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 3fyi_1_C DATA FIRST_RESID 20 DATA SEQUENCE WFMSTNHKDI GVLYLFTGGL VGLISVAFTV YMRMELMAPG VQFMcAEHLE DATA SEQUENCE SGLVKGFFQS LWPSAVENcT PNGHLWNVMI TGHGILMMFF VVIPALFGGF DATA SEQUENCE GNYFMPLHIG APDMAFPRMN NLSYWLYVAG TSLAVASLFA PGGNGQLGSG DATA SEQUENCE IGWVLYPPLS TSESGYSTDL AIFAVHLSGA SSILGAINMI TTFLNMRAPG DATA SEQUENCE MTMHKVPLFA WSIFVTAWLI LLALPVLAGA ITMLLTDRNF GTTFFQPSGG DATA SEQUENCE GDPVLYQHIL WFFGHPEVYI IVLPAFGIVS HVIATFAKKP IFGYLPMVYA DATA SEQUENCE MVAIGVLGFV VWAHHMYTAG LSLTQQSYFM MATMVIAVPT GIKIFSWIAT DATA SEQUENCE MWGGSIELKT PMLWALGFLF LFTVGGVTGI VLSQASVDRY YHDTYYVVAH DATA SEQUENCE FHYVMSLGAV FGIFAGIYFW IGKMSGRQYP EWAGKLHFWM MFVGANLTFF DATA SEQUENCE PQHFLGRQGM PRRYIDYPEA FATWNFVSSL GAFLSFASFL FFLGVIFYTL DATA SEQUENCE TRGARVTANN YWNEHADTLE WTLTSPPPEH T 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 20 W HA 0.000 nan 4.660 nan 0.000 0.303 20 W C 0.000 176.368 176.519 -0.252 0.000 1.175 20 W CA 0.000 57.212 57.345 -0.222 0.000 1.226 20 W CB 0.000 29.261 29.460 -0.331 0.000 1.126 21 F N 1.412 121.532 119.950 0.284 0.000 2.502 21 F HA -0.109 4.417 4.527 -0.001 0.000 0.298 21 F C 2.110 178.099 175.800 0.314 0.000 1.111 21 F CA 0.970 59.115 58.000 0.242 0.000 1.445 21 F CB -0.193 39.059 39.000 0.419 0.000 1.081 21 F HN -0.224 nan 8.300 nan 0.000 0.558 22 M N -1.204 118.615 119.600 0.366 0.000 2.510 22 M HA 0.092 4.571 4.480 -0.001 0.000 0.256 22 M C 1.012 177.401 176.300 0.148 0.000 1.132 22 M CA 0.299 55.755 55.300 0.259 0.000 1.105 22 M CB -0.907 31.800 32.600 0.179 0.000 1.375 22 M HN -0.086 nan 8.290 nan 0.000 0.477 23 S N 1.810 117.556 115.700 0.076 0.000 2.533 23 S HA 0.104 4.573 4.470 -0.001 0.000 0.282 23 S C 1.258 175.862 174.600 0.005 0.000 1.304 23 S CA 0.158 58.350 58.200 -0.013 0.000 1.063 23 S CB 0.451 63.587 63.200 -0.107 0.000 0.881 23 S HN 0.547 nan 8.310 nan 0.000 0.493 24 T N 1.600 116.153 114.554 -0.002 0.000 3.105 24 T HA 0.192 4.542 4.350 -0.001 0.000 0.253 24 T C 0.513 175.201 174.700 -0.021 0.000 1.047 24 T CA -0.446 61.669 62.100 0.024 0.000 0.944 24 T CB -0.420 68.481 68.868 0.055 0.000 1.016 24 T HN 0.623 nan 8.240 nan 0.000 0.544 25 N N 1.800 120.439 118.700 -0.101 0.000 2.470 25 N HA -0.007 4.732 4.740 -0.001 0.000 0.268 25 N C 1.310 176.687 175.510 -0.221 0.000 1.136 25 N CA -0.019 52.920 53.050 -0.185 0.000 0.961 25 N CB 0.806 39.106 38.487 -0.312 0.000 1.067 25 N HN 0.602 nan 8.380 nan 0.000 0.468 26 H N 3.622 122.579 119.070 -0.188 0.000 2.426 26 H HA -0.124 4.432 4.556 -0.001 0.000 0.298 26 H C 1.171 176.312 175.328 -0.312 0.000 1.107 26 H CA 1.594 57.522 56.048 -0.200 0.000 1.298 26 H CB 0.185 29.826 29.762 -0.201 0.000 1.377 26 H HN 0.546 nan 8.280 nan 0.000 0.519 27 K N 0.221 119.970 120.400 -1.086 0.000 2.062 27 K HA -0.096 4.224 4.320 -0.001 0.000 0.205 27 K C 1.704 178.031 176.600 -0.455 0.000 1.051 27 K CA 1.304 56.894 56.287 -1.161 0.000 0.941 27 K CB 0.095 31.770 32.500 -1.374 0.000 0.719 27 K HN 0.450 nan 8.250 nan 0.000 0.440 28 D N 1.026 121.247 120.400 -0.298 0.000 2.144 28 D HA -0.109 4.531 4.640 -0.001 0.000 0.200 28 D C 2.013 178.308 176.300 -0.009 0.000 0.978 28 D CA 1.015 55.011 54.000 -0.007 0.000 0.833 28 D CB -0.083 40.650 40.800 -0.112 0.000 0.961 28 D HN 0.166 nan 8.370 nan 0.000 0.470 29 I N 1.511 122.021 120.570 -0.100 0.000 2.179 29 I HA -0.178 3.992 4.170 -0.001 0.000 0.242 29 I C 2.705 178.842 176.117 0.033 0.000 1.088 29 I CA 1.366 62.606 61.300 -0.101 0.000 1.357 29 I CB -0.524 37.483 38.000 0.012 0.000 1.051 29 I HN 0.002 nan 8.210 nan 0.000 0.409 30 G N 0.411 109.259 108.800 0.080 0.000 2.469 30 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.219 30 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.219 30 G C 1.692 176.661 174.900 0.115 0.000 1.150 30 G CA 1.103 46.288 45.100 0.142 0.000 0.763 30 G HN 0.271 nan 8.290 nan 0.000 0.561 31 V N 0.689 120.679 119.914 0.127 0.000 2.515 31 V HA -0.071 4.048 4.120 -0.001 0.000 0.250 31 V C 2.884 178.975 176.094 -0.005 0.000 1.058 31 V CA 1.227 63.588 62.300 0.101 0.000 1.064 31 V CB -0.296 31.666 31.823 0.231 0.000 0.675 31 V HN 0.344 nan 8.190 nan 0.000 0.461 32 L N -1.543 119.560 121.223 -0.201 0.000 1.994 32 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 32 L C 2.487 179.301 176.870 -0.092 0.000 1.071 32 L CA 2.017 56.590 54.840 -0.445 0.000 0.745 32 L CB -0.707 40.685 42.059 -1.111 0.000 0.892 32 L HN 0.266 nan 8.230 nan 0.000 0.431 33 Y N -0.055 120.242 120.300 -0.005 0.000 2.151 33 Y HA -0.333 4.216 4.550 -0.001 0.000 0.284 33 Y C 2.533 178.467 175.900 0.057 0.000 1.166 33 Y CA 1.379 59.566 58.100 0.145 0.000 1.163 33 Y CB -0.239 38.237 38.460 0.028 0.000 0.974 33 Y HN 0.097 nan 8.280 nan 0.000 0.511 34 L N -1.911 119.367 121.223 0.091 0.000 2.017 34 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 34 L C 2.107 178.940 176.870 -0.061 0.000 1.073 34 L CA 1.250 56.030 54.840 -0.101 0.000 0.745 34 L CB -0.509 41.360 42.059 -0.317 0.000 0.894 34 L HN 0.170 nan 8.230 nan 0.000 0.432 35 F N -0.203 119.732 119.950 -0.025 0.000 2.146 35 F HA -0.206 4.321 4.527 -0.001 0.000 0.298 35 F C 2.611 178.456 175.800 0.074 0.000 1.096 35 F CA 1.746 59.736 58.000 -0.016 0.000 1.275 35 F CB -0.766 38.151 39.000 -0.139 0.000 1.008 35 F HN 0.030 nan 8.300 nan 0.000 0.480 36 T N -0.975 113.775 114.554 0.326 0.000 2.701 36 T HA -0.104 4.245 4.350 -0.001 0.000 0.263 36 T C 2.388 177.300 174.700 0.353 0.000 1.040 36 T CA 1.343 63.644 62.100 0.335 0.000 1.147 36 T CB -1.178 67.957 68.868 0.444 0.000 0.865 36 T HN 0.386 nan 8.240 nan 0.000 0.426 37 G N 1.130 110.162 108.800 0.386 0.000 2.469 37 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.220 37 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.220 37 G C 1.689 176.725 174.900 0.225 0.000 1.136 37 G CA 1.065 46.349 45.100 0.306 0.000 0.759 37 G HN 0.586 nan 8.290 nan 0.000 0.562 38 G N 0.416 109.341 108.800 0.209 0.000 2.421 38 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.217 38 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.217 38 G C 1.698 176.781 174.900 0.304 0.000 1.143 38 G CA 0.960 46.215 45.100 0.259 0.000 0.784 38 G HN 0.431 nan 8.290 nan 0.000 0.541 39 L N 0.850 122.226 121.223 0.256 0.000 2.044 39 L HA 0.085 4.425 4.340 -0.001 0.000 0.205 39 L C 2.857 179.838 176.870 0.186 0.000 1.075 39 L CA 1.336 56.309 54.840 0.222 0.000 0.747 39 L CB -0.485 41.684 42.059 0.184 0.000 0.903 39 L HN 0.052 nan 8.230 nan 0.000 0.435 40 V N 0.453 120.472 119.914 0.175 0.000 2.287 40 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 40 V C 2.694 178.847 176.094 0.099 0.000 1.053 40 V CA 1.802 64.178 62.300 0.127 0.000 1.027 40 V CB -1.913 30.023 31.823 0.189 0.000 0.646 40 V HN 0.623 nan 8.190 nan 0.000 0.447 41 G N 0.170 109.054 108.800 0.139 0.000 2.505 41 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.220 41 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.220 41 G C 1.597 176.542 174.900 0.075 0.000 1.145 41 G CA 1.425 46.574 45.100 0.082 0.000 0.761 41 G HN 0.481 nan 8.290 nan 0.000 0.571 42 L N 0.483 121.854 121.223 0.247 0.000 2.093 42 L HA 0.142 4.481 4.340 -0.001 0.000 0.208 42 L C 2.622 179.604 176.870 0.186 0.000 1.085 42 L CA 1.252 56.310 54.840 0.364 0.000 0.755 42 L CB -0.340 42.004 42.059 0.475 0.000 0.904 42 L HN 0.283 nan 8.230 nan 0.000 0.435 43 I N -1.148 119.455 120.570 0.056 0.000 2.142 43 I HA -0.285 3.884 4.170 -0.001 0.000 0.240 43 I C 2.663 178.505 176.117 -0.459 0.000 1.078 43 I CA 1.560 62.784 61.300 -0.125 0.000 1.343 43 I CB -0.591 37.325 38.000 -0.139 0.000 1.046 43 I HN 0.313 nan 8.210 nan 0.000 0.405 44 S N 0.259 115.728 115.700 -0.385 0.000 2.383 44 S HA -0.135 4.334 4.470 -0.001 0.000 0.229 44 S C 2.031 176.578 174.600 -0.089 0.000 1.030 44 S CA 1.284 59.275 58.200 -0.348 0.000 1.002 44 S CB -0.191 62.966 63.200 -0.072 0.000 0.829 44 S HN 0.234 nan 8.310 nan 0.000 0.467 45 V N 1.773 121.661 119.914 -0.043 0.000 2.548 45 V HA -0.034 4.085 4.120 -0.001 0.000 0.249 45 V C 2.755 178.812 176.094 -0.061 0.000 1.055 45 V CA 1.421 63.713 62.300 -0.013 0.000 1.065 45 V CB -1.202 30.613 31.823 -0.013 0.000 0.681 45 V HN 0.581 nan 8.190 nan 0.000 0.462 46 A N 