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 2f5z_1_A DATA FIRST_RESID 3 DATA SEQUENCE QPIDADVTVI GSGPGGYVAA IKAAQLGFKT VCIEKNETLG GTcLNVGcIP DATA SEQUENCE SKALLNNSHY YHMAHGTDFA SRGIEMSEVR LNLDKMMEQK STAVKALTGG DATA SEQUENCE IAHLFKQNKV VHVNGYGKIT GKNQVTATKA DGGTQVIDTK NILIATGSEV DATA SEQUENCE TPFPGITIDE DTIVSSTGAL SLKKVPEKMV VIGAGVIGVE LGSVWQRLGA DATA SEQUENCE DVTAVEFLGH VGGVGIDMEI SKNFQRILQK QGFKFKLNTK VTGATKKSDG DATA SEQUENCE KIDVSIEAAS GGKAEVITCD VLLVCIGRRP FTKNLGLEEL GIELDPRGRI DATA SEQUENCE PVNTRFQTKI PNIYAIGDVV AGPMLAHKAE DEGIICVEGM AGGAVHIDYN DATA SEQUENCE CVPSVIYTHP EVAWVGKSEE QLKEEGIEYK VGKFPFAANS RAKTNADTDG DATA SEQUENCE MVKILGQKST DRVLGAHILG PGAGEMVNEA ALALEYGASC EDIARVCHAH DATA SEQUENCE PTLSEAFREA NLAASFGKSI NF 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.000 176.000 0.001 0.000 1.003 3 Q CA 0.000 55.804 55.803 0.001 0.000 1.022 3 Q CB 0.000 28.738 28.738 0.000 0.000 1.108 4 P HA 0.261 nan 4.420 nan 0.000 0.272 4 P C -0.437 176.863 177.300 0.001 0.000 1.243 4 P CA -0.073 63.029 63.100 0.002 0.000 0.803 4 P CB 0.877 32.579 31.700 0.003 0.000 0.974 5 I N -0.610 119.960 120.570 0.001 0.000 2.994 5 I HA 0.412 4.582 4.170 0.000 0.000 0.306 5 I C -1.493 174.625 176.117 0.001 0.000 1.195 5 I CA -0.726 60.574 61.300 -0.000 0.000 1.001 5 I CB 2.288 40.286 38.000 -0.004 0.000 1.244 5 I HN 0.553 nan 8.210 nan 0.000 0.437 6 D N 5.147 125.548 120.400 0.002 0.000 2.566 6 D HA 0.857 5.497 4.640 0.000 0.000 0.254 6 D C -1.357 174.945 176.300 0.004 0.000 1.090 6 D CA -0.607 53.396 54.000 0.004 0.000 1.034 6 D CB 2.226 43.030 40.800 0.008 0.000 1.434 6 D HN 0.895 nan 8.370 nan 0.000 0.509 7 A N 0.040 122.864 122.820 0.006 0.000 2.515 7 A HA 0.405 4.725 4.320 0.000 0.000 0.292 7 A C -0.843 176.749 177.584 0.013 0.000 1.065 7 A CA -0.518 51.524 52.037 0.009 0.000 0.641 7 A CB 1.129 20.125 19.000 -0.006 0.000 1.306 7 A HN 0.423 nan 8.150 nan 0.000 0.441 8 D N -0.724 119.693 120.400 0.028 0.000 2.216 8 D HA 0.261 4.901 4.640 0.000 0.000 0.208 8 D C 0.213 176.453 176.300 -0.100 0.000 0.960 8 D CA 1.467 55.479 54.000 0.021 0.000 0.861 8 D CB 0.416 41.318 40.800 0.170 0.000 0.985 8 D HN 0.291 nan 8.370 nan 0.000 0.493 9 V N 0.716 120.559 119.914 -0.118 0.000 2.569 9 V HA 0.341 4.461 4.120 0.000 0.000 0.301 9 V C -0.512 175.520 176.094 -0.103 0.000 1.044 9 V CA -0.641 61.548 62.300 -0.184 0.000 0.874 9 V CB 2.181 33.800 31.823 -0.340 0.000 1.002 9 V HN -0.141 nan 8.190 nan 0.000 0.424 10 T N 4.362 118.872 114.554 -0.074 0.000 2.770 10 T HA 0.551 4.901 4.350 0.000 0.000 0.283 10 T C -0.318 174.361 174.700 -0.035 0.000 0.988 10 T CA -0.379 61.695 62.100 -0.044 0.000 0.957 10 T CB 1.518 70.375 68.868 -0.019 0.000 0.930 10 T HN 0.343 nan 8.240 nan 0.000 0.443 11 V N 5.279 125.174 119.914 -0.032 0.000 2.394 11 V HA 0.441 4.561 4.120 0.000 0.000 0.282 11 V C 0.112 176.220 176.094 0.023 0.000 1.031 11 V CA -0.814 61.480 62.300 -0.011 0.000 0.881 11 V CB 1.152 32.966 31.823 -0.015 0.000 0.982 11 V HN 0.808 nan 8.190 nan 0.000 0.451 12 I N 4.793 125.382 120.570 0.031 0.000 2.307 12 I HA 0.697 4.867 4.170 0.000 0.000 0.287 12 I C 0.712 176.858 176.117 0.048 0.000 1.054 12 I CA -0.003 61.321 61.300 0.039 0.000 1.218 12 I CB 0.929 38.951 38.000 0.036 0.000 1.398 12 I HN 0.886 nan 8.210 nan 0.000 0.475 13 G N 3.689 112.527 108.800 0.063 0.000 3.187 13 G HA2 -0.093 3.867 3.960 0.000 0.000 0.682 13 G HA3 -0.093 3.867 3.960 0.000 0.000 0.682 13 G C -0.120 174.850 174.900 0.117 0.000 1.266 13 G CA -0.319 44.822 45.100 0.069 0.000 0.902 13 G HN 0.684 nan 8.290 nan 0.000 0.589 14 S N 1.012 116.786 115.700 0.124 0.000 2.537 14 S HA 0.615 5.085 4.470 0.000 0.000 0.246 14 S C 1.194 175.891 174.600 0.162 0.000 1.036 14 S CA 0.625 58.934 58.200 0.182 0.000 1.041 14 S CB 0.683 63.961 63.200 0.130 0.000 0.799 14 S HN 1.806 nan 8.310 nan 0.000 0.456 15 G N 2.113 110.998 108.800 0.142 0.000 2.543 15 G HA2 0.483 4.443 3.960 0.000 0.000 0.290 15 G HA3 0.483 4.443 3.960 0.000 0.000 0.290 15 G C -1.674 173.374 174.900 0.247 0.000 1.310 15 G CA -1.869 43.319 45.100 0.146 0.000 1.025 15 G HN 0.138 nan 8.290 nan 0.000 0.502 16 P HA -0.221 nan 4.420 nan 0.000 0.219 16 P C 1.996 179.249 177.300 -0.079 0.000 1.161 16 P CA 2.357 65.516 63.100 0.099 0.000 0.909 16 P CB -0.013 31.723 31.700 0.060 0.000 0.793 17 G N -1.108 107.670 108.800 -0.036 0.000 2.414 17 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 17 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 17 G C 1.817 176.673 174.900 -0.075 0.000 1.188 17 G CA 0.980 46.031 45.100 -0.081 0.000 0.783 17 G HN 0.395 nan 8.290 nan 0.000 0.537 18 G N 0.446 109.252 108.800 0.011 0.000 2.433 18 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 18 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 18 G C 1.736 176.717 174.900 0.134 0.000 1.186 18 G CA 1.436 46.572 45.100 0.061 0.000 0.779 18 G HN 0.627 nan 8.290 nan 0.000 0.543 19 Y N 0.699 121.068 120.300 0.115 0.000 2.242 19 Y HA 0.052 4.602 4.550 0.000 0.000 0.291 19 Y C 2.432 178.443 175.900 0.185 0.000 1.137 19 Y CA 1.176 59.415 58.100 0.231 0.000 1.181 19 Y CB -0.674 37.810 38.460 0.040 0.000 0.989 19 Y HN 0.007 nan 8.280 nan 0.000 0.527 20 V N 1.215 120.753 119.914 -0.626 0.000 2.515 20 V HA -0.234 3.886 4.120 0.000 0.000 0.250 20 V C 2.801 178.780 176.094 -0.193 0.000 1.058 20 V CA 1.618 63.601 62.300 -0.528 0.000 1.064 20 V CB -1.267 30.218 31.823 -0.564 0.000 0.675 20 V HN 0.668 nan 8.190 nan 0.000 0.461 21 A N 0.006 122.743 122.820 -0.139 0.000 1.873 21 A HA -0.050 4.270 4.320 0.000 0.000 0.215 21 A C 2.453 180.006 177.584 -0.052 0.000 1.186 21 A CA 1.836 53.812 52.037 -0.102 0.000 0.616 21 A CB -0.840 18.092 19.000 -0.114 0.000 0.823 21 A HN 0.531 nan 8.150 nan 0.000 0.442 22 A N 0.097 122.909 122.820 -0.012 0.000 1.883 22 A HA -0.155 4.165 4.320 0.000 0.000 0.217 22 A C 2.150 179.725 177.584 -0.015 0.000 1.186 22 A CA 1.708 53.721 52.037 -0.041 0.000 0.624 22 A CB -0.705 18.234 19.000 -0.101 0.000 0.822 22 A HN 0.506 nan 8.150 nan 0.000 0.444 23 I N -0.919 119.698 120.570 0.079 0.000 2.142 23 I HA -0.263 3.907 4.170 0.000 0.000 0.240 23 I C 2.568 178.710 176.117 0.042 0.000 1.078 23 I CA 1.956 63.315 61.300 0.099 0.000 1.343 23 I CB -0.222 37.880 38.000 0.170 0.000 1.046 23 I HN 0.274 nan 8.210 nan 0.000 0.405 24 K N 1.433 121.842 120.400 0.014 0.000 2.097 24 K HA -0.126 4.194 4.320 0.000 0.000 0.206 24 K C 2.020 178.651 176.600 0.051 0.000 1.049 24 K CA 1.589 57.883 56.287 0.011 0.000 0.933 24 K CB -0.375 32.114 32.500 -0.018 0.000 0.717 24 K HN 0.297 nan 8.250 nan 0.000 0.442 25 A N 0.671 123.534 122.820 0.072 0.000 1.865 25 A HA -0.137 4.183 4.320 0.000 0.000 0.217 25 A C 2.415 180.117 177.584 0.196 0.000 1.191 25 A CA 2.343 54.506 52.037 0.210 0.000 0.623 25 A CB -1.323 17.735 19.000 0.096 0.000 0.826 25 A HN 0.428 nan 8.150 nan 0.000 0.444 26 A N -0.765 122.104 122.820 0.083 0.000 1.883 26 A HA -0.254 4.066 4.320 0.000 0.000 0.217 26 A C 2.067 179.654 177.584 0.006 0.000 1.186 26 A CA 1.753 53.813 52.037 0.038 0.000 0.624 26 A CB -0.706 18.296 19.000 0.004 0.000 0.822 26 A HN 0.675 nan 8.150 nan 0.000 0.444 27 Q N -1.314 118.491 119.800 0.008 0.000 2.439 27 Q HA -0.047 4.293 4.340 0.000 0.000 0.211 27 Q C 0.869 176.841 176.000 -0.047 0.000 0.978 27 Q CA 0.588 56.384 55.803 -0.012 0.000 0.897 27 Q CB -0.112 28.627 28.738 0.001 0.000 0.956 27 Q HN 0.466 nan 8.270 nan 0.000 0.483 28 L N -1.601 119.582 121.223 -0.067 0.000 2.607 28 L HA 0.212 4.552 4.340 0.000 0.000 0.228 28 L C 1.319 177.986 176.870 -0.339 0.000 1.123 28 L CA 1.161 55.893 54.840 -0.179 0.000 0.890 28 L CB 0.405 42.371 42.059 -0.156 0.000 1.103 28 L HN 0.291 nan 8.230 nan 0.000 0.468 29 G N -1.513 107.155 108.800 -0.220 0.000 2.254 29 G HA2 -0.278 3.682 3.960 0.000 0.000 0.225 29 G HA3 -0.278 3.682 3.960 0.000 0.000 0.225 29 G C 0.353 175.157 174.900 -0.161 0.000 1.003 29 G CA -0.343 44.628 45.100 -0.215 0.000 0.622 29 G HN 0.093 nan 8.290 nan 0.000 0.507 30 F N 2.254 122.183 119.950 -0.034 0.000 2.608 30 F HA 0.325 4.852 4.527 -0.000 0.000 0.380 30 F C 1.205 176.980 175.800 -0.042 0.000 1.083 30 F CA 0.360 58.338 58.000 -0.038 0.000 1.266 30 F CB 0.653 39.624 39.000 -0.049 0.000 1.076 30 F HN 0.093 nan 8.300 nan 0.000 0.574 31 K N 3.026 123.527 120.400 0.168 0.000 2.363 31 K HA 0.167 4.487 4.320 0.000 0.000 0.289 31 K C -0.634 175.997 176.600 0.051 0.000 1.063 31 K CA 0.004 56.334 56.287 0.071 0.000 0.967 31 K CB 0.106 32.635 32.500 0.048 0.000 0.987 31 K HN 0.691 nan 8.250 nan 0.000 0.473 32 T N 2.737 117.298 114.554 0.011 0.000 2.855 32 T HA 0.428 4.778 4.350 0.000 0.000 0.281 32 T C -0.846 173.801 174.700 -0.088 0.000 1.007 32 T CA -0.709 61.367 62.100 -0.039 0.000 1.009 32 T CB 1.764 70.601 68.868 -0.052 0.000 0.983 32 T HN 0.275 nan 8.240 nan 0.000 0.455 33 V N 1.406 121.264 119.914 -0.093 0.000 2.789 33 V HA 0.612 4.732 4.120 0.000 0.000 0.311 33 V C -0.647 175.387 176.094 -0.100 0.000 1.073 33 V CA -0.849 61.394 62.300 -0.094 0.000 0.921 33 V CB 2.042 33.837 31.823 -0.047 0.000 1.009 33 V HN 1.105 nan 8.190 nan 0.000 0.426 34 C N 6.440 125.681 119.300 -0.098 0.000 2.397 34 C HA 0.711 5.171 4.460 0.000 0.000 0.325 34 C C -0.527 174.534 174.990 0.118 0.000 1.201 34 C CA -0.439 58.573 59.018 -0.011 0.000 1.377 34 C CB -0.336 27.361 27.740 -0.072 0.000 2.038 34 C HN 0.809 nan 8.230 nan 0.000 0.457 35 I N 4.575 125.208 120.570 0.104 0.000 2.412 35 I HA 0.551 4.721 4.170 0.000 0.000 0.296 35 I C -0.437 175.758 176.117 0.129 0.000 0.987 35 I CA 0.042 61.405 61.300 0.105 0.000 1.180 35 I CB 1.746 39.776 38.000 0.050 0.000 1.340 35 I HN 0.629 nan 8.210 nan 0.000 0.455 36 E N 5.131 125.423 120.200 0.153 0.000 2.278 36 E HA 0.237 4.587 4.350 0.000 0.000 0.272 36 E C -0.172 176.476 176.600 0.081 0.000 0.890 36 E CA -0.776 55.700 56.400 0.127 0.000 0.770 36 E CB 1.519 31.343 29.700 0.207 0.000 1.212 36 E HN 0.572 nan 8.360 nan 0.000 0.415 37 K N 2.542 122.943 120.400 0.002 0.000 2.243 37 K HA 0.174 4.494 4.320 0.000 0.000 0.201 37 K C 0.276 176.895 176.600 0.031 0.000 1.051 37 K CA 0.150 56.439 56.287 0.004 0.000 0.970 37 K CB 0.005 32.447 32.500 -0.097 0.000 0.755 37 K HN 0.208 nan 8.250 nan 0.000 0.465 38 N N 1.988 120.696 118.700 0.013 0.000 2.445 38 N HA 0.020 4.760 4.740 0.000 0.000 0.264 38 N C 0.470 176.003 175.510 0.038 0.000 1.227 38 N CA -0.149 52.908 53.050 0.013 0.000 0.963 38 N CB 0.923 39.398 38.487 -0.020 0.000 1.188 38 N HN 0.187 nan 8.380 nan 0.000 0.491 39 E N -0.629 119.587 120.200 0.026 0.000 2.265 39 E HA -0.081 4.269 4.350 0.000 0.000 0.196 39 E C 0.183 176.798 176.600 0.026 0.000 0.996 39 E CA 0.836 57.257 56.400 0.034 0.000 0.832 39 E CB 0.071 29.782 29.700 0.018 0.000 0.756 39 E HN 0.690 nan 8.360 nan 0.000 0.491 40 T N -1.948 112.601 114.554 -0.009 0.000 2.901 40 T HA 0.520 4.870 4.350 0.000 0.000 0.293 40 T C -0.353 174.289 174.700 -0.096 0.000 1.084 40 T CA -1.073 60.992 62.100 -0.059 0.000 1.008 40 T CB 1.650 70.472 68.868 -0.077 0.000 1.170 40 T HN -0.218 nan 8.240 nan 0.000 0.509 41 L N 0.850 121.958 121.223 -0.192 0.000 2.488 41 L HA 0.754 5.094 4.340 0.000 0.000 0.249 41 L C 1.903 178.628 176.870 -0.243 0.000 1.151 41 L CA 1.127 55.818 54.840 -0.248 0.000 0.806 41 L CB 0.034 41.815 42.059 -0.464 0.000 1.261 41 L HN 1.258 nan 8.230 nan 0.000 0.484 42 G N -1.388 107.265 108.800 -0.244 0.000 2.254 42 G HA2 0.069 4.029 3.960 0.000 0.000 0.225 42 G HA3 0.069 4.029 3.960 0.000 0.000 0.225 42 G C 0.763 175.624 174.900 -0.065 0.000 1.003 42 G CA 0.216 45.189 45.100 -0.211 0.000 0.622 42 G HN 1.477 nan 8.290 nan 0.000 0.507 43 G N -0.817 107.951 108.800 -0.054 0.000 2.575 43 G HA2 -0.086 3.874 3.960 0.000 0.000 0.267 43 G HA3 -0.086 3.874 3.960 0.000 0.000 0.267 43 G C 1.051 175.928 174.900 -0.038 0.000 1.264 43 G CA 1.478 46.559 45.100 -0.031 0.000 0.935 43 G HN 1.362 nan 8.290 nan 0.000 0.568 44 T N -0.346 114.191 114.554 -0.028 0.000 2.622 44 T HA -0.243 4.107 4.350 0.000 0.000 0.266 44 T C 2.474 177.164 174.700 -0.017 0.000 1.047 44 T CA 2.858 64.943 62.100 -0.026 0.000 1.159 44 T CB -0.874 67.985 68.868 -0.016 0.000 0.863 44 T HN 1.102 nan 8.240 nan 0.000 0.422 45 c N 1.036 119.634 118.600 -0.003 0.000 2.376 45 c HA -0.125 4.445 4.570 0.000 0.000 0.275 45 c C 2.619 176.693 174.090 -0.026 0.000 1.200 45 c CA 1.209 57.536 56.329 -0.003 0.000 1.756 45 c CB -1.405 41.118 42.510 0.021 0.000 2.050 45 c HN 0.538 nan 8.230 nan 0.000 0.460 46 L N 1.514 122.714 121.223 -0.038 0.000 2.044 46 L HA -0.001 4.339 4.340 0.000 0.000 0.205 46 L C 2.261 179.092 176.870 -0.066 0.000 1.075 46 L CA 2.123 56.923 54.840 -0.067 0.000 0.747 46 L CB -0.925 41.067 42.059 -0.111 0.000 0.903 46 L HN 0.437 nan 8.230 nan 0.000 0.435 47 N N -0.887 117.777 118.700 -0.060 0.000 2.368 47 N HA 0.002 4.742 4.740 0.000 0.000 0.176 47 N C 0.947 176.435 175.510 -0.037 0.000 1.021 47 N CA 1.560 54.578 53.050 -0.052 0.000 0.888 47 N CB 0.700 39.154 38.487 -0.055 0.000 0.995 47 N HN 0.429 nan 8.380 nan 0.000 0.437 48 V N -4.234 115.662 119.914 -0.030 0.000 3.399 48 V HA 0.580 4.700 4.120 0.000 0.000 0.357 48 V C 0.428 176.518 176.094 -0.007 0.000 1.480 48 V CA -0.192 62.099 62.300 -0.016 0.000 1.263 48 V CB 0.497 32.312 31.823 -0.015 0.000 1.103 48 V HN 0.091 nan 8.190 nan 0.000 0.533 49 G N -0.047 108.745 108.800 -0.014 0.000 3.359 49 G HA2 0.244 4.205 3.960 0.000 0.000 0.187 49 G HA3 0.244 4.205 3.960 0.000 0.000 0.187 49 G C 1.023 175.909 174.900 -0.023 0.000 1.294 49 G CA 0.655 45.752 45.100 -0.006 0.000 0.769 49 G HN 0.274 nan 8.290 nan 0.000 0.733 50 c N 0.953 119.535 118.600 -0.030 0.000 2.336 50 c HA -0.154 4.416 4.570 0.000 0.000 0.272 50 c C 2.774 176.792 174.090 -0.120 0.000 1.160 50 c CA 0.748 57.029 56.329 -0.079 0.000 1.783 50 c CB -1.391 41.075 42.510 -0.073 0.000 2.050 50 c HN 0.423 nan 8.230 nan 0.000 0.443 51 I N 2.204 122.719 120.570 -0.092 0.000 2.076 51 I HA -0.102 4.068 4.170 0.000 0.000 0.237 51 I C -0.001 176.064 176.117 -0.087 0.000 1.059 51 I CA 1.689 62.931 61.300 -0.096 0.000 1.317 51 I CB -2.936 35.018 38.000 -0.077 0.000 1.037 51 I HN 0.187 nan 8.210 nan 0.000 0.398 52 P HA -0.140 nan 4.420 nan 0.000 0.216 52 P C 2.042 179.308 177.300 -0.058 0.000 1.153 52 P CA 2.376 65.446 63.100 -0.050 0.000 0.858 52 P CB -0.193 31.491 31.700 -0.027 0.000 0.789 53 S N -0.916 114.751 115.700 -0.056 0.000 2.383 53 S HA -0.124 4.346 4.470 0.000 0.000 0.227 53 S C 1.927 176.471 174.600 -0.094 0.000 1.026 53 S CA 1.169 59.336 58.200 -0.055 0.000 0.981 53 S CB -0.886 62.302 63.200 -0.020 0.000 0.818 53 S HN -0.033 nan 8.310 nan 0.000 0.472 54 K N 1.964 122.274 120.400 -0.151 0.000 2.097 54 K HA 0.305 4.625 4.320 0.000 0.000 0.205 54 K C 2.346 178.870 176.600 -0.127 0.000 1.050 54 K CA 1.114 57.282 56.287 -0.198 0.000 0.938 54 K CB -0.871 31.426 32.500 -0.338 0.000 0.718 54 K HN 0.494 nan 8.250 nan 0.000 0.442 55 A N 0.573 123.330 122.820 -0.104 0.000 1.877 55 A HA -0.123 4.197 4.320 0.000 0.000 0.216 55 A C 2.048 179.583 177.584 -0.082 0.000 1.186 55 A CA 1.325 53.318 52.037 -0.075 0.000 0.620 55 A CB -0.662 18.302 19.000 -0.059 0.000 0.822 55 A HN 0.209 nan 8.150 nan 0.000 0.443 56 L N -0.725 120.436 121.223 -0.105 0.000 2.201 56 L HA -0.107 4.233 4.340 0.000 0.000 0.212 56 L C 2.445 179.219 176.870 -0.160 0.000 1.105 56 L CA 0.572 55.318 54.840 -0.157 0.000 0.775 56 L CB -0.454 41.478 42.059 -0.212 0.000 0.913 56 L HN 0.368 nan 8.230 nan 0.000 0.440 57 L N -0.332 120.823 121.223 -0.115 0.000 2.056 57 L HA -0.197 4.143 4.340 0.000 0.000 0.207 57 L C 2.341 179.166 176.870 -0.076 0.000 1.078 57 L CA 1.079 55.873 54.840 -0.076 0.000 0.749 57 L CB -0.433 41.611 42.059 -0.024 0.000 0.901 57 L HN 0.320 nan 8.230 nan 0.000 0.433 58 N N 0.239 118.878 118.700 -0.101 0.000 2.080 58 N HA -0.174 4.566 4.740 0.000 0.000 0.189 58 N C 1.602 176.996 175.510 -0.194 0.000 1.036 58 N CA 1.480 54.423 53.050 -0.177 0.000 0.846 58 N CB -0.070 38.355 38.487 -0.104 0.000 1.015 58 N HN 0.171 nan 8.380 nan 0.000 0.423 59 N N -0.174 118.493 118.700 -0.054 0.000 2.120 59 N HA -0.119 4.621 4.740 0.000 0.000 0.188 59 N C 1.762 177.282 175.510 0.018 0.000 1.024 59 N CA 1.477 54.548 53.050 0.035 0.000 0.852 59 N CB -0.725 37.764 38.487 0.004 0.000 1.003 59 N HN 0.449 nan 8.380 nan 0.000 0.424 60 S N -0.065 115.598 115.700 -0.061 0.000 2.402 60 S HA -0.144 4.326 4.470 0.000 0.000 0.229 60 S C 1.912 176.550 174.600 0.062 0.000 1.021 60 S CA 1.016 59.191 58.200 -0.041 0.000 0.974 60 S CB -0.518 62.577 63.200 -0.175 0.000 0.800 60 S HN 0.461 nan 8.310 nan 0.000 0.484 61 H N 0.808 119.820 119.070 -0.097 0.000 2.321 61 H HA -0.047 