.189 4.546 4.350 0.013 0.000 0.268 396 E C -2.356 174.247 176.600 0.006 0.000 1.050 396 E CA -2.104 54.300 56.400 0.007 0.000 0.878 396 E CB 0.761 30.465 29.700 0.006 0.000 1.066 396 E HN 0.021 nan 8.360 nan 0.000 0.406 397 P HA 0.104 nan 4.420 nan 0.000 0.275 397 P C -0.841 176.453 177.300 -0.010 0.000 1.228 397 P CA 0.070 63.171 63.100 0.002 0.000 0.786 397 P CB 0.690 32.393 31.700 0.004 0.000 0.927 398 L N 1.993 123.208 121.223 -0.014 0.000 2.317 398 L HA 0.486 4.833 4.340 0.013 0.000 0.281 398 L C 0.192 177.026 176.870 -0.060 0.000 1.024 398 L CA -1.156 53.666 54.840 -0.030 0.000 0.810 398 L CB 1.821 43.868 42.059 -0.019 0.000 1.240 398 L HN 0.097 nan 8.230 nan 0.000 0.427 399 V N 2.803 122.645 119.914 -0.120 0.000 2.532 399 V HA 0.616 4.743 4.120 0.013 0.000 0.295 399 V C -0.164 175.797 176.094 -0.221 0.000 1.041 399 V CA -0.615 61.550 62.300 -0.226 0.000 0.926 399 V CB 1.817 33.350 31.823 -0.482 0.000 0.992 399 V HN 0.766 nan 8.190 nan 0.000 0.457 400 R N 2.314 122.712 120.500 -0.170 0.000 2.626 400 R HA 0.766 5.113 4.340 0.013 0.000 0.274 400 R C -2.303 173.961 176.300 -0.060 0.000 1.031 400 R CA -0.448 55.588 56.100 -0.106 0.000 0.898 400 R CB 2.398 32.683 30.300 -0.024 0.000 1.222 400 R HN 0.507 nan 8.270 nan 0.000 0.455 401 V N 5.068 124.956 119.914 -0.044 0.000 2.487 401 V HA 0.505 4.632 4.120 0.013 0.000 0.298 401 V C -0.950 175.176 176.094 0.053 0.000 1.028 401 V CA -0.785 61.526 62.300 0.019 0.000 0.860 401 V CB 1.671 33.488 31.823 -0.010 0.000 0.991 401 V HN 0.566 nan 8.190 nan 0.000 0.427 402 L N 5.235 126.523 121.223 0.109 0.000 2.346 402 L HA 0.686 5.033 4.340 0.013 0.000 0.276 402 L C -0.395 176.479 176.870 0.006 0.000 1.006 402 L CA -0.408 54.480 54.840 0.080 0.000 0.817 402 L CB 2.108 44.267 42.059 0.167 0.000 1.272 402 L HN 0.383 nan 8.230 nan 0.000 0.421 403 V N 3.437 123.345 119.914 -0.010 0.000 2.376 403 V HA 0.360 4.488 4.120 0.013 0.000 0.287 403 V C -0.107 175.948 176.094 -0.066 0.000 1.015 403 V CA -0.779 61.504 62.300 -0.028 0.000 0.834 403 V CB 1.100 32.965 31.823 0.070 0.000 1.001 403 V HN 0.862 nan 8.190 nan 0.000 0.428 404 N N 4.273 122.905 118.700 -0.114 0.000 2.727 404 N HA -0.201 4.547 4.740 0.013 0.000 0.249 404 N C 0.280 175.785 175.510 -0.008 0.000 1.048 404 N CA 1.221 54.268 53.050 -0.005 0.000 0.714 404 N CB -0.610 37.847 38.487 -0.049 0.000 0.959 404 N HN 0.967 nan 8.380 nan 0.000 0.544 405 D N -2.639 117.742 120.400 -0.031 0.000 2.911 405 D HA -0.200 4.448 4.640 0.013 0.000 0.199 405 D C 0.347 176.638 176.300 -0.015 0.000 1.041 405 D CA 1.173 55.182 54.000 0.016 0.000 1.013 405 D CB -0.806 40.034 40.800 0.065 0.000 1.093 405 D HN 0.656 nan 8.370 nan 0.000 0.431 406 R N 1.049 