0.130 122.943 122.820 -0.012 0.000 1.908 46 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 46 A C 2.038 179.686 177.584 0.106 0.000 1.181 46 A CA 1.764 53.774 52.037 -0.046 0.000 0.627 46 A CB -0.657 18.418 19.000 0.125 0.000 0.818 46 A HN 0.429 nan 8.150 nan 0.000 0.445 47 F N 1.167 121.081 119.950 -0.060 0.000 2.065 47 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 47 F C 3.064 178.759 175.800 -0.175 0.000 1.112 47 F CA 1.647 59.602 58.000 -0.074 0.000 1.212 47 F CB -1.695 37.281 39.000 -0.040 0.000 0.975 47 F HN 0.442 nan 8.300 nan 0.000 0.476 48 T N -1.780 112.726 114.554 -0.080 0.000 2.803 48 T HA -0.126 4.224 4.350 -0.001 0.000 0.269 48 T C 2.050 176.658 174.700 -0.154 0.000 1.052 48 T CA 1.505 63.455 62.100 -0.251 0.000 1.136 48 T CB -1.064 67.598 68.868 -0.344 0.000 0.864 48 T HN 0.077 nan 8.240 nan 0.000 0.467 49 V N 0.110 119.936 119.914 -0.146 0.000 2.358 49 V HA -0.054 4.065 4.120 -0.001 0.000 0.246 49 V C 2.307 178.416 176.094 0.025 0.000 1.047 49 V CA 1.586 63.826 62.300 -0.100 0.000 1.035 49 V CB -0.927 30.639 31.823 -0.428 0.000 0.658 49 V HN 0.513 nan 8.190 nan 0.000 0.452 50 Y N 0.310 120.511 120.300 -0.165 0.000 2.200 50 Y HA -0.205 4.344 4.550 -0.001 0.000 0.290 50 Y C 2.447 178.271 175.900 -0.127 0.000 1.137 50 Y CA 1.533 59.518 58.100 -0.193 0.000 1.163 50 Y CB -0.402 37.938 38.460 -0.200 0.000 0.988 50 Y HN 0.174 nan 8.280 nan 0.000 0.518 51 M N -0.546 118.967 119.600 -0.145 0.000 2.082 51 M HA -0.283 4.196 4.480 -0.001 0.000 0.258 51 M C 2.062 178.401 176.300 0.066 0.000 1.069 51 M CA 1.783 57.006 55.300 -0.127 0.000 1.102 51 M CB -0.249 32.188 32.600 -0.271 0.000 1.336 51 M HN 0.015 nan 8.290 nan 0.000 0.404 52 R N -0.255 120.223 120.500 -0.036 0.000 2.189 52 R HA 0.057 4.396 4.340 -0.001 0.000 0.218 52 R C 1.909 178.200 176.300 -0.015 0.000 1.074 52 R CA 1.057 57.101 56.100 -0.093 0.000 0.991 52 R CB -0.672 29.431 30.300 -0.329 0.000 0.883 52 R HN 0.503 nan 8.270 nan 0.000 0.457 53 M N 0.243 119.855 119.600 0.019 0.000 2.086 53 M HA -0.169 4.310 4.480 -0.001 0.000 0.261 53 M C 2.048 178.219 176.300 -0.216 0.000 1.067 53 M CA 1.652 56.865 55.300 -0.146 0.000 1.116 53 M CB -0.197 32.020 32.600 -0.638 0.000 1.348 53 M HN -0.098 nan 8.290 nan 0.000 0.407 54 E N 0.668 120.738 120.200 -0.217 0.000 2.150 54 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 54 E C 1.564 178.230 176.600 0.110 0.000 0.985 54 E CA 1.151 57.576 56.400 0.040 0.000 0.814 54 E CB -0.201 29.535 29.700 0.061 0.000 0.752 54 E HN 0.480 nan 8.360 nan 0.000 0.466 55 L N 0.211 121.511 121.223 0.127 0.000 2.591 55 L HA 0.164 4.503 4.340 -0.001 0.000 0.228 55 L C 2.204 179.211 176.870 0.229 0.000 1.133 55 L CA 0.072 55.031 54.840 0.197 0.000 0.880 55 L CB -0.245 41.873 42.059 0.098 0.000 1.033 55 L HN 0.269 nan 8.230 nan 0.000 0.450 56 M N 0.291 119.997 119.600 0.176 0.000 2.175 56 M HA -0.011 4.468 4.480 -0.001 0.000 0.264 56 M C 0.713 177.222 176.300 0.350 0.000 1.063 56 M CA 1.283 56.714 55.300 0.217 0.000 1.119 56 M CB 0.237 32.974 32.600 0.228 0.000 1.377 56 M HN 0.189 nan 8.290 nan 0.000 0.415 57 A N 1.061 124.054 122.820 0.288 0.000 2.449 57 A HA 0.729 5.048 4.320 -0.001 0.000 0.302 57 A C -2.692 174.882 177.584 -0.017 0.000 1.048 57 A CA -1.629 50.525 52.037 0.195 0.000 0.708 57 A CB 0.787 19.870 19.000 0.139 0.000 1.274 57 A HN 0.197 nan 8.150 nan 0.000 0.410 58 P HA 0.404 nan 4.420 nan 0.000 0.269 58 P C 0.514 177.639 177.300 -0.291 0.000 1.215 58 P CA 1.449 64.209 63.100 -0.567 0.000 0.780 58 P CB 0.624 32.117 31.700 -0.345 0.000 0.898 59 G N 0.078 108.696 108.800 -0.303 0.000 2.722 59 G HA2 -0.080 3.880 3.960 -0.001 0.000 0.686 59 G HA3 -0.080 3.880 3.960 -0.001 0.000 0.686 59 G C -0.945 173.866 174.900 -0.148 0.000 1.282 59 G CA -0.718 44.274 45.100 -0.179 0.000 0.817 59 G HN 0.444 nan 8.290 nan 0.000 0.605 60 V N 2.329 122.176 119.914 -0.111 0.000 2.406 60 V HA 0.478 4.598 4.120 -0.001 0.000 0.272 60 V C 0.882 176.941 176.094 -0.059 0.000 1.043 60 V CA 0.433 62.696 62.300 -0.063 0.000 0.915 60 V CB 1.419 33.207 31.823 -0.058 0.000 0.988 60 V HN 0.863 nan 8.190 nan 0.000 0.466 61 Q N 2.416 122.188 119.800 -0.046 0.000 2.245 61 Q HA 0.347 4.687 4.340 -0.001 0.000 0.250 61 Q C 0.797 176.579 176.000 -0.363 0.000 0.830 61 Q CA 0.436 56.097 55.803 -0.238 0.000 0.950 61 Q CB 0.541 29.047 28.738 -0.386 0.000 1.124 61 Q HN 0.793 nan 8.270 nan 0.000 0.502 62 F N -0.827 119.163 119.950 0.065 0.000 2.537 62 F HA 0.303 4.829 4.527 -0.001 0.000 0.277 62 F C 0.868 176.810 175.800 0.236 0.000 1.013 62 F CA 0.124 58.224 58.000 0.165 0.000 1.332 62 F CB 0.424 39.458 39.000 0.057 0.000 1.108 62 F HN -0.118 nan 8.300 nan 0.000 0.679 63 M N 1.674 121.454 119.600 0.299 0.000 3.586 63 M HA 0.167 4.646 4.480 -0.001 0.000 0.225 63 M C -1.030 175.343 176.300 0.121 0.000 1.428 63 M CA -0.210 55.239 55.300 0.249 0.000 1.613 63 M CB -0.601 32.120 32.600 0.201 0.000 1.063 63 M HN 0.080 nan 8.290 nan 0.000 0.593 64 c N 0.620 119.232 118.600 0.020 0.000 2.452 64 c HA 0.418 4.987 4.570 -0.001 0.000 0.379 64 c C 1.968 175.952 174.090 -0.175 0.000 1.275 64 c CA -0.605 55.598 56.329 -0.209 0.000 2.056 64 c CB 0.613 42.798 42.510 -0.541 0.000 2.506 64 c HN 0.873 nan 8.230 nan 0.000 0.560 65 A N 1.815 124.580 122.820 -0.092 0.000 2.024 65 A HA -0.142 4.178 4.320 -0.001 0.000 0.220 65 A C 1.869 179.424 177.584 -0.048 0.000 1.164 65 A CA 1.596 53.612 52.037 -0.035 0.000 0.643 65 A CB -0.389 18.599 19.000 -0.019 0.000 0.806 65 A HN 0.923 nan 8.150 nan 0.000 0.451 66 E N -0.245 119.877 120.200 -0.130 0.000 2.267 66 E HA -0.174 4.175 4.350 -0.001 0.000 0.197 66 E C 1.406 178.025 176.600 0.030 0.000 0.998 66 E CA 1.208 57.560 56.400 -0.079 0.000 0.830 66 E CB -0.306 29.326 29.700 -0.114 0.000 0.751 66 E HN 0.728 nan 8.360 nan 0.000 0.491 67 H N -0.748 118.370 119.070 0.080 0.000 2.556 67 H HA 0.106 4.661 4.556 -0.001 0.000 0.268 67 H C 1.609 176.994 175.328 0.094 0.000 0.996 67 H CA 0.473 56.579 56.048 0.097 0.000 1.157 67 H CB 0.014 29.846 29.762 0.117 0.000 1.355 67 H HN 0.200 nan 8.280 nan 0.000 0.597 68 L N -0.029 121.293 121.223 0.166 0.000 2.249 68 L HA -0.013 4.326 4.340 -0.001 0.000 0.207 68 L C 2.100 179.031 176.870 0.101 0.000 1.090 68 L CA 0.584 55.498 54.840 0.123 0.000 0.802 68 L CB 0.071 42.180 42.059 0.085 0.000 0.947 68 L HN 0.067 nan 8.230 nan 0.000 0.453 69 E N 0.082 120.335 120.200 0.089 0.000 2.347 69 E HA -0.000 4.349 4.350 -0.001 0.000 0.196 69 E C 0.955 177.605 176.600 0.083 0.000 1.008 69 E CA 0.202 56.645 56.400 0.073 0.000 0.852 69 E CB 0.168 29.902 29.700 0.057 0.000 0.783 69 E HN 0.367 nan 8.360 nan 0.000 0.505 70 S N -0.091 115.676 115.700 0.111 0.000 2.625 70 S HA 0.383 4.852 4.470 -0.001 0.000 0.262 70 S C 0.711 175.375 174.600 0.108 0.000 1.223 70 S CA -0.341 57.926 58.200 0.112 0.000 0.993 70 S CB 0.750 64.034 63.200 0.140 0.000 1.051 70 S HN 0.246 nan 8.310 nan 0.000 0.562 71 G N -0.438 108.426 108.800 0.106 0.000 2.651 71 G HA2 0.345 4.304 3.960 -0.001 0.000 0.260 71 G HA3 0.345 4.304 3.960 -0.001 0.000 0.260 71 G C 0.571 175.553 174.900 0.137 0.000 1.216 71 G CA -0.458 44.705 45.100 0.105 0.000 0.913 71 G HN 0.457 nan 8.290 nan 0.000 0.535 72 L N 0.720 122.023 121.223 0.134 0.000 2.072 72 L HA 0.027 4.367 4.340 -0.001 0.000 0.205 72 L C 2.766 179.756 176.870 0.201 0.000 1.079 72 L CA 1.382 56.324 54.840 0.171 0.000 0.752 72 L CB -0.206 41.944 42.059 0.152 0.000 0.906 72 L HN 0.294 nan 8.230 nan 0.000 0.436 73 V N -1.079 118.932 119.914 0.162 0.000 2.725 73 V HA -0.134 3.985 4.120 -0.001 0.000 0.247 73 V C 2.376 178.661 176.094 0.319 0.000 1.058 73 V CA 1.118 63.538 62.300 0.201 0.000 1.080 73 V CB -0.400 31.491 31.823 0.113 0.000 0.713 73 V HN 0.375 nan 8.190 nan 0.000 0.465 74 K N 0.659 121.189 120.400 0.217 0.000 2.057 74 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 74 K C 2.191 178.925 176.600 0.223 0.000 1.050 74 K CA 1.470 57.876 56.287 0.199 0.000 0.935 74 K CB -0.553 32.017 32.500 0.117 0.000 0.715 74 K HN 0.515 nan 8.250 nan 0.000 0.439 75 G N 0.602 109.521 108.800 0.198 0.000 2.484 75 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 75 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 75 G C 1.275 