4.509 4.556 0.000 0.000 0.300 61 H C 1.672 176.964 175.328 -0.060 0.000 1.087 61 H CA 1.961 57.940 56.048 -0.116 0.000 1.319 61 H CB -0.738 28.865 29.762 -0.265 0.000 1.379 61 H HN 0.422 nan 8.280 nan 0.000 0.501 62 Y N -0.679 119.492 120.300 -0.215 0.000 2.181 62 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 62 Y C 2.535 178.260 175.900 -0.293 0.000 1.146 62 Y CA 1.302 59.216 58.100 -0.310 0.000 1.164 62 Y CB -1.363 37.024 38.460 -0.122 0.000 0.982 62 Y HN 0.365 nan 8.280 nan 0.000 0.515 63 Y N -0.008 120.257 120.300 -0.057 0.000 2.165 63 Y HA -0.315 4.235 4.550 0.000 0.000 0.286 63 Y C 2.797 178.634 175.900 -0.106 0.000 1.155 63 Y CA 2.249 60.296 58.100 -0.088 0.000 1.164 63 Y CB -0.733 37.685 38.460 -0.071 0.000 0.978 63 Y HN 0.236 nan 8.280 nan 0.000 0.513 64 H N -0.228 118.753 119.070 -0.149 0.000 2.353 64 H HA -0.168 4.388 4.556 0.000 0.000 0.300 64 H C 2.043 177.182 175.328 -0.315 0.000 1.090 64 H CA 2.449 58.379 56.048 -0.196 0.000 1.327 64 H CB -0.291 29.436 29.762 -0.059 0.000 1.383 64 H HN 0.405 nan 8.280 nan 0.000 0.508 65 M N -0.676 118.603 119.600 -0.535 0.000 2.117 65 M HA -0.115 4.365 4.480 0.000 0.000 0.262 65 M C 2.593 178.346 176.300 -0.911 0.000 1.065 65 M CA 1.584 56.478 55.300 -0.677 0.000 1.114 65 M CB -0.155 32.038 32.600 -0.679 0.000 1.361 65 M HN 0.462 nan 8.290 nan 0.000 0.408 66 A N -0.997 121.201 122.820 -1.036 0.000 1.872 66 A HA -0.182 4.139 4.320 0.000 0.000 0.214 66 A C 2.032 179.332 177.584 -0.473 0.000 1.187 66 A CA 1.362 52.892 52.037 -0.846 0.000 0.614 66 A CB -1.048 17.576 19.000 -0.628 0.000 0.826 66 A HN 0.526 nan 8.150 nan 0.000 0.442 67 H N 0.022 118.698 119.070 -0.657 0.000 2.428 67 H HA 0.017 4.573 4.556 0.000 0.000 0.296 67 H C 1.406 176.507 175.328 -0.379 0.000 1.062 67 H CA 1.233 56.946 56.048 -0.558 0.000 1.350 67 H CB -0.155 29.064 29.762 -0.905 0.000 1.403 67 H HN 0.442 nan 8.280 nan 0.000 0.533 68 G N -0.724 107.847 108.800 -0.383 0.000 2.582 68 G HA2 0.033 3.993 3.960 0.000 0.000 0.232 68 G HA3 0.033 3.993 3.960 0.000 0.000 0.232 68 G C 1.078 175.834 174.900 -0.240 0.000 1.458 68 G CA 0.449 45.353 45.100 -0.326 0.000 1.062 68 G HN 0.379 nan 8.290 nan 0.000 0.566 69 T N -2.664 111.791 114.554 -0.165 0.000 3.100 69 T HA 0.033 4.383 4.350 0.000 0.000 0.253 69 T C 1.439 176.117 174.700 -0.038 0.000 1.118 69 T CA 1.221 63.273 62.100 -0.081 0.000 1.058 69 T CB 0.128 68.974 68.868 -0.036 0.000 0.953 69 T HN 0.441 nan 8.240 nan 0.000 0.515 70 D N 0.713 121.076 120.400 -0.062 0.000 2.078 70 D HA -0.133 4.507 4.640 0.000 0.000 0.193 70 D C 1.464 177.877 176.300 0.188 0.000 0.990 70 D CA 1.082 55.109 54.000 0.045 0.000 0.827 70 D CB -0.158 40.655 40.800 0.022 0.000 0.975 70 D HN 0.324 nan 8.370 nan 0.000 0.451 71 F N 1.499 121.382 119.950 -0.111 0.000 2.216 71 F HA -0.036 4.491 4.527 0.000 0.000 0.300 71 F C 2.584 178.338 175.800 -0.076 0.000 1.085 71 F CA 0.746 58.691 58.000 -0.091 0.000 1.326 71 F CB -1.122 37.812 39.000 -0.108 0.000 1.027 71 F HN 0.003 nan 8.300 nan 0.000 0.497 72 A N -0.301 122.582 122.820 0.106 0.000 1.933 72 A HA -0.182 4.138 4.320 0.000 0.000 0.218 72 A C 2.361 179.952 177.584 0.011 0.000 1.175 72 A CA 1.911 53.965 52.037 0.028 0.000 0.628 72 A CB -1.131 17.867 19.000 -0.004 0.000 0.814 72 A HN 0.390 nan 8.150 nan 0.000 0.444 73 S N -0.403 115.311 115.700 0.023 0.000 2.474 73 S HA -0.090 4.380 4.470 0.000 0.000 0.235 73 S C 1.543 176.143 174.600 -0.001 0.000 0.997 73 S CA 1.061 59.270 58.200 0.014 0.000 0.949 73 S CB -0.311 62.906 63.200 0.027 0.000 0.766 73 S HN 0.613 nan 8.310 nan 0.000 0.517 74 R N 0.322 120.811 120.500 -0.019 0.000 2.393 74 R HA 0.358 4.698 4.340 0.000 0.000 0.244 74 R C 1.348 177.596 176.300 -0.088 0.000 0.920 74 R CA 0.347 56.408 56.100 -0.065 0.000 1.076 74 R CB 0.171 30.396 30.300 -0.125 0.000 1.119 74 R HN 0.510 nan 8.270 nan 0.000 0.524 75 G N 1.486 110.249 108.800 -0.062 0.000 2.143 75 G HA2 -0.267 3.693 3.960 0.000 0.000 0.249 75 G HA3 -0.267 3.693 3.960 0.000 0.000 0.249 75 G C 0.119 174.970 174.900 -0.082 0.000 0.981 75 G CA -0.264 44.798 45.100 -0.062 0.000 0.665 75 G HN 0.274 nan 8.290 nan 0.000 0.528 76 I N 1.558 122.062 120.570 -0.108 0.000 2.287 76 I HA 0.329 4.499 4.170 0.000 0.000 0.290 76 I C 0.227 176.334 176.117 -0.017 0.000 1.069 76 I CA -0.258 60.972 61.300 -0.117 0.000 1.237 76 I CB 0.785 38.601 38.000 -0.307 0.000 1.418 76 I HN 0.110 nan 8.210 nan 0.000 0.481 77 E N 7.265 127.454 120.200 -0.019 0.000 2.175 77 E HA 0.626 4.976 4.350 0.000 0.000 0.278 77 E C -0.777 175.822 176.600 -0.001 0.000 0.969 77 E CA -0.573 55.823 56.400 -0.006 0.000 0.796 77 E CB 1.974 31.663 29.700 -0.017 0.000 1.104 77 E HN 0.473 nan 8.360 nan 0.000 0.395 78 M N 0.939 120.538 119.600 -0.001 0.000 2.644 78 M HA 0.238 4.718 4.480 0.000 0.000 0.304 78 M C 1.103 177.394 176.300 -0.015 0.000 1.215 78 M CA -0.666 54.632 55.300 -0.002 0.000 0.871 78 M CB 2.009 34.615 32.600 0.010 0.000 1.740 78 M HN 0.574 nan 8.290 nan 0.000 0.464 79 S N 0.323 116.018 115.700 -0.009 0.000 2.404 79 S HA -0.090 4.380 4.470 0.000 0.000 0.216 79 S C 0.428 175.018 174.600 -0.016 0.000 1.039 79 S CA 0.995 59.189 58.200 -0.009 0.000 1.062 79 S CB -0.156 63.043 63.200 -0.001 0.000 1.046 79 S HN 0.815 nan 8.310 nan 0.000 0.415 80 E N -0.091 120.104 120.200 -0.007 0.000 2.291 80 E HA 0.445 4.795 4.350 0.000 0.000 0.276 80 E C -1.992 174.618 176.600 0.016 0.000 0.896 80 E CA -0.634 55.762 56.400 -0.006 0.000 0.774 80 E CB 2.233 31.941 29.700 0.013 0.000 1.227 80 E HN 0.233 nan 8.360 nan 0.000 0.413 81 V N 5.240 125.159 119.914 0.010 0.000 2.408 81 V HA 0.376 4.496 4.120 0.000 0.000 0.267 81 V C 0.308 176.522 176.094 0.200 0.000 1.047 81 V CA -0.121 62.215 62.300 0.060 0.000 0.937 81 V CB 0.670 32.468 31.823 -0.042 0.000 0.999 81 V HN 0.556 nan 8.190 nan 0.000 0.472 82 R N 3.678 124.288 120.500 0.184 0.000 2.664 82 R HA 0.642 4.982 4.340 0.000 0.000 0.286 82 R C -1.102 175.333 176.300 0.225 0.000 0.967 82 R CA -1.047 55.172 56.100 0.198 0.000 0.933 82 R CB 2.241 32.605 30.300 0.107 0.000 1.146 82 R HN 0.521 nan 8.270 nan 0.000 0.468 83 L N 2.409 123.719 121.223 0.146 0.000 2.282 83 L HA 0.340 4.680 4.340 0.000 0.000 0.288 83 L C -0.691 176.161 176.870 -0.029 0.000 1.033 83 L CA -0.232 54.593 54.840 -0.025 0.000 0.807 83 L CB 1.118 42.986 42.059 -0.319 0.000 1.209 83 L HN 0.466 nan 8.230 nan 0.000 0.423 84 N N 4.673 123.358 118.700 -0.024 0.000 2.699 84 N HA 0.068 4.809 4.740 0.000 0.000 0.232 84 N C 0.655 176.144 175.510 -0.034 0.000 1.027 84 N CA -0.378 52.663 53.050 -0.015 0.000 0.920 84 N CB 0.626 39.115 38.487 0.002 0.000 1.148 84 N HN 0.781 nan 8.380 nan 0.000 0.509 85 L N 3.274 124.474 121.223 -0.039 0.000 2.042 85 L HA -0.092 4.248 4.340 0.000 0.000 0.210 85 L C 1.639 178.505 176.870 -0.006 0.000 1.076 85 L CA 1.951 56.774 54.840 -0.029 0.000 0.749 85 L CB -0.643 41.428 42.059 0.021 0.000 0.893 85 L HN 0.548 nan 8.230 nan 0.000 0.432 86 D N -0.944 119.457 120.400 0.002 0.000 2.149 86 D HA -0.265 4.375 4.640 0.000 0.000 0.198 86 D C 2.182 178.480 176.300 -0.002 0.000 0.990 86 D CA 1.298 55.301 54.000 0.005 0.000 0.839 86 D CB 0.019 40.822 40.800 0.004 0.000 0.948 86 D HN 0.207 nan 8.370 nan 0.000 0.460 87 K N -0.122 120.275 120.400 -0.006 0.000 2.097 87 K HA -0.039 4.281 4.320 0.000 0.000 0.205 87 K C 2.089 178.683 176.600 -0.011 0.000 1.050 87 K CA 0.980 57.264 56.287 -0.005 0.000 0.938 87 K CB -0.384 32.115 32.500 -0.002 0.000 0.718 87 K HN 0.235 nan 8.250 nan 0.000 0.442 88 M N -0.544 119.042 119.600 -0.023 0.000 2.159 88 M HA -0.148 4.332 4.480 0.000 0.000 0.263 88 M C 1.505 177.784 176.300 -0.034 0.000 1.063 88 M CA 1.404 56.682 55.300 -0.037 0.000 1.110 88 M CB 0.015 32.567 32.600 -0.080 0.000 1.374 88 M HN 0.151 nan 8.290 nan 0.000 0.411 89 M N -0.050 119.538 119.600 -0.020 0.000 2.175 89 M HA -0.177 4.303 4.480 0.000 0.000 0.264 89 M C 1.993 178.288 176.300 -0.008 0.000 1.063 89 M CA 1.608 56.904 55.300 -0.007 0.000 1.119 89 M CB -1.383 31.228 32.600 0.019 0.000 1.377 89 M HN 0.457 nan 8.290 nan 0.000 0.415 90 E N -0.055 120.140 120.200 -0.008 0.000 2.077 90 E HA -0.245 4.105 4.350 0.000 0.000 0.193 90 E C 2.053 178.646 176.600 -0.011 0.000 0.989 90 E CA 1.121 57.516 56.400 -0.008 0.000 0.800 90 E CB -0.028 29.669 29.700 -0.006 0.000 0.746 90 E HN 0.387 nan 8.360 nan 0.000 0.452 91 Q N 1.414 121.207 119.800 -0.011 0.000 2.096 91 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 91 Q C 2.129 178.119 176.000 -0.016 0.000 0.982 91 Q CA 1.855 57.652 55.803 -0.009 0.000 0.850 91 Q CB -0.257 28.481 28.738 -0.000 0.000 0.901 91 Q HN 0.231 nan 8.270 nan 0.000 0.422 92 K N -0.313 120.074 120.400 -0.022 0.000 2.032 92 K HA -0.106 4.214 4.320 0.000 0.000 0.209 92 K C 2.138 178.721 176.600 -0.028 0.000 1.048 92 K CA 1.701 57.970 56.287 -0.029 0.000 0.927 92 K CB -0.063 32.417 32.500 -0.033 0.000 0.712 92 K HN 0.081 nan 8.250 nan 0.000 0.441 93 S N 0.296 115.983 115.700 -0.022 0.000 2.382 93 S HA -0.099 4.371 4.470 0.000 0.000 0.228 93 S C 1.866 176.449 174.600 -0.028 0.000 1.027 93 S CA 1.756 59.942 58.200 -0.023 0.000 0.991 93 S CB -0.316 62.874 63.200 -0.016 0.000 0.823 93 S HN 0.472 nan 8.310 nan 0.000 0.469 94 T N 2.334 116.873 114.554 -0.025 0.000 2.737 94 T HA -0.024 4.326 4.350 0.000 0.000 0.265 94 T C 2.173 176.852 174.700 -0.035 0.000 1.038 94 T CA 1.204 63.288 62.100 -0.027 0.000 1.144 94 T CB -0.499 68.356 68.868 -0.021 0.000 0.866 94 T HN 0.459 nan 8.240 nan 0.000 0.434 95 A N 1.047 123.846 122.820 -0.035 0.000 1.877 95 A HA -0.070 4.250 4.320 0.000 0.000 0.216 95 A C 2.597 180.148 177.584 -0.055 0.000 1.186 95 A CA 1.482 53.493 52.037 -0.042 0.000 0.620 95 A CB -1.123 17.853 19.000 -0.040 0.000 0.822 95 A HN 0.340 nan 8.150 nan 0.000 0.443 96 V N 0.298 120.180 119.914 -0.054 0.000 2.287 96 V HA -0.296 3.824 4.120 0.000 0.000 0.248 96 V C 2.574 178.624 176.094 -0.072 0.000 1.053 96 V CA 2.470 64.731 62.300 -0.065 0.000 1.027 96 V CB -0.656 31.134 31.823 -0.055 0.000 0.646 96 V HN 0.695 nan 8.190 nan 0.000 0.447 97 K N 0.040 120.404 120.400 -0.060 0.000 2.063 97 K HA -0.191 4.129 4.320 0.000 0.000 0.208 97 K C 2.169 178.727 176.600 -0.071 0.000 1.048 97 K CA 1.588 57.838 56.287 -0.061 0.000 0.928 97 K CB -0.304 32.169 32.500 -0.045 0.000 0.713 97 K HN 0.441 nan 8.250 nan 0.000 0.442 98 A N 1.095 123.875 122.820 -0.067 0.000 1.898 98 A HA -0.102 4.218 4.320 0.000 0.000 0.216 98 A C 2.079 179.606 177.584 -0.095 0.000 1.181 98 A CA 1.183 53.175 52.037 -0.074 0.000 0.620 98 A CB -0.496 18.466 19.000 -0.063 0.000 0.819 98 A HN 0.310 nan 8.150 nan 0.000 0.442 99 L N -0.044 121.118 121.223 -0.102 0.000 2.156 99 L HA -0.132 4.208 4.340 0.000 0.000 0.208 99 L C 3.009 179.768 176.870 -0.184 0.000 1.095 99 L CA 1.652 56.413 54.840 -0.132 0.000 0.770 99 L CB -0.722 41.265 42.059 -0.121 0.000 0.914 99 L HN 0.671 nan 8.230 nan 0.000 0.439 100 T N -3.212 111.242 114.554 -0.167 0.000 2.737 100 T HA -0.102 4.248 4.350 0.000 0.000 0.265 100 T C 1.993 176.574 174.700 -0.199 0.000 1.038 100 T CA 1.022 63.000 62.100 -0.202 0.000 1.144 100 T CB -0.982 67.796 68.868 -0.150 0.000 0.866 100 T HN 0.348 nan 8.240 nan 0.000 0.434 101 G N 1.170 109.887 108.800 -0.137 0.000 2.442 101 G HA2 0.050 4.010 3.960 0.000 0.000 0.219 101 G HA3 0.050 4.010 3.960 0.000 0.000 0.219 101 G C 1.715 176.551 174.900 -0.108 0.000 1.141 101 G CA 0.721 45.757 45.100 -0.105 0.000 0.763 101 G HN 0.687 nan 8.290 nan 0.000 0.554 102 G N 1.041 109.760 108.800 -0.135 0.000 2.418 102 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 102 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 102 G C 1.745 176.559 174.900 -0.144 0.000 1.158 102 G CA 0.809 45.838 45.100 -0.119 0.000 0.771 102 G HN 0.461 nan 8.290 nan 0.000 0.545 103 I N 1.259 121.640 120.570 -0.314 0.000 2.315 103 I HA -0.096 4.075 4.170 0.000 0.000 0.248 103 I C 3.251 179.046 176.117 -0.537 0.000 1.117 103 I CA 0.742 61.728 61.300 -0.523 0.000 1.404 103 I CB -0.188 37.297 38.000 -0.859 0.000 1.071 103 I HN 0.233 nan 8.210 nan 0.000 0.419 104 A N 0.358 122.953 122.820 -0.374 0.000 1.877 104 A HA -0.291 4.029 4.320 0.000 0.000 0.216 104 A C 2.377 179.936 177.584 -0.040 0.000 1.186 104 A CA 1.828 53.723 52.037 -0.236 0.000 0.620 104 A CB -1.040 17.880 19.000 -0.134 0.000 0.822 104 A HN 0.505 nan 8.150 nan 0.000 0.443 105 H N -0.028 118.987 119.070 -0.091 0.000 2.389 105 H HA 0.010 4.566 4.556 0.000 0.000 0.299 105 H C 1.837 177.178 175.328 0.021 0.000 1.081 105 H CA 1.699 57.734 56.048 -0.021 0.000 1.345 105 H CB -0.153 29.588 29.762 -0.035 0.000 1.393 105 H HN 0.422 nan 8.280 nan 0.000 0.520 106 L N -0.247 121.040 121.223 0.107 0.000 2.201 106 L HA -0.152 4.188 4.340 0.000 0.000 0.212 106 L C 2.429 179.431 176.870 0.219 0.000 1.105 106 L CA 0.336 55.256 54.840 0.133 0.000 0.775 106 L CB -0.413 41.724 42.059 0.129 0.000 0.913 106 L HN 0.156 nan 8.230 nan 0.000 0.440 107 F N 0.864 120.806 119.950 -0.012 0.000 2.098 107 F HA -0.134 4.393 4.527 0.000 0.000 0.294 107 F C 2.483 178.263 175.800 -0.034 0.000 1.107 107 F CA 1.079 59.075 58.000 -0.008 0.000 1.234 107 F CB -0.682 38.307 39.000 -0.017 0.000 1.002 107 F HN -0.042 nan 8.300 nan 0.000 0.472 108 K N -0.054 120.426 120.400 0.133 0.000 2.103 108 K HA -0.258 4.062 4.320 0.000 0.000 0.207 108 K C 2.036 178.607 176.600 -0.048 0.000 1.048 108 K CA 1.632 57.925 56.287 0.010 0.000 0.930 108 K CB -0.419 32.049 32.500 -0.053 0.000 0.716 108 K HN 0.334 nan 8.250 nan 0.000 0.444 109 Q N 0.893 120.631 119.800 -0.103 0.000 2.124 109 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 109 Q C 1.085 177.078 176.000 -0.011 0.000 0.977 109 Q CA 1.238 56.988 55.803 -0.088 0.000 0.850 109 Q CB 0.177 28.856 28.738 -0.098 0.000 0.901 109 Q HN 0.299 nan 8.270 nan 0.000 0.429 110 N N 0.218 118.935 118.700 0.028 0.000 2.230 110 N HA 0.048 4.788 4.740 0.000 0.000 0.202 110 N C -0.750 174.762 175.510 0.004 0.000 1.119 110 N CA 0.181 53.249 53.050 0.029 0.000 0.851 110 N CB 0.597 39.122 38.487 0.063 0.000 0.990 110 N HN 0.180 nan 8.380 nan 0.000 0.497 111 K N 0.122 120.521 120.400 -0.003 0.000 3.096 111 K HA -0.117 4.203 4.320 0.000 0.000 0.266 111 K C -0.737 175.833 176.600 -0.050 0.000 1.043 111 K CA 0.148 56.425 56.287 -0.017 0.000 0.758 111 K CB -1.841 30.650 32.500 -0.015 0.000 1.260 111 K HN -0.042 nan 8.250 nan 0.000 0.481 112 V N 1.667 121.524 119.914 -0.096 0.000 2.461 112 V HA 0.133 4.253 4.120 0.000 0.000 0.275 112 V C 0.720 176.680 176.094 -0.223 0.000 1.047 112 V CA -0.719 61.426 62.300 -0.258 0.000 0.955 112 V CB 1.661 33.111 31.823 -0.621 0.000 0.988 112 V HN 0.118 nan 8.190 nan 0.000 0.471 113 V N 5.246 125.063 119.914 -0.163 0.000 2.427 113 V HA 0.150 4.270 4.120 0.000 0.000 0.268 113 V C 0.116 176.193 176.094 -0.028 0.000 1.046 113 V CA -0.479 61.782 62.300 -0.064 0.000 0.970 113 V CB 0.367 32.164 31.823 -0.043 0.000 1.001 113 V HN 0.896 nan 8.190 nan 0.000 0.476 114 H N 5.027 124.078 119.070 -0.032 0.000 2.652 114 H HA 0.540 5.096 4.556 0.000 0.000 0.298 114 H C -0.789 174.568 175.328 0.048 0.000 1.076 114 H CA -0.462 55.621 56.048 0.059 0.000 1.360 114 H CB 1.236 31.126 29.762 0.215 0.000 1.421 114 H HN 0.395 nan 8.280 nan 0.000 0.464 115 V N 5.977 125.805 119.914 -0.143 0.000 2.417 115 V HA 0.152 4.272 4.120 0.000 0.000 0.291 115 V C 0.079 175.995 176.094 -0.296 0.000 1.024 115 V CA -1.010 61.158 62.300 -0.220 0.000 0.861 115 V CB 1.187 32.971 31.823 -0.065 0.000 0.985 115 V HN 0.903 nan 8.190 nan 0.000 0.436 116 N N 3.571 122.079 118.700 -0.319 0.000 2.426 116 N HA 0.686 5.426 4.740 0.000 0.000 0.257 116 N C -0.159 175.330 175.510 -0.035 0.000 1.002 116 N CA 0.638 53.589 53.050 -0.165 0.000 0.942 116 N CB 1.189 39.591 38.487 -0.141 0.000 1.112 116 N HN 1.035 nan 8.380 nan 0.000 0.499 117 G N 1.603 110.417 108.800 0.023 0.000 2.337 117 G HA2 0.059 4.019 3.960 0.000 0.000 0.298 117 G HA3 0.059 4.019 3.960 0.000 0.000 0.298 117 G C -2.237 172.728 174.900 0.108 0.000 1.335 117 G CA -0.992 44.152 45.100 0.073 0.000 0.875 117 G HN 0.390 nan 8.290 nan 0.000 0.579 118 Y N 1.555 121.882 120.300 0.046 0.000 2.404 118 Y HA 0.522 5.072 4.550 0.000 0.000 0.344 118 Y C 1.004 176.936 175.900 0.053 0.000 0.995 118 Y CA 0.520 58.659 58.100 0.064 0.000 1.201 118 Y CB 0.949 39.449 38.460 0.065 0.000 1.151 118 Y HN 0.767 nan 8.280 nan 0.000 0.517 119 G N 5.611 114.494 108.800 0.137 0.000 2.415 119 G HA2 0.379 4.339 3.960 0.000 0.000 0.269 119 G HA3 0.379 4.339 3.960 0.000 0.000 0.269 119 G C -1.193 173.838 174.900 0.218 0.000 1.209 119 G CA -0.632 44.552 45.100 0.139 0.000 0.835 119 G HN 0.579 nan 8.290 nan 0.000 0.534 120 K N 