121.521 120.500 -0.047 0.000 2.265 406 R HA 0.452 4.799 4.340 0.013 0.000 0.319 406 R C -0.379 175.931 176.300 0.017 0.000 1.006 406 R CA -0.447 55.634 56.100 -0.032 0.000 0.880 406 R CB 1.097 31.364 30.300 -0.054 0.000 1.077 406 R HN -0.157 nan 8.270 nan 0.000 0.454 407 V N 5.967 125.896 119.914 0.026 0.000 2.415 407 V HA 0.059 4.186 4.120 0.013 0.000 0.267 407 V C -0.006 176.103 176.094 0.025 0.000 1.042 407 V CA -0.142 62.175 62.300 0.029 0.000 1.000 407 V CB 1.187 33.024 31.823 0.024 0.000 1.015 407 V HN 0.488 nan 8.190 nan 0.000 0.478 408 V N 8.976 128.897 119.914 0.012 0.000 2.348 408 V HA 0.263 4.390 4.120 0.013 0.000 0.270 408 V C -2.032 174.036 176.094 -0.043 0.000 1.037 408 V CA -1.809 60.484 62.300 -0.011 0.000 0.872 408 V CB 1.175 32.966 31.823 -0.053 0.000 1.002 408 V HN 0.751 nan 8.190 nan 0.000 0.464 409 P HA 0.148 nan 4.420 nan 0.000 0.265 409 P C -0.242 176.944 177.300 -0.189 0.000 1.193 409 P CA -0.006 63.026 63.100 -0.114 0.000 0.765 409 P CB 0.473 32.097 31.700 -0.127 0.000 0.823 410 L N 3.676 124.809 121.223 -0.151 0.000 2.436 410 L HA 0.262 4.609 4.340 0.013 0.000 0.265 410 L C 0.652 177.382 176.870 -0.232 0.000 1.168 410 L CA -0.148 54.650 54.840 -0.070 0.000 0.815 410 L CB 0.100 42.197 42.059 0.063 0.000 1.109 410 L HN 0.501 nan 8.230 nan 0.000 0.462 411 H N -0.258 118.845 119.070 0.056 0.000 2.622 411 H HA 0.511 5.075 4.556 0.013 0.000 0.363 411 H C 0.678 176.028 175.328 0.036 0.000 1.151 411 H CA 0.299 56.365 56.048 0.031 0.000 1.184 411 H CB 1.931 31.694 29.762 0.002 0.000 1.643 411 H HN 0.727 nan 8.280 nan 0.000 0.531 412 G N 0.350 109.231 108.800 0.135 0.000 2.175 412 G HA2 -0.265 3.702 3.960 0.013 0.000 0.244 412 G HA3 -0.265 3.702 3.960 0.013 0.000 0.244 412 G C 0.113 175.042 174.900 0.048 0.000 0.982 412 G CA 0.086 45.229 45.100 0.071 0.000 0.641 412 G HN 0.997 nan 8.290 nan 0.000 0.527 413 c N -2.163 116.473 118.600 0.059 0.000 3.090 413 c HA 0.817 5.395 4.570 0.013 0.000 0.305 413 c C -2.740 171.370 174.090 0.034 0.000 1.292 413 c CA -2.246 54.116 56.329 0.056 0.000 1.482 413 c CB 1.347 43.922 42.510 0.109 0.000 1.897 413 c HN 0.159 nan 8.230 nan 0.000 0.469 414 P HA 0.267 nan 4.420 nan 0.000 0.271 414 P C 0.240 177.542 177.300 0.003 0.000 1.380 414 P CA 0.162 63.268 63.100 0.011 0.000 0.992 414 P CB 0.013 31.721 31.700 0.012 0.000 1.230 415 V N 0.934 120.838 119.914 -0.015 0.000 2.686 415 V HA 0.345 4.473 4.120 0.013 0.000 0.295 415 V C 0.489 176.571 176.094 -0.019 0.000 1.055 415 V CA -0.761 61.523 62.300 -0.026 0.000 1.050 415 V CB 0.658 32.447 31.823 -0.057 0.000 0.984 415 V HN 0.391 nan 8.190 nan 0.000 0.482 416 D N 3.535 123.925 120.400 -0.017 0.000 2.466 416 D HA 0.518 5.166 4.640 0.013 