176.231 174.900 0.095 0.000 1.130 75 G CA 0.066 45.251 45.100 0.141 0.000 0.784 75 G HN 0.218 nan 8.290 nan 0.000 0.543 76 F N 0.865 120.838 119.950 0.038 0.000 2.069 76 F HA -0.011 4.515 4.527 -0.001 0.000 0.298 76 F C 2.140 177.836 175.800 -0.173 0.000 1.113 76 F CA 1.538 59.479 58.000 -0.097 0.000 1.214 76 F CB -0.115 38.810 39.000 -0.126 0.000 0.978 76 F HN 0.130 nan 8.300 nan 0.000 0.474 77 F N 0.372 120.463 119.950 0.235 0.000 2.456 77 F HA -0.072 4.455 4.527 -0.001 0.000 0.298 77 F C 2.440 178.251 175.800 0.017 0.000 1.104 77 F CA 0.848 58.933 58.000 0.141 0.000 1.435 77 F CB -0.684 38.433 39.000 0.194 0.000 1.078 77 F HN 0.044 nan 8.300 nan 0.000 0.546 78 Q N 0.123 119.970 119.800 0.079 0.000 2.050 78 Q HA -0.186 4.153 4.340 -0.001 0.000 0.202 78 Q C 2.403 178.241 176.000 -0.269 0.000 0.980 78 Q CA 2.077 57.803 55.803 -0.129 0.000 0.840 78 Q CB -0.310 28.230 28.738 -0.330 0.000 0.898 78 Q HN 0.434 nan 8.270 nan 0.000 0.424 79 S N -0.017 115.436 115.700 -0.412 0.000 2.507 79 S HA -0.065 4.404 4.470 -0.001 0.000 0.235 79 S C 1.580 176.334 174.600 0.258 0.000 0.988 79 S CA 0.545 58.682 58.200 -0.106 0.000 0.944 79 S CB -0.004 63.179 63.200 -0.028 0.000 0.762 79 S HN 0.147 nan 8.310 nan 0.000 0.526 80 L N -0.102 121.180 121.223 0.098 0.000 2.492 80 L HA 0.371 4.710 4.340 -0.001 0.000 0.223 80 L C 0.722 177.910 176.870 0.531 0.000 1.132 80 L CA 0.230 55.202 54.840 0.219 0.000 0.850 80 L CB -0.504 41.551 42.059 -0.007 0.000 0.966 80 L HN 0.527 nan 8.230 nan 0.000 0.454 81 W N 2.416 123.871 121.300 0.258 0.000 2.478 81 W HA 0.323 4.983 4.660 -0.001 0.000 0.318 81 W C -2.171 174.321 176.519 -0.045 0.000 1.062 81 W CA -1.906 55.546 57.345 0.179 0.000 1.210 81 W CB 1.891 31.410 29.460 0.097 0.000 1.325 81 W HN -0.146 nan 8.180 nan 0.000 0.496 82 P HA 0.061 nan 4.420 nan 0.000 0.276 82 P C -0.411 176.730 177.300 -0.265 0.000 1.243 82 P CA 0.273 62.876 63.100 -0.828 0.000 0.768 82 P CB 1.279 32.514 31.700 -0.774 0.000 0.856 83 S N 1.544 117.115 115.700 -0.214 0.000 2.672 83 S HA 0.582 5.051 4.470 -0.001 0.000 0.276 83 S C 0.401 174.942 174.600 -0.098 0.000 1.207 83 S CA -0.542 57.622 58.200 -0.060 0.000 1.002 83 S CB 0.958 64.151 63.200 -0.011 0.000 0.998 83 S HN 0.626 nan 8.310 nan 0.000 0.542 84 A N 1.082 123.874 122.820 -0.045 0.000 2.371 84 A HA 0.387 4.707 4.320 -0.001 0.000 0.257 84 A C 1.335 178.886 177.584 -0.056 0.000 1.089 84 A CA -0.576 51.432 52.037 -0.048 0.000 0.794 84 A CB -0.052 18.935 19.000 -0.023 0.000 1.029 84 A HN 0.654 nan 8.150 nan 0.000 0.488 85 V N 1.983 121.861 119.914 -0.059 0.000 2.282 85 V HA -0.258 3.862 4.120 -0.001 0.000 0.249 85 V C 2.563 178.627 176.094 -0.049 0.000 1.057 85 V CA 2.456 64.719 62.300 -0.060 0.000 1.032 85 V CB -0.967 30.820 31.823 -0.061 0.000 0.645 85 V HN 1.014 nan 8.190 nan 0.000 0.447 86 E N 0.391 120.568 120.200 -0.038 0.000 2.331 86 E HA -0.222 4.127 4.350 -0.001 0.000 0.199 86 E C 1.131 177.715 176.600 -0.027 0.000 1.008 86 E CA 1.259 57.642 56.400 -0.029 0.000 0.843 86 E CB -0.564 29.123 29.700 -0.022 0.000 0.761 86 E HN 0.637 nan 8.360 nan 0.000 0.507 87 N N -0.206 118.476 118.700 -0.030 0.000 2.205 87 N HA 0.054 4.793 4.740 -0.001 0.000 0.201 87 N C -0.681 174.799 175.510 -0.049 0.000 1.128 87 N CA -0.026 53.008 53.050 -0.027 0.000 0.867 87 N CB 0.655 39.137 38.487 -0.008 0.000 0.996 87 N HN 0.082 nan 8.380 nan 0.000 0.503 88 c N 1.772 120.335 118.600 -0.061 0.000 2.321 88 c HA 0.392 4.961 4.570 -0.001 0.000 0.323 88 c C 0.078 174.124 174.090 -0.074 0.000 1.191 88 c CA -0.313 55.964 56.329 -0.087 0.000 1.455 88 c CB -0.945 41.512 42.510 -0.087 0.000 2.083 88 c HN 0.150 nan 8.230 nan 0.000 0.442 89 T N 8.712 123.220 114.554 -0.076 0.000 2.727 89 T HA 0.248 4.598 4.350 -0.001 0.000 0.295 89 T C -2.463 172.208 174.700 -0.048 0.000 0.915 89 T CA -0.327 61.740 62.100 -0.055 0.000 1.066 89 T CB 0.617 69.459 68.868 -0.045 0.000 0.891 89 T HN 0.550 nan 8.240 nan 0.000 0.516 90 P HA 0.084 nan 4.420 nan 0.000 0.263 90 P C -0.193 177.105 177.300 -0.002 0.000 1.195 90 P CA -0.159 62.924 63.100 -0.029 0.000 0.762 90 P CB 0.303 31.974 31.700 -0.049 0.000 0.799 91 N N 2.501 121.220 118.700 0.032 0.000 2.816 91 N HA 0.196 4.936 4.740 -0.001 0.000 0.236 91 N C 1.444 177.023 175.510 0.115 0.000 1.076 91 N CA -0.294 52.800 53.050 0.073 0.000 0.902 91 N CB -0.074 38.469 38.487 0.093 0.000 1.149 91 N HN 0.358 nan 8.380 nan 0.000 0.506 92 G N 0.771 109.626 108.800 0.092 0.000 2.462 92 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.220 92 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.220 92 G C 1.251 176.264 174.900 0.187 0.000 1.121 92 G CA 0.923 46.092 45.100 0.115 0.000 0.758 92 G HN 0.719 nan 8.290 nan 0.000 0.559 93 H N -0.261 118.860 119.070 0.085 0.000 2.357 93 H HA 0.029 4.585 4.556 -0.001 0.000 0.301 93 H C 2.304 177.676 175.328 0.072 0.000 1.082 93 H CA 1.332 57.422 56.048 0.070 0.000 1.342 93 H CB -0.111 29.672 29.762 0.035 0.000 1.389 93 H HN 0.231 nan 8.280 nan 0.000 0.511 94 L N 0.020 121.313 121.223 0.116 0.000 2.046 94 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 94 L C 2.365 179.235 176.870 0.000 0.000 1.077 94 L CA 1.866 56.732 54.840 0.044 0.000 0.747 94 L CB -1.056 41.083 42.059 0.134 0.000 0.896 94 L HN 0.543 nan 8.230 nan 0.000 0.432 95 W N 0.688 121.958 121.300 -0.051 0.000 2.317 95 W HA -0.300 4.359 4.660 -0.001 0.000 0.318 95 W C 2.133 178.616 176.519 -0.060 0.000 1.227 95 W CA 2.027 59.343 57.345 -0.048 0.000 1.269 95 W CB -0.438 29.012 29.460 -0.016 0.000 1.155 95 W HN 0.350 nan 8.180 nan 0.000 0.484 96 N N 0.510 119.245 118.700 0.058 0.000 2.166 96 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 96 N C 1.722 177.109 175.510 -0.204 0.000 1.019 96 N CA 1.904 54.931 53.050 -0.038 0.000 0.856 96 N CB -0.980 37.503 38.487 -0.006 0.000 0.993 96 N HN 0.079 nan 8.380 nan 0.000 0.426 97 V N 1.422 121.148 119.914 -0.314 0.000 2.307 97 V HA -0.168 3.951 4.120 -0.001 0.000 0.245 97 V C 2.352 178.279 176.094 -0.278 0.000 1.045 97 V CA 1.160 63.279 62.300 -0.302 0.000 1.024 97 V CB -0.343 31.275 31.823 -0.342 0.000 0.651 97 V HN 0.211 nan 8.190 nan 0.000 0.449 98 M N 0.306 119.680 119.600 -0.375 0.000 2.065 98 M HA -0.160 4.319 4.480 -0.001 0.000 0.259 98 M C 2.384 178.526 176.300 -0.263 0.000 1.069 98 M CA 2.105 57.123 55.300 -0.469 0.000 1.110 98 M CB -1.333 30.942 32.600 -0.542 0.000 1.328 98 M HN 0.564 nan 8.290 nan 0.000 0.405 99 I N -1.943 118.415 120.570 -0.353 0.000 2.439 99 I HA -0.094 4.075 4.170 -0.001 0.000 0.251 99 I C 2.082 178.239 176.117 0.067 0.000 1.139 99 I CA 1.457 62.672 61.300 -0.143 0.000 1.438 99 I CB -1.585 36.279 38.000 -0.226 0.000 1.085 99 I HN 0.071 nan 8.210 nan 0.000 0.427 100 T N 1.255 115.823 114.554 0.023 0.000 2.737 100 T HA -0.002 4.347 4.350 -0.001 0.000 0.265 100 T C 1.958 176.755 174.700 0.161 0.000 1.038 100 T CA 1.588 63.749 62.100 0.101 0.000 1.144 100 T CB -1.034 67.856 68.868 0.037 0.000 0.866 100 T HN 0.621 nan 8.240 nan 0.000 0.434 101 G N 0.836 109.730 108.800 0.156 0.000 2.433 101 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.216 101 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.216 101 G C 1.302 176.442 174.900 0.400 0.000 1.186 101 G CA 1.379 46.667 45.100 0.312 0.000 0.779 101 G HN 0.600 nan 8.290 nan 0.000 0.543 102 H N 0.958 120.250 119.070 0.369 0.000 2.289 102 H HA -0.075 4.480 4.556 -0.001 0.000 0.294 102 H C 2.644 178.027 175.328 0.092 0.000 1.095 102 H CA 2.428 58.611 56.048 0.226 0.000 1.256 102 H CB -0.776 29.097 29.762 0.186 0.000 1.359 102 H HN 0.232 nan 8.280 nan 0.000 0.487 103 G N 0.234 108.962 108.800 -0.120 0.000 2.421 103 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.216 103 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.216 103 G C 1.956 176.769 174.900 -0.145 0.000 1.171 103 G CA 1.026 45.948 45.100 -0.298 0.000 0.775 103 G HN 0.491 nan 8.290 nan 0.000 0.543 104 I N 0.381 121.058 120.570 0.180 0.000 2.252 104 I HA -0.105 4.065 4.170 -0.001 0.000 0.245 104 I C 2.728 179.090 176.117 0.408 0.000 1.102 104 I CA 0.561 62.104 61.300 0.406 0.000 1.385 104 I CB -0.178 38.076 38.000 0.423 0.000 1.064 104 I HN 0.124 nan 8.210 nan 0.000 0.414 105 L N -0.472 120.937 