2.800 123.289 120.400 0.148 0.000 2.619 120 K HA 0.192 4.512 4.320 0.000 0.000 0.251 120 K C -0.476 176.165 176.600 0.068 0.000 0.987 120 K CA -0.708 55.652 56.287 0.121 0.000 0.844 120 K CB 1.357 33.922 32.500 0.109 0.000 1.237 120 K HN 0.459 nan 8.250 nan 0.000 0.447 121 I N 4.269 124.871 120.570 0.053 0.000 2.664 121 I HA -0.045 4.125 4.170 0.000 0.000 0.284 121 I C 1.162 177.294 176.117 0.026 0.000 1.154 121 I CA 0.543 61.864 61.300 0.035 0.000 1.402 121 I CB 0.617 38.634 38.000 0.029 0.000 1.395 121 I HN 0.650 nan 8.210 nan 0.000 0.545 122 T N 1.393 115.960 114.554 0.022 0.000 3.228 122 T HA 0.538 4.888 4.350 0.000 0.000 0.278 122 T C 0.267 174.973 174.700 0.010 0.000 1.014 122 T CA -0.370 61.739 62.100 0.015 0.000 0.904 122 T CB 0.343 69.220 68.868 0.016 0.000 1.110 122 T HN 0.890 nan 8.240 nan 0.000 0.541 123 G N 0.509 109.315 108.800 0.010 0.000 2.384 123 G HA2 0.269 4.229 3.960 0.000 0.000 0.300 123 G HA3 0.269 4.229 3.960 0.000 0.000 0.300 123 G C -0.084 174.821 174.900 0.008 0.000 1.582 123 G CA -0.951 44.153 45.100 0.007 0.000 0.875 123 G HN -0.014 nan 8.290 nan 0.000 0.628 124 K N -0.502 119.901 120.400 0.004 0.000 2.362 124 K HA -0.108 4.212 4.320 0.000 0.000 0.202 124 K C 0.786 177.392 176.600 0.009 0.000 1.045 124 K CA 1.636 57.925 56.287 0.004 0.000 0.936 124 K CB -0.013 32.486 32.500 -0.001 0.000 0.747 124 K HN 0.411 nan 8.250 nan 0.000 0.467 125 N N 0.065 118.770 118.700 0.010 0.000 2.466 125 N HA 0.054 4.794 4.740 0.000 0.000 0.272 125 N C -1.270 174.247 175.510 0.011 0.000 1.455 125 N CA -0.173 52.884 53.050 0.012 0.000 0.875 125 N CB 1.095 39.589 38.487 0.011 0.000 1.372 125 N HN 0.032 nan 8.380 nan 0.000 0.492 126 Q N 0.650 120.457 119.800 0.012 0.000 2.377 126 Q HA 0.599 4.939 4.340 0.000 0.000 0.279 126 Q C -1.967 174.043 176.000 0.017 0.000 1.049 126 Q CA -0.705 55.106 55.803 0.013 0.000 0.825 126 Q CB 2.267 31.012 28.738 0.011 0.000 1.401 126 Q HN -0.024 nan 8.270 nan 0.000 0.404 127 V N 1.764 121.690 119.914 0.019 0.000 2.760 127 V HA 0.516 4.636 4.120 0.000 0.000 0.309 127 V C -0.873 175.238 176.094 0.030 0.000 1.077 127 V CA -0.640 61.677 62.300 0.028 0.000 0.910 127 V CB 2.242 34.082 31.823 0.028 0.000 1.008 127 V HN 0.852 nan 8.190 nan 0.000 0.424 128 T N 3.834 118.412 114.554 0.040 0.000 2.809 128 T HA 0.657 5.007 4.350 0.000 0.000 0.296 128 T C 0.071 174.808 174.700 0.060 0.000 1.015 128 T CA -0.214 61.910 62.100 0.040 0.000 0.954 128 T CB 1.373 70.260 68.868 0.032 0.000 0.950 128 T HN 0.958 nan 8.240 nan 0.000 0.450 129 A N 3.359 126.210 122.820 0.052 0.000 2.320 129 A HA 0.646 4.966 4.320 0.000 0.000 0.287 129 A C 0.362 177.985 177.584 0.066 0.000 1.181 129 A CA -0.509 51.569 52.037 0.069 0.000 0.831 129 A CB 0.225 19.249 19.000 0.041 0.000 1.102 129 A HN 0.681 nan 8.150 nan 0.000 0.513 130 T N 3.761 118.374 114.554 0.099 0.000 2.815 130 T HA 0.332 4.682 4.350 0.000 0.000 0.289 130 T C -0.042 174.710 174.700 0.087 0.000 1.000 130 T CA -0.571 61.574 62.100 0.074 0.000 0.958 130 T CB 0.946 69.849 68.868 0.058 0.000 0.944 130 T HN 0.682 nan 8.240 nan 0.000 0.442 131 K N 1.215 121.648 120.400 0.054 0.000 2.149 131 K HA 0.499 4.819 4.320 0.000 0.000 0.245 131 K C 1.547 178.178 176.600 0.051 0.000 1.024 131 K CA -0.506 55.812 56.287 0.051 0.000 0.899 131 K CB 0.507 33.023 32.500 0.027 0.000 1.038 131 K HN 0.586 nan 8.250 nan 0.000 0.496 132 A N 1.665 124.516 122.820 0.052 0.000 1.902 132 A HA -0.201 4.119 4.320 0.000 0.000 0.217 132 A C 1.514 179.115 177.584 0.028 0.000 1.181 132 A CA 2.226 54.290 52.037 0.045 0.000 0.623 132 A CB -0.757 18.270 19.000 0.045 0.000 0.818 132 A HN 0.921 nan 8.150 nan 0.000 0.443 133 D N -2.672 117.741 120.400 0.023 0.000 2.378 133 D HA 0.276 4.916 4.640 0.000 0.000 0.222 133 D C 1.199 177.506 176.300 0.012 0.000 0.980 133 D CA 1.273 55.282 54.000 0.015 0.000 0.907 133 D CB -0.195 40.613 40.800 0.013 0.000 0.899 133 D HN 0.735 nan 8.370 nan 0.000 0.527 134 G N -0.738 108.071 108.800 0.015 0.000 2.284 134 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 134 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 134 G C 0.788 175.695 174.900 0.012 0.000 1.009 134 G CA -0.108 44.998 45.100 0.011 0.000 0.625 134 G HN 0.808 nan 8.290 nan 0.000 0.501 135 G N 0.399 109.206 108.800 0.012 0.000 2.238 135 G HA2 0.434 4.394 3.960 0.000 0.000 0.234 135 G HA3 0.434 4.394 3.960 0.000 0.000 0.234 135 G C 0.175 175.082 174.900 0.013 0.000 1.181 135 G CA 1.632 46.738 45.100 0.010 0.000 0.871 135 G HN 1.094 nan 8.290 nan 0.000 0.490 136 T N 0.147 114.707 114.554 0.010 0.000 2.924 136 T HA 0.605 4.955 4.350 0.000 0.000 0.291 136 T C -0.794 173.911 174.700 0.008 0.000 1.045 136 T CA -0.572 61.536 62.100 0.013 0.000 1.015 136 T CB 1.822 70.697 68.868 0.011 0.000 1.103 136 T HN 0.698 nan 8.240 nan 0.000 0.496 137 Q N 2.666 122.473 119.800 0.011 0.000 2.296 137 Q HA 0.550 4.890 4.340 0.000 0.000 0.254 137 Q C -1.967 174.039 176.000 0.009 0.000 0.936 137 Q CA -0.519 55.288 55.803 0.005 0.000 0.834 137 Q CB 1.539 30.275 28.738 -0.002 0.000 1.340 137 Q HN 0.525 nan 8.270 nan 0.000 0.428 138 V N 4.929 124.847 119.914 0.007 0.000 2.539 138 V HA 0.620 4.740 4.120 0.000 0.000 0.292 138 V C -0.397 175.701 176.094 0.006 0.000 1.045 138 V CA -0.541 61.765 62.300 0.009 0.000 0.945 138 V CB 1.442 33.270 31.823 0.008 0.000 0.993 138 V HN 0.739 nan 8.190 nan 0.000 0.464 139 I N 3.442 124.017 120.570 0.008 0.000 2.468 139 I HA 0.385 4.555 4.170 0.000 0.000 0.285 139 I C -0.570 175.551 176.117 0.006 0.000 1.039 139 I CA -0.250 61.053 61.300 0.005 0.000 1.074 139 I CB 1.789 39.790 38.000 0.003 0.000 1.228 139 I HN 0.474 nan 8.210 nan 0.000 0.436 140 D N 5.729 126.132 120.400 0.006 0.000 2.232 140 D HA 0.551 5.191 4.640 0.000 0.000 0.242 140 D C -0.426 175.877 176.300 0.006 0.000 1.093 140 D CA -0.030 53.974 54.000 0.007 0.000 0.845 140 D CB 1.836 42.641 40.800 0.008 0.000 1.124 140 D HN 0.453 nan 8.370 nan 0.000 0.467 141 T N 0.576 115.133 114.554 0.006 0.000 2.906 141 T HA 0.282 4.632 4.350 0.000 0.000 0.295 141 T C 1.157 175.860 174.700 0.005 0.000 1.061 141 T CA -0.872 61.229 62.100 0.002 0.000 1.000 141 T CB 2.786 71.650 68.868 -0.007 0.000 1.103 141 T HN 0.080 nan 8.240 nan 0.000 0.486 142 K N 0.683 121.085 120.400 0.002 0.000 2.031 142 K HA 0.082 4.402 4.320 0.000 0.000 0.205 142 K C 0.480 177.088 176.600 0.012 0.000 1.049 142 K CA 0.842 57.136 56.287 0.011 0.000 0.939 142 K CB 0.101 32.610 32.500 0.016 0.000 0.717 142 K HN 0.454 nan 8.250 nan 0.000 0.438 143 N N 0.288 118.979 118.700 -0.016 0.000 2.335 143 N HA 0.378 5.118 4.740 0.000 0.000 0.304 143 N C -0.897 174.619 175.510 0.010 0.000 1.135 143 N CA -0.433 52.627 53.050 0.017 0.000 0.817 143 N CB 2.303 40.755 38.487 -0.060 0.000 1.294 143 N HN -0.066 nan 8.380 nan 0.000 0.497 144 I N 1.663 122.279 120.570 0.075 0.000 2.466 144 I HA 0.254 4.425 4.170 0.000 0.000 0.289 144 I C -1.071 175.106 176.117 0.100 0.000 1.026 144 I CA -0.842 60.492 61.300 0.056 0.000 1.078 144 I CB 2.187 40.218 38.000 0.052 0.000 1.249 144 I HN 0.160 nan 8.210 nan 0.000 0.429 145 L N 8.328 129.574 121.223 0.039 0.000 2.298 145 L HA 0.560 4.900 4.340 0.000 0.000 0.284 145 L C -0.640 176.259 176.870 0.047 0.000 1.013 145 L CA -0.187 54.679 54.840 0.044 0.000 0.824 145 L CB 1.043 43.072 42.059 -0.050 0.000 1.221 145 L HN 0.370 nan 8.230 nan 0.000 0.418 146 I N 5.573 126.189 120.570 0.077 0.000 2.352 146 I HA 0.480 4.650 4.170 0.000 0.000 0.290 146 I C 0.516 176.668 176.117 0.058 0.000 1.036 146 I CA -0.103 61.236 61.300 0.065 0.000 1.336 146 I CB 1.366 39.409 38.000 0.071 0.000 1.407 146 I HN 0.835 nan 8.210 nan 0.000 0.497 147 A N 3.419 126.270 122.820 0.051 0.000 2.897 147 A HA 0.177 4.497 4.320 0.000 0.000 0.230 147 A C 0.953 178.576 177.584 0.064 0.000 0.896 147 A CA -0.294 51.770 52.037 0.046 0.000 1.114 147 A CB -0.419 18.596 19.000 0.025 0.000 1.230 147 A HN 0.734 nan 8.150 nan 0.000 0.481 148 T N -2.759 111.847 114.554 0.085 0.000 3.155 148 T HA 0.369 4.719 4.350 0.000 0.000 0.264 148 T C 1.529 176.324 174.700 0.158 0.000 1.160 148 T CA 1.204 63.383 62.100 0.132 0.000 1.075 148 T CB -0.466 68.506 68.868 0.175 0.000 0.921 148 T HN 2.027 nan 8.240 nan 0.000 0.533 149 G N 1.725 110.591 108.800 0.110 0.000 2.582 149 G HA2 -0.188 3.772 3.960 0.000 0.000 0.288 149 G HA3 -0.188 3.772 3.960 0.000 0.000 0.288 149 G C 0.086 175.064 174.900 0.130 0.000 1.247 149 G CA 0.491 45.647 45.100 0.093 0.000 0.972 149 G HN 1.555 nan 8.290 nan 0.000 0.557 150 S N -0.603 115.148 115.700 0.084 0.000 2.740 150 S HA 0.841 5.311 4.470 0.000 0.000 0.300 150 S C -0.537 174.083 174.600 0.034 0.000 1.147 150 S CA 0.390 58.649 58.200 0.098 0.000 0.871 150 S CB 2.469 65.712 63.200 0.072 0.000 1.173 150 S HN 1.714 nan 8.310 nan 0.000 0.510 151 E N -0.695 119.545 120.200 0.066 0.000 2.449 151 E HA 0.633 4.983 4.350 0.000 0.000 0.278 151 E C -1.489 175.143 176.600 0.053 0.000 0.992 151 E CA -1.302 55.112 56.400 0.025 0.000 0.807 151 E CB 1.358 31.098 29.700 0.067 0.000 1.350 151 E HN 0.391 nan 8.360 nan 0.000 0.462 152 V N 1.491 121.431 119.914 0.042 0.000 2.572 152 V HA 0.098 4.218 4.120 0.000 0.000 0.291 152 V C 0.110 176.248 176.094 0.073 0.000 1.039 152 V CA 0.098 62.432 62.300 0.057 0.000 1.055 152 V CB 1.042 32.895 31.823 0.050 0.000 0.969 152 V HN 0.700 nan 8.190 nan 0.000 0.482 153 T N 8.446 123.047 114.554 0.078 0.000 2.738 153 T HA 0.242 4.592 4.350 0.000 0.000 0.293 153 T C -2.183 172.571 174.700 0.091 0.000 0.913 153 T CA -0.598 61.548 62.100 0.077 0.000 1.103 153 T CB 0.748 69.659 68.868 0.071 0.000 0.880 153 T HN 0.513 nan 8.240 nan 0.000 0.526 154 P HA 0.199 nan 4.420 nan 0.000 0.270 154 P C -0.764 176.608 177.300 0.119 0.000 1.223 154 P CA -0.554 62.606 63.100 0.100 0.000 0.785 154 P CB 0.411 32.153 31.700 0.070 0.000 0.923 155 F N 3.000 122.963 119.950 0.022 0.000 2.404 155 F HA 0.415 4.942 4.527 0.000 0.000 0.354 155 F C -2.153 173.656 175.800 0.016 0.000 1.122 155 F CA -2.842 55.169 58.000 0.019 0.000 1.080 155 F CB 0.676 39.691 39.000 0.024 0.000 1.131 155 F HN 0.211 nan 8.300 nan 0.000 0.471 156 P HA 0.138 nan 4.420 nan 0.000 0.258 156 P C 0.491 177.721 177.300 -0.117 0.000 1.172 156 P CA 1.510 64.435 63.100 -0.291 0.000 0.762 156 P CB 0.287 31.758 31.700 -0.382 0.000 0.764 157 G N 2.796 111.608 108.800 0.020 0.000 2.195 157 G HA2 -0.230 3.730 3.960 0.000 0.000 0.246 157 G HA3 -0.230 3.730 3.960 0.000 0.000 0.246 157 G C 0.074 175.067 174.900 0.154 0.000 0.984 157 G CA -0.343 44.810 45.100 0.088 0.000 0.633 157 G HN 0.511 nan 8.290 nan 0.000 0.525 158 I N 1.594 122.302 120.570 0.229 0.000 2.406 158 I HA 0.410 4.580 4.170 0.000 0.000 0.290 158 I C -0.280 175.914 176.117 0.128 0.000 0.999 158 I CA -0.641 60.770 61.300 0.185 0.000 1.124 158 I CB 2.226 40.361 38.000 0.224 0.000 1.289 158 I HN -0.031 nan 8.210 nan 0.000 0.441 159 T N 7.105 121.704 114.554 0.075 0.000 2.753 159 T HA 0.478 4.828 4.350 0.000 0.000 0.297 159 T C 0.185 174.908 174.700 0.039 0.000 0.981 159 T CA -0.303 61.830 62.100 0.055 0.000 0.956 159 T CB 0.232 69.123 68.868 0.038 0.000 0.936 159 T HN 0.259 nan 8.240 nan 0.000 0.463 160 I N 4.045 124.641 120.570 0.043 0.000 2.618 160 I HA 0.084 4.254 4.170 0.000 0.000 0.284 160 I C 0.994 177.121 176.117 0.016 0.000 1.146 160 I CA 0.149 61.465 61.300 0.026 0.000 1.425 160 I CB 0.690 38.710 38.000 0.034 0.000 1.383 160 I HN 0.706 nan 8.210 nan 0.000 0.562 161 D N 4.307 124.708 120.400 0.002 0.000 2.520 161 D HA -0.024 4.616 4.640 0.000 0.000 0.223 161 D C 0.397 176.691 176.300 -0.010 0.000 1.186 161 D CA -0.087 53.912 54.000 -0.002 0.000 0.821 161 D CB 0.264 41.061 40.800 -0.005 0.000 1.072 161 D HN 0.430 nan 8.370 nan 0.000 0.518 162 E N -0.007 120.184 120.200 -0.015 0.000 2.971 162 E HA -0.216 4.134 4.350 0.000 0.000 0.278 162 E C 0.142 176.720 176.600 -0.037 0.000 1.009 162 E CA 1.317 57.703 56.400 -0.023 0.000 0.862 162 E CB -1.530 28.161 29.700 -0.014 0.000 1.436 162 E HN 0.576 nan 8.360 nan 0.000 0.434 163 D N -0.711 119.663 120.400 -0.042 0.000 3.013 163 D HA 0.109 4.749 4.640 0.000 0.000 0.256 163 D C 1.672 177.928 176.300 -0.073 0.000 1.573 163 D CA 2.114 56.083 54.000 -0.052 0.000 1.197 163 D CB -0.229 40.547 40.800 -0.040 0.000 1.041 163 D HN 0.130 nan 8.370 nan 0.000 0.304 164 T N -1.367 113.147 114.554 -0.066 0.000 3.014 164 T HA 0.340 4.690 4.350 0.000 0.000 0.250 164 T C 1.064 175.718 174.700 -0.078 0.000 1.060 164 T CA -0.078 61.973 62.100 -0.082 0.000 1.040 164 T CB 0.316 69.142 68.868 -0.071 0.000 0.971 164 T HN 0.110 nan 8.240 nan 0.000 0.497 165 I N 3.456 123.992 120.570 -0.057 0.000 2.359 165 I HA 0.503 4.673 4.170 0.000 0.000 0.284 165 I C -0.444 175.649 176.117 -0.040 0.000 1.018 165 I CA -1.259 60.013 61.300 -0.047 0.000 1.173 165 I CB 1.711 39.695 38.000 -0.027 0.000 1.326 165 I HN 0.099 nan 8.210 nan 0.000 0.462 166 V N 2.582 122.467 119.914 -0.048 0.000 3.046 166 V HA 0.772 4.892 4.120 0.000 0.000 0.316 166 V C 0.153 176.241 176.094 -0.010 0.000 1.104 166 V CA -0.524 61.756 62.300 -0.034 0.000 1.006 166 V CB 1.675 33.464 31.823 -0.057 0.000 1.058 166 V HN 0.705 nan 8.190 nan 0.000 0.440 167 S N 0.951 116.654 115.700 0.006 0.000 2.690 167 S HA 0.388 4.858 4.470 0.000 0.000 0.285 167 S C 1.391 176.010 174.600 0.032 0.000 1.135 167 S CA 0.096 58.311 58.200 0.026 0.000 1.020 167 S CB 0.979 64.196 63.200 0.029 0.000 1.159 167 S HN 1.708 nan 8.310 nan 0.000 0.534 168 S N 0.194 115.923 115.700 0.048 0.000 2.400 168 S HA -0.142 4.328 4.470 0.000 0.000 0.232 168 S C 1.710 176.344 174.600 0.056 0.000 1.025 168 S CA 1.709 59.947 58.200 0.064 0.000 0.993 168 S CB -1.633 61.607 63.200 0.067 0.000 0.808 168 S HN 0.769 nan 8.310 nan 0.000 0.478 169 T N 2.094 116.668 114.554 0.035 0.000 2.708 169 T HA 0.019 4.369 4.350 0.000 0.000 0.266 169 T C 2.078 176.794 174.700 0.027 0.000 1.037 169 T CA 1.507 63.622 62.100 0.025 0.000 1.146 169 T CB -1.112 67.761 68.868 0.008 0.000 0.865 169 T HN 0.640 nan 8.240 nan 0.000 0.435 170 G N 0.879 109.688 108.800 0.014 0.000 2.408 170 G HA2 0.008 3.968 3.960 0.000 0.000 0.217 170 G HA3 0.008 3.968 3.960 0.000 0.000 0.217 170 G C 1.787 176.687 174.900 0.001 0.000 1.150 170 G CA 0.803 45.901 45.100 -0.004 0.000 0.776 170 G HN 0.577 nan 8.290 nan 0.000 0.542 171 A N 0.456 123.291 122.820 0.025 0.000 2.015 171 A HA 0.182 4.502 4.320 0.000 0.000 0.219 171 A C 2.216 179.965 177.584 0.274 0.000 1.163 171 A CA 0.763 52.843 52.037 0.072 0.000 0.646 171 A CB -0.265 18.800 19.000 0.110 0.000 0.806 171 A HN 0.358 nan 8.150 nan 0.000 0.448 172 L N -0.537 120.799 121.223 0.189 0.000 2.610 172 L HA 0.041 4.381 4.340 0.000 0.000 0.232 172 L C 0.844 177.821 176.870 0.179 0.000 1.149 172 L CA 0.550 55.501 54.840 0.186 0.000 0.872 172 L CB 0.153 42.265 42.059 0.088 0.000 0.992 172 L HN 0.237 nan 8.230 nan 0.000 0.447 173 S N -0.597 115.197 115.700 0.157 0.000 3.031 173 S HA 0.317 4.787 4.470 0.000 0.000 0.253 173 S C 0.365 175.009 174.600 0.073 0.000 0.996 173 S CA -0.537 57.729 58.200 0.111 0.000 1.098 173 S CB 0.357 63.586 63.200 0.049 0.000 1.042 173 S HN 0.082 nan 8.310 nan 0.000 0.593 174 L N 1.754 123.006 121.223 0.048 0.000 2.516 174 L HA 0.104 4.444 4.340 0.000 0.000 0.288 174 L C 1.341 178.193 176.870 -0.030 0.000 1.246 174 L CA -0.006 54.748 54.840 -0.142 0.000 0.844 174 L CB 0.329 42.034 42.059 -0.590 0.000 1.106 174 L HN 0.050 nan 8.230 nan 0.000 0.509 175 K N 1.664 122.022 120.400 -0.070 0.000 2.367 175 K HA 0.119 4.439 4.320 0.000 0.000 0.194 175 K C -0.143 176.442 176.600 -0.025 0.000 1.027 175 K CA 0.456 56.728 56.287 -0.026 0.000 1.075 175 K CB 0.060 32.539 32.500 -0.034 0.000 0.845 175 K HN 0.632 nan 8.250 nan 0.000 0.529 176 K N -1.723 118.637 120.400 -0.066 0.000 2.597 176 K HA 0.311 4.631 4.320 0.000 0.000 0.282 176 K C -0.833 175.715 176.600 -0.087 0.000 0.975 176 K CA -0.858 55.403 56.287 -0.044 0.000 0.867 176 K CB 1.360 33.827 32.500 -0.056 0.000 1.465 176 K HN -0.298 nan 8.250 nan 0.000 0.417 177 V N 3.088 123.003 119.914 0.001 0.000 2.479 177 V HA 0.186 4.306 4.120 0.000 0.000 0.281 177 V C -1.713 174.321 176.094 -0.100 0.000 1.031 177 V CA -0.876 61.440 62.300 0.027 0.000 1.038 177 V CB 0.256 32.135 31.823 0.092 0.000 0.981 177 V HN 0.734 nan 8.190 nan 0.000 0.478 178 P HA 0.172 nan 4.420 nan 0.000 0.278 178 P C 0.532 177.767 177.300 -0.108 0.000 1.238 178 P CA -0.341 62.646 63.100 -0.188 0.000 0.794 178 P CB 1.397 32.925 31.700 -0.288 0.000 0.955 179 E N 2.359 122.507 120.200 -0.085 0.000 2.077 179 E HA -0.135 4.215 4.350 0.000 0.000 0.193 179 E C 0.224 176.785 176.600 -0.065 0.000 0.989 179 E CA 1.060 57.425 56.400 -0.058 0.000 