0.000 0.262 416 D C 1.147 177.440 176.300 -0.012 0.000 1.177 416 D CA -0.239 53.755 54.000 -0.011 0.000 1.035 416 D CB 1.240 42.035 40.800 -0.008 0.000 1.105 416 D HN 0.686 nan 8.370 nan 0.000 0.551 417 A N -0.466 122.350 122.820 -0.007 0.000 2.084 417 A HA -0.090 4.238 4.320 0.013 0.000 0.221 417 A C 1.970 179.551 177.584 -0.005 0.000 1.161 417 A CA 1.044 53.078 52.037 -0.005 0.000 0.653 417 A CB -0.824 18.175 19.000 -0.001 0.000 0.802 417 A HN 0.551 nan 8.150 nan 0.000 0.457 418 L N -1.653 119.566 121.223 -0.007 0.000 2.700 418 L HA 0.282 4.629 4.340 0.013 0.000 0.234 418 L C 1.507 178.370 176.870 -0.011 0.000 1.156 418 L CA 0.409 55.246 54.840 -0.006 0.000 0.946 418 L CB 0.011 42.067 42.059 -0.004 0.000 1.216 418 L HN 0.535 nan 8.230 nan 0.000 0.493 419 G N 0.780 109.568 108.800 -0.020 0.000 2.159 419 G HA2 -0.268 3.700 3.960 0.013 0.000 0.256 419 G HA3 -0.268 3.700 3.960 0.013 0.000 0.256 419 G C 0.310 175.182 174.900 -0.046 0.000 0.977 419 G CA -0.116 44.964 45.100 -0.034 0.000 0.652 419 G HN 0.396 nan 8.290 nan 0.000 0.531 420 R N -1.061 119.416 120.500 -0.038 0.000 2.573 420 R HA 0.757 5.104 4.340 0.013 0.000 0.272 420 R C -0.242 176.036 176.300 -0.037 0.000 1.009 420 R CA -0.248 55.822 56.100 -0.050 0.000 1.059 420 R CB 1.392 31.670 30.300 -0.037 0.000 1.112 420 R HN 0.198 nan 8.270 nan 0.000 0.517 421 c N 0.556 119.131 118.600 -0.042 0.000 2.797 421 c HA 0.390 4.967 4.570 0.013 0.000 0.306 421 c C 0.304 174.399 174.090 0.008 0.000 1.207 421 c CA -0.742 55.592 56.329 0.009 0.000 1.507 421 c CB 2.068 44.629 42.510 0.084 0.000 2.028 421 c HN 0.938 nan 8.230 nan 0.000 0.475 422 T N 0.000 114.571 114.554 0.028 0.000 2.903 422 T HA 0.127 4.484 4.350 0.013 0.000 0.314 422 T C 1.219 175.951 174.700 0.053 0.000 1.078 422 T CA -0.087 62.027 62.100 0.023 0.000 1.114 422 T CB 0.606 69.487 68.868 0.022 0.000 0.987 422 T HN 0.812 nan 8.240 nan 0.000 0.548 423 R N 0.996 121.512 120.500 0.028 0.000 2.096 423 R HA -0.173 4.175 4.340 0.013 0.000 0.240 423 R C 1.438 177.792 176.300 0.090 0.000 1.139 423 R CA 2.313 58.444 56.100 0.052 0.000 0.952 423 R CB -0.574 29.715 30.300 -0.018 0.000 0.854 423 R HN 0.788 nan 8.270 nan 0.000 0.436 424 D N -0.240 120.185 120.400 0.041 0.000 2.097 424 D HA -0.147 4.501 4.640 0.013 0.000 0.195 424 D C 2.034 178.351 176.300 0.028 0.000 0.989 424 D CA 1.989 56.002 54.000 0.022 0.000 0.827 424 D CB -0.160 40.644 40.800 0.007 0.000 0.966 424 D HN 0.362 nan 8.370 nan 0.000 0.456 425 S N -0.401 115.328 115.700 0.049 0.000 2.406 425 S HA -0.135 4.342 4.470 0.013 0.000 0.228 425 S C 1.962 176.601 174.600 0.064 0.000 1.020 425 S CA 0.195 58.421 58.200 0.043 0.000 0.965 425 S CB -0.686 62.540 63.200 0.045 