121.223 0.310 0.000 2.012 105 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 105 L C 2.713 179.674 176.870 0.152 0.000 1.073 105 L CA 1.180 56.217 54.840 0.328 0.000 0.748 105 L CB -0.488 41.660 42.059 0.149 0.000 0.891 105 L HN 0.286 nan 8.230 nan 0.000 0.431 106 M N -1.091 118.462 119.600 -0.078 0.000 2.086 106 M HA -0.181 4.298 4.480 -0.001 0.000 0.261 106 M C 2.235 178.369 176.300 -0.277 0.000 1.067 106 M CA 1.806 56.983 55.300 -0.205 0.000 1.116 106 M CB -0.793 31.575 32.600 -0.387 0.000 1.348 106 M HN 0.246 nan 8.290 nan 0.000 0.407 107 M N -1.891 117.459 119.600 -0.417 0.000 2.447 107 M HA 0.002 4.482 4.480 -0.001 0.000 0.264 107 M C 1.467 177.323 176.300 -0.740 0.000 1.095 107 M CA 1.144 56.037 55.300 -0.678 0.000 1.125 107 M CB -0.750 31.207 32.600 -1.072 0.000 1.389 107 M HN 0.128 nan 8.290 nan 0.000 0.459 108 F N -2.167 117.611 119.950 -0.286 0.000 2.711 108 F HA 0.172 4.698 4.527 -0.001 0.000 0.296 108 F C 1.076 176.499 175.800 -0.629 0.000 1.096 108 F CA 0.158 57.815 58.000 -0.572 0.000 1.280 108 F CB 0.225 38.645 39.000 -0.967 0.000 1.060 108 F HN -0.115 nan 8.300 nan 0.000 0.608 109 F N -1.621 118.495 119.950 0.277 0.000 2.772 109 F HA 0.339 4.865 4.527 -0.001 0.000 0.316 109 F C 0.911 176.887 175.800 0.293 0.000 1.114 109 F CA -0.175 58.059 58.000 0.389 0.000 1.191 109 F CB -0.064 39.141 39.000 0.342 0.000 1.065 109 F HN -0.283 nan 8.300 nan 0.000 0.534 110 V N -1.212 118.829 119.914 0.212 0.000 3.668 110 V HA -0.012 4.108 4.120 -0.001 0.000 0.199 110 V C 1.991 178.098 176.094 0.022 0.000 1.241 110 V CA 0.862 63.238 62.300 0.127 0.000 1.308 110 V CB -0.104 31.755 31.823 0.061 0.000 1.411 110 V HN -0.036 nan 8.190 nan 0.000 0.535 111 V N -0.634 119.246 119.914 -0.056 0.000 2.379 111 V HA -0.076 4.044 4.120 -0.001 0.000 0.245 111 V C 2.130 178.188 176.094 -0.061 0.000 1.044 111 V CA 1.890 64.146 62.300 -0.074 0.000 1.036 111 V CB -0.747 31.006 31.823 -0.118 0.000 0.664 111 V HN 0.467 nan 8.190 nan 0.000 0.453 112 I N 0.577 121.085 120.570 -0.103 0.000 2.202 112 I HA -0.052 4.118 4.170 -0.001 0.000 0.242 112 I C 0.077 176.150 176.117 -0.074 0.000 1.091 112 I CA 1.441 62.686 61.300 -0.091 0.000 1.368 112 I CB -1.676 36.222 38.000 -0.171 0.000 1.058 112 I HN 0.313 nan 8.210 nan 0.000 0.410 113 P HA -0.227 nan 4.420 nan 0.000 0.217 113 P C 1.425 178.647 177.300 -0.131 0.000 1.151 113 P CA 2.039 64.989 63.100 -0.250 0.000 0.849 113 P CB -0.020 31.433 31.700 -0.412 0.000 0.787 114 A N -1.371 121.420 122.820 -0.048 0.000 1.872 114 A HA -0.088 4.231 4.320 -0.001 0.000 0.214 114 A C 2.186 179.753 177.584 -0.029 0.000 1.187 114 A CA 1.301 53.306 52.037 -0.052 0.000 0.614 114 A CB -1.404 17.578 19.000 -0.030 0.000 0.826 114 A HN 0.111 nan 8.150 nan 0.000 0.442 115 L N -2.810 118.473 121.223 0.101 0.000 2.102 115 L HA 0.064 4.403 4.340 -0.001 0.000 0.202 115 L C 2.385 179.440 176.870 0.308 0.000 1.076 115 L CA 1.061 56.080 54.840 0.297 0.000 0.761 115 L CB -0.343 41.874 42.059 0.263 0.000 0.921 115 L HN 0.469 nan 8.230 nan 0.000 0.444 116 F N 0.281 120.229 119.950 -0.003 0.000 2.188 116 F HA 0.105 4.631 4.527 -0.001 0.000 0.289 116 F C 2.197 177.893 175.800 -0.175 0.000 1.082 116 F CA 1.317 59.280 58.000 -0.063 0.000 1.282 116 F CB -0.432 38.496 39.000 -0.120 0.000 1.060 116 F HN -0.071 nan 8.300 nan 0.000 0.493 117 G N -0.576 108.036 108.800 -0.313 0.000 2.430 117 G HA2 0.015 3.974 3.960 -0.001 0.000 0.216 117 G HA3 0.015 3.974 3.960 -0.001 0.000 0.216 117 G C 1.647 176.268 174.900 -0.465 0.000 1.146 117 G CA 0.649 45.202 45.100 -0.913 0.000 0.793 117 G HN 0.608 nan 8.290 nan 0.000 0.537 118 G N 0.584 109.260 108.800 -0.207 0.000 2.670 118 G HA2 0.140 4.099 3.960 -0.001 0.000 0.219 118 G HA3 0.140 4.099 3.960 -0.001 0.000 0.219 118 G C 1.335 176.204 174.900 -0.052 0.000 1.342 118 G CA 0.305 45.325 45.100 -0.133 0.000 0.902 118 G HN 0.162 nan 8.290 nan 0.000 0.553 119 F N 2.105 122.168 119.950 0.188 0.000 2.269 119 F HA 0.080 4.607 4.527 -0.001 0.000 0.301 119 F C 2.831 178.864 175.800 0.389 0.000 1.082 119 F CA 0.644 58.807 58.000 0.272 0.000 1.360 119 F CB -0.778 38.404 39.000 0.304 0.000 1.041 119 F HN 0.221 nan 8.300 nan 0.000 0.512 120 G N -0.115 108.947 108.800 0.438 0.000 2.404 120 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.215 120 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.215 120 G C 1.770 176.681 174.900 0.019 0.000 1.174 120 G CA 0.779 45.975 45.100 0.160 0.000 0.780 120 G HN 0.232 nan 8.290 nan 0.000 0.537 121 N N -0.468 118.202 118.700 -0.050 0.000 2.106 121 N HA -0.095 4.644 4.740 -0.001 0.000 0.188 121 N C 1.879 177.446 175.510 0.096 0.000 1.029 121 N CA 0.882 53.922 53.050 -0.017 0.000 0.848 121 N CB -0.408 38.081 38.487 0.003 0.000 1.007 121 N HN 0.367 nan 8.380 nan 0.000 0.423 122 Y N -0.120 120.153 120.300 -0.045 0.000 2.163 122 Y HA -0.099 4.451 4.550 -0.001 0.000 0.288 122 Y C 1.543 177.159 175.900 -0.473 0.000 1.136 122 Y CA 1.538 59.480 58.100 -0.264 0.000 1.147 122 Y CB -0.242 37.925 38.460 -0.489 0.000 0.987 122 Y HN -0.053 nan 8.280 nan 0.000 0.509 123 F N -2.527 117.444 119.950 0.034 0.000 2.717 123 F HA 0.030 4.556 4.527 -0.001 0.000 0.297 123 F C 2.180 177.777 175.800 -0.338 0.000 1.113 123 F CA 0.147 57.949 58.000 -0.331 0.000 1.319 123 F CB -0.258 38.220 39.000 -0.871 0.000 1.097 123 F HN -0.022 nan 8.300 nan 0.000 0.595 124 M N 1.405 121.077 119.600 0.120 0.000 2.132 124 M HA -0.049 4.430 4.480 -0.001 0.000 0.263 124 M C -1.042 175.255 176.300 -0.005 0.000 1.065 124 M CA 2.021 57.404 55.300 0.138 0.000 1.122 124 M CB -1.547 31.116 32.600 0.107 0.000 1.365 124 M HN -0.088 nan 8.290 nan 0.000 0.411 125 P HA -0.107 nan 4.420 nan 0.000 0.215 125 P C 1.857 179.047 177.300 -0.185 0.000 1.157 125 P CA 1.231 64.140 63.100 -0.319 0.000 0.863 125 P CB -0.259 30.938 31.700 -0.839 0.000 0.787 126 L N -1.288 119.837 121.223 -0.164 0.000 2.013 126 L HA -0.251 4.088 4.340 -0.001 0.000 0.212 126 L C 2.547 179.494 176.870 0.129 0.000 1.073 126 L CA 1.923 56.746 54.840 -0.028 0.000 0.753 126 L CB -1.423 40.614 42.059 -0.037 0.000 0.890 126 L HN 0.168 nan 8.230 nan 0.000 0.432 127 H N -0.154 119.028 119.070 0.186 0.000 2.456 127 H HA -0.121 4.434 4.556 -0.001 0.000 0.296 127 H C 2.102 177.511 175.328 0.135 0.000 1.079 127 H CA 1.358 57.552 56.048 0.244 0.000 1.322 127 H CB 0.019 30.024 29.762 0.405 0.000 1.388 127 H HN 0.508 nan 8.280 nan 0.000 0.538 128 I N -3.684 116.979 120.570 0.154 0.000 3.956 128 I HA 0.379 4.549 4.170 -0.001 0.000 0.333 128 I C 1.277 177.372 176.117 -0.036 0.000 1.302 128 I CA 0.419 61.716 61.300 -0.005 0.000 1.122 128 I CB 0.721 38.630 38.000 -0.152 0.000 1.013 128 I HN 0.142 nan 8.210 nan 0.000 0.405 129 G N 1.925 110.724 108.800 -0.002 0.000 2.198 129 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.257 129 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.257 129 G C 0.216 175.081 174.900 -0.058 0.000 1.042 129 G CA 0.093 45.182 45.100 -0.018 0.000 0.791 129 G HN 0.939 nan 8.290 nan 0.000 0.502 130 A N -0.211 122.552 122.820 -0.095 0.000 2.310 130 A HA 0.846 5.165 4.320 -0.001 0.000 0.299 130 A C -0.356 177.157 177.584 -0.119 0.000 1.147 130 A CA -0.955 51.009 52.037 -0.121 0.000 0.818 130 A CB 1.129 20.032 19.000 -0.161 0.000 1.096 130 A HN 0.077 nan 8.150 nan 0.000 0.495 131 P HA 0.025 nan 4.420 nan 0.000 0.218 131 P C 0.078 177.368 177.300 -0.017 0.000 1.152 131 P CA 1.170 64.250 63.100 -0.033 0.000 0.826 131 P CB 0.381 32.072 31.700 -0.016 0.000 0.790 132 D N -3.450 116.905 120.400 -0.075 0.000 2.851 132 D HA 0.210 4.849 4.640 -0.001 0.000 0.339 132 D C -0.707 175.503 176.300 -0.149 0.000 1.347 132 D CA -0.510 53.460 54.000 -0.050 0.000 0.888 132 D CB 0.751 41.570 40.800 0.033 0.000 1.431 132 D HN -0.342 nan 8.370 nan 0.000 0.509 133 M N 1.186 120.725 119.600 -0.102 0.000 2.240 133 M HA 0.288 4.768 4.480 -0.001 0.000 0.333 133 M C 1.330 177.544 176.300 -0.143 0.000 1.110 133 M CA -0.056 55.183 55.300 -0.101 0.000 1.173 133 M CB 0.561 33.150 32.600 -0.018 0.000 1.458 133 M HN 0.602 nan 8.290 nan 0.000 0.458 134 A N 2.745 125.414 122.820 -0.252 0.000 1.948 134 A HA -0.118 4.201 4.320 -0.001 0.000 0.220 134 A C 0.538 177.657 177.584 -0.774 0.000 1.177 