0.800 179 E CB 0.215 29.886 29.700 -0.048 0.000 0.746 179 E HN 0.350 nan 8.360 nan 0.000 0.452 180 K N 0.226 120.576 120.400 -0.084 0.000 2.468 180 K HA 0.341 4.661 4.320 0.000 0.000 0.252 180 K C -1.486 175.047 176.600 -0.111 0.000 0.932 180 K CA -0.619 55.617 56.287 -0.086 0.000 0.794 180 K CB 1.719 34.179 32.500 -0.067 0.000 1.241 180 K HN 0.046 nan 8.250 nan 0.000 0.428 181 M N 4.355 123.884 119.600 -0.120 0.000 2.457 181 M HA 0.426 4.906 4.480 0.000 0.000 0.300 181 M C -1.809 174.422 176.300 -0.114 0.000 1.141 181 M CA -0.842 54.376 55.300 -0.136 0.000 0.901 181 M CB 2.023 34.521 32.600 -0.170 0.000 1.687 181 M HN 0.366 nan 8.290 nan 0.000 0.449 182 V N 4.528 124.384 119.914 -0.097 0.000 2.513 182 V HA 0.595 4.715 4.120 0.000 0.000 0.299 182 V C -0.791 175.268 176.094 -0.057 0.000 1.035 182 V CA -0.658 61.598 62.300 -0.073 0.000 0.889 182 V CB 2.003 33.785 31.823 -0.069 0.000 0.988 182 V HN 0.702 nan 8.190 nan 0.000 0.440 183 V N 6.045 125.948 119.914 -0.018 0.000 2.448 183 V HA 0.481 4.601 4.120 0.000 0.000 0.295 183 V C -0.139 175.971 176.094 0.026 0.000 1.025 183 V CA -0.460 61.853 62.300 0.022 0.000 0.859 183 V CB 1.782 33.664 31.823 0.100 0.000 0.988 183 V HN 0.665 nan 8.190 nan 0.000 0.431 184 I N 4.807 125.371 120.570 -0.011 0.000 2.291 184 I HA 0.648 4.818 4.170 0.000 0.000 0.292 184 I C 0.784 176.930 176.117 0.048 0.000 1.064 184 I CA 0.166 61.447 61.300 -0.032 0.000 1.269 184 I CB 0.853 38.744 38.000 -0.183 0.000 1.418 184 I HN 0.897 nan 8.210 nan 0.000 0.485 185 G N 4.567 113.422 108.800 0.092 0.000 3.367 185 G HA2 0.114 4.074 3.960 0.000 0.000 0.686 185 G HA3 0.114 4.074 3.960 0.000 0.000 0.686 185 G C -0.378 174.612 174.900 0.150 0.000 1.146 185 G CA -0.383 44.790 45.100 0.121 0.000 0.913 185 G HN 0.872 nan 8.290 nan 0.000 0.554 186 A N 1.736 124.638 122.820 0.138 0.000 3.159 186 A HA 0.783 5.103 4.320 0.000 0.000 0.301 186 A C 1.299 178.951 177.584 0.113 0.000 1.271 186 A CA 1.006 53.139 52.037 0.161 0.000 0.998 186 A CB -0.185 18.897 19.000 0.137 0.000 1.101 186 A HN 2.060 nan 8.150 nan 0.000 0.610 187 G N -1.187 107.697 108.800 0.139 0.000 2.543 187 G HA2 0.389 4.349 3.960 0.000 0.000 0.290 187 G HA3 0.389 4.349 3.960 0.000 0.000 0.290 187 G C 1.104 176.128 174.900 0.206 0.000 1.310 187 G CA 0.127 45.320 45.100 0.155 0.000 1.025 187 G HN 0.173 nan 8.290 nan 0.000 0.502 188 V N 0.257 120.306 119.914 0.225 0.000 2.231 188 V HA -0.267 3.853 4.120 0.000 0.000 0.250 188 V C 2.855 179.084 176.094 0.224 0.000 1.058 188 V CA 2.132 64.577 62.300 0.241 0.000 1.022 188 V CB -0.837 31.112 31.823 0.211 0.000 0.640 188 V HN 0.599 nan 8.190 nan 0.000 0.445 189 I N 0.552 121.234 120.570 0.185 0.000 2.208 189 I HA -0.189 3.981 4.170 0.000 0.000 0.245 189 I C 2.586 178.818 176.117 0.191 0.000 1.097 189 I CA 1.768 63.169 61.300 0.168 0.000 1.363 189 I CB -0.939 37.140 38.000 0.132 0.000 1.051 189 I HN 0.425 nan 8.210 nan 0.000 0.413 190 G N 0.279 109.200 108.800 0.203 0.000 2.421 190 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 190 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 190 G C 1.731 176.833 174.900 0.336 0.000 1.171 190 G CA 0.803 46.043 45.100 0.234 0.000 0.775 190 G HN 0.229 nan 8.290 nan 0.000 0.543 191 V N 0.717 120.846 119.914 0.358 0.000 2.295 191 V HA -0.191 3.929 4.120 0.000 0.000 0.246 191 V C 2.742 179.118 176.094 0.470 0.000 1.049 191 V CA 2.314 64.888 62.300 0.457 0.000 1.024 191 V CB -0.475 31.554 31.823 0.343 0.000 0.648 191 V HN 0.480 nan 8.190 nan 0.000 0.447 192 E N -0.107 120.295 120.200 0.337 0.000 2.038 192 E HA -0.222 4.128 4.350 0.000 0.000 0.195 192 E C 2.230 178.944 176.600 0.190 0.000 1.000 192 E CA 1.540 58.097 56.400 0.260 0.000 0.803 192 E CB -0.240 29.585 29.700 0.209 0.000 0.750 192 E HN 0.492 nan 8.360 nan 0.000 0.448 193 L N 0.246 121.579 121.223 0.183 0.000 2.093 193 L HA -0.083 4.257 4.340 0.000 0.000 0.208 193 L C 2.579 179.545 176.870 0.160 0.000 1.085 193 L CA 1.004 55.940 54.840 0.159 0.000 0.755 193 L CB -0.710 41.468 42.059 0.199 0.000 0.904 193 L HN 0.250 nan 8.230 nan 0.000 0.435 194 G N -0.950 107.942 108.800 0.152 0.000 2.421 194 G HA2 -0.294 3.666 3.960 0.000 0.000 0.216 194 G HA3 -0.294 3.666 3.960 0.000 0.000 0.216 194 G C 1.810 176.490 174.900 -0.367 0.000 1.171 194 G CA 1.020 46.036 45.100 -0.141 0.000 0.775 194 G HN 0.321 nan 8.290 nan 0.000 0.543 195 S N -0.519 115.156 115.700 -0.043 0.000 2.368 195 S HA -0.101 4.369 4.470 0.000 0.000 0.225 195 S C 2.544 177.085 174.600 -0.099 0.000 1.030 195 S CA 1.340 59.539 58.200 -0.002 0.000 0.999 195 S CB -0.306 63.044 63.200 0.249 0.000 0.844 195 S HN 0.133 nan 8.310 nan 0.000 0.459 196 V N 0.156 119.992 119.914 -0.130 0.000 2.252 196 V HA -0.231 3.889 4.120 0.000 0.000 0.249 196 V C 1.972 177.781 176.094 -0.474 0.000 1.056 196 V CA 2.183 64.283 62.300 -0.333 0.000 1.022 196 V CB -0.826 30.697 31.823 -0.501 0.000 0.641 196 V HN 0.684 nan 8.190 nan 0.000 0.445 197 W N -0.814 120.406 121.300 -0.134 0.000 2.436 197 W HA -0.085 4.575 4.660 0.000 0.000 0.284 197 W C 2.630 179.040 176.519 -0.182 0.000 1.225 197 W CA 0.951 58.201 57.345 -0.157 0.000 1.271 197 W CB -0.333 29.031 29.460 -0.159 0.000 1.114 197 W HN 0.161 nan 8.180 nan 0.000 0.559 198 Q N 1.420 121.168 119.800 -0.087 0.000 2.061 198 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 198 Q C 2.014 177.967 176.000 -0.078 0.000 0.984 198 Q CA 1.756 57.473 55.803 -0.144 0.000 0.846 198 Q CB -0.300 28.259 28.738 -0.298 0.000 0.902 198 Q HN 0.322 nan 8.270 nan 0.000 0.421 199 R N -0.110 120.331 120.500 -0.098 0.000 2.091 199 R HA -0.057 4.283 4.340 0.000 0.000 0.238 199 R C 2.427 178.753 176.300 0.043 0.000 1.136 199 R CA 1.268 57.344 56.100 -0.040 0.000 0.959 199 R CB -0.309 29.963 30.300 -0.046 0.000 0.856 199 R HN 0.272 nan 8.270 nan 0.000 0.437 200 L N -0.581 120.589 121.223 -0.087 0.000 2.622 200 L HA 0.069 4.409 4.340 0.000 0.000 0.233 200 L C 1.197 178.021 176.870 -0.075 0.000 1.156 200 L CA 0.767 55.490 54.840 -0.195 0.000 0.866 200 L CB 0.012 41.897 42.059 -0.289 0.000 0.980 200 L HN 0.596 nan 8.230 nan 0.000 0.448 201 G N -0.885 107.917 108.800 0.004 0.000 2.227 201 G HA2 -0.136 3.824 3.960 0.000 0.000 0.168 201 G HA3 -0.136 3.824 3.960 0.000 0.000 0.168 201 G C 0.285 175.195 174.900 0.016 0.000 1.006 201 G CA -0.202 44.906 45.100 0.013 0.000 0.684 201 G HN 0.399 nan 8.290 nan 0.000 0.489 202 A N 0.384 123.223 122.820 0.031 0.000 2.340 202 A HA 0.553 4.873 4.320 0.000 0.000 0.268 202 A C 0.089 177.644 177.584 -0.048 0.000 1.100 202 A CA 0.328 52.364 52.037 -0.002 0.000 0.803 202 A CB 0.566 19.580 19.000 0.023 0.000 1.043 202 A HN 0.318 nan 8.150 nan 0.000 0.488 203 D N 1.990 122.354 120.400 -0.059 0.000 2.339 203 D HA 0.375 5.015 4.640 0.000 0.000 0.241 203 D C -0.850 175.382 176.300 -0.114 0.000 1.183 203 D CA 0.188 54.146 54.000 -0.071 0.000 0.859 203 D CB 0.722 41.492 40.800 -0.051 0.000 1.067 203 D HN 0.107 nan 8.370 nan 0.000 0.484 204 V N 3.593 123.403 119.914 -0.174 0.000 2.555 204 V HA 0.490 4.610 4.120 0.000 0.000 0.302 204 V C 0.268 176.231 176.094 -0.219 0.000 1.038 204 V CA -0.615 61.526 62.300 -0.263 0.000 0.887 204 V CB 2.095 33.600 31.823 -0.531 0.000 0.991 204 V HN 0.567 nan 8.190 nan 0.000 0.434 205 T N 3.531 117.999 114.554 -0.143 0.000 2.928 205 T HA 0.693 5.043 4.350 0.000 0.000 0.296 205 T C -0.279 174.416 174.700 -0.009 0.000 1.000 205 T CA -0.321 61.733 62.100 -0.075 0.000 0.989 205 T CB 1.651 70.485 68.868 -0.056 0.000 1.005 205 T HN 0.942 nan 8.240 nan 0.000 0.442 206 A N 2.952 125.792 122.820 0.032 0.000 2.292 206 A HA 0.784 5.104 4.320 0.000 0.000 0.319 206 A C -0.299 177.361 177.584 0.127 0.000 1.206 206 A CA -0.582 51.538 52.037 0.138 0.000 0.835 206 A CB 0.655 19.834 19.000 0.298 0.000 1.164 206 A HN 0.681 nan 8.150 nan 0.000 0.505 207 V N 2.266 122.238 119.914 0.097 0.000 2.435 207 V HA 0.582 4.702 4.120 0.000 0.000 0.290 207 V C -0.247 175.907 176.094 0.100 0.000 1.030 207 V CA -0.339 62.008 62.300 0.079 0.000 0.881 207 V CB 1.337 33.177 31.823 0.027 0.000 0.983 207 V HN 1.018 nan 8.190 nan 0.000 0.445 208 E N 2.712 122.971 120.200 0.098 0.000 2.275 208 E HA 0.375 4.725 4.350 0.000 0.000 0.270 208 E C -0.140 176.518 176.600 0.097 0.000 0.882 208 E CA -0.628 55.834 56.400 0.103 0.000 0.758 208 E CB 1.540 31.277 29.700 0.062 0.000 1.195 208 E HN 0.369 nan 8.360 nan 0.000 0.419 209 F N 4.003 123.971 119.950 0.031 0.000 2.102 209 F HA 0.016 4.544 4.527 0.000 0.000 0.298 209 F C 0.510 176.315 175.800 0.007 0.000 1.105 209 F CA 1.034 59.054 58.000 0.033 0.000 1.239 209 F CB 0.213 39.244 39.000 0.052 0.000 0.991 209 F HN 0.406 nan 8.300 nan 0.000 0.474 210 L N -0.316 121.009 121.223 0.170 0.000 2.470 210 L HA 0.174 4.514 4.340 0.000 0.000 0.243 210 L C 1.850 178.692 176.870 -0.047 0.000 1.227 210 L CA 0.707 55.582 54.840 0.059 0.000 0.824 210 L CB -0.691 41.365 42.059 -0.004 0.000 1.175 210 L HN 0.151 nan 8.230 nan 0.000 0.503 211 G N -0.739 108.058 108.800 -0.005 0.000 3.371 211 G HA2 0.121 4.081 3.960 0.000 0.000 0.248 211 G HA3 0.121 4.081 3.960 0.000 0.000 0.248 211 G C 0.239 175.154 174.900 0.024 0.000 1.161 211 G CA 0.110 45.208 45.100 -0.004 0.000 0.796 211 G HN 0.779 nan 8.290 nan 0.000 0.539 212 H N -2.240 116.795 119.070 -0.059 0.000 3.017 212 H HA 0.572 5.128 4.556 0.000 0.000 0.346 212 H C -1.440 173.823 175.328 -0.109 0.000 1.286 212 H CA -0.746 55.240 56.048 -0.104 0.000 1.120 212 H CB 1.374 31.083 29.762 -0.088 0.000 1.860 212 H HN 0.178 nan 8.280 nan 0.000 0.542 213 V N -1.876 117.942 119.914 -0.159 0.000 2.975 213 V HA 0.778 4.898 4.120 0.000 0.000 0.318 213 V C 0.974 177.137 176.094 0.115 0.000 1.077 213 V CA 0.158 62.352 62.300 -0.176 0.000 1.000 213 V CB 0.871 32.435 31.823 -0.433 0.000 1.066 213 V HN 1.510 nan 8.190 nan 0.000 0.452 214 G N 0.131 109.028 108.800 0.162 0.000 2.163 214 G HA2 0.316 4.276 3.960 0.000 0.000 0.213 214 G HA3 0.316 4.276 3.960 0.000 0.000 0.213 214 G C 1.488 176.578 174.900 0.317 0.000 0.991 214 G CA 0.325 45.602 45.100 0.295 0.000 0.653 214 G HN 2.978 nan 8.290 nan 0.000 0.518 215 G N -1.609 107.336 108.800 0.241 0.000 2.752 215 G HA2 0.199 4.159 3.960 0.000 0.000 0.234 215 G HA3 0.199 4.159 3.960 0.000 0.000 0.234 215 G C 0.659 175.769 174.900 0.350 0.000 1.367 215 G CA 0.955 46.211 45.100 0.260 0.000 0.879 215 G HN 2.020 nan 8.290 nan 0.000 0.563 216 V N -1.460 118.618 119.914 0.274 0.000 2.637 216 V HA 0.610 4.730 4.120 0.000 0.000 0.296 216 V C 1.767 178.010 176.094 0.249 0.000 1.046 216 V CA 1.055 63.494 62.300 0.231 0.000 1.066 216 V CB 0.424 32.350 31.823 0.172 0.000 0.968 216 V HN 3.017 nan 8.190 nan 0.000 0.483 217 G N 3.320 112.199 108.800 0.132 0.000 2.234 217 G HA2 -0.253 3.707 3.960 0.000 0.000 0.235 217 G HA3 -0.253 3.707 3.960 0.000 0.000 0.235 217 G C 0.204 175.001 174.900 -0.171 0.000 0.997 217 G CA 0.153 45.328 45.100 0.125 0.000 0.623 217 G HN 1.168 nan 8.290 nan 0.000 0.514 218 I N 2.094 122.423 120.570 -0.402 0.000 2.648 218 I HA 0.325 4.495 4.170 0.000 0.000 0.284 218 I C 0.622 176.277 176.117 -0.769 0.000 1.153 218 I CA -0.094 60.554 61.300 -1.087 0.000 1.426 218 I CB 0.514 38.008 38.000 -0.843 0.000 1.381 218 I HN 0.290 nan 8.210 nan 0.000 0.571 219 D N 6.247 126.122 120.400 -0.876 0.000 2.455 219 D HA -0.049 4.591 4.640 0.000 0.000 0.241 219 D C 1.107 177.112 176.300 -0.491 0.000 1.138 219 D CA -0.156 53.416 54.000 -0.713 0.000 0.877 219 D CB 0.915 41.099 40.800 -1.026 0.000 1.187 219 D HN 0.438 nan 8.370 nan 0.000 0.451 220 M N 2.526 121.896 119.600 -0.383 0.000 2.080 220 M HA -0.150 4.330 4.480 0.000 0.000 0.260 220 M C 1.842 178.022 176.300 -0.201 0.000 1.068 220 M CA 1.634 56.764 55.300 -0.285 0.000 1.109 220 M CB -1.066 31.405 32.600 -0.214 0.000 1.342 220 M HN 0.728 nan 8.290 nan 0.000 0.405 221 E N 0.107 120.197 120.200 -0.183 0.000 2.085 221 E HA -0.202 4.148 4.350 0.000 0.000 0.194 221 E C 1.950 178.485 176.600 -0.109 0.000 0.994 221 E CA 1.087 57.415 56.400 -0.120 0.000 0.801 221 E CB 0.125 29.765 29.700 -0.100 0.000 0.743 221 E HN 0.318 nan 8.360 nan 0.000 0.453 222 I N 0.804 121.274 120.570 -0.168 0.000 2.179 222 I HA -0.236 3.934 4.170 0.000 0.000 0.242 222 I C 2.653 178.734 176.117 -0.061 0.000 1.088 222 I CA 1.188 62.413 61.300 -0.125 0.000 1.357 222 I CB -1.377 36.494 38.000 -0.216 0.000 1.051 222 I HN 0.199 nan 8.210 nan 0.000 0.409 223 S N 0.581 116.212 115.700 -0.114 0.000 2.359 223 S HA -0.230 4.240 4.470 0.000 0.000 0.224 223 S C 2.021 176.623 174.600 0.004 0.000 1.035 223 S CA 1.688 59.882 58.200 -0.010 0.000 1.018 223 S CB -0.021 63.141 63.200 -0.063 0.000 0.876 223 S HN 0.207 nan 8.310 nan 0.000 0.448 224 K N 1.777 122.150 120.400 -0.045 0.000 2.057 224 K HA 0.112 4.432 4.320 0.000 0.000 0.206 224 K C 1.958 178.541 176.600 -0.028 0.000 1.050 224 K CA 1.367 57.622 56.287 -0.053 0.000 0.935 224 K CB -0.499 31.969 32.500 -0.052 0.000 0.715 224 K HN 0.329 nan 8.250 nan 0.000 0.439 225 N N -0.113 118.591 118.700 0.008 0.000 2.142 225 N HA -0.142 4.598 4.740 0.000 0.000 0.186 225 N C 1.515 177.081 175.510 0.094 0.000 1.023 225 N CA 0.809 53.882 53.050 0.038 0.000 0.852 225 N CB -0.377 38.136 38.487 0.043 0.000 0.998 225 N HN 0.099 nan 8.380 nan 0.000 0.424 226 F N 2.294 122.205 119.950 -0.066 0.000 2.069 226 F HA -0.171 4.356 4.527 0.000 0.000 0.298 226 F C 2.516 178.260 175.800 -0.094 0.000 1.113 226 F CA 1.600 59.562 58.000 -0.062 0.000 1.214 226 F CB -0.862 38.098 39.000 -0.067 0.000 0.978 226 F HN 0.110 nan 8.300 nan 0.000 0.474 227 Q N 0.363 119.988 119.800 -0.292 0.000 2.096 227 Q HA -0.284 4.056 4.340 0.000 0.000 0.204 227 Q C 2.579 178.433 176.000 -0.244 0.000 0.982 227 Q CA 2.041 57.536 55.803 -0.512 0.000 0.850 227 Q CB -0.437 28.000 28.738 -0.503 0.000 0.901 227 Q HN 0.486 nan 8.270 nan 0.000 0.422 228 R N 0.060 120.492 120.500 -0.113 0.000 2.091 228 R HA -0.146 4.194 4.340 0.000 0.000 0.238 228 R C 2.281 178.581 176.300 0.000 0.000 1.136 228 R CA 1.660 57.741 56.100 -0.032 0.000 0.959 228 R CB -0.263 30.032 30.300 -0.008 0.000 0.856 228 R HN 0.388 nan 8.270 nan 0.000 0.437 229 I N 0.718 121.291 120.570 0.005 0.000 2.202 229 I HA -0.304 3.866 4.170 0.000 0.000 0.242 229 I C 2.205 178.346 176.117 0.039 0.000 1.091 229 I CA 1.150 62.478 61.300 0.047 0.000 1.368 229 I CB -0.247 37.812 38.000 0.099 0.000 1.058 229 I HN 0.217 nan 8.210 nan 0.000 0.410 230 L N 0.097 121.292 121.223 -0.046 0.000 2.042 230 L HA -0.258 4.082 4.340 0.000 0.000 0.210 230 L C 2.655 179.605 176.870 0.132 0.000 1.076 230 L CA 1.526 56.374 54.840 0.014 0.000 0.749 230 L CB -0.687 41.270 42.059 -0.169 0.000 0.893 230 L HN 0.331 nan 8.230 nan 0.000 0.432 231 Q N -0.099 119.776 119.800 0.125 0.000 2.119 231 Q HA -0.229 4.111 4.340 0.000 0.000 0.201 231 Q C 2.216 178.276 176.000 0.101 0.000 0.972 231 Q CA 1.306 57.194 55.803 0.141 0.000 0.847 231 Q CB -0.091 28.726 28.738 0.133 0.000 0.903 231 Q HN 0.378 nan 8.270 nan 0.000 0.433 232 K N 0.704 121.154 120.400 0.083 0.000 2.209 232 K HA -0.173 4.147 4.320 0.000 0.000 0.204 232 K C 1.872 178.527 176.600 0.092 0.000 1.048 232 K CA 1.069 57.404 56.287 0.079 0.000 0.940 232 K CB 0.144 32.689 32.500 0.074 0.000 0.729 232 K HN 0.206 nan 8.250 nan 0.000 0.451 233 Q N -1.518 118.343 119.800 0.102 0.000 2.435 233 Q HA 0.005 4.345 4.340 0.000 0.000 0.207 233 Q C 0.809 176.859 176.000 0.083 0.000 0.956 233 Q CA 0.782 56.642 55.803 0.095 0.000 0.917 233 Q CB 0.669 29.459 28.738 0.087 0.000 0.997 233 Q HN 0.548 nan 8.270 nan 0.000 0.497 234 G N 0.082 108.941 108.800 0.097 0.000 2.192 234 G HA2 -0.236 3.724 3.960 0.000 0.000 0.193 234 G HA3 -0.236 3.724 3.960 0.000 0.000 0.193 234 G C -0.407 174.543 174.900 0.083 0.000 0.999 234 G CA -0.525 44.618 45.100 0.073 0.000 0.659 234 G HN 0.275 nan 8.290 nan 0.000 0.503 235 F N 3.273 123.172 119.950 -0.086 0.000 2.444 235 F HA 0.649 5.176 4.527 0.000 0.000 0.360 235 F C 0.652 176.228 175.800 -0.373 0.000 1.106 235 F CA -1.124 56.743 58.000 -0.221 0.000 1.170 235 F CB 0.475 39.370 39.000 -0.176 0.000 1.113 235 F HN 0.032 nan 8.300 nan 0.000 0.521 236 K N 5.463 125.870 120.400 0.011 0.000 2.098 236 K HA 0.553 4.873 4.320 0.000 0.000 0.261 236 K C -1.366 174.901 176.600 -0.555 0.000 0.987 236 K CA -0.381 55.806 56.287 -0.167 0.000 0.916 236 K CB 1.249 33.715 32.500 -0.056 0.000 1.039 236 K HN 0.391 nan 8.250 nan 0.000 0.455 237 F N 0.705 120.670 119.950 0.025 0.000 2.576 237 F HA 0.395 4.922 4.527 0.000 0.000 0.313 237 F C -0.174 175.616 175.800 -0.017 0.000 1.078 237 F CA -0.871 57.115 58.000 -0.023 0.000 0.921 237 F CB 1.988 40.915 39.000 -0.122 0.000 1.232 237 F HN 0.125 nan 8.300 nan 0.000 