0.000 0.798 425 S HN 0.270 nan 8.310 nan 0.000 0.488 426 F N 2.974 122.908 119.950 -0.027 0.000 2.075 426 F HA -0.028 4.507 4.527 0.012 0.000 0.297 426 F C 2.216 178.001 175.800 -0.024 0.000 1.113 426 F CA 1.253 59.238 58.000 -0.025 0.000 1.218 426 F CB -0.726 38.253 39.000 -0.035 0.000 0.984 426 F HN 0.065 nan 8.300 nan 0.000 0.472 427 V N 0.984 120.808 119.914 -0.150 0.000 2.343 427 V HA -0.295 3.832 4.120 0.013 0.000 0.247 427 V C 2.623 178.597 176.094 -0.201 0.000 1.051 427 V CA 2.270 64.431 62.300 -0.231 0.000 1.036 427 V CB -0.792 30.980 31.823 -0.085 0.000 0.654 427 V HN 0.322 nan 8.190 nan 0.000 0.451 428 R N 0.237 120.667 120.500 -0.116 0.000 2.105 428 R HA -0.145 4.203 4.340 0.013 0.000 0.239 428 R C 2.243 178.484 176.300 -0.098 0.000 1.135 428 R CA 1.629 57.678 56.100 -0.085 0.000 0.967 428 R CB -0.645 29.628 30.300 -0.044 0.000 0.861 428 R HN 0.561 nan 8.270 nan 0.000 0.442 429 G N 0.238 108.959 108.800 -0.131 0.000 2.509 429 G HA2 -0.102 3.866 3.960 0.013 0.000 0.218 429 G HA3 -0.102 3.866 3.960 0.013 0.000 0.218 429 G C 0.827 175.645 174.900 -0.137 0.000 1.124 429 G CA 0.091 45.124 45.100 -0.113 0.000 0.776 429 G HN 0.228 nan 8.290 nan 0.000 0.547 430 L N 2.599 123.688 121.223 -0.223 0.000 2.873 430 L HA 0.128 4.475 4.340 0.013 0.000 0.236 430 L C 2.178 179.011 176.870 -0.061 0.000 1.375 430 L CA -0.106 54.638 54.840 -0.160 0.000 1.239 430 L CB 0.116 42.014 42.059 -0.268 0.000 1.603 430 L HN 0.260 nan 8.230 nan 0.000 0.430 431 S N -0.100 115.591 115.700 -0.015 0.000 2.382 431 S HA -0.245 4.233 4.470 0.013 0.000 0.228 431 S C 1.809 176.444 174.600 0.058 0.000 1.027 431 S CA 0.708 58.913 58.200 0.009 0.000 0.991 431 S CB -0.468 62.744 63.200 0.020 0.000 0.823 431 S HN 0.545 nan 8.310 nan 0.000 0.469 432 F N 3.242 123.169 119.950 -0.038 0.000 2.095 432 F HA 0.039 4.574 4.527 0.013 0.000 0.298 432 F C 2.494 178.285 175.800 -0.016 0.000 1.104 432 F CA 0.946 58.935 58.000 -0.019 0.000 1.232 432 F CB -1.001 37.994 39.000 -0.009 0.000 0.987 432 F HN 0.284 nan 8.300 nan 0.000 0.475 433 A N 0.707 123.465 122.820 -0.103 0.000 1.873 433 A HA -0.143 4.185 4.320 0.013 0.000 0.215 433 A C 2.340 179.813 177.584 -0.185 0.000 1.186 433 A CA 1.509 53.423 52.037 -0.204 0.000 0.616 433 A CB -0.787 18.179 19.000 -0.056 0.000 0.823 433 A HN 0.432 nan 8.150 nan 0.000 0.442 434 R N 0.370 120.798 120.500 -0.121 0.000 2.159 434 R HA -0.121 4.227 4.340 0.013 0.000 0.237 434 R C 2.179 178.416 176.300 -0.105 0.000 1.131 434 R CA 1.605 57.642 56.100 -0.105 0.000 0.982 434 R CB -0.327 29.919 30.300 -0.091 0.000 0.868 434 R HN 0.713 nan 8.270 nan 0.000 0.453 435 S N -1.465 114.162 115.700 -0.122 0.000 2.548 435 S HA 0.146 4.624 4.470 0.013 