134 A CA 1.690 53.372 52.037 -0.591 0.000 0.636 134 A CB -0.414 18.071 19.000 -0.858 0.000 0.815 134 A HN 0.644 nan 8.150 nan 0.000 0.449 135 F N -1.749 118.216 119.950 0.026 0.000 2.550 135 F HA 0.372 4.898 4.527 -0.001 0.000 0.348 135 F C -2.122 173.707 175.800 0.049 0.000 1.219 135 F CA -2.222 55.801 58.000 0.038 0.000 1.203 135 F CB 1.166 40.191 39.000 0.043 0.000 1.436 135 F HN -0.024 nan 8.300 nan 0.000 0.541 136 P HA -0.143 nan 4.420 nan 0.000 0.218 136 P C 1.476 178.860 177.300 0.141 0.000 1.148 136 P CA 1.586 64.754 63.100 0.114 0.000 0.822 136 P CB 0.220 31.959 31.700 0.066 0.000 0.784 137 R N -1.508 119.086 120.500 0.157 0.000 2.090 137 R HA 0.074 4.413 4.340 -0.001 0.000 0.228 137 R C 2.416 178.819 176.300 0.172 0.000 1.110 137 R CA 0.970 57.161 56.100 0.153 0.000 0.973 137 R CB -0.723 29.655 30.300 0.131 0.000 0.869 137 R HN 0.210 nan 8.270 nan 0.000 0.440 138 M N 0.992 120.703 119.600 0.184 0.000 2.149 138 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 138 M C 1.749 178.170 176.300 0.202 0.000 1.064 138 M CA 1.510 56.912 55.300 0.170 0.000 1.102 138 M CB -0.127 32.566 32.600 0.155 0.000 1.369 138 M HN 0.060 nan 8.290 nan 0.000 0.408 139 N N 0.691 119.517 118.700 0.209 0.000 2.188 139 N HA -0.170 4.569 4.740 -0.001 0.000 0.184 139 N C 1.276 176.931 175.510 0.242 0.000 1.018 139 N CA 1.590 54.771 53.050 0.218 0.000 0.858 139 N CB -0.412 38.179 38.487 0.172 0.000 0.989 139 N HN 0.443 nan 8.380 nan 0.000 0.426 140 N N -0.328 118.504 118.700 0.220 0.000 2.188 140 N HA -0.105 4.634 4.740 -0.001 0.000 0.184 140 N C 1.652 177.380 175.510 0.365 0.000 1.018 140 N CA 0.727 53.931 53.050 0.257 0.000 0.858 140 N CB -0.281 38.358 38.487 0.254 0.000 0.989 140 N HN 0.164 nan 8.380 nan 0.000 0.426 141 L N 0.785 122.201 121.223 0.322 0.000 1.994 141 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 141 L C 2.429 179.496 176.870 0.328 0.000 1.071 141 L CA 2.313 57.350 54.840 0.329 0.000 0.745 141 L CB -1.474 40.718 42.059 0.221 0.000 0.892 141 L HN 0.420 nan 8.230 nan 0.000 0.431 142 S N -1.277 114.604 115.700 0.301 0.000 2.380 142 S HA -0.377 4.093 4.470 -0.001 0.000 0.229 142 S C 2.177 177.007 174.600 0.383 0.000 1.043 142 S CA 1.788 60.189 58.200 0.336 0.000 1.038 142 S CB -1.479 61.933 63.200 0.354 0.000 0.872 142 S HN 0.626 nan 8.310 nan 0.000 0.456 143 Y N 0.625 121.028 120.300 0.173 0.000 2.224 143 Y HA -0.039 4.510 4.550 -0.001 0.000 0.289 143 Y C 1.919 177.760 175.900 -0.099 0.000 1.146 143 Y CA 1.325 59.324 58.100 -0.169 0.000 1.182 143 Y CB -0.623 37.520 38.460 -0.528 0.000 0.983 143 Y HN 0.340 nan 8.280 nan 0.000 0.524 144 W N 0.035 121.367 121.300 0.052 0.000 2.418 144 W HA -0.096 4.563 4.660 -0.001 0.000 0.292 144 W C 2.158 178.650 176.519 -0.044 0.000 1.213 144 W CA 0.893 58.211 57.345 -0.045 0.000 1.283 144 W CB -0.284 29.223 29.460 0.077 0.000 1.119 144 W HN 0.020 nan 8.180 nan 0.000 0.542 145 L N -0.722 120.661 121.223 0.267 0.000 2.079 145 L HA -0.282 4.058 4.340 -0.001 0.000 0.210 145 L C 2.398 179.408 176.870 0.234 0.000 1.081 145 L CA 1.419 56.395 54.840 0.227 0.000 0.752 145 L CB -1.105 41.095 42.059 0.236 0.000 0.896 145 L HN 0.109 nan 8.230 nan 0.000 0.433 146 Y N 0.407 120.761 120.300 0.090 0.000 2.145 146 Y HA -0.191 4.359 4.550 -0.001 0.000 0.286 146 Y C 2.315 178.228 175.900 0.021 0.000 1.145 146 Y CA 1.469 59.647 58.100 0.130 0.000 1.148 146 Y CB -0.597 37.946 38.460 0.138 0.000 0.981 146 Y HN -0.144 nan 8.280 nan 0.000 0.507 147 V N 0.969 120.561 119.914 -0.537 0.000 2.343 147 V HA -0.295 3.824 4.120 -0.001 0.000 0.247 147 V C 2.761 178.723 176.094 -0.219 0.000 1.051 147 V CA 1.818 63.797 62.300 -0.534 0.000 1.036 147 V CB -1.697 29.879 31.823 -0.413 0.000 0.654 147 V HN 0.578 nan 8.190 nan 0.000 0.451 148 A N 0.622 123.417 122.820 -0.042 0.000 1.855 148 A HA -0.053 4.266 4.320 -0.001 0.000 0.215 148 A C 2.467 180.042 177.584 -0.015 0.000 1.191 148 A CA 1.880 53.922 52.037 0.009 0.000 0.613 148 A CB -1.385 17.658 19.000 0.072 0.000 0.829 148 A HN 0.503 nan 8.150 nan 0.000 0.442 149 G N -0.695 108.142 108.800 0.061 0.000 2.529 149 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.219 149 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.219 149 G C 1.598 176.278 174.900 -0.367 0.000 1.177 149 G CA 1.875 47.051 45.100 0.127 0.000 0.773 149 G HN 0.438 nan 8.290 nan 0.000 0.573 150 T N 1.124 115.301 114.554 -0.629 0.000 2.720 150 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 150 T C 2.811 177.221 174.700 -0.483 0.000 1.037 150 T CA 1.610 63.147 62.100 -0.937 0.000 1.144 150 T CB -0.308 68.166 68.868 -0.655 0.000 0.864 150 T HN 0.269 nan 8.240 nan 0.000 0.444 151 S N 1.123 116.659 115.700 -0.272 0.000 2.368 151 S HA 0.068 4.537 4.470 -0.001 0.000 0.225 151 S C 2.026 176.588 174.600 -0.064 0.000 1.030 151 S CA 0.783 58.907 58.200 -0.126 0.000 0.999 151 S CB -0.400 62.756 63.200 -0.073 0.000 0.844 151 S HN 0.363 nan 8.310 nan 0.000 0.459 152 L N 1.010 122.200 121.223 -0.055 0.000 2.056 152 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 152 L C 2.811 179.693 176.870 0.020 0.000 1.078 152 L CA 1.093 55.951 54.840 0.031 0.000 0.749 152 L CB -0.742 41.377 42.059 0.101 0.000 0.901 152 L HN 0.318 nan 8.230 nan 0.000 0.433 153 A N -0.168 122.599 122.820 -0.089 0.000 1.908 153 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 153 A C 2.294 179.884 177.584 0.010 0.000 1.181 153 A CA 1.977 53.978 52.037 -0.060 0.000 0.627 153 A CB -0.834 18.023 19.000 -0.238 0.000 0.818 153 A HN 0.215 nan 8.150 nan 0.000 0.445 154 V N -0.361 119.551 119.914 -0.002 0.000 2.548 154 V HA -0.171 3.949 4.120 -0.001 0.000 0.249 154 V C 2.987 179.223 176.094 0.236 0.000 1.055 154 V CA 1.661 64.036 62.300 0.125 0.000 1.065 154 V CB -1.109 30.782 31.823 0.113 0.000 0.681 154 V HN 0.619 nan 8.190 nan 0.000 0.462 155 A N 0.886 123.810 122.820 0.173 0.000 1.933 155 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 155 A C 2.562 180.265 177.584 0.198 0.000 1.175 155 A CA 2.092 54.261 52.037 0.219 0.000 0.628 155 A CB -0.779 18.311 19.000 0.150 0.000 0.814 155 A HN 0.678 nan 8.150 nan 0.000 0.444 156 S N 0.227 115.998 115.700 0.120 0.000 2.419 156 S HA -0.127 4.342 4.470 -0.001 0.000 0.235 156 S C 1.770 176.366 174.600 -0.006 0.000 1.019 156 S CA 1.499 59.734 58.200 0.059 0.000 0.982 156 S CB -0.785 62.445 63.200 0.049 0.000 0.789 156 S HN 0.478 nan 8.310 nan 0.000 0.490 157 L N -1.134 120.059 121.223 -0.050 0.000 2.275 157 L HA 0.106 4.446 4.340 -0.001 0.000 0.215 157 L C 1.495 178.075 176.870 -0.483 0.000 1.119 157 L CA 1.054 55.714 54.840 -0.301 0.000 0.790 157 L CB -0.437 41.349 42.059 -0.456 0.000 0.919 157 L HN 0.316 nan 8.230 nan 0.000 0.443 158 F N -0.533 119.434 119.950 0.028 0.000 2.682 158 F HA 0.365 4.892 4.527 -0.001 0.000 0.308 158 F C 1.223 177.017 175.800 -0.009 0.000 1.093 158 F CA -0.544 57.469 58.000 0.023 0.000 1.244 158 F CB -0.034 38.987 39.000 0.036 0.000 1.052 158 F HN -0.159 nan 8.300 nan 0.000 0.573 159 A N 0.878 123.738 122.820 0.067 0.000 2.316 159 A HA 0.547 4.867 4.320 -0.001 0.000 0.284 159 A C -2.384 175.064 177.584 -0.226 0.000 1.115 159 A CA -1.607 50.363 52.037 -0.111 0.000 0.812 159 A CB -0.200 18.690 19.000 -0.184 0.000 1.064 159 A HN -0.115 nan 8.150 nan 0.000 0.489 160 P HA 0.177 nan 4.420 nan 0.000 0.260 160 P C 0.493 177.630 177.300 -0.271 0.000 1.185 160 P CA 1.099 64.031 63.100 -0.280 0.000 0.763 160 P CB 0.671 32.200 31.700 -0.286 0.000 0.776 161 G N 2.302 111.022 108.800 -0.134 0.000 3.214 161 G HA2 0.591 4.551 3.960 -0.001 0.000 0.188 161 G HA3 0.591 4.551 3.960 -0.001 0.000 0.188 161 G C -0.188 174.668 174.900 -0.073 0.000 1.126 161 G CA -0.416 44.643 45.100 -0.069 0.000 0.796 161 G HN 0.553 nan 8.290 nan 0.000 0.631 162 G N -0.508 108.284 108.800 -0.013 0.000 2.491 162 G HA2 0.348 4.307 3.960 -0.001 0.000 0.242 162 G HA3 0.348 4.307 3.960 -0.001 0.000 0.242 162 G C 0.392 175.059 174.900 -0.388 0.000 1.266 162 G CA 0.557 45.605 45.100 -0.088 0.000 0.844 162 G HN 0.869 nan 8.290 nan 0.000 0.571 163 N N -0.193 118.376 118.700 -0.217 0.000 2.725 163 N HA -0.234 4.506 4.740 -0.001 0.000 0.249 163 N C 1.364 176.757 175.510 -0.194 0.000 1.103 163 N CA 1.659 54.587 53.050 -0.204 0.000 0.707 163 N CB -1.282 37.067 38.487 -0.229 0.000 1.043 163 N HN 1.941 nan 8.380 nan 0.000 0.553 164 G N -0.555 108.154 108.800 -0.152 0.000 2.225 164 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.267 164 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.267 164 G C 0.058 174.886 174.900 -0.120 0.000 1.024 164 G CA 1.191 46.227 45.100 -0.106 0.000 0.784 164 G HN 0.623 nan 8.290 nan 0.000 0.507 165 Q N -1.602 118.076 119.800 -0.202 0.000 2.712 165 Q HA 0.762 5.101 4.340 -0.001 0.000 0.267 165 Q C 0.426 176.381 176.000 -0.074 0.000 1.062 165 Q CA -1.114 54.601 55.803 -0.146 0.000 0.888 165 Q CB 1.205 29.807 28.738 -0.226 0.000 1.374 165 Q HN 0.297 nan 8.270 nan 0.000 0.498 166 L N 0.353 121.583 121.223 0.013 0.000 2.357 166 L HA 0.694 5.033 4.340 -0.001 0.000 0.273 166 L C 0.471 177.396 176.870 0.093 0.000 1.080 166 L CA -0.339 54.513 54.840 0.020 0.000 0.803 166 L CB 0.864 42.936 42.059 0.020 0.000 1.174 166 L HN 0.855 nan 8.230 nan 0.000 0.443 167 G N 1.553 110.373 108.800 0.034 0.000 2.690 167 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.686 167 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.686 167 G C -0.735 174.215 174.900 0.084 0.000 1.277 167 G CA -0.891 44.215 45.100 0.009 0.000 0.799 167 G HN 0.531 nan 8.290 nan 0.000 0.613 168 S N 0.270 115.964 115.700 -0.009 0.000 2.422 168 S HA 0.599 5.069 4.470 -0.001 0.000 0.298 168 S C 0.813 175.363 174.600 -0.084 0.000 1.118 168 S CA 0.228 58.428 58.200 0.001 0.000 1.083 168 S CB 1.652 64.850 63.200 -0.004 0.000 0.971 168 S HN 1.731 nan 8.310 nan 0.000 0.478 169 G N 2.411 111.147 108.800 -0.107 0.000 3.964 169 G HA2 0.452 4.411 3.960 -0.001 0.000 0.289 169 G HA3 0.452 4.411 3.960 -0.001 0.000 0.289 169 G C 0.482 175.368 174.900 -0.023 0.000 1.176 169 G CA -0.556 44.444 45.100 -0.166 0.000 1.553 169 G HN 0.851 nan 8.290 nan 0.000 0.588 170 I N -1.593 118.971 120.570 -0.011 0.000 4.338 170 I HA 0.526 4.695 4.170 -0.001 0.000 0.329 170 I C 0.740 176.850 176.117 -0.013 0.000 1.378 170 I CA -0.214 61.086 61.300 0.001 0.000 1.170 170 I CB 0.359 38.354 38.000 -0.009 0.000 1.206 170 I HN 0.400 nan 8.210 nan 0.000 0.432 171 G N 2.289 111.097 108.800 0.014 0.000 2.728 171 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.686 171 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.686 171 G C 0.059 174.978 174.900 0.032 0.000 1.337 171 G CA -0.009 45.107 45.100 0.026 0.000 0.861 171 G HN 0.673 nan 8.290 nan 0.000 0.597 172 W N 1.405 122.683 121.300 -0.036 0.000 2.468 172 W HA 0.015 4.675 4.660 -0.001 0.000 0.262 172 W C 1.418 177.930 176.519 -0.010 0.000 1.241 172 W CA 1.874 59.216 57.345 -0.005 0.000 1.232 172 W CB -1.100 28.351 29.460 -0.016 0.000 1.124 172 W HN 1.095 nan 8.180 nan 0.000 0.597 173 V N -0.455 119.000 119.914 -0.765 0.000 3.647 173 V HA 0.168 4.287 4.120 -0.001 0.000 0.279 173 V C 1.395 177.357 176.094 -0.220 0.000 1.314 173 V CA 0.190 61.999 62.300 -0.818 0.000 1.125 173 V CB -1.152 30.023 31.823 -1.080 0.000 0.907 173 V HN 0.178 nan 8.190 nan 0.000 0.434 174 L N -1.232 119.898 121.223 -0.155 0.000 3.660 174 L HA -0.214 4.125 4.340 -0.001 0.000 0.440 174 L C -0.155 176.661 176.870 -0.091 0.000 1.262 174 L CA 0.054 54.842 54.840 -0.087 0.000 0.837 174 L CB -2.721 39.280 42.059 -0.097 0.000 1.689 174 L HN 0.306 nan 8.230 nan 0.000 0.890 175 Y N 1.280 121.470 120.300 -0.183 0.000 2.717 175 Y HA 0.217 4.766 4.550 -0.001 0.000 0.330 175 Y C -1.181 174.538 175.900 -0.302 0.000 1.217 175 Y CA -2.175 55.794 58.100 -0.218 0.000 1.506 175 Y CB -0.011 38.424 38.460 -0.042 0.000 1.268 175 Y HN 0.127 nan 8.280 nan 0.000 0.561 176 P HA 0.254 nan 4.420 nan 0.000 0.281 176 P C -2.341 174.926 177.300 -0.055 0.000 1.264 176 P CA -2.071 60.914 63.100 -0.190 0.000 0.824 176 P CB 1.256 32.796 31.700 -0.267 0.000 1.092 177 P HA 0.010 nan 4.420 nan 0.000 0.237 177 P C 1.504 178.813 177.300 0.016 0.000 1.178 177 P CA 0.138 63.253 63.100 0.026 0.000 0.766 177 P CB -0.139 31.590 31.700 0.048 0.000 0.876 178 L N 0.942 122.178 121.223 0.022 0.000 1.989 178 L HA -0.222 4.118 4.340 -0.001 0.000 0.211 178 L C 2.286 179.156 176.870 0.001 0.000 1.071 178 L CA 2.605 57.461 54.840 0.026 0.000 0.749 178 L CB -1.449 40.639 42.059 0.048 0.000 0.890 178 L HN 0.042 nan 8.230 nan 0.000 0.431 179 S N -2.122 113.555 115.700 -0.037 0.000 2.383 179 S HA -0.176 4.293 4.470 -0.001 0.000 0.227 179 S C 1.861 176.431 174.600 -0.049 0.000 1.026 179 S CA 1.340 59.502 58.200 -0.063 0.000 0.981 179 S CB -1.486 61.631 63.200 -0.138 0.000 0.818 179 S HN 0.678 nan 8.310 nan 0.000 0.472 180 T N -0.007 114.524 114.554 -0.038 0.000 3.085 180 T HA 0.110 4.459 4.350 -0.001 0.000 0.263 180 T C 1.764 176.466 174.700 0.003 0.000 1.127 180 T CA 0.874 62.971 62.100 -0.004 0.000 1.103 180 T CB -0.368 68.524 68.868 0.039 0.000 0.921 180 T HN 0.623 nan 8.240 nan 0.000 0.510 181 S N -0.204 115.500 115.700 0.006 0.000 2.523 181 S HA 0.232 4.701 4.470 -0.001 0.000 0.217 181 S C 0.402 175.007 174.600 0.009 0.000 0.996 181 S CA -0.477 57.728 58.200 0.009 0.000 0.921 181 S CB -0.226 62.984 63.200 0.017 0.000 0.829 181 S HN 0.461 nan 8.310 nan 0.000 0.495 182 E N 3.821 124.026 120.200 0.009 0.000 2.493 182 E HA 0.173 4.522 4.350 -0.001 0.000 0.255 182 E C 0.309 176.912 176.600 0.004 0.000 0.999 182 E CA 0.046 56.456 56.400 0.016 0.000 0.934 182 E CB 0.333 30.047 29.700 0.023 0.000 0.940 182 E HN 0.517 nan 8.360 nan 0.000 0.473 183 S N 3.327 119.025 115.700 -0.003 0.000 2.600 183 S HA 0.649 5.119 4.470 -0.001 0.000 0.265 183 S C 0.897 175.485 174.600 -0.019 0.000 1.325 183 S CA -0.371 57.823 58.200 -0.010 0.000 1.002 183 S CB 1.042 64.230 63.200 -0.019 0.000 0.921 183 S HN 1.171 nan 8.310 nan 0.000 0.554 184 G N 0.793 109.590 108.800 -0.004 0.000 2.681 184 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.220 184 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.220 184 G C -0.187 174.739 174.900 0.044 0.000 1.353 184 G CA 0.264 45.352 45.100 -0.021 0.000 0.872 184 G HN 1.911 nan 8.290 nan 0.000 0.557 185 Y N -2.229 118.078 120.300 0.011 0.000 2.527 185 Y HA 0.608 5.157 4.550 -0.001 0.000 0.247 185 Y C 2.406 178.315 175.900 0.015 0.000 1.138 185 Y CA 0.892 58.997 58.100 0.008 0.000 1.228 185 Y CB -0.320 38.157 38.460 0.028 0.000 1.252 185 Y HN 0.881 nan 8.280 nan 0.000 0.531 186 S N 1.019 116.605 115.700 -0.189 0.000 2.380 186 S HA -0.261 4.208 4.470 -0.001 0.000 0.229 186 S C 1.798 176.390 174.600 -0.013 0.000 1.043 186 S CA 2.676 60.820 58.200 -0.094 0.000 1.038 186 S CB -0.713 62.426 63.200 -0.102 0.000 0.872 186 S HN 0.666 nan 8.310 nan 0.000 0.456 187 T N 1.737 116.278 114.554 -0.021 0.000 2.867 187 T HA -0.055 4.294 4.350 -0.001 0.000 0.268 187 T C 1.400 176.050 174.700 -0.083 0.000 1.057 187 T CA 1.328 63.405 62.100 -0.038 0.000 1.136 187 T CB -0.446 68.400 68.868 -0.037 0.000 0.874 187 T HN 0.518 nan 8.240 nan 0.000 0.466 188 D N 1.247 121.600 120.400 -0.078 0.000 2.144 188 D HA 0.006 4.645 4.640 -0.001 0.000 0.200 188 D C 2.151 178.254 176.300 -0.329 0.000 0.978 188 D CA 0.759 54.608 54.000 -0.250 0.000 0.833 188 D CB -0.149 40.575 40.800 -0.126 0.000 0.961 188 D HN 0.337 nan 8.370 nan 0.000 0.470 189 L N 0.986 122.224 121.223 0.025 0.000 2.083 189 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 189 L C 2.660 179.591 176.870 0.102 0.000 1.083 189 L CA 0.903 55.852 54.840 0.182 0.000 0.752 189 L CB -0.384 41.810 42.059 0.224 0.000 0.899 189 L HN -0.029 nan 8.230 nan 0.000 0.433 190 A N 0.277 123.110 122.820 0.022 0.000 1.933 190 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 190 A C 2.194 179.753 177.584 -0.041 0.000 1.175 190 A CA 1.398 53.443 52.037 0.014 0.000 0.628 190 A CB -0.576 18.426 19.000 0.002 0.000 0.814 190 A HN 0.352 nan 8.150 nan 0.000 0.444 191 I N -1.559 118.927 120.570 -0.141 0.000 2.252 191 I HA -0.219 3.950 4.170 -0.001 0.000 0.245 191 I C 2.161 178.243 176.117 -0.057 0.000 1.102 191 I CA 1.111 62.290 61.300 -0.202 0.000 1.385 191 I CB -0.368 37.461 38.000 -0.286 0.000 1.064 191 I HN 0.265 nan 8.210 nan 0.000 0.414 192 F N 1.128 121.153 119.950 0.125 0.000 2.102 192 F HA -0.170 4.356 4.527 -0.001 0.000 0.298 192 F C 2.678 178.565 175.800 0.145 0.000 1.105 192 F