0.459 238 K N 3.941 124.442 120.400 0.170 0.000 2.579 238 K HA 0.487 4.807 4.320 0.000 0.000 0.225 238 K C -1.109 175.533 176.600 0.071 0.000 0.992 238 K CA -0.261 56.078 56.287 0.085 0.000 1.018 238 K CB 1.081 33.607 32.500 0.044 0.000 1.249 238 K HN 0.496 nan 8.250 nan 0.000 0.489 239 L N 1.670 122.921 121.223 0.047 0.000 2.439 239 L HA 0.270 4.610 4.340 0.000 0.000 0.259 239 L C 0.539 177.376 176.870 -0.055 0.000 1.129 239 L CA -0.733 54.103 54.840 -0.007 0.000 0.803 239 L CB 0.396 42.435 42.059 -0.034 0.000 1.161 239 L HN 0.685 nan 8.230 nan 0.000 0.462 240 N N 0.328 118.962 118.700 -0.110 0.000 2.725 240 N HA -0.148 4.592 4.740 0.000 0.000 0.251 240 N C -0.685 174.691 175.510 -0.223 0.000 1.031 240 N CA 0.830 53.751 53.050 -0.215 0.000 0.720 240 N CB -1.160 37.237 38.487 -0.150 0.000 0.930 240 N HN 0.700 nan 8.380 nan 0.000 0.543 241 T N 0.218 114.659 114.554 -0.188 0.000 2.916 241 T HA 0.460 4.810 4.350 0.000 0.000 0.298 241 T C 0.149 174.833 174.700 -0.026 0.000 1.031 241 T CA -0.954 61.086 62.100 -0.101 0.000 0.993 241 T CB 2.487 71.341 68.868 -0.025 0.000 1.045 241 T HN 0.254 nan 8.240 nan 0.000 0.454 242 K N 0.736 121.161 120.400 0.040 0.000 2.208 242 K HA 0.833 5.153 4.320 0.000 0.000 0.247 242 K C -1.114 175.583 176.600 0.161 0.000 0.953 242 K CA -0.935 55.483 56.287 0.219 0.000 0.837 242 K CB 1.580 34.266 32.500 0.311 0.000 1.131 242 K HN 0.241 nan 8.250 nan 0.000 0.431 243 V N 2.152 122.190 119.914 0.207 0.000 2.427 243 V HA 0.150 4.270 4.120 0.000 0.000 0.286 243 V C 0.866 177.099 176.094 0.232 0.000 1.034 243 V CA -0.341 62.028 62.300 0.114 0.000 0.893 243 V CB 1.336 33.086 31.823 -0.121 0.000 0.982 243 V HN 1.117 nan 8.190 nan 0.000 0.452 244 T N 0.162 114.806 114.554 0.151 0.000 3.023 244 T HA 0.552 4.902 4.350 0.000 0.000 0.253 244 T C 0.576 175.370 174.700 0.156 0.000 1.038 244 T CA 0.351 62.548 62.100 0.162 0.000 0.962 244 T CB 0.483 69.412 68.868 0.103 0.000 1.018 244 T HN 1.264 nan 8.240 nan 0.000 0.521 245 G N -0.064 108.814 108.800 0.130 0.000 2.328 245 G HA2 0.573 4.534 3.960 0.000 0.000 0.299 245 G HA3 0.573 4.534 3.960 0.000 0.000 0.299 245 G C -1.925 172.998 174.900 0.039 0.000 1.435 245 G CA -0.377 44.788 45.100 0.109 0.000 0.865 245 G HN 0.791 nan 8.290 nan 0.000 0.601 246 A N -0.593 122.246 122.820 0.032 0.000 2.549 246 A HA 0.971 5.291 4.320 0.000 0.000 0.297 246 A C -0.489 177.099 177.584 0.007 0.000 1.061 246 A CA -0.254 51.782 52.037 -0.002 0.000 0.690 246 A CB 2.041 21.022 19.000 -0.031 0.000 1.287 246 A HN 1.428 nan 8.150 nan 0.000 0.402 247 T N 1.861 116.413 114.554 -0.004 0.000 2.921 247 T HA 0.397 4.747 4.350 0.000 0.000 0.297 247 T C -0.642 174.052 174.700 -0.010 0.000 1.013 247 T CA -0.590 61.509 62.100 -0.001 0.000 0.990 247 T CB 1.381 70.249 68.868 0.001 0.000 1.023 247 T HN 0.598 nan 8.240 nan 0.000 0.447 248 K N 2.617 123.012 120.400 -0.009 0.000 2.218 248 K HA 0.424 4.744 4.320 0.000 0.000 0.276 248 K C 0.203 176.795 176.600 -0.014 0.000 1.022 248 K CA -0.828 55.450 56.287 -0.015 0.000 0.946 248 K CB 0.781 33.272 32.500 -0.014 0.000 1.000 248 K HN 0.287 nan 8.250 nan 0.000 0.468 249 K N 0.535 120.925 120.400 -0.018 0.000 2.168 249 K HA 0.125 4.445 4.320 0.000 0.000 0.239 249 K C 1.287 177.877 176.600 -0.016 0.000 0.999 249 K CA -0.332 55.946 56.287 -0.016 0.000 0.900 249 K CB 1.495 33.984 32.500 -0.018 0.000 1.111 249 K HN 0.697 nan 8.250 nan 0.000 0.452 250 S N 0.150 115.842 115.700 -0.013 0.000 2.402 250 S HA -0.195 4.275 4.470 0.000 0.000 0.233 250 S C 0.970 175.561 174.600 -0.015 0.000 1.030 250 S CA 1.832 60.024 58.200 -0.012 0.000 1.003 250 S CB -0.354 62.840 63.200 -0.010 0.000 0.813 250 S HN 0.705 nan 8.310 nan 0.000 0.477 251 D N -0.015 120.374 120.400 -0.018 0.000 2.342 251 D HA 0.308 4.948 4.640 0.000 0.000 0.221 251 D C 1.345 177.630 176.300 -0.026 0.000 1.101 251 D CA 0.466 54.454 54.000 -0.020 0.000 0.837 251 D CB -0.365 40.423 40.800 -0.020 0.000 0.938 251 D HN 0.595 nan 8.370 nan 0.000 0.508 252 G N 0.301 109.086 108.800 -0.026 0.000 2.217 252 G HA2 -0.311 3.649 3.960 0.000 0.000 0.246 252 G HA3 -0.311 3.649 3.960 0.000 0.000 0.246 252 G C 0.431 175.308 174.900 -0.039 0.000 0.990 252 G CA 0.245 45.325 45.100 -0.032 0.000 0.627 252 G HN 0.473 nan 8.290 nan 0.000 0.522 253 K N -0.185 120.192 120.400 -0.037 0.000 2.136 253 K HA 0.667 4.987 4.320 0.000 0.000 0.237 253 K C 0.195 176.772 176.600 -0.039 0.000 1.048 253 K CA 0.008 56.270 56.287 -0.042 0.000 0.880 253 K CB 0.653 33.130 32.500 -0.038 0.000 1.105 253 K HN 0.272 nan 8.250 nan 0.000 0.507 254 I N 0.933 121.477 120.570 -0.043 0.000 2.533 254 I HA 0.141 4.311 4.170 0.000 0.000 0.290 254 I C -1.190 174.905 176.117 -0.037 0.000 1.056 254 I CA -0.834 60.443 61.300 -0.040 0.000 1.057 254 I CB 2.101 40.072 38.000 -0.049 0.000 1.240 254 I HN 0.386 nan 8.210 nan 0.000 0.423 255 D N 5.596 125.979 120.400 -0.028 0.000 2.329 255 D HA 0.385 5.025 4.640 0.000 0.000 0.232 255 D C -0.618 175.667 176.300 -0.024 0.000 1.088 255 D CA -0.037 53.948 54.000 -0.024 0.000 0.835 255 D CB 2.105 42.896 40.800 -0.015 0.000 1.078 255 D HN 0.022 nan 8.370 nan 0.000 0.495 256 V N 2.553 122.449 119.914 -0.031 0.000 2.347 256 V HA 0.366 4.486 4.120 0.000 0.000 0.280 256 V C 0.202 176.284 176.094 -0.020 0.000 1.021 256 V CA -0.803 61.475 62.300 -0.036 0.000 0.847 256 V CB 1.250 33.038 31.823 -0.059 0.000 0.990 256 V HN 0.585 nan 8.190 nan 0.000 0.444 257 S N 6.323 122.020 115.700 -0.005 0.000 2.508 257 S HA 0.882 5.352 4.470 0.000 0.000 0.284 257 S C -0.419 174.192 174.600 0.019 0.000 1.192 257 S CA -0.649 57.556 58.200 0.009 0.000 1.070 257 S CB 1.594 64.805 63.200 0.019 0.000 1.004 257 S HN 0.749 nan 8.310 nan 0.000 0.493 258 I N -1.446 119.135 120.570 0.018 0.000 3.145 258 I HA 0.805 4.975 4.170 0.000 0.000 0.313 258 I C -0.894 175.238 176.117 0.026 0.000 1.122 258 I CA -1.149 60.167 61.300 0.027 0.000 0.987 258 I CB 2.274 40.282 38.000 0.012 0.000 1.236 258 I HN 0.619 nan 8.210 nan 0.000 0.453 259 E N 0.975 121.192 120.200 0.029 0.000 2.437 259 E HA 0.596 4.946 4.350 0.000 0.000 0.280 259 E C -1.262 175.334 176.600 -0.007 0.000 1.044 259 E CA -1.178 55.231 56.400 0.016 0.000 0.826 259 E CB 2.236 31.954 29.700 0.030 0.000 1.358 259 E HN 0.872 nan 8.360 nan 0.000 0.459 260 A N 0.590 123.396 122.820 -0.024 0.000 2.425 260 A HA 0.432 4.752 4.320 0.000 0.000 0.242 260 A C 1.129 178.653 177.584 -0.101 0.000 1.077 260 A CA 0.735 52.733 52.037 -0.064 0.000 0.781 260 A CB 0.357 19.325 19.000 -0.053 0.000 1.020 260 A HN 0.741 nan 8.150 nan 0.000 0.494 261 A N 1.301 123.981 122.820 -0.234 0.000 1.940 261 A HA -0.105 4.215 4.320 0.000 0.000 0.219 261 A C 2.173 179.658 177.584 -0.165 0.000 1.176 261 A CA 2.369 54.155 52.037 -0.419 0.000 0.631 261 A CB -0.982 17.430 19.000 -0.980 0.000 0.814 261 A HN 1.756 nan 8.150 nan 0.000 0.446 262 S N -1.264 114.367 115.700 -0.115 0.000 2.650 262 S HA 0.429 4.900 4.470 0.000 0.000 0.219 262 S C 0.908 175.506 174.600 -0.004 0.000 0.960 262 S CA 0.640 58.820 58.200 -0.034 0.000 0.925 262 S CB -1.088 62.092 63.200 -0.034 0.000 0.775 262 S HN 2.090 nan 8.310 nan 0.000 0.525 263 G N -0.716 108.083 108.800 -0.002 0.000 2.719 263 G HA2 0.452 4.412 3.960 0.000 0.000 0.686 263 G HA3 0.452 4.412 3.960 0.000 0.000 0.686 263 G C 0.162 175.064 174.900 0.004 0.000 1.201 263 G CA -0.586 44.522 45.100 0.014 0.000 0.768 263 G HN 1.970 nan 8.290 nan 0.000 0.629 264 G N 0.560 109.366 108.800 0.009 0.000 2.685 264 G HA2 0.387 4.347 3.960 0.000 0.000 0.387 264 G HA3 0.387 4.347 3.960 0.000 0.000 0.387 264 G C 0.267 175.168 174.900 0.002 0.000 1.324 264 G CA 0.494 45.597 45.100 0.005 0.000 0.878 264 G HN 2.238 nan 8.290 nan 0.000 0.527 265 K N -1.830 118.571 120.400 0.001 0.000 3.156 265 K HA 0.005 4.325 4.320 0.000 0.000 0.266 265 K C 0.858 177.459 176.600 0.003 0.000 0.966 265 K CA 1.775 58.062 56.287 -0.001 0.000 0.719 265 K CB -1.624 30.872 32.500 -0.007 0.000 1.333 265 K HN 2.123 nan 8.250 nan 0.000 0.468 266 A N 1.537 124.361 122.820 0.007 0.000 2.477 266 A HA 0.408 4.728 4.320 0.000 0.000 0.246 266 A C 0.514 178.102 177.584 0.007 0.000 1.078 266 A CA 0.588 52.631 52.037 0.010 0.000 0.770 266 A CB 0.179 19.187 19.000 0.014 0.000 1.011 266 A HN 0.440 nan 8.150 nan 0.000 0.494 267 E N 0.379 120.583 120.200 0.007 0.000 2.445 267 E HA 0.660 5.010 4.350 0.000 0.000 0.279 267 E C -1.732 174.869 176.600 0.002 0.000 1.018 267 E CA -1.005 55.397 56.400 0.003 0.000 0.816 267 E CB 1.572 31.273 29.700 0.001 0.000 1.356 267 E HN 0.306 nan 8.360 nan 0.000 0.462 268 V N 1.558 121.471 119.914 -0.002 0.000 2.604 268 V HA 0.540 4.660 4.120 0.000 0.000 0.305 268 V C -0.237 175.851 176.094 -0.011 0.000 1.043 268 V CA -0.725 61.571 62.300 -0.005 0.000 0.888 268 V CB 1.430 33.251 31.823 -0.005 0.000 0.995 268 V HN 0.665 nan 8.190 nan 0.000 0.429 269 I N 0.587 121.147 120.570 -0.017 0.000 2.499 269 I HA 0.685 4.855 4.170 0.000 0.000 0.288 269 I C -0.366 175.734 176.117 -0.029 0.000 1.048 269 I CA -0.323 60.964 61.300 -0.022 0.000 1.062 269 I CB 2.198 40.183 38.000 -0.025 0.000 1.238 269 I HN 0.423 nan 8.210 nan 0.000 0.426 270 T N 5.289 119.825 114.554 -0.030 0.000 2.875 270 T HA 0.626 4.976 4.350 0.000 0.000 0.284 270 T C -0.138 174.535 174.700 -0.045 0.000 0.995 270 T CA -0.373 61.706 62.100 -0.035 0.000 1.060 270 T CB 1.212 70.063 68.868 -0.029 0.000 0.967 270 T HN 0.917 nan 8.240 nan 0.000 0.476 271 C N 0.955 120.223 119.300 -0.053 0.000 3.291 271 C HA 0.593 5.053 4.460 0.000 0.000 0.316 271 C C 0.745 175.691 174.990 -0.074 0.000 1.391 271 C CA -0.833 58.145 59.018 -0.067 0.000 1.394 271 C CB 1.166 28.859 27.740 -0.078 0.000 1.744 271 C HN 0.821 nan 8.230 nan 0.000 0.461 272 D N 0.084 120.431 120.400 -0.090 0.000 2.240 272 D HA 0.131 4.771 4.640 0.000 0.000 0.206 272 D C 0.185 176.414 176.300 -0.118 0.000 0.963 272 D CA 1.398 55.339 54.000 -0.098 0.000 0.863 272 D CB 0.736 41.472 40.800 -0.107 0.000 0.973 272 D HN 0.441 nan 8.370 nan 0.000 0.501 273 V N 1.622 121.452 119.914 -0.139 0.000 2.760 273 V HA 0.271 4.391 4.120 0.000 0.000 0.309 273 V C -1.016 174.997 176.094 -0.136 0.000 1.077 273 V CA -0.940 61.265 62.300 -0.158 0.000 0.910 273 V CB 2.882 34.559 31.823 -0.242 0.000 1.008 273 V HN -0.063 nan 8.190 nan 0.000 0.424 274 L N 5.819 126.975 121.223 -0.113 0.000 2.305 274 L HA 0.725 5.065 4.340 0.000 0.000 0.284 274 L C -0.992 175.826 176.870 -0.086 0.000 1.013 274 L CA -0.377 54.405 54.840 -0.096 0.000 0.819 274 L CB 1.381 43.388 42.059 -0.086 0.000 1.227 274 L HN 0.649 nan 8.230 nan 0.000 0.417 275 L N 6.798 127.977 121.223 -0.073 0.000 2.265 275 L HA 0.600 4.940 4.340 0.000 0.000 0.289 275 L C -1.078 175.777 176.870 -0.025 0.000 1.033 275 L CA -0.166 54.649 54.840 -0.041 0.000 0.814 275 L CB 1.515 43.564 42.059 -0.016 0.000 1.203 275 L HN 0.406 nan 8.230 nan 0.000 0.423 276 V N 5.166 125.073 119.914 -0.011 0.000 2.333 276 V HA 0.339 4.459 4.120 0.000 0.000 0.274 276 V C -0.048 176.076 176.094 0.050 0.000 1.028 276 V CA -0.358 61.942 62.300 0.001 0.000 0.851 276 V CB 0.812 32.644 31.823 0.016 0.000 1.000 276 V HN 0.997 nan 8.190 nan 0.000 0.456 277 C N 3.599 122.939 119.300 0.067 0.000 3.421 277 C HA 0.434 4.894 4.460 0.000 0.000 0.194 277 C C 1.255 176.312 174.990 0.112 0.000 1.418 277 C CA -0.816 58.258 59.018 0.093 0.000 1.226 277 C CB -1.491 26.307 27.740 0.097 0.000 1.875 277 C HN 0.855 nan 8.230 nan 0.000 0.561 278 I N -0.113 120.539 120.570 0.136 0.000 2.676 278 I HA 0.522 4.692 4.170 0.000 0.000 0.259 278 I C 0.991 177.180 176.117 0.121 0.000 1.194 278 I CA 1.290 62.682 61.300 0.154 0.000 1.473 278 I CB -0.193 37.948 38.000 0.235 0.000 1.096 278 I HN 0.748 nan 8.210 nan 0.000 0.443 279 G N 0.636 109.501 108.800 0.109 0.000 2.327 279 G HA2 0.452 4.412 3.960 0.000 0.000 0.291 279 G HA3 0.452 4.412 3.960 0.000 0.000 0.291 279 G C -1.491 173.459 174.900 0.082 0.000 1.290 279 G CA -1.067 44.088 45.100 0.092 0.000 0.857 279 G HN 0.144 nan 8.290 nan 0.000 0.520 280 R N -0.541 120.003 120.500 0.074 0.000 2.771 280 R HA 0.762 5.102 4.340 0.000 0.000 0.274 280 R C -0.329 176.012 176.300 0.067 0.000 0.987 280 R CA -0.983 55.159 56.100 0.069 0.000 0.908 280 R CB 2.691 33.030 30.300 0.064 0.000 1.213 280 R HN 0.871 nan 8.270 nan 0.000 0.468 281 R N 0.271 120.816 120.500 0.076 0.000 2.774 281 R HA 0.527 4.867 4.340 0.000 0.000 0.272 281 R C -3.059 173.304 176.300 0.105 0.000 1.000 281 R CA -2.304 53.843 56.100 0.078 0.000 0.906 281 R CB 1.527 31.870 30.300 0.071 0.000 1.227 281 R HN 0.228 nan 8.270 nan 0.000 0.468 282 P HA -0.074 nan 4.420 nan 0.000 0.262 282 P C -1.341 176.059 177.300 0.166 0.000 1.182 282 P CA 0.285 63.452 63.100 0.111 0.000 0.761 282 P CB 0.107 31.847 31.700 0.066 0.000 0.795 283 F N 3.897 123.865 119.950 0.029 0.000 2.411 283 F HA 0.434 4.961 4.527 0.000 0.000 0.352 283 F C 0.577 176.399 175.800 0.037 0.000 1.123 283 F CA -0.036 57.985 58.000 0.034 0.000 1.044 283 F CB 1.117 40.133 39.000 0.028 0.000 1.135 283 F HN 0.294 nan 8.300 nan 0.000 0.461 284 T N 1.086 115.346 114.554 -0.489 0.000 3.403 284 T HA 0.199 4.549 4.350 0.000 0.000 0.308 284 T C 0.022 174.463 174.700 -0.431 0.000 0.952 284 T CA -0.615 61.283 62.100 -0.338 0.000 0.970 284 T CB -0.397 68.391 68.868 -0.134 0.000 1.189 284 T HN 0.365 nan 8.240 nan 0.000 0.528 285 K N 3.026 122.918 120.400 -0.846 0.000 2.491 285 K HA 0.086 4.406 4.320 0.000 0.000 0.279 285 K C 0.412 176.948 176.600 -0.107 0.000 1.026 285 K CA 0.582 56.597 56.287 -0.453 0.000 1.070 285 K CB -0.643 31.569 32.500 -0.481 0.000 0.887 285 K HN 0.471 nan 8.250 nan 0.000 0.481 286 N N 2.366 121.027 118.700 -0.064 0.000 2.707 286 N HA -0.256 4.484 4.740 0.000 0.000 0.253 286 N C -0.002 175.560 175.510 0.087 0.000 0.998 286 N CA 0.243 53.284 53.050 -0.014 0.000 0.751 286 N CB -0.481 37.943 38.487 -0.105 0.000 0.920 286 N HN 0.365 nan 8.380 nan 0.000 0.539 287 L N -0.539 120.714 121.223 0.050 0.000 2.446 287 L HA 0.216 4.556 4.340 0.000 0.000 0.219 287 L C 1.619 178.515 176.870 0.043 0.000 1.116 287 L CA 1.827 56.708 54.840 0.068 0.000 0.844 287 L CB -0.165 41.904 42.059 0.017 0.000 0.970 287 L HN 0.468 nan 8.230 nan 0.000 0.457 288 G N -1.205 107.605 108.800 0.017 0.000 2.141 288 G HA2 -0.281 3.679 3.960 0.000 0.000 0.231 288 G HA3 -0.281 3.679 3.960 0.000 0.000 0.231 288 G C 0.984 175.884 174.900 0.001 0.000 0.984 288 G CA 0.468 45.573 45.100 0.008 0.000 0.660 288 G HN 0.367 nan 8.290 nan 0.000 0.525 289 L N -0.559 120.660 121.223 -0.005 0.000 2.131 289 L HA -0.016 4.324 4.340 0.000 0.000 0.210 289 L C 2.645 179.508 176.870 -0.013 0.000 1.092 289 L CA 1.811 56.645 54.840 -0.009 0.000 0.759 289 L CB -0.288 41.762 42.059 -0.014 0.000 0.903 289 L HN 0.340 nan 8.230 nan 0.000 0.435 290 E N 1.382 121.573 120.200 -0.016 0.000 2.006 290 E HA -0.217 4.133 4.350 0.000 0.000 0.192 290 E C 1.697 178.289 176.600 -0.013 0.000 0.993 290 E CA 1.501 57.891 56.400 -0.016 0.000 0.808 290 E CB -0.091 29.597 29.700 -0.019 0.000 0.764 290 E HN 0.416 nan 8.360 nan 0.000 0.449 291 E N -0.153 120.040 120.200 -0.011 0.000 2.526 291 E HA -0.082 4.268 4.350 0.000 0.000 0.205 291 E C 1.047 177.642 176.600 -0.008 0.000 1.104 291 E CA 0.463 56.858 56.400 -0.009 0.000 0.899 291 E CB -0.155 29.540 29.700 -0.008 0.000 0.838 291 E HN 0.328 nan 8.360 nan 0.000 0.564 292 L N -1.681 119.537 121.223 -0.009 0.000 2.966 292 L HA 0.336 4.676 4.340 0.000 0.000 0.262 292 L C 1.241 178.104 176.870 -0.012 0.000 1.165 292 L CA 0.111 54.946 54.840 -0.009 0.000 0.978 292 L CB 0.480 42.535 42.059 -0.006 0.000 1.337 292 L HN 0.285 nan 8.230 nan 0.000 0.563 293 G N 1.577 110.369 108.800 -0.013 0.000 2.136 293 G HA2 -0.271 3.689 3.960 0.000 0.000 0.242 293 G HA3 -0.271 3.689 3.960 0.000 0.000 0.242 293 G C 0.155 175.045 174.900 -0.016 0.000 0.989 293 G CA -0.133 44.958 45.100 -0.015 0.000 0.682 293 G HN 0.291 nan 8.290 nan 0.000 0.522 294 I N 1.414 121.975 120.570 -0.016 0.000 2.301 294 I HA 0.307 4.477 4.170 0.000 0.000 0.292 294 I C 0.378 176.486 176.117 -0.016 0.000 1.046 294 I CA -0.268 61.023 61.300 -0.016 0.000 1.282 294 I CB 0.757 38.749 38.000 -0.013 0.000 1.409 294 I HN 0.135 nan 8.210 nan 0.000 0.484 295 E N 6.630 126.820 120.200 -0.016 0.000 2.191 295 E HA 0.508 4.858 4.350 0.000 0.000 0.278 295 E C -0.690 175.901 176.600 -0.014 0.000 0.972 295 E CA -0.748 55.643 56.400 -0.016 0.000 0.804 295 E CB 2.046 31.737 29.700 -0.016 0.000 1.110 295 E HN 0.461 nan 8.360 nan 0.000 0.394 296 L N 2.177 123.391 121.223 -0.014 0.000 2.468 296 L HA 0.188 4.528 4.340 0.000 0.000 0.254 296 L C 0.656 177.520 176.870 -0.011 0.000 1.171 296 L CA -0.724 54.109 54.840 -0.011 0.000 