0.000 0.215 435 S C 1.269 175.790 174.600 -0.132 0.000 0.976 435 S CA 0.313 58.451 58.200 -0.103 0.000 0.908 435 S CB 0.979 64.138 63.200 -0.068 0.000 0.781 435 S HN 0.468 nan 8.310 nan 0.000 0.519 436 G N 0.602 109.278 108.800 -0.208 0.000 2.131 436 G HA2 0.187 4.155 3.960 0.013 0.000 0.223 436 G HA3 0.187 4.155 3.960 0.013 0.000 0.223 436 G C 1.023 175.760 174.900 -0.271 0.000 0.990 436 G CA 0.143 45.127 45.100 -0.192 0.000 0.671 436 G HN 1.583 nan 8.290 nan 0.000 0.521 437 G N 0.253 108.666 108.800 -0.646 0.000 2.602 437 G HA2 -0.264 3.704 3.960 0.013 0.000 0.306 437 G HA3 -0.264 3.704 3.960 0.013 0.000 0.306 437 G C 0.183 174.954 174.900 -0.216 0.000 1.301 437 G CA 0.737 45.218 45.100 -1.030 0.000 0.974 437 G HN 0.854 nan 8.290 nan 0.000 0.547 438 D N 0.148 120.557 120.400 0.016 0.000 2.738 438 D HA 0.120 4.768 4.640 0.013 0.000 0.246 438 D C 1.210 177.533 176.300 0.039 0.000 1.270 438 D CA -0.285 53.759 54.000 0.074 0.000 0.833 438 D CB -0.259 40.605 40.800 0.107 0.000 1.040 438 D HN 0.506 nan 8.370 nan 0.000 0.487 439 W N 1.732 122.970 121.300 -0.104 0.000 2.350 439 W HA -0.247 4.422 4.660 0.014 0.000 0.289 439 W C 1.656 178.112 176.519 -0.106 0.000 1.215 439 W CA 1.515 58.794 57.345 -0.109 0.000 1.236 439 W CB 0.189 29.612 29.460 -0.061 0.000 1.130 439 W HN 0.113 nan 8.180 nan 0.000 0.541 440 A N 0.931 123.791 122.820 0.067 0.000 1.892 440 A HA -0.259 4.068 4.320 0.013 0.000 0.218 440 A C 1.664 179.173 177.584 -0.125 0.000 1.188 440 A CA 1.902 53.973 52.037 0.057 0.000 0.631 440 A CB -1.010 18.045 19.000 0.092 0.000 0.822 440 A HN 0.288 nan 8.150 nan 0.000 0.447 441 E N -0.389 119.713 120.200 -0.162 0.000 2.455 441 E HA -0.161 4.197 4.350 0.013 0.000 0.202 441 E C 1.829 178.201 176.600 -0.379 0.000 1.045 441 E CA 0.807 57.092 56.400 -0.192 0.000 0.872 441 E CB -0.844 28.781 29.700 -0.125 0.000 0.792 441 E HN 0.688 nan 8.360 nan 0.000 0.542 442 c N -0.289 117.852 118.600 -0.765 0.000 2.446 442 c HA -0.074 4.504 4.570 0.013 0.000 0.279 442 c C 1.966 175.419 174.090 -1.062 0.000 1.366 442 c CA 0.386 56.015 56.329 -1.167 0.000 1.763 442 c CB -0.965 40.258 42.510 -2.146 0.000 1.929 442 c HN 0.339 nan 8.230 nan 0.000 0.509 443 F N 0.474 120.317 119.950 -0.179 0.000 2.680 443 F HA 0.435 4.970 4.527 0.012 0.000 0.290 443 F C 1.477 177.239 175.800 -0.063 0.000 1.114 443 F CA 0.154 58.093 58.000 -0.101 0.000 1.333 443 F CB -1.116 37.840 39.000 -0.074 0.000 1.091 443 F HN -0.010 nan 8.300 nan 0.000 0.606 444 A N 0.000 122.857 122.820 0.062 0.000 2.254 444 A HA 0.000 4.328 4.320 0.013 0.000 0.244 444 A CA 0.000 52.059 52.037 0.037 0.000 0.836 444 A CB 0.000 19.018 19.000 0.031 0.000 0.831 444 A HN 0.000 nan 8.150 nan 0.000 0.486