CA 0.959 59.065 58.000 0.177 0.000 1.239 192 F CB -1.456 37.622 39.000 0.130 0.000 0.991 192 F HN 0.005 nan 8.300 nan 0.000 0.474 193 A N 0.175 123.169 122.820 0.289 0.000 1.903 193 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 193 A C 2.442 180.203 177.584 0.295 0.000 1.191 193 A CA 2.455 54.649 52.037 0.262 0.000 0.638 193 A CB -1.336 17.777 19.000 0.189 0.000 0.823 193 A HN 0.203 nan 8.150 nan 0.000 0.451 194 V N -0.678 119.249 119.914 0.021 0.000 2.427 194 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 194 V C 2.430 178.403 176.094 -0.202 0.000 1.051 194 V CA 1.928 64.016 62.300 -0.352 0.000 1.048 194 V CB -1.038 30.376 31.823 -0.683 0.000 0.666 194 V HN 0.639 nan 8.190 nan 0.000 0.456 195 H N -0.035 119.027 119.070 -0.015 0.000 2.319 195 H HA -0.102 4.454 4.556 -0.001 0.000 0.299 195 H C 2.305 177.682 175.328 0.082 0.000 1.092 195 H CA 1.888 57.963 56.048 0.045 0.000 1.302 195 H CB -0.212 29.633 29.762 0.137 0.000 1.373 195 H HN 0.326 nan 8.280 nan 0.000 0.497 196 L N -0.438 120.947 121.223 0.270 0.000 2.056 196 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 196 L C 2.839 179.862 176.870 0.255 0.000 1.078 196 L CA 1.181 56.165 54.840 0.240 0.000 0.749 196 L CB -0.515 41.685 42.059 0.236 0.000 0.901 196 L HN 0.182 nan 8.230 nan 0.000 0.433 197 S N 0.307 116.172 115.700 0.275 0.000 2.365 197 S HA -0.197 4.272 4.470 -0.001 0.000 0.225 197 S C 2.052 176.747 174.600 0.157 0.000 1.039 197 S CA 1.707 60.040 58.200 0.222 0.000 1.033 197 S CB -0.600 62.562 63.200 -0.063 0.000 0.887 197 S HN 0.527 nan 8.310 nan 0.000 0.447 198 G N 0.647 109.506 108.800 0.099 0.000 2.440 198 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.218 198 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.218 198 G C 1.703 176.672 174.900 0.115 0.000 1.154 198 G CA 1.089 46.242 45.100 0.089 0.000 0.767 198 G HN 0.746 nan 8.290 nan 0.000 0.552 199 A N 0.678 123.582 122.820 0.141 0.000 1.877 199 A HA -0.029 4.290 4.320 -0.001 0.000 0.216 199 A C 2.656 180.333 177.584 0.156 0.000 1.186 199 A CA 2.386 54.504 52.037 0.135 0.000 0.620 199 A CB -1.039 18.042 19.000 0.135 0.000 0.822 199 A HN 0.501 nan 8.150 nan 0.000 0.443 200 S N -0.256 115.566 115.700 0.203 0.000 2.368 200 S HA -0.199 4.270 4.470 -0.001 0.000 0.226 200 S C 2.251 176.986 174.600 0.224 0.000 1.044 200 S CA 2.320 60.673 58.200 0.256 0.000 1.062 200 S CB -0.555 62.851 63.200 0.344 0.000 0.931 200 S HN 0.557 nan 8.310 nan 0.000 0.440 201 S N 1.146 116.945 115.700 0.166 0.000 2.370 201 S HA 0.001 4.470 4.470 -0.001 0.000 0.226 201 S C 1.808 176.462 174.600 0.090 0.000 1.033 201 S CA 1.555 59.811 58.200 0.093 0.000 1.011 201 S CB -0.502 62.702 63.200 0.008 0.000 0.852 201 S HN 0.555 nan 8.310 nan 0.000 0.457 202 I N 1.239 121.859 120.570 0.084 0.000 2.226 202 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 202 I C 2.082 178.243 176.117 0.075 0.000 1.100 202 I CA 1.036 62.372 61.300 0.060 0.000 1.374 202 I CB -0.360 37.672 38.000 0.054 0.000 1.057 202 I HN 0.244 nan 8.210 nan 0.000 0.413 203 L N 0.318 121.605 121.223 0.106 0.000 2.017 203 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 203 L C 2.734 179.694 176.870 0.150 0.000 1.073 203 L CA 1.733 56.640 54.840 0.111 0.000 0.745 203 L CB -1.347 40.794 42.059 0.136 0.000 0.894 203 L HN 0.322 nan 8.230 nan 0.000 0.432 204 G N -0.282 108.643 108.800 0.209 0.000 2.469 204 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.219 204 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.219 204 G C 1.733 176.797 174.900 0.273 0.000 1.150 204 G CA 0.977 46.229 45.100 0.254 0.000 0.763 204 G HN 0.497 nan 8.290 nan 0.000 0.561 205 A N 0.380 123.370 122.820 0.283 0.000 1.930 205 A HA 0.121 4.440 4.320 -0.001 0.000 0.217 205 A C 2.404 180.003 177.584 0.025 0.000 1.175 205 A CA 1.209 53.360 52.037 0.191 0.000 0.627 205 A CB -0.278 18.736 19.000 0.024 0.000 0.815 205 A HN 0.393 nan 8.150 nan 0.000 0.443 206 I N -0.323 120.263 120.570 0.026 0.000 2.252 206 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 206 I C 2.393 178.588 176.117 0.130 0.000 1.102 206 I CA 1.101 62.407 61.300 0.009 0.000 1.385 206 I CB -0.359 37.633 38.000 -0.014 0.000 1.064 206 I HN 0.283 nan 8.210 nan 0.000 0.414 207 N N 0.737 119.548 118.700 0.185 0.000 2.069 207 N HA -0.179 4.560 4.740 -0.001 0.000 0.191 207 N C 1.862 177.447 175.510 0.126 0.000 1.031 207 N CA 1.560 54.749 53.050 0.232 0.000 0.852 207 N CB -0.118 38.487 38.487 0.196 0.000 1.018 207 N HN 0.154 nan 8.380 nan 0.000 0.423 208 M N 0.114 119.762 119.600 0.080 0.000 2.117 208 M HA -0.098 4.381 4.480 -0.001 0.000 0.262 208 M C 2.208 178.613 176.300 0.175 0.000 1.065 208 M CA 1.075 56.417 55.300 0.071 0.000 1.114 208 M CB -0.962 31.656 32.600 0.030 0.000 1.361 208 M HN 0.138 nan 8.290 nan 0.000 0.408 209 I N -0.157 120.490 120.570 0.128 0.000 2.394 209 I HA -0.222 3.948 4.170 -0.001 0.000 0.251 209 I C 2.211 178.494 176.117 0.277 0.000 1.136 209 I CA 1.150 62.582 61.300 0.220 0.000 1.425 209 I CB -0.450 37.423 38.000 -0.213 0.000 1.079 209 I HN 0.316 nan 8.210 nan 0.000 0.425 210 T N -0.588 114.079 114.554 0.187 0.000 2.851 210 T HA -0.106 4.243 4.350 -0.001 0.000 0.262 210 T C 1.915 176.653 174.700 0.063 0.000 1.043 210 T CA 1.705 63.899 62.100 0.157 0.000 1.140 210 T CB -0.367 68.639 68.868 0.229 0.000 0.872 210 T HN 0.284 nan 8.240 nan 0.000 0.446 211 T N 1.828 116.403 114.554 0.035 0.000 2.788 211 T HA -0.032 4.317 4.350 -0.001 0.000 0.268 211 T C 1.527 176.221 174.700 -0.011 0.000 1.044 211 T CA 0.929 63.011 62.100 -0.031 0.000 1.139 211 T CB -0.472 68.367 68.868 -0.048 0.000 0.867 211 T HN 0.332 nan 8.240 nan 0.000 0.454 212 F N 1.076 120.966 119.950 -0.099 0.000 2.163 212 F HA 0.134 4.661 4.527 -0.001 0.000 0.297 212 F C 1.824 177.467 175.800 -0.262 0.000 1.094 212 F CA 1.011 58.875 58.000 -0.227 0.000 1.290 212 F CB -0.154 38.646 39.000 -0.332 0.000 1.017 212 F HN 0.031 nan 8.300 nan 0.000 0.483 213 L N -0.300 120.966 121.223 0.071 0.000 2.341 213 L HA -0.064 4.276 4.340 -0.001 0.000 0.214 213 L C 1.282 178.126 176.870 -0.042 0.000 1.115 213 L CA 0.632 55.491 54.840 0.031 0.000 0.820 213 L CB -0.338 41.843 42.059 0.203 0.000 0.944 213 L HN 0.168 nan 8.230 nan 0.000 0.452 214 N N -1.373 117.297 118.700 -0.051 0.000 2.360 214 N HA 0.167 4.907 4.740 -0.001 0.000 0.211 214 N C 1.122 176.577 175.510 -0.092 0.000 1.147 214 N CA 0.442 53.459 53.050 -0.055 0.000 0.866 214 N CB 0.598 39.068 38.487 -0.028 0.000 1.206 214 N HN 0.225 nan 8.380 nan 0.000 0.478 215 M N 0.563 120.090 119.600 -0.121 0.000 2.576 215 M HA 0.254 4.733 4.480 -0.001 0.000 0.322 215 M C -0.288 175.924 176.300 -0.146 0.000 1.184 215 M CA -0.160 55.065 55.300 -0.126 0.000 0.967 215 M CB 0.775 33.296 32.600 -0.131 0.000 1.372 215 M HN -0.223 nan 8.290 nan 0.000 0.509 216 R N 1.600 121.989 120.500 -0.185 0.000 2.442 216 R HA 0.408 4.747 4.340 -0.001 0.000 0.291 216 R C 0.400 176.624 176.300 -0.127 0.000 1.069 216 R CA -0.272 55.710 56.100 -0.197 0.000 1.022 216 R CB 0.643 30.774 30.300 -0.282 0.000 0.976 216 R HN 0.277 nan 8.270 nan 0.000 0.443 217 A N 5.921 128.683 122.820 -0.097 0.000 2.587 217 A HA 0.085 4.405 4.320 -0.001 0.000 0.233 217 A C -1.922 175.628 177.584 -0.057 0.000 1.049 217 A CA -0.846 51.153 52.037 -0.062 0.000 0.754 217 A CB -0.348 18.628 19.000 -0.040 0.000 0.977 217 A HN 0.451 nan 8.150 nan 0.000 0.509 218 P HA 0.276 nan 4.420 nan 0.000 0.264 218 P C 1.062 178.346 177.300 -0.026 0.000 1.193 218 P CA 1.699 64.778 63.100 -0.034 0.000 0.763 218 P CB 0.606 32.291 31.700 -0.025 0.000 0.810 219 G N 2.548 111.333 108.800 -0.025 0.000 2.217 219 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.246 219 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.246 219 G C 0.247 175.136 174.900 -0.017 0.000 0.990 219 G CA 0.128 45.219 45.100 -0.015 0.000 0.627 219 G HN 0.576 nan 8.290 nan 0.000 0.522 220 M N 3.167 122.745 119.600 -0.036 0.000 2.775 220 M HA 0.599 5.078 4.480 -0.001 0.000 0.313 220 M C 0.782 177.040 176.300 -0.070 0.000 1.429 220 M CA 0.166 55.438 55.300 -0.048 0.000 1.494 220 M CB -0.157 32.399 32.600 -0.074 0.000 1.274 220 M HN 0.175 nan 8.290 nan 0.000 0.491 221 T N 2.359 116.894 114.554 -0.030 0.000 