0.809 296 L CB 0.217 42.268 42.059 -0.013 0.000 1.155 296 L HN 0.630 nan 8.230 nan 0.000 0.473 297 D N 0.333 120.728 120.400 -0.009 0.000 2.451 297 D HA 0.158 4.798 4.640 0.000 0.000 0.259 297 D C -1.890 174.404 176.300 -0.009 0.000 1.201 297 D CA -1.776 52.218 54.000 -0.010 0.000 1.028 297 D CB -0.262 40.532 40.800 -0.010 0.000 1.095 297 D HN 0.216 nan 8.370 nan 0.000 0.539 298 P HA -0.136 nan 4.420 nan 0.000 0.218 298 P C 0.952 178.247 177.300 -0.008 0.000 1.148 298 P CA 1.003 64.096 63.100 -0.010 0.000 0.822 298 P CB 0.166 31.859 31.700 -0.011 0.000 0.784 299 R N -1.137 119.360 120.500 -0.005 0.000 2.307 299 R HA 0.127 4.467 4.340 0.000 0.000 0.199 299 R C 1.686 177.990 176.300 0.006 0.000 1.000 299 R CA 0.941 57.042 56.100 0.001 0.000 1.023 299 R CB -0.930 29.372 30.300 0.003 0.000 0.908 299 R HN 0.325 nan 8.270 nan 0.000 0.473 300 G N 1.405 110.206 108.800 0.002 0.000 2.175 300 G HA2 -0.309 3.651 3.960 0.000 0.000 0.244 300 G HA3 -0.309 3.651 3.960 0.000 0.000 0.244 300 G C 0.199 175.104 174.900 0.009 0.000 0.982 300 G CA 0.138 45.240 45.100 0.003 0.000 0.641 300 G HN 0.285 nan 8.290 nan 0.000 0.527 301 R N -0.463 120.044 120.500 0.011 0.000 2.577 301 R HA 0.699 5.039 4.340 0.000 0.000 0.269 301 R C 0.729 177.037 176.300 0.013 0.000 1.084 301 R CA -0.422 55.689 56.100 0.018 0.000 1.163 301 R CB 0.574 30.884 30.300 0.017 0.000 1.100 301 R HN 0.260 nan 8.270 nan 0.000 0.547 302 I N 3.448 124.033 120.570 0.024 0.000 2.304 302 I HA 0.257 4.427 4.170 0.000 0.000 0.291 302 I C -2.028 174.102 176.117 0.021 0.000 1.018 302 I CA -2.232 59.081 61.300 0.022 0.000 1.260 302 I CB 1.533 39.554 38.000 0.036 0.000 1.390 302 I HN 0.275 nan 8.210 nan 0.000 0.475 303 P HA 0.187 nan 4.420 nan 0.000 0.271 303 P C -0.904 176.388 177.300 -0.012 0.000 1.216 303 P CA -0.133 62.961 63.100 -0.010 0.000 0.771 303 P CB 0.927 32.616 31.700 -0.019 0.000 0.864 304 V N -0.353 119.546 119.914 -0.026 0.000 3.188 304 V HA 0.654 4.774 4.120 0.000 0.000 0.305 304 V C -0.536 175.495 176.094 -0.105 0.000 1.232 304 V CA -1.188 61.086 62.300 -0.044 0.000 1.043 304 V CB 1.936 33.774 31.823 0.025 0.000 1.068 304 V HN 0.547 nan 8.190 nan 0.000 0.439 305 N N -0.050 118.573 118.700 -0.128 0.000 2.431 305 N HA 0.319 5.059 4.740 0.000 0.000 0.289 305 N C 1.071 176.420 175.510 -0.268 0.000 1.277 305 N CA 0.175 53.137 53.050 -0.147 0.000 0.972 305 N CB -0.239 38.188 38.487 -0.101 0.000 1.143 305 N HN 0.990 nan 8.380 nan 0.000 0.578 306 T N -3.760 110.669 114.554 -0.208 0.000 3.155 306 T HA 0.024 4.374 4.350 0.000 0.000 0.264 306 T C 0.818 175.349 174.700 -0.281 0.000 1.160 306 T CA 0.642 62.585 62.100 -0.262 0.000 1.075 306 T CB -0.424 68.398 68.868 -0.078 0.000 0.921 306 T HN 0.495 nan 8.240 nan 0.000 0.533 307 R N -0.524 119.881 120.500 -0.159 0.000 2.472 307 R HA 0.378 4.718 4.340 0.000 0.000 0.279 307 R C -0.304 176.215 176.300 0.365 0.000 0.953 307 R CA -0.335 55.843 56.100 0.131 0.000 1.088 307 R CB -0.006 30.404 30.300 0.184 0.000 1.197 307 R HN 0.355 nan 8.270 nan 0.000 0.536 308 F N 0.676 120.729 119.950 0.171 0.000 3.018 308 F HA -0.278 4.249 4.527 0.000 0.000 0.287 308 F C -0.049 175.835 175.800 0.140 0.000 0.813 308 F CA 0.609 58.723 58.000 0.189 0.000 1.209 308 F CB -2.069 37.070 39.000 0.232 0.000 1.321 308 F HN 0.150 nan 8.300 nan 0.000 0.477 309 Q N 0.288 120.077 119.800 -0.018 0.000 2.259 309 Q HA 0.507 4.847 4.340 0.000 0.000 0.249 309 Q C 0.950 176.844 176.000 -0.177 0.000 0.914 309 Q CA 0.120 55.706 55.803 -0.362 0.000 0.904 309 Q CB 1.673 30.155 28.738 -0.427 0.000 1.213 309 Q HN 0.379 nan 8.270 nan 0.000 0.428 310 T N -1.467 112.981 114.554 -0.177 0.000 2.865 310 T HA 0.206 4.556 4.350 0.000 0.000 0.302 310 T C 1.015 175.653 174.700 -0.103 0.000 1.078 310 T CA -0.549 61.496 62.100 -0.091 0.000 0.942 310 T CB 0.665 69.499 68.868 -0.057 0.000 1.387 310 T HN 0.488 nan 8.240 nan 0.000 0.557 311 K N -0.466 119.893 120.400 -0.069 0.000 2.009 311 K HA -0.003 4.317 4.320 0.000 0.000 0.210 311 K C 0.732 177.288 176.600 -0.072 0.000 1.049 311 K CA 1.014 57.264 56.287 -0.061 0.000 0.929 311 K CB -0.346 32.129 32.500 -0.042 0.000 0.714 311 K HN 0.462 nan 8.250 nan 0.000 0.440 312 I N 3.643 124.171 120.570 -0.070 0.000 2.389 312 I HA -0.009 4.161 4.170 0.000 0.000 0.295 312 I C -1.577 174.468 176.117 -0.119 0.000 1.117 312 I CA -1.977 59.281 61.300 -0.070 0.000 1.317 312 I CB 0.025 37.995 38.000 -0.049 0.000 1.431 312 I HN 0.051 nan 8.210 nan 0.000 0.521 313 P HA -0.200 nan 4.420 nan 0.000 0.221 313 P C 0.722 177.873 177.300 -0.248 0.000 1.141 313 P CA 1.420 64.406 63.100 -0.190 0.000 0.794 313 P CB 0.119 31.754 31.700 -0.109 0.000 0.764 314 N N -0.593 118.025 118.700 -0.136 0.000 2.236 314 N HA 0.050 4.790 4.740 0.000 0.000 0.196 314 N C 0.238 175.758 175.510 0.016 0.000 1.114 314 N CA -0.171 52.860 53.050 -0.031 0.000 0.859 314 N CB -0.018 38.484 38.487 0.025 0.000 0.982 314 N HN 0.200 nan 8.380 nan 0.000 0.493 315 I N 1.659 122.165 120.570 -0.105 0.000 2.362 315 I HA 0.307 4.478 4.170 0.000 0.000 0.289 315 I C -0.799 175.273 176.117 -0.076 0.000 0.994 315 I CA -0.854 60.448 61.300 0.004 0.000 1.158 315 I CB 0.758 38.754 38.000 -0.005 0.000 1.315 315 I HN -0.163 nan 8.210 nan 0.000 0.451 316 Y N 4.359 124.670 120.300 0.019 0.000 2.596 316 Y HA 0.830 5.380 4.550 0.000 0.000 0.326 316 Y C 0.326 176.263 175.900 0.061 0.000 1.167 316 Y CA -1.128 57.006 58.100 0.057 0.000 1.246 316 Y CB 1.526 40.026 38.460 0.067 0.000 1.347 316 Y HN 0.536 nan 8.280 nan 0.000 0.515 317 A N 1.036 124.029 122.820 0.288 0.000 2.517 317 A HA 0.826 5.147 4.320 0.000 0.000 0.297 317 A C -1.515 176.202 177.584 0.220 0.000 1.050 317 A CA -0.518 51.634 52.037 0.191 0.000 0.694 317 A CB 0.889 19.974 19.000 0.141 0.000 1.277 317 A HN 0.723 nan 8.150 nan 0.000 0.400 318 I N -1.270 119.361 120.570 0.100 0.000 3.195 318 I HA 0.977 5.147 4.170 0.000 0.000 0.313 318 I C 0.581 176.710 176.117 0.021 0.000 1.237 318 I CA 0.084 61.394 61.300 0.018 0.000 0.963 318 I CB 1.575 39.439 38.000 -0.228 0.000 1.278 318 I HN 2.228 nan 8.210 nan 0.000 0.460 319 G N 1.912 110.718 108.800 0.011 0.000 2.525 319 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 319 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 319 G C 0.159 175.087 174.900 0.047 0.000 1.238 319 G CA 0.644 45.755 45.100 0.019 0.000 0.926 319 G HN 0.865 nan 8.290 nan 0.000 0.574 320 D N -0.480 119.945 120.400 0.041 0.000 2.309 320 D HA 0.064 4.704 4.640 0.000 0.000 0.212 320 D C 2.269 178.607 176.300 0.064 0.000 0.968 320 D CA 1.136 55.166 54.000 0.050 0.000 0.882 320 D CB 0.084 40.914 40.800 0.050 0.000 0.918 320 D HN 0.391 nan 8.370 nan 0.000 0.503 321 V N 0.176 120.133 119.914 0.071 0.000 3.623 321 V HA 0.037 4.157 4.120 0.000 0.000 0.271 321 V C 0.569 176.704 176.094 0.068 0.000 1.248 321 V CA 0.245 62.591 62.300 0.076 0.000 1.156 321 V CB 0.065 31.937 31.823 0.082 0.000 0.870 321 V HN 0.026 nan 8.190 nan 0.000 0.453 322 V N -2.638 117.321 119.914 0.074 0.000 3.155 322 V HA 0.946 5.066 4.120 0.000 0.000 0.313 322 V C 0.300 176.420 176.094 0.044 0.000 1.162 322 V CA -0.785 61.558 62.300 0.073 0.000 1.048 322 V CB 1.168 33.071 31.823 0.133 0.000 1.092 322 V HN 0.138 nan 8.190 nan 0.000 0.447 323 A N 0.321 123.148 122.820 0.012 0.000 2.433 323 A HA 0.656 4.976 4.320 0.000 0.000 0.250 323 A C 1.045 178.587 177.584 -0.071 0.000 1.113 323 A CA 0.811 52.826 52.037 -0.036 0.000 0.794 323 A CB -0.938 18.018 19.000 -0.073 0.000 1.067 323 A HN 3.089 nan 8.150 nan 0.000 0.510 324 G N -1.517 107.212 108.800 -0.118 0.000 2.712 324 G HA2 0.090 4.050 3.960 0.000 0.000 0.683 324 G HA3 0.090 4.050 3.960 0.000 0.000 0.683 324 G C -2.887 171.996 174.900 -0.029 0.000 1.320 324 G CA -0.486 44.520 45.100 -0.157 0.000 0.847 324 G HN 0.844 nan 8.290 nan 0.000 0.553 325 P HA 0.219 nan 4.420 nan 0.000 0.261 325 P C 0.561 177.865 177.300 0.006 0.000 1.183 325 P CA 0.480 63.596 63.100 0.027 0.000 0.761 325 P CB 0.226 31.946 31.700 0.033 0.000 0.785 326 M N 4.116 123.724 119.600 0.014 0.000 3.422 326 M HA 0.167 4.647 4.480 0.000 0.000 0.248 326 M C -0.334 175.958 176.300 -0.013 0.000 1.433 326 M CA 0.415 55.722 55.300 0.011 0.000 1.592 326 M CB -0.631 31.989 32.600 0.034 0.000 1.078 326 M HN 0.201 nan 8.290 nan 0.000 0.578 327 L N -0.471 120.703 121.223 -0.080 0.000 2.341 327 L HA 0.612 4.952 4.340 0.000 0.000 0.267 327 L C 1.167 177.946 176.870 -0.153 0.000 1.009 327 L CA -0.575 54.175 54.840 -0.150 0.000 0.819 327 L CB 1.822 43.645 42.059 -0.393 0.000 1.323 327 L HN 0.487 nan 8.230 nan 0.000 0.425 328 A N 0.851 123.650 122.820 -0.035 0.000 1.858 328 A HA -0.199 4.121 4.320 0.000 0.000 0.216 328 A C 2.027 179.616 177.584 0.009 0.000 1.190 328 A CA 1.799 53.850 52.037 0.023 0.000 0.617 328 A CB -0.866 18.189 19.000 0.092 0.000 0.827 328 A HN 0.954 nan 8.150 nan 0.000 0.443 329 H N -0.770 118.293 119.070 -0.013 0.000 2.456 329 H HA -0.068 4.488 4.556 0.000 0.000 0.296 329 H C 1.702 177.006 175.328 -0.039 0.000 1.079 329 H CA 1.461 57.489 56.048 -0.033 0.000 1.322 329 H CB -0.382 29.358 29.762 -0.037 0.000 1.388 329 H HN 0.450 nan 8.280 nan 0.000 0.538 330 K N 1.871 122.060 120.400 -0.351 0.000 2.025 330 K HA -0.004 4.316 4.320 0.000 0.000 0.207 330 K C 2.309 178.859 176.600 -0.084 0.000 1.049 330 K CA 1.249 57.427 56.287 -0.182 0.000 0.933 330 K CB -0.386 32.022 32.500 -0.153 0.000 0.714 330 K HN 0.313 nan 8.250 nan 0.000 0.438 331 A N 1.362 124.132 122.820 -0.083 0.000 1.972 331 A HA -0.146 4.174 4.320 0.000 0.000 0.219 331 A C 1.996 179.516 177.584 -0.108 0.000 1.169 331 A CA 1.531 53.526 52.037 -0.070 0.000 0.635 331 A CB -0.337 18.638 19.000 -0.042 0.000 0.810 331 A HN 0.506 nan 8.150 nan 0.000 0.446 332 E N -0.473 119.669 120.200 -0.096 0.000 2.046 332 E HA -0.169 4.181 4.350 0.000 0.000 0.190 332 E C 1.587 178.105 176.600 -0.137 0.000 0.982 332 E CA 1.130 57.455 56.400 -0.125 0.000 0.800 332 E CB -0.170 29.474 29.700 -0.093 0.000 0.756 332 E HN 0.580 nan 8.360 nan 0.000 0.449 333 D N 0.702 121.035 120.400 -0.112 0.000 2.092 333 D HA -0.166 4.474 4.640 0.000 0.000 0.193 333 D C 1.768 177.955 176.300 -0.188 0.000 0.994 333 D CA 1.205 55.129 54.000 -0.127 0.000 0.828 333 D CB 0.020 40.748 40.800 -0.120 0.000 0.963 333 D HN 0.157 nan 8.370 nan 0.000 0.450 334 E N -0.309 119.749 120.200 -0.235 0.000 2.058 334 E HA -0.154 4.197 4.350 0.000 0.000 0.194 334 E C 2.245 178.507 176.600 -0.564 0.000 0.997 334 E CA 1.099 57.192 56.400 -0.512 0.000 0.801 334 E CB -0.345 29.061 29.700 -0.489 0.000 0.746 334 E HN 0.343 nan 8.360 nan 0.000 0.450 335 G N 1.324 109.913 108.800 -0.352 0.000 2.450 335 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 335 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 335 G C 1.513 176.274 174.900 -0.232 0.000 1.130 335 G CA 0.512 45.444 45.100 -0.280 0.000 0.760 335 G HN 0.071 nan 8.290 nan 0.000 0.557 336 I N 1.618 122.070 120.570 -0.197 0.000 2.162 336 I HA -0.059 4.111 4.170 0.000 0.000 0.238 336 I C 2.887 178.938 176.117 -0.109 0.000 1.076 336 I CA 0.962 62.182 61.300 -0.133 0.000 1.353 336 I CB -1.108 36.829 38.000 -0.105 0.000 1.063 336 I HN 0.383 nan 8.210 nan 0.000 0.408 337 I N -0.915 119.588 120.570 -0.112 0.000 2.454 337 I HA -0.255 3.915 4.170 0.000 0.000 0.254 337 I C 2.910 179.021 176.117 -0.009 0.000 1.156 337 I CA 1.245 62.526 61.300 -0.031 0.000 1.433 337 I CB -0.711 37.309 38.000 0.034 0.000 1.082 337 I HN 0.239 nan 8.210 nan 0.000 0.432 338 C N 0.831 120.045 119.300 -0.142 0.000 2.453 338 C HA -0.062 4.398 4.460 0.000 0.000 0.277 338 C C 2.737 177.627 174.990 -0.167 0.000 1.262 338 C CA 1.179 60.132 59.018 -0.109 0.000 1.718 338 C CB -0.901 26.653 27.740 -0.310 0.000 2.031 338 C HN 0.498 nan 8.230 nan 0.000 0.480 339 V N 1.058 120.868 119.914 -0.173 0.000 2.427 339 V HA -0.160 3.960 4.120 0.000 0.000 0.248 339 V C 2.494 178.604 176.094 0.026 0.000 1.051 339 V CA 2.290 64.511 62.300 -0.131 0.000 1.048 339 V CB -0.790 30.986 31.823 -0.078 0.000 0.666 339 V HN 0.609 nan 8.190 nan 0.000 0.456 340 E N 0.369 120.585 120.200 0.026 0.000 2.150 340 E HA -0.140 4.210 4.350 0.000 0.000 0.193 340 E C 2.322 178.971 176.600 0.081 0.000 0.985 340 E CA 1.154 57.592 56.400 0.063 0.000 0.814 340 E CB -0.405 29.314 29.700 0.032 0.000 0.752 340 E HN 0.656 nan 8.360 nan 0.000 0.466 341 G N 1.219 110.058 108.800 0.065 0.000 2.408 341 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 341 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 341 G C 1.551 176.509 174.900 0.097 0.000 1.150 341 G CA 0.447 45.606 45.100 0.099 0.000 0.776 341 G HN 0.101 nan 8.290 nan 0.000 0.542 342 M N 0.715 120.325 119.600 0.016 0.000 2.358 342 M HA 0.029 4.509 4.480 0.000 0.000 0.264 342 M C 2.280 178.724 176.300 0.241 0.000 1.064 342 M CA 1.104 56.406 55.300 0.003 0.000 1.093 342 M CB 0.072 32.471 32.600 -0.336 0.000 1.401 342 M HN 0.294 nan 8.290 nan 0.000 0.440 343 A N -0.449 122.546 122.820 0.291 0.000 2.507 343 A HA 0.526 4.846 4.320 0.000 0.000 0.270 343 A C 1.385 179.041 177.584 0.119 0.000 1.318 343 A CA 0.403 52.592 52.037 0.254 0.000 0.924 343 A CB -0.534 18.555 19.000 0.148 0.000 1.061 343 A HN 0.613 nan 8.150 nan 0.000 0.516 344 G N -1.354 107.515 108.800 0.115 0.000 2.176 344 G HA2 -0.086 3.874 3.960 0.000 0.000 0.253 344 G HA3 -0.086 3.874 3.960 0.000 0.000 0.253 344 G C 0.799 175.739 174.900 0.067 0.000 0.979 344 G CA 0.259 45.408 45.100 0.081 0.000 0.641 344 G HN 1.429 nan 8.290 nan 0.000 0.530 345 G N 0.090 108.932 108.800 0.071 0.000 2.634 345 G HA2 0.702 4.662 3.960 0.000 0.000 0.255 345 G HA3 0.702 4.662 3.960 0.000 0.000 0.255 345 G C 0.754 175.696 174.900 0.069 0.000 1.205 345 G CA 0.525 45.660 45.100 0.058 0.000 0.884 345 G HN 1.517 nan 8.290 nan 0.000 0.549 346 A N -1.129 121.728 122.820 0.062 0.000 2.366 346 A HA 0.466 4.786 4.320 0.000 0.000 0.250 346 A C 1.137 178.781 177.584 0.099 0.000 1.099 346 A CA 0.569 52.651 52.037 0.076 0.000 0.794 346 A CB 0.654 19.695 19.000 0.068 0.000 1.056 346 A HN 1.803 nan 8.150 nan 0.000 0.499 347 V N -2.525 117.465 119.914 0.126 0.000 3.440 347 V HA 0.224 4.344 4.120 0.000 0.000 0.301 347 V C 0.307 176.499 176.094 0.164 0.000 1.555 347 V CA 0.515 62.913 62.300 0.164 0.000 1.095 347 V CB -1.424 30.519 31.823 0.200 0.000 0.936 347 V HN 0.979 nan 8.190 nan 0.000 0.452 348 H N 2.275 121.380 119.070 0.058 0.000 2.975 348 H HA 0.597 5.153 4.556 0.000 0.000 0.303 348 H C -0.485 174.855 175.328 0.020 0.000 1.023 348 H CA -0.002 56.069 56.048 0.038 0.000 1.473 348 H CB 0.783 30.557 29.762 0.019 0.000 1.498 348 H HN 0.531 nan 8.280 nan 0.000 0.549 349 I N 5.106 125.330 120.570 -0.577 0.000 2.447 349 I HA 0.188 4.358 4.170 0.000 0.000 0.287 349 I C -1.064 174.630 176.117 -0.705 0.000 1.023 349 I CA -0.899 60.031 61.300 -0.618 0.000 1.083 349 I CB 1.415 39.188 38.000 -0.379 0.000 1.245 349 I HN 0.661 nan 8.210 nan 0.000 0.434 350 D N 6.818 126.861 120.400 -0.595 0.000 2.402 350 D HA 0.089 4.729 4.640 0.000 0.000 0.235 350 D C 0.431 176.621 176.300 -0.184 0.000 1.226 350 D CA 0.098 53.961 54.000 -0.228 0.000 0.918 350 D CB 0.329 41.093 40.800 -0.060 0.000 1.043 350 D HN 0.453 nan 8.370 nan 0.000 0.506 351 Y N 2.355 122.649 120.300 -0.009 0.000 2.569 351 Y HA -0.116 4.434 4.550 0.000 0.000 0.293 351 Y C 2.043 177.962 175.900 0.031 0.000 1.144 351 Y CA 0.568 58.675 58.100 0.013 0.000 1.321 351 Y CB -0.290 38.185 38.460 0.025 0.000 0.982 351 Y HN 0.391 nan 8.280 nan 0.000 0.558 352 N N -0.863 117.927 118.700 0.150 0.000 2.515 352 N HA -0.083 4.657 4.740 0.000 0.000 0.185 352 N C 0.426 175.983 175.510 0.078 0.000 1.109 352 N CA 0.718 53.839 53.050 0.119 0.000 0.903 352 N CB -0.187 38.365 38.487 0.108 0.000 0.969 352 N HN 0.173 nan 8.380 nan 0.000 0.450 353 C N 0.061 119.385 119.300 0.040 0.000 2.881 353 C HA 0.421 4.881 4.460 0.000 0.000 0.290 353 C C 0.126 175.119 174.990 0.006 0.000 1.362 353 C CA -0.741 58.286 59.018 0.015 0.000 1.757 353 C CB -0.941 26.794 27.740 -0.007 0.000 2.265 353 C HN 0.036 nan 8.230 nan 0.000 0.600 354 V N 4.864 124.795 119.914 0.030 0.000 2.385 354 V HA 0.285 4.405 4.120 0.000 0.000 0.269 354 V C -1.712 174.411 176.094 0.049 0.000 1.043 354 V CA -0.935 61.402 62.300 0.061 0.000 0.906 354 V CB 1.092 32.952 31.823 0.061 0.000 0.995 354 V HN 0.306 nan 8.190 nan 0.000 0.467 355 P HA 0.366 nan 4.420 nan 0.000 0.276 355 P C -0.645 176.556 177.300 -0.165 0.000 1.252 355 P CA -0.400 62.620 63.100 -0.134 0.000 0.802 355 P CB 1.339 32.918 31.700 -0.202 0.000 1.035 356 S N -0.336 115.014 115.700 -0.585 0.000 2.536 356 S HA 0.608 5.078 4.470 0.000 0.000 0.298 356 S C -0.602 173.506 174.600 -0.819 0.000 1.083 356 S CA -0.578 57.157 58.200 -0.775 0.000 0.995 356 S CB 1.437 63.735 63.200 -1.503 0.000 1.058 356 S HN 0.272 nan 8.310 nan 0.000 0.488 357 V N 3.026 122.611 119.914 -0.548 0.000 2.808 357 V HA 0.524 4.644 4.120 0.000 0.000 0.308 357 V C -1.085 174.778 176.094 -0.385 0.000 1.099 357 V CA -0.574 61.405 62.300 -0.536 0.000 0.920 357 V CB 1.845 33.258 31.823 -0.683 0.000 1.014 357 V HN 0.819 nan 8.190 nan 0.000 0.425 358 I N 4.004 124.363 120.570 -0.352 0.000 2.382 358 I HA 0.355 4.525 4.170 0.000 0.000 0.286 358 I C -0.625 175.370 176.117 -0.205 0.000 1.002 358 I CA -0.479 60.753 61.300 -0.114 0.000 1.135 358 I CB 1.637 39.606 38.000 -0.052 0.000 1.288 358 I HN 0.640 nan 8.210 nan 0.000 0.448 359 Y N 4.005 124.301 120.300 -0.006 0.000 2.627 359 Y HA 0.038 4.588 4.550 0.000 0.000 0.339 359 Y C 1.684 177.590 175.900 0.010 0.000 1.137 359 Y CA -0.483 57.604 58.100 -0.021 0.000 1.361 359 Y CB -0.627 37.817 38.460 -0.027 0.000 1.180 359 Y HN 0.540 nan 8.280 nan 0.000 0.512 360 T N -2.853 111.796 114.554 0.158 0.000 2.753 360 T HA 0.154 4.504 4.350 0.000 0.000 0.309 360 T C -0.561 174.203 174.700 0.105 0.000 1.043 360 T CA -0.501 61.718 62.100 0.198 0.000 0.964 360 T CB 0.849 69.944 68.868 0.377 0.000 1.206 360 T HN 0.383 nan 8.240 nan 0.000 0.528 361 H N 1.190 120.285 119.070 0.042 0.000 3.013 361 H HA 0.427 4.983 4.556 0.000 0.000 0.326 361 H C -2.724 172.650 175.328 0.075 0.000 0.973 361 H CA -1.755 54.257 56.048 -0.060 0.000 1.369 361 H CB 1.261 30.845 29.762 -0.297 0.000 1.598 361 H HN 0.457 nan 8.280 nan 0.000 0.518 362 P HA 0.036 nan 4.420 nan 0.000 0.269 362 P C -0.455 176.736 177.300 -0.182 0.000 1.215 362 P CA -0.111 62.785 63.100 -0.340 0.000 0.780 362 P CB 1.622 33.222 31.700 -0.168 0.000 0.898 363 E N 0.047 120.076 120.200 -0.284 0.000 2.345 363 E HA 0.416 4.766 4.350 0.000 0.000 0.259 363 E C -0.562 175.855 176.600 -0.305 0.000 1.117 363 E CA -0.895 55.346 56.400 -0.264 0.000 0.913 363 E CB 0.914 30.448 29.700 -0.277 0.000 1.057 363 E HN 0.193 nan 8.360 nan 0.000 0.432 364 V N 0.336 120.048 119.914 -0.337 0.000 2.760 364 V HA 0.767 4.887 4.120 0.000 0.000 0.309 364 V C -0.830 175.192 176.094 -0.119 0.000 1.077 364 V CA -0.779 61.381 62.300 -0.233 0.000 0.910 364 V CB 1.643 33.228 31.823 -0.396 0.000 1.008 364 V HN 0.785 nan 8.190 nan 0.000 0.424 365 A N 3.576 126.419 122.820 0.038 0.000 2.589 365 A HA 0.994 5.314 4.320 0.000 0.000 0.296 365 A C -1.802 175.885 177.584 0.171 0.000 1.062 365 A CA -0.593 51.395 52.037 -0.082 0.000 0.686 365 A CB 1.709 20.578 19.000 -0.218 0.000 1.282 365 A HN 1.777 nan 8.150 nan 0.000 0.404 366 W N -0.015 121.225 121.300 -0.099 0.000 3.146 366 W HA 0.739 5.399 4.660 0.000 0.000 0.319 366 W C -2.046 174.400 176.519 -0.121 0.000 1.258 366 W CA -1.077 56.191 57.345 -0.128 0.000 1.189 366 W CB 1.026 30.482 29.460 -0.006 0.000 1.412 366 W HN 1.094 nan 8.180 nan 0.000 0.567 367 V N 2.761 122.688 119.914 0.020 0.000 3.048 367 V HA 0.842 4.962 4.120 0.000 0.000 0.303 367 V C 0.284 176.394 176.094 0.027 0.000 1.214 367 V CA 0.479 62.779 62.300 0.002 0.000 0.984 367 V CB 1.379 33.173 31.823 -0.048 0.000 1.054 367 V HN 2.243 nan 8.190 nan 0.000 0.430 368 G N 5.542 114.391 108.800 0.082 0.000 2.503 368 G HA2 -0.113 3.847 3.960 0.000 0.000 0.235 368 G HA3 -0.113 3.847 3.960 0.000 0.000 0.235 368 G C -0.580 174.401 174.900 0.134 0.000 1.179 368 G CA 0.189 45.338 45.100 0.081 0.000 0.944 368 G HN 0.956 nan 8.290 nan 0.000 0.580 369 K N 0.527 120.996 120.400 0.115 0.000 2.318 369 K HA 0.656 4.976 4.320 0.000 0.000 0.249 369 K C 0.446 177.171 176.600 0.208 0.000 0.942 369 K CA -0.058 56.310 56.287 0.135 0.000 0.808 369 K CB 2.014 34.551 32.500 0.062 0.000 1.189 369 K HN 0.924 nan 8.250 nan 0.000 0.428 370 S N 0.288 116.051 115.700 0.106 0.000 2.624 370 S HA 0.101 4.571 4.470 0.000 0.000 0.263 370 S C 0.928 175.414 174.600 -0.190 0.000 1.287 370 S CA -0.457 57.672 58.200 -0.118 0.000 0.990 370 S CB 1.037 64.085 63.200 -0.253 0.000 0.950 370 S HN 0.672 nan 8.310 nan 0.000 0.561 371 E N 0.556 120.580 120.200 -0.293 0.000 2.077 371 E HA -0.168 4.182 4.350 0.000 0.000 0.193 371 E C 1.813 178.326 176.600 -0.145 0.000 0.989 371 E CA 1.441 57.660 56.400 -0.301 0.000 0.800 371 E CB -0.176 29.414 29.700 -0.183 0.000 0.746 371 E HN 0.710 nan 8.360 nan 0.000 0.452 372 E N 0.858 120.983 120.200 -0.126 0.000 2.085 372 E HA -0.221 4.130 4.350 0.000 0.000 0.194 372 E C 1.991 178.568 176.600 -0.037 0.000 0.994 372 E CA 1.252 57.611 56.400 -0.069 0.000 0.801 372 E CB -0.136 29.505 29.700 -0.100 0.000 0.743 372 E HN 0.276 nan 8.360 nan 0.000 0.453 373 Q N -0.223 119.547 119.800 -0.050 0.000 2.119 373 Q HA -0.047 4.293 4.340 0.000 0.000 0.201 373 Q C 2.242 178.244 176.000 0.003 0.000 0.972 373 Q CA 0.897 56.692 55.803 -0.012 0.000 0.847 373 Q CB -0.093 28.647 28.738 0.002 0.000 0.903 373 Q HN 0.281 nan 8.270 nan 0.000 0.433 374 L N 0.530 121.734 121.223 -0.032 0.000 2.046 374 L HA -0.201 4.139 4.340 0.000 0.000 0.208 374 L C 2.260 179.203 176.870 0.122 0.000 1.077 374 L CA 1.276 56.123 54.840 0.013 0.000 0.747 374 L CB -0.363 41.598 42.059 -0.163 0.000 0.896 374 L HN 0.169 nan 8.230 nan 0.000 0.432 375 K N -0.162 120.323 120.400 0.141 0.000 2.097 375 K HA -0.220 4.100 4.320 0.000 0.000 0.206 375 K C 2.048 178.694 176.600 0.077 0.000 1.049 375 K CA 1.297 57.671 56.287 0.145 0.000 0.933 375 K CB -0.059 32.515 32.500 0.124 0.000 0.717 375 K HN 0.294 nan 8.250 nan 0.000 0.442 376 E N 1.133 121.364 120.200 0.051 0.000 2.072 376 E HA -0.183 4.167 4.350 0.000 0.000 0.191 376 E C 1.026 177.650 176.600 0.040 0.000 0.985 376 E CA 1.124 57.545 56.400 0.036 0.000 0.801 376 E CB 0.211 29.926 29.700 0.025 0.000 0.750 376 E HN 0.303 nan 8.360 nan 0.000 0.452 377 E N -0.828 119.400 120.200 0.047 0.000 2.494 377 E HA 0.054 4.404 4.350 0.000 0.000 0.193 377 E C 0.833 177.465 176.600 0.054 0.000 1.074 377 E CA 0.282 56.710 56.400 0.047 0.000 0.867 377 E CB 0.271 30.000 29.700 0.048 0.000 0.924 377 E HN 0.424 nan 8.360 nan 0.000 0.502 378 G N 1.825 110.662 108.800 0.062 0.000 2.233 378 G HA2 -0.280 3.680 3.960 0.000 0.000 0.270 378 G HA3 -0.280 3.680 3.960 0.000 0.000 0.270 378 G C 0.279 175.224 174.900 0.075 0.000 1.011 378 G CA -0.029 45.107 45.100 0.061 0.000 0.762 378 G HN 0.225 nan 8.290 nan 0.000 0.511 379 I N 0.906 121.542 120.570 0.109 0.000 2.471 379 I HA 0.169 4.339 4.170 0.000 0.000 0.286 379 I C 0.925 177.154 176.117 0.186 0.000 1.079 379 I CA -0.265 61.112 61.300 0.129 0.000 1.398 379 I CB 0.659 38.738 38.000 0.132 0.000 1.403 379 I HN 0.212 nan 8.210 nan 0.000 0.530 380 E N 6.419 126.682 120.200 0.106 0.000 2.338 380 E HA 0.296 4.646 4.350 0.000 0.000 0.272 380 E C -1.197 175.475 176.600 0.120 0.000 1.029 380 E CA -0.061 56.359 56.400 0.034 0.000 0.872 380 E CB 1.119 30.812 29.700 -0.011 0.000 1.015 380 E HN 0.486 nan 8.360 nan 0.000 0.417 381 Y N -0.121 120.186 120.300 0.012 0.000 2.644 381 Y HA 0.515 5.065 4.550 0.000 0.000 0.338 381 Y C -1.120 174.787 175.900 0.012 0.000 1.119 381 Y CA -1.512 56.598 58.100 0.016 0.000 1.060 381 Y CB 0.877 39.351 38.460 0.024 0.000 1.294 381 Y HN 0.269 nan 8.280 nan 0.000 0.472 382 K N 0.859 121.425 120.400 0.277 0.000 2.259 382 K HA 0.841 5.161 4.320 0.000 0.000 0.249 382 K C -1.832 174.916 176.600 0.246 0.000 0.942 382 K CA -1.027 55.361 56.287 0.169 0.000 0.816 382 K CB 2.613 35.168 32.500 0.091 0.000 1.155 382 K HN 0.526 nan 8.250 nan 0.000 0.428 383 V N 1.189 121.210 119.914 0.179 0.000 2.495 383 V HA 0.563 4.683 4.120 0.000 0.000 0.298 383 V C -0.058 176.097 176.094 0.103 0.000 1.031 383 V CA -0.658 61.737 62.300 0.158 0.000 0.871 383 V CB 1.706 33.627 31.823 0.164 0.000 0.988 383 V HN 0.974 nan 8.190 nan 0.000 0.432 384 G N 3.846 112.699 108.800 0.089 0.000 2.487 384 G HA2 0.657 4.617 3.960 0.000 0.000 0.314 384 G HA3 0.657 4.617 3.960 0.000 0.000 0.314 384 G C -0.862 174.088 174.900 0.083 0.000 1.267 384 G CA -0.562 44.585 45.100 0.080 0.000 0.937 384 G HN 0.571 nan 8.290 nan 0.000 0.481 385 K N 1.159 121.621 120.400 0.103 0.000 2.316 385 K HA 0.567 4.887 4.320 0.000 0.000 0.251 385 K C -1.986 174.678 176.600 0.106 0.000 0.934 385 K CA -0.837 55.497 56.287 0.078 0.000 0.802 385 K CB 2.822 35.352 32.500 0.050 0.000 1.171 385 K HN 0.396 nan 8.250 nan 0.000 0.426 386 F N 4.604 124.454 119.950 -0.166 0.000 2.730 386 F HA 0.272 4.799 4.527 0.000 0.000 0.335 386 F C -2.527 172.996 175.800 -0.462 0.000 1.212 386 F CA -1.946 55.877 58.000 -0.294 0.000 1.016 386 F CB 1.614 40.481 39.000 -0.222 0.000 1.290 386 F HN 0.288 nan 8.300 nan 0.000 0.495 387 P HA 0.093 nan 4.420 nan 0.000 0.276 387 P C 0.575 177.610 177.300 -0.442 0.000 1.230 387 P CA 0.055 62.773 63.100 -0.636 0.000 0.776 387 P CB 0.773 32.019 31.700 -0.757 0.000 0.888 388 F N 2.496 122.406 119.950 -0.067 0.000 2.333 388 F HA -0.131 4.396 4.527 0.000 0.000 0.300 388 F C 2.553 178.351 175.800 -0.002 0.000 1.083 388 F CA 1.692 59.714 58.000 0.035 0.000 1.395 388 F CB -1.159 37.861 39.000 0.033 0.000 1.056 388 F HN 0.374 nan 8.300 nan 0.000 0.529 389 A N -0.450 122.406 122.820 0.061 0.000 2.125 389 A HA 0.098 4.418 4.320 0.000 0.000 0.219 389 A C 2.185 179.768 177.584 -0.002 0.000 1.156 389 A CA 1.410 53.464 52.037 0.029 0.000 0.671 389 A CB -0.858 18.130 19.000 -0.020 0.000 0.794 389 A HN 0.252 nan 8.150 nan 0.000 0.459 390 A N -0.734 122.021 122.820 -0.109 0.000 2.348 390 A HA 0.179 4.499 4.320 0.000 0.000 0.224 390 A C 0.772 178.507 177.584 0.251 0.000 1.227 390 A CA -0.166 51.832 52.037 -0.065 0.000 0.885 390 A CB -0.197 18.490 19.000 -0.522 0.000 0.933 390 A HN 0.488 nan 8.150 nan 0.000 0.506 391 N N 0.084 118.977 118.700 0.323 0.000 2.438 391 N HA 0.163 4.903 4.740 0.000 0.000 0.282 391 N C 0.484 176.122 175.510 0.214 0.000 1.037 391 N CA 0.146 53.409 53.050 0.355 0.000 0.942 391 N CB 1.415 40.141 38.487 0.398 0.000 1.136 391 N HN 0.031 nan 8.380 nan 0.000 0.481 392 S N 3.267 119.058 115.700 0.152 0.000 2.359 392 S HA -0.133 4.337 4.470 0.000 0.000 0.224 392 S C 1.722 176.340 174.600 0.030 0.000 1.035 392 S CA 1.015 59.259 58.200 0.074 0.000 1.018 392 S CB -0.133 63.066 63.200 -0.001 0.000 0.876 392 S HN 0.664 nan 8.310 nan 0.000 0.448 393 R N 0.861 121.363 120.500 0.002 0.000 2.081 393 R HA -0.054 4.286 4.340 0.000 0.000 0.235 393 R C 2.361 178.694 176.300 0.055 0.000 1.131 393 R CA 1.252 57.357 56.100 0.008 0.000 0.960 393 R CB -0.416 29.884 30.300 -0.001 0.000 0.856 393 R HN 0.386 nan 8.270 nan 0.000 0.436 394 A N 0.920 123.804 122.820 0.107 0.000 1.877 394 A HA -0.188 4.132 4.320 0.000 0.000 0.216 394 A C 2.044 179.687 177.584 0.099 0.000 1.186 394 A CA 1.671 53.772 52.037 0.107 0.000 0.620 394 A CB -0.368 18.753 19.000 0.202 0.000 0.822 394 A HN 0.225 nan 8.150 nan 0.000 0.443 395 K N -0.403 120.062 120.400 0.109 0.000 2.097 395 K HA -0.058 4.262 4.320 0.000 0.000 0.205 395 K C 1.908 178.550 176.600 0.070 0.000 1.050 395 K CA 2.040 58.381 56.287 0.091 0.000 0.938 395 K CB -0.688 31.869 32.500 0.095 0.000 0.718 395 K HN 0.424 nan 8.250 nan 0.000 0.442 396 T N 0.920 115.510 114.554 0.059 0.000 2.821 396 T HA -0.057 4.293 4.350 0.000 0.000 0.267 396 T C 1.175 175.901 174.700 0.043 0.000 1.046 396 T CA 1.442 63.568 62.100 0.043 0.000 1.139 396 T CB -0.269 68.616 68.868 0.028 0.000 0.871 396 T HN 0.238 nan 8.240 nan 0.000 0.454 397 N N 0.904 119.634 118.700 0.051 0.000 2.467 397 N HA 0.292 5.032 4.740 0.000 0.000 0.184 397 N C 0.926 176.480 175.510 0.072 0.000 1.106 397 N CA 0.611 53.696 53.050 0.058 0.000 0.892 397 N CB -0.155 38.371 38.487 0.064 0.000 0.969 397 N HN 0.423 nan 8.380 nan 0.000 0.454 398 A N 0.656 123.520 122.820 0.072 0.000 2.846 398 A HA -0.198 4.122 4.320 0.000 0.000 0.287 398 A C -0.208 177.437 177.584 0.103 0.000 1.469 398 A CA 0.953 53.038 52.037 0.080 0.000 0.757 398 A CB -1.975 17.067 19.000 0.071 0.000 1.033 398 A HN 0.281 nan 8.150 nan 0.000 0.516 399 D N -0.158 120.303 120.400 0.101 0.000 2.429 399 D HA 0.454 5.094 4.640 0.000 0.000 0.255 399 D C 0.891 177.228 176.300 0.062 0.000 1.257 399 D CA 0.539 54.608 54.000 0.115 0.000 0.890 399 D CB 0.313 41.197 40.800 0.141 0.000 1.267 399 D HN 0.574 nan 8.370 nan 0.000 0.521 400 T N -1.315 113.289 114.554 0.084 0.000 3.129 400 T HA 0.218 4.568 4.350 0.000 0.000 0.267 400 T C 0.424 175.198 174.700 0.124 0.000 1.018 400 T CA -0.548 61.618 62.100 0.110 0.000 0.903 400 T CB 0.177 69.112 68.868 0.112 0.000 1.067 400 T HN -0.004 nan 8.240 nan 0.000 0.549 401 D N 2.116 122.563 120.400 0.077 0.000 2.423 401 D HA 0.463 5.103 4.640 0.000 0.000 0.238 401 D C 1.288 177.684 176.300 0.159 0.000 1.142 401 D CA 1.712 55.764 54.000 0.088 0.000 0.884 401 D CB 0.654 41.485 40.800 0.052 0.000 1.199 401 D HN 0.590 nan 8.370 nan 0.000 0.438 402 G N 0.196 109.094 108.800 0.163 0.000 2.632 402 G HA2 0.025 3.985 3.960 0.000 0.000 0.224 402 G HA3 0.025 3.985 3.960 0.000 0.000 0.224 402 G C -0.323 174.719 174.900 0.237 0.000 1.341 402 G CA 0.280 45.511 45.100 0.219 0.000 0.880 402 G HN 0.804 nan 8.290 nan 0.000 0.566 403 M N -3.665 116.062 119.600 0.211 0.000 3.147 403 M HA 0.716 5.196 4.480 0.000 0.000 0.276 403 M C -1.249 175.005 176.300 -0.077 0.000 1.211 403 M CA -1.165 54.075 55.300 -0.099 0.000 0.820 403 M CB 1.646 34.187 32.600 -0.099 0.000 1.621 403 M HN 1.087 nan 8.290 nan 0.000 0.507 404 V N 1.287 121.103 119.914 -0.164 0.000 2.487 404 V HA 0.636 4.756 4.120 0.000 0.000 0.298 404 V C -0.892 175.232 176.094 0.049 0.000 1.028 404 V CA -0.445 61.853 62.300 -0.003 0.000 0.860 404 V CB 1.718 33.538 31.823 -0.004 0.000 0.991 404 V HN 0.768 nan 8.190 nan 0.000 0.427 405 K N 5.124 125.590 120.400 0.110 0.000 2.358 405 K HA 0.620 4.940 4.320 0.000 0.000 0.260 405 K C -1.398 175.289 176.600 0.144 0.000 0.956 405 K CA -0.618 55.736 56.287 0.111 0.000 0.834 405 K CB 1.255 33.816 32.500 0.103 0.000 1.102 405 K HN 0.480 nan 8.250 nan 0.000 0.431 406 I N 5.737 126.365 120.570 0.096 0.000 2.412 406 I HA 0.323 4.493 4.170 0.000 0.000 0.296 406 I C -0.446 175.716 176.117 0.076 0.000 0.987 406 I CA -0.856 60.488 61.300 0.074 0.000 1.180 406 I CB 1.529 39.526 38.000 -0.005 0.000 1.340 406 I HN 0.629 nan 8.210 nan 0.000 0.455 407 L N 5.545 126.808 121.223 0.066 0.000 2.298 407 L HA 0.620 4.960 4.340 0.000 0.000 0.284 407 L C 0.389 177.289 176.870 0.049 0.000 1.013 407 L CA -0.438 54.423 54.840 0.035 0.000 0.824 407 L CB 1.761 43.781 42.059 -0.064 0.000 1.221 407 L HN 0.662 nan 8.230 nan 0.000 0.418 408 G N 1.544 110.399 108.800 0.093 0.000 2.448 408 G HA2 0.321 4.281 3.960 0.000 0.000 0.324 408 G HA3 0.321 4.281 3.960 0.000 0.000 0.324 408 G C -0.979 173.996 174.900 0.126 0.000 1.203 408 G CA -0.393 44.760 45.100 0.088 0.000 0.954 408 G HN 0.388 nan 8.290 nan 0.000 0.480 409 Q N 1.338 121.197 119.800 0.099 0.000 2.239 409 Q HA -0.011 4.329 4.340 0.000 0.000 0.286 409 Q C 1.444 177.496 176.000 0.088 0.000 1.102 409 Q CA -0.104 55.761 55.803 0.103 0.000 0.936 409 Q CB 0.978 29.760 28.738 0.074 0.000 1.127 409 Q HN 0.648 nan 8.270 nan 0.000 0.380 410 K N 2.516 122.971 120.400 0.093 0.000 2.189 410 K HA -0.209 4.111 4.320 0.000 0.000 0.207 410 K C 1.310 177.928 176.600 0.030 0.000 1.046 410 K CA 2.124 58.440 56.287 0.048 0.000 0.928 410 K CB 0.178 32.687 32.500 0.015 0.000 0.720 410 K HN 0.691 nan 8.250 nan 0.000 0.458 411 S N -1.935 113.784 115.700 0.032 0.000 2.599 411 S HA -0.037 4.433 4.470 0.000 0.000 0.236 411 S C 1.760 176.376 174.600 0.027 0.000 1.077 411 S CA 0.584 58.797 58.200 0.023 0.000 0.906 411 S CB -0.090 63.121 63.200 0.018 0.000 0.804 411 S HN 0.312 nan 8.310 nan 0.000 0.497 412 T N -1.049 113.526 114.554 0.034 0.000 3.129 412 T HA 0.157 4.507 4.350 0.000 0.000 0.251 412 T C 0.523 175.245 174.700 0.038 0.000 1.117 412 T CA 0.743 62.863 62.100 0.035 0.000 1.034 412 T CB -0.730 68.160 68.868 0.037 0.000 0.968 412 T HN 0.338 nan 8.240 nan 0.000 0.526 413 D N 0.967 121.391 120.400 0.041 0.000 2.860 413 D HA -0.215 4.425 4.640 0.000 0.000 0.229 413 D C 0.180 176.505 176.300 0.042 0.000 1.169 413 D CA 0.585 54.610 54.000 0.041 0.000 0.737 413 D CB -1.029 39.793 40.800 0.036 0.000 1.080 413 D HN 0.668 nan 8.370 nan 0.000 0.424 414 R N -0.137 120.392 120.500 0.048 0.000 2.390 414 R HA 0.374 4.714 4.340 0.000 0.000 0.291 414 R C -0.355 175.976 176.300 0.052 0.000 1.070 414 R CA -0.579 55.552 56.100 0.051 0.000 1.014 414 R CB 0.830 31.162 30.300 0.053 0.000 1.007 414 R HN -0.016 nan 8.270 nan 0.000 0.466 415 V N 7.236 127.181 119.914 0.051 0.000 2.479 415 V HA 0.003 4.123 4.120 0.000 0.000 0.281 415 V C 1.276 177.403 176.094 0.056 0.000 1.031 415 V CA 0.279 62.609 62.300 0.050 0.000 1.038 415 V CB 1.011 32.867 31.823 0.056 0.000 0.981 415 V HN 0.827 nan 8.190 nan 0.000 0.478 416 L N 3.906 125.158 121.223 0.048 0.000 2.425 416 L HA 0.469 4.809 4.340 0.000 0.000 0.215 416 L C 1.074 177.965 176.870 0.034 0.000 1.065 416 L CA 0.739 55.604 54.840 0.041 0.000 0.842 416 L CB 0.252 42.328 42.059 0.028 0.000 1.033 416 L HN 0.783 nan 8.230 nan 0.000 0.474 417 G N -0.320 108.495 108.800 0.026 0.000 2.742 417 G HA2 0.664 4.624 3.960 0.000 0.000 0.296 417 G HA3 0.664 4.624 3.960 0.000 0.000 0.296 417 G C -1.904 172.966 174.900 -0.050 0.000 1.436 417 G CA -0.070 45.021 45.100 -0.014 0.000 0.928 417 G HN -0.003 nan 8.290 nan 0.000 0.520 418 A N 1.920 124.617 122.820 -0.204 0.000 2.357 418 A HA 0.781 5.101 4.320 0.000 0.000 0.295 418 A C -1.051 176.343 177.584 -0.317 0.000 1.121 418 A CA -0.690 51.302 52.037 -0.075 0.000 0.742 418 A CB 0.983 20.075 19.000 0.153 0.000 1.181 418 A HN 0.715 nan 8.150 nan 0.000 0.454 419 H N 2.525 121.684 119.070 0.148 0.000 2.547 419 H HA 0.520 5.076 4.556 0.000 0.000 0.342 419 H C -1.123 174.279 175.328 0.123 0.000 1.048 419 H CA -0.288 55.843 56.048 0.137 0.000 1.204 419 H CB 1.677 31.452 29.762 0.022 0.000 1.493 419 H HN 0.560 nan 8.280 nan 0.000 0.511 420 I N 4.216 124.915 120.570 0.215 0.000 2.447 420 I HA 0.153 4.323 4.170 0.000 0.000 0.287 420 I C -0.797 175.404 176.117 0.139 0.000 1.023 420 I CA -0.776 60.634 61.300 0.183 0.000 1.083 420 I CB 2.235 40.318 38.000 0.140 0.000 1.245 420 I HN 0.188 nan 8.210 nan 0.000 0.434 421 L N 6.878 128.205 121.223 0.174 0.000 2.372 421 L HA 0.991 5.331 4.340 0.000 0.000 0.273 421 L C -0.118 176.845 176.870 0.154 0.000 0.989 421 L CA 0.410 55.297 54.840 0.078 0.000 0.841 421 L CB 1.128 43.222 42.059 0.059 0.000 1.225 421 L HN 0.827 nan 8.230 nan 0.000 0.414 422 G N 4.096 112.857 108.800 -0.065 0.000 2.320 422 G HA2 0.110 4.070 3.960 0.000 0.000 0.274 422 G HA3 0.110 4.070 3.960 0.000 0.000 0.274 422 G C -3.308 171.265 174.900 -0.545 0.000 1.324 422 G CA -0.754 44.163 45.100 -0.304 0.000 0.957 422 G HN 0.419 nan 8.290 nan 0.000 0.481 423 P HA 0.348 nan 4.420 nan 0.000 0.263 423 P C 1.001 178.039 177.300 -0.437 0.000 1.195 423 P CA 2.010 64.777 63.100 -0.555 0.000 0.762 423 P CB 0.681 32.072 31.700 -0.514 0.000 0.799 424 G N 3.133 111.788 108.800 -0.241 0.000 2.166 424 G HA2 -0.348 3.612 3.960 0.000 0.000 0.260 424 G HA3 -0.348 3.612 3.960 0.000 0.000 0.260 424 G C 1.216 176.030 174.900 -0.144 0.000 0.986 424 G CA 0.481 45.490 45.100 -0.152 0.000 0.683 424 G HN 0.664 nan 8.290 nan 0.000 0.527 425 A N 0.037 122.752 122.820 -0.175 0.000 1.892 425 A HA 0.142 4.462 4.320 0.000 0.000 0.218 425 A C 2.923 180.396 177.584 -0.186 0.000 1.188 425 A CA 2.473 54.431 52.037 -0.132 0.000 0.631 425 A CB -1.143 17.776 19.000 -0.136 0.000 0.822 425 A HN 1.704 nan 8.150 nan 0.000 0.447 426 G N -0.627 108.022 108.800 -0.251 0.000 2.476 426 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 426 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 426 G C 1.430 176.212 174.900 -0.197 0.000 1.164 426 G CA 1.198 46.114 45.100 -0.306 0.000 0.768 426 G HN 0.516 nan 8.290 nan 0.000 0.560 427 E N -0.236 119.884 120.200 -0.133 0.000 2.076 427 E HA 0.012 4.362 4.350 0.000 0.000 0.190 427 E C 2.388 178.908 176.600 -0.134 0.000 0.979 427 E CA 0.394 56.731 56.400 -0.104 0.000 0.807 427 E CB -0.463 29.199 29.700 -0.063 0.000 0.761 427 E HN 0.501 nan 8.360 nan 0.000 0.454 428 M N 0.676 120.191 119.600 -0.142 0.000 2.149 428 M HA -0.137 4.343 4.480 0.000 0.000 0.261 428 M C 2.181 178.298 176.300 -0.305 0.000 1.064 428 M CA 1.032 56.215 55.300 -0.196 0.000 1.102 428 M CB -0.026 32.494 32.600 -0.134 0.000 1.369 428 M HN -0.049 nan 8.290 nan 0.000 0.408 429 V N 1.497 121.261 119.914 -0.251 0.000 2.828 429 V HA -0.266 3.854 4.120 0.000 0.000 0.260 429 V C 1.668 177.623 176.094 -0.231 0.000 1.101 429 V CA 1.782 63.930 62.300 -0.253 0.000 1.123 429 V CB -0.859 30.831 31.823 -0.221 0.000 0.704 429 V HN 0.576 nan 8.190 nan 0.000 0.493 430 N N -0.258 118.320 118.700 -0.205 0.000 2.354 430 N HA -0.135 4.606 4.740 0.000 0.000 0.179 430 N C 1.770 177.199 175.510 -0.137 0.000 1.021 430 N CA 1.190 54.148 53.050 -0.152 0.000 0.887 430 N CB -0.008 38.403 38.487 -0.126 0.000 0.974 430 N HN 0.671 nan 8.380 nan 0.000 0.437 431 E N 1.225 121.305 120.200 -0.200 0.000 2.107 431 E HA -0.051 4.299 4.350 0.000 0.000 0.191 431 E C 1.844 178.360 176.600 -0.140 0.000 0.982 431 E CA 0.697 56.999 56.400 -0.163 0.000 0.809 431 E CB 0.102 29.668 29.700 -0.222 0.000 0.756 431 E HN 0.257 nan 8.360 nan 0.000 0.459 432 A N 1.418 124.049 122.820 -0.316 0.000 1.877 432 A HA -0.112 4.208 4.320 0.000 0.000 0.216 432 A C 2.424 180.014 177.584 0.011 0.000 1.186 432 A CA 1.830 53.801 52.037 -0.110 0.000 0.620 432 A CB -0.875 18.003 19.000 -0.202 0.000 0.822 432 A HN 0.405 nan 8.150 nan 0.000 0.443 433 A N -0.318 122.474 122.820 -0.047 0.000 1.865 433 A HA -0.145 4.175 4.320 0.000 0.000 0.217 433 A C 2.240 179.847 177.584 0.039 0.000 1.191 433 A CA 1.754 53.783 52.037 -0.012 0.000 0.623 433 A CB -0.815 18.156 19.000 -0.048 0.000 0.826 433 A HN 0.725 nan 8.150 nan 0.000 0.444 434 L N -0.624 120.624 121.223 0.041 0.000 2.079 434 L HA -0.167 4.173 4.340 0.000 0.000 0.210 434 L C 2.757 179.733 176.870 0.177 0.000 1.081 434 L CA 1.871 56.774 54.840 0.106 0.000 0.752 434 L CB -0.344 41.755 42.059 0.066 0.000 0.896 434 L HN 0.389 nan 8.230 nan 0.000 0.433 435 A N -0.352 122.554 122.820 0.144 0.000 1.902 435 A HA -0.181 4.139 4.320 0.000 0.000 0.217 435 A C 2.203 179.895 177.584 0.179 0.000 1.181 435 A CA 1.869 54.009 52.037 0.172 0.000 0.623 435 A CB -0.844 18.282 19.000 0.209 0.000 0.818 435 A HN 0.499 nan 8.150 nan 0.000 0.443 436 L N -0.556 120.751 121.223 0.140 0.000 2.083 436 L HA -0.153 4.187 4.340 0.000 0.000 0.209 436 L C 2.436 179.367 176.870 0.103 0.000 1.083 436 L CA 1.189 56.095 54.840 0.110 0.000 0.752 436 L CB -0.596 41.510 42.059 0.079 0.000 0.899 436 L HN 0.401 nan 8.230 nan 0.000 0.433 437 E N -0.612 119.649 120.200 0.102 0.000 2.333 437 E HA -0.194 4.156 4.350 0.000 0.000 0.198 437 E C 1.263 177.860 176.600 -0.006 0.000 1.007 437 E CA 1.166 57.593 56.400 0.046 0.000 0.845 437 E CB 0.035 29.756 29.700 0.035 0.000 0.766 437 E HN 0.549 nan 8.360 nan 0.000 0.507 438 Y N -0.224 120.095 120.300 0.033 0.000 2.458 438 Y HA 0.213 4.763 4.550 0.000 0.000 0.256 438 Y C 1.403 177.324 175.900 0.035 0.000 1.159 438 Y CA 0.335 58.455 58.100 0.032 0.000 1.261 438 Y CB 0.919 39.397 38.460 0.031 0.000 1.119 438 Y HN 0.077 nan 8.280 nan 0.000 0.524 439 G N 0.993 109.879 108.800 0.143 0.000 2.283 439 G HA2 -0.270 3.690 3.960 0.000 0.000 0.280 439 G HA3 -0.270 3.690 3.960 0.000 0.000 0.280 439 G C 0.558 175.526 174.900 0.114 0.000 1.029 439 G CA 0.104 45.267 45.100 0.105 0.000 0.840 439 G HN 0.642 nan 8.290 nan 0.000 0.505 440 A N -0.401 122.501 122.820 0.138 0.000 2.521 440 A HA 0.615 4.935 4.320 0.000 0.000 0.237 440 A C 1.111 178.737 177.584 0.071 0.000 1.087 440 A CA 1.123 53.223 52.037 0.104 0.000 0.777 440 A CB 0.238 19.299 19.000 0.102 0.000 1.035 440 A HN 2.090 nan 8.150 nan 0.000 0.510 441 S N -0.797 114.933 115.700 0.049 0.000 2.664 441 S HA 0.382 4.852 4.470 0.000 0.000 0.304 441 S C 0.871 175.476 174.600 0.008 0.000 1.099 441 S CA -0.200 58.020 58.200 0.033 0.000 1.003 441 S CB 0.910 64.130 63.200 0.033 0.000 1.092 441 S HN 0.746 nan 8.310 nan 0.000 0.525 442 C N 0.716 120.014 119.300 -0.004 0.000 2.413 442 C HA -0.037 4.423 4.460 0.000 0.000 0.277 442 C C 2.769 177.735 174.990 -0.040 0.000 1.265 442 C CA 1.427 60.419 59.018 -0.043 0.000 1.752 442 C CB -1.462 26.264 27.740 -0.023 0.000 1.998 442 C HN 1.112 nan 8.230 nan 0.000 0.489 443 E N 1.779 121.977 120.200 -0.004 0.000 2.038 443 E HA -0.196 4.154 4.350 0.000 0.000 0.195 443 E C 1.535 178.131 176.600 -0.006 0.000 1.000 443 E CA 1.926 58.328 56.400 0.004 0.000 0.803 443 E CB -0.416 29.297 29.700 0.022 0.000 0.750 443 E HN 0.505 nan 8.360 nan 0.000 0.448 444 D N -0.045 120.355 120.400 0.001 0.000 2.126 444 D HA -0.202 4.438 4.640 0.000 0.000 0.190 444 D C 2.090 178.390 176.300 -0.001 0.000 1.001 444 D CA 1.661 55.662 54.000 0.001 0.000 0.841 444 D CB -0.349 40.458 40.800 0.012 0.000 0.949 444 D HN 0.330 nan 8.370 nan 0.000 0.446 445 I N 0.925 121.488 120.570 -0.012 0.000 2.202 445 I HA -0.232 3.938 4.170 0.000 0.000 0.242 445 I C 2.491 178.610 176.117 0.004 0.000 1.091 445 I CA 1.030 62.330 61.300 0.001 0.000 1.368 445 I CB -0.282 37.639 38.000 -0.130 0.000 1.058 445 I HN -0.076 nan 8.210 nan 0.000 0.410 446 A N 0.765 123.546 122.820 -0.066 0.000 1.986 446 A HA -0.218 4.102 4.320 0.000 0.000 0.220 446 A C 2.354 179.923 177.584 -0.026 0.000 1.171 446 A CA 1.530 53.522 52.037 -0.075 0.000 0.640 446 A CB -0.457 18.500 19.000 -0.072 0.000 0.811 446 A HN 0.262 nan 8.150 nan 0.000 0.451 447 R N -0.278 120.218 120.500 -0.007 0.000 2.075 447 R HA 0.008 4.348 4.340 0.000 0.000 0.232 447 R C 0.735 177.048 176.300 0.022 0.000 1.126 447 R CA 0.569 56.668 56.100 -0.002 0.000 0.963 447 R CB -1.362 28.934 30.300 -0.007 0.000 0.858 447 R HN 0.372 nan 8.270 nan 0.000 0.435 448 V N 1.929 121.870 119.914 0.044 0.000 2.720 448 V HA -0.132 3.988 4.120 0.000 0.000 0.307 448 V C 0.909 177.058 176.094 0.092 0.000 1.071 448 V CA -0.341 61.973 62.300 0.023 0.000 1.199 448 V CB 0.332 32.133 31.823 -0.038 0.000 0.900 448 V HN 0.322 nan 8.190 nan 0.000 0.494 449 C N 6.980 126.288 119.300 0.014 0.000 2.464 449 C HA 0.410 4.870 4.460 0.000 0.000 0.370 449 C C 0.290 175.295 174.990 0.025 0.000 1.267 449 C CA -0.452 58.598 59.018 0.052 0.000 1.781 449 C CB -1.560 26.186 27.740 0.010 0.000 2.431 449 C HN 0.921 nan 8.230 nan 0.000 0.556 450 H N 3.543 122.619 119.070 0.009 0.000 2.458 450 H HA 0.544 5.100 4.556 0.000 0.000 0.330 450 H C 0.583 175.936 175.328 0.042 0.000 1.111 450 H CA 0.459 56.522 56.048 0.025 0.000 1.245 450 H CB 1.313 31.093 29.762 0.030 0.000 1.456 450 H HN 0.918 nan 8.280 nan 0.000 0.488 451 A N 2.375 125.276 122.820 0.135 0.000 2.531 451 A HA 0.114 4.435 4.320 0.000 0.000 0.236 451 A C -0.361 177.311 177.584 0.148 0.000 1.062 451 A CA 0.306 52.409 52.037 0.111 0.000 0.760 451 A CB -0.383 18.655 19.000 0.064 0.000 0.995 451 A HN 0.892 nan 8.150 nan 0.000 0.501 452 H N 2.494 121.592 119.070 0.047 0.000 2.505 452 H HA 0.631 5.187 4.556 0.000 0.000 0.338 452 H C -2.401 172.950 175.328 0.038 0.000 1.057 452 H CA -1.474 54.600 56.048 0.043 0.000 1.202 452 H CB 1.371 31.152 29.762 0.033 0.000 1.466 452 H HN 0.594 nan 8.280 nan 0.000 0.499 453 P HA 0.309 nan 4.420 nan 0.000 0.298 453 P C -1.348 175.860 177.300 -0.153 0.000 1.314 453 P CA -0.623 62.174 63.100 -0.505 0.000 0.854 453 P CB 1.895 33.265 31.700 -0.551 0.000 1.019 454 T N -1.234 113.275 114.554 -0.076 0.000 2.900 454 T HA 0.349 4.700 4.350 0.000 0.000 0.303 454 T C 1.115 175.852 174.700 0.061 0.000 1.142 454 T CA -0.896 61.212 62.100 0.015 0.000 1.007 454 T CB 0.896 69.799 68.868 0.060 0.000 1.156 454 T HN 0.124 nan 8.240 nan 0.000 0.490 455 L N 1.524 122.806 121.223 0.098 0.000 2.131 455 L HA -0.056 4.284 4.340 0.000 0.000 0.210 455 L C 3.032 180.033 176.870 0.219 0.000 1.092 455 L CA 1.575 56.540 54.840 0.209 0.000 0.759 455 L CB -0.643 41.508 42.059 0.153 0.000 0.903 455 L HN 0.957 nan 8.230 nan 0.000 0.435 456 S N -0.466 115.325 115.700 0.152 0.000 2.440 456 S HA -0.206 4.264 4.470 0.000 0.000 0.238 456 S C 1.595 176.230 174.600 0.058 0.000 1.010 456 S CA 1.104 59.408 58.200 0.174 0.000 0.972 456 S CB -0.394 62.964 63.200 0.262 0.000 0.774 456 S HN 0.522 nan 8.310 nan 0.000 0.501 457 E N 1.477 121.664 120.200 -0.022 0.000 2.265 457 E HA -0.037 4.313 4.350 0.000 0.000 0.196 457 E C 2.299 178.663 176.600 -0.394 0.000 0.996 457 E CA 0.894 57.165 56.400 -0.215 0.000 0.832 457 E CB -0.383 29.259 29.700 -0.097 0.000 0.756 457 E HN 0.786 nan 8.360 nan 0.000 0.491 458 A N 0.925 123.571 122.820 -0.290 0.000 1.930 458 A HA -0.151 4.169 4.320 0.000 0.000 0.217 458 A C 1.894 179.276 177.584 -0.336 0.000 1.175 458 A CA 0.758 52.487 52.037 -0.514 0.000 0.627 458 A CB -0.504 18.264 19.000 -0.388 0.000 0.815 458 A HN 0.321 nan 8.150 nan 0.000 0.443 459 F N 0.675 120.454 119.950 -0.284 0.000 2.146 459 F HA -0.072 4.456 4.527 0.000 0.000 0.298 459 F C 2.290 177.940 175.800 -0.250 0.000 1.096 459 F CA 1.735 59.623 58.000 -0.187 0.000 1.275 459 F CB -0.316 38.638 39.000 -0.077 0.000 1.008 459 F HN 0.212 nan 8.300 nan 0.000 0.480 460 R N 0.398 120.636 120.500 -0.437 0.000 2.073 460 R HA -0.212 4.128 4.340 0.000 0.000 0.234 460 R C 2.237 178.261 176.300 -0.459 0.000 1.134 460 R CA 2.107 57.841 56.100 -0.609 0.000 0.952 460 R CB -0.580 29.165 30.300 -0.926 0.000 0.850 460 R HN 0.397 nan 8.270 nan 0.000 0.433 461 E N -0.544 119.357 120.200 -0.498 0.000 2.208 461 E HA -0.096 4.254 4.350 0.000 0.000 0.193 461 E C 1.690 178.162 176.600 -0.214 0.000 0.988 461 E CA 0.916 57.062 56.400 -0.423 0.000 0.828 461 E CB 0.054 29.269 29.700 -0.807 0.000 0.763 461 E HN 0.506 nan 8.360 nan 0.000 0.478 462 A N 0.880 123.569 122.820 -0.218 0.000 1.929 462 A HA -0.148 4.173 4.320 0.000 0.000 0.216 462 A C 1.912 179.436 177.584 -0.100 0.000 1.176 462 A CA 1.074 53.085 52.037 -0.044 0.000 0.628 462 A CB -0.342 18.641 19.000 -0.029 0.000 0.816 462 A HN 0.192 nan 8.150 nan 0.000 0.444 463 N N -0.213 118.336 118.700 -0.251 0.000 2.188 463 N HA -0.127 4.613 4.740 0.000 0.000 0.184 463 N C 1.697 177.143 175.510 -0.108 0.000 1.018 463 N CA 1.519 54.430 53.050 -0.232 0.000 0.858 463 N CB -0.287 37.959 38.487 -0.401 0.000 0.989 463 N HN 0.456 nan 8.380 nan 0.000 0.426 464 L N 1.372 122.535 121.223 -0.101 0.000 2.056 464 L HA 0.007 4.347 4.340 0.000 0.000 0.207 464 L C 2.118 179.041 176.870 0.087 0.000 1.078 464 L CA 1.602 56.431 54.840 -0.017 0.000 0.749 464 L CB -0.839 41.185 42.059 -0.058 0.000 0.901 464 L HN 0.045 nan 8.230 nan 0.000 0.433 465 A N -0.567 122.305 122.820 0.088 0.000 2.019 465 A HA 0.005 4.325 4.320 0.000 0.000 0.219 465 A C 2.385 180.030 177.584 0.101 0.000 1.164 465 A CA 1.575 53.695 52.037 0.138 0.000 0.644 465 A CB -0.951 18.150 19.000 0.169 0.000 0.805 465 A HN 0.615 nan 8.150 nan 0.000 0.449 466 A N -1.294 121.565 122.820 0.065 0.000 1.874 466 A HA 0.043 4.364 4.320 0.000 0.000 0.214 466 A C 2.448 180.065 177.584 0.055 0.000 1.189 466 A CA 1.750 53.819 52.037 0.054 0.000 0.615 466 A CB -0.882 18.138 19.000 0.033 0.000 0.830 466 A HN 0.421 nan 8.150 nan 0.000 0.443 467 S N -1.568 114.169 115.700 0.062 0.000 2.335 467 S HA -0.090 4.380 4.470 0.000 0.000 0.216 467 S C 1.679 176.350 174.600 0.117 0.000 1.032 467 S CA 1.672 59.918 58.200 0.078 0.000 1.000 467 S CB -0.388 62.856 63.200 0.073 0.000 0.928 467 S HN 0.568 nan 8.310 nan 0.000 0.434 468 F N 0.693 120.639 119.950 -0.005 0.000 2.569 468 F HA 0.295 4.822 4.527 0.000 0.000 0.295 468 F C 1.541 177.343 175.800 0.003 0.000 1.115 468 F CA 1.176 59.175 58.000 -0.002 0.000 1.450 468 F CB 0.133 39.130 39.000 -0.004 0.000 1.107 468 F HN 0.388 nan 8.300 nan 0.000 0.563 469 G N 1.052 109.887 108.800 0.059 0.000 2.194 469 G HA2 -0.235 3.725 3.960 0.000 0.000 0.236 469 G HA3 -0.235 3.725 3.960 0.000 0.000 0.236 469 G C 0.170 175.110 174.900 0.067 0.000 0.987 469 G CA 0.155 45.240 45.100 -0.024 0.000 0.635 469 G HN 0.434 nan 8.290 nan 0.000 0.520 470 K N 0.247 120.801 120.400 0.256 0.000 2.523 470 K HA 0.611 4.931 4.320 0.000 0.000 0.257 470 K C 0.066 176.835 176.600 0.282 0.000 0.932 470 K CA -0.181 56.263 56.287 0.262 0.000 0.812 470 K CB 2.139 34.810 32.500 0.286 0.000 1.326 470 K HN 0.380 nan 8.250 nan 0.000 0.433 471 S N 0.822 116.655 115.700 0.221 0.000 2.719 471 S HA 0.476 4.946 4.470 0.000 0.000 0.285 471 S C 1.049 175.744 174.600 0.158 0.000 1.137 471 S CA -0.755 57.567 58.200 0.204 0.000 1.012 471 S CB 0.517 63.943 63.200 0.376 0.000 1.134 471 S HN 0.574 nan 8.310 nan 0.000 0.544 472 I N 0.426 121.076 120.570 0.134 0.000 2.512 472 I HA 0.043 4.213 4.170 0.000 0.000 0.247 472 I C 1.477 177.691 176.117 0.161 0.000 1.094 472 I CA 0.365 61.721 61.300 0.092 0.000 1.427 472 I CB -0.277 37.740 38.000 0.029 0.000 1.149 472 I HN 0.573 nan 8.210 nan 0.000 0.438 473 N N 0.371 119.242 118.700 0.286 0.000 2.370 473 N HA 0.146 4.886 4.740 0.000 0.000 0.198 473 N C -0.434 175.310 175.510 0.391 0.000 1.156 473 N CA 0.351 53.605 53.050 0.339 0.000 0.839 473 N CB 0.714 39.444 38.487 0.405 0.000 0.989 473 N HN 0.147 nan 8.380 nan 0.000 0.468 474 F N 0.000 120.034 119.950 0.140 0.000 2.286 474 F HA 0.000 4.527 4.527 0.000 0.000 0.279 474 F CA 0.000 57.977 58.000 -0.039 0.000 1.383 474 F CB 0.000 38.790 39.000 -0.350 0.000 1.145 474 F HN 0.000 nan 8.300 nan 0.000 0.574