2.754 221 T HA 0.175 4.525 4.350 -0.001 0.000 0.286 221 T C 1.149 175.823 174.700 -0.043 0.000 0.997 221 T CA -0.369 61.711 62.100 -0.032 0.000 0.982 221 T CB 0.719 69.601 68.868 0.022 0.000 1.027 221 T HN 0.839 nan 8.240 nan 0.000 0.529 222 M N 0.785 120.331 119.600 -0.090 0.000 2.296 222 M HA -0.035 4.444 4.480 -0.001 0.000 0.265 222 M C 1.289 177.721 176.300 0.219 0.000 1.064 222 M CA 1.737 57.018 55.300 -0.032 0.000 1.109 222 M CB -0.110 32.453 32.600 -0.062 0.000 1.396 222 M HN 0.736 nan 8.290 nan 0.000 0.430 223 H N -1.450 117.811 119.070 0.317 0.000 2.533 223 H HA 0.106 4.661 4.556 -0.001 0.000 0.271 223 H C 1.300 176.698 175.328 0.117 0.000 1.000 223 H CA 0.355 56.598 56.048 0.324 0.000 1.149 223 H CB 0.154 30.019 29.762 0.172 0.000 1.375 223 H HN 0.317 nan 8.280 nan 0.000 0.582 224 K N 0.247 120.770 120.400 0.205 0.000 2.367 224 K HA 0.122 4.441 4.320 -0.001 0.000 0.195 224 K C -0.065 176.632 176.600 0.161 0.000 1.060 224 K CA -0.010 56.321 56.287 0.075 0.000 1.022 224 K CB 1.161 33.686 32.500 0.041 0.000 0.894 224 K HN -0.018 nan 8.250 nan 0.000 0.540 225 V N 4.579 124.672 119.914 0.298 0.000 2.540 225 V HA 0.005 4.124 4.120 -0.001 0.000 0.297 225 V C -2.222 174.229 176.094 0.595 0.000 1.024 225 V CA -1.188 61.304 62.300 0.320 0.000 1.105 225 V CB 0.005 31.892 31.823 0.106 0.000 0.938 225 V HN 0.067 nan 8.190 nan 0.000 0.482 226 P HA 0.122 nan 4.420 nan 0.000 0.268 226 P C 0.992 178.760 177.300 0.779 0.000 1.208 226 P CA -0.129 63.295 63.100 0.540 0.000 0.777 226 P CB 0.578 32.482 31.700 0.341 0.000 0.875 227 L N 0.859 122.551 121.223 0.783 0.000 2.083 227 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 227 L C 2.200 179.450 176.870 0.633 0.000 1.083 227 L CA 1.405 56.632 54.840 0.644 0.000 0.752 227 L CB -0.627 41.715 42.059 0.471 0.000 0.899 227 L HN 0.361 nan 8.230 nan 0.000 0.433 228 F N 0.902 121.127 119.950 0.458 0.000 2.126 228 F HA -0.291 4.235 4.527 -0.001 0.000 0.299 228 F C 2.414 178.466 175.800 0.421 0.000 1.096 228 F CA 1.414 59.559 58.000 0.242 0.000 1.255 228 F CB -0.303 38.652 39.000 -0.076 0.000 0.997 228 F HN 0.014 nan 8.300 nan 0.000 0.479 229 A N -0.776 122.361 122.820 0.529 0.000 1.933 229 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 229 A C 2.131 179.915 177.584 0.334 0.000 1.175 229 A CA 1.502 53.788 52.037 0.414 0.000 0.628 229 A CB -1.690 17.639 19.000 0.548 0.000 0.814 229 A HN 0.656 nan 8.150 nan 0.000 0.444 230 W N 0.915 122.424 121.300 0.349 0.000 2.358 230 W HA -0.220 4.439 4.660 -0.001 0.000 0.303 230 W C 3.065 179.671 176.519 0.146 0.000 1.208 230 W CA 2.268 59.762 57.345 0.249 0.000 1.274 230 W CB -0.164 29.442 29.460 0.244 0.000 1.138 230 W HN 0.495 nan 8.180 nan 0.000 0.515 231 S N -0.129 115.776 115.700 0.342 0.000 2.368 231 S HA -0.196 4.273 4.470 -0.001 0.000 0.225 231 S C 1.760 176.408 174.600 0.080 0.000 1.030 231 S CA 1.402 59.719 58.200 0.196 0.000 0.999 231 S CB -0.699 62.596 63.200 0.160 0.000 0.844 231 S HN 0.095 nan 8.310 nan 0.000 0.459 232 I N 0.794 121.322 120.570 -0.071 0.000 2.315 232 I HA -0.023 4.146 4.170 -0.001 0.000 0.248 232 I C 2.233 178.423 176.117 0.121 0.000 1.117 232 I CA 0.969 62.253 61.300 -0.027 0.000 1.404 232 I CB -1.411 36.444 38.000 -0.243 0.000 1.071 232 I HN 0.315 nan 8.210 nan 0.000 0.419 233 F N 1.763 121.619 119.950 -0.158 0.000 2.113 233 F HA -0.165 4.361 4.527 -0.001 0.000 0.297 233 F C 2.449 178.282 175.800 0.055 0.000 1.103 233 F CA 1.444 59.265 58.000 -0.298 0.000 1.248 233 F CB -0.575 37.768 39.000 -1.096 0.000 0.999 233 F HN -0.174 nan 8.300 nan 0.000 0.475 234 V N -0.093 119.867 119.914 0.078 0.000 2.295 234 V HA -0.337 3.782 4.120 -0.001 0.000 0.246 234 V C 2.346 178.498 176.094 0.097 0.000 1.049 234 V CA 2.419 64.777 62.300 0.096 0.000 1.024 234 V CB -1.418 30.522 31.823 0.194 0.000 0.648 234 V HN 0.407 nan 8.190 nan 0.000 0.447 235 T N 0.622 115.233 114.554 0.095 0.000 2.685 235 T HA -0.289 4.061 4.350 -0.001 0.000 0.268 235 T C 2.018 176.695 174.700 -0.038 0.000 1.034 235 T CA 1.965 64.086 62.100 0.034 0.000 1.149 235 T CB -0.507 68.403 68.868 0.070 0.000 0.860 235 T HN 0.613 nan 8.240 nan 0.000 0.449 236 A N 0.127 122.969 122.820 0.037 0.000 1.898 236 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 236 A C 2.059 179.533 177.584 -0.184 0.000 1.181 236 A CA 1.235 53.244 52.037 -0.046 0.000 0.620 236 A CB -1.070 17.935 19.000 0.009 0.000 0.819 236 A HN 0.683 nan 8.150 nan 0.000 0.442 237 W N 0.274 121.482 121.300 -0.152 0.000 2.363 237 W HA -0.074 4.586 4.660 -0.001 0.000 0.296 237 W C 2.062 178.580 176.519 -0.002 0.000 1.212 237 W CA 0.996 58.267 57.345 -0.125 0.000 1.260 237 W CB -0.312 29.014 29.460 -0.223 0.000 1.131 237 W HN 0.211 nan 8.180 nan 0.000 0.530 238 L N -0.350 121.024 121.223 0.252 0.000 2.017 238 L HA -0.245 4.094 4.340 -0.001 0.000 0.208 238 L C 2.186 179.195 176.870 0.231 0.000 1.073 238 L CA 1.348 56.376 54.840 0.314 0.000 0.745 238 L CB -1.149 41.012 42.059 0.169 0.000 0.894 238 L HN 0.013 nan 8.230 nan 0.000 0.432 239 I N -0.327 120.271 120.570 0.047 0.000 2.151 239 I HA -0.343 3.827 4.170 -0.001 0.000 0.243 239 I C 2.531 178.692 176.117 0.072 0.000 1.080 239 I CA 1.232 62.534 61.300 0.003 0.000 1.339 239 I CB -0.265 37.634 38.000 -0.168 0.000 1.039 239 I HN 0.202 nan 8.210 nan 0.000 0.409 240 L N -0.022 121.225 121.223 0.039 0.000 2.079 240 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 240 L C 2.218 179.152 176.870 0.106 0.000 1.081 240 L CA 1.777 56.637 54.840 0.033 0.000 0.752 240 L CB -0.569 41.456 42.059 -0.057 0.000 0.896 240 L HN 0.250 nan 8.230 nan 0.000 0.433 241 L N -2.166 119.159 121.223 0.170 0.000 2.202 241 L HA -0.003 4.337 4.340 -0.001 0.000 0.205 241 L C 2.368 179.432 176.870 0.322 0.000 1.083 241 L CA 0.979 55.923 54.840 0.174 0.000 0.790 241 L CB -0.185 41.856 42.059 -0.030 0.000 0.942 241 L HN 0.257 nan 8.230 nan 0.000 0.452 242 A N -0.193 122.885 122.820 0.430 0.000 1.854 242 A HA -0.130 4.190 4.320 -0.001 0.000 0.214 242 A C 2.003 179.831 177.584 0.407 0.000 1.192 242 A CA 0.850 53.172 52.037 0.476 0.000 0.611 242 A CB -0.548 18.658 19.000 0.344 0.000 0.832 242 A HN 0.310 nan 8.150 nan 0.000 0.442 243 L N -0.243 121.158 121.223 0.296 0.000 2.083 243 L HA -0.080 4.259 4.340 -0.001 0.000 0.209 243 L C -0.498 176.412 176.870 0.066 0.000 1.083 243 L CA 1.960 56.897 54.840 0.162 0.000 0.752 243 L CB -2.286 39.848 42.059 0.125 0.000 0.899 243 L HN 0.222 nan 8.230 nan 0.000 0.433 244 P HA -0.100 nan 4.420 nan 0.000 0.216 244 P C 2.150 179.475 177.300 0.042 0.000 1.150 244 P CA 0.896 64.034 63.100 0.062 0.000 0.837 244 P CB 0.126 31.866 31.700 0.066 0.000 0.786 245 V N -0.381 119.585 119.914 0.087 0.000 2.343 245 V HA -0.217 3.903 4.120 -0.001 0.000 0.247 245 V C 2.387 178.465 176.094 -0.027 0.000 1.051 245 V CA 1.562 63.895 62.300 0.054 0.000 1.036 245 V CB -1.268 30.669 31.823 0.189 0.000 0.654 245 V HN 0.059 nan 8.190 nan 0.000 0.451 246 L N 1.024 122.199 121.223 -0.080 0.000 2.042 246 L HA -0.117 4.223 4.340 -0.001 0.000 0.210 246 L C 2.480 179.198 176.870 -0.253 0.000 1.076 246 L CA 2.353 56.999 54.840 -0.324 0.000 0.749 246 L CB -0.968 40.578 42.059 -0.855 0.000 0.893 246 L HN 0.221 nan 8.230 nan 0.000 0.432 247 A N -0.359 122.371 122.820 -0.150 0.000 1.892 247 A HA -0.165 4.155 4.320 -0.001 0.000 0.218 247 A C 2.359 179.962 177.584 0.032 0.000 1.188 247 A CA 1.932 53.951 52.037 -0.029 0.000 0.631 247 A CB -1.725 17.337 19.000 0.104 0.000 0.822 247 A HN 0.558 nan 8.150 nan 0.000 0.447 248 G N -0.589 108.207 108.800 -0.007 0.000 2.480 248 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.216 248 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.216 248 G C 1.847 176.735 174.900 -0.019 0.000 1.200 248 G CA 1.993 47.078 45.100 -0.025 0.000 0.782 248 G HN 0.947 nan 8.290 nan 0.000 0.554 249 A N 1.368 124.164 122.820 -0.039 0.000 1.884 249 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 249 A C 2.484 180.180 177.584 0.187 0.000 1.197 249 A CA 2.292 54.352 52.037 0.039 0.000 0.637 249 A CB -0.635 18.244 19.000 -0.202 0.000 0.827 249 A HN 0.923 nan 8.150 nan 0.000 0.450 250 I N -3.718 116.870 120.570 0.030 0.000 2.761 250 I HA -0.049 4.120 4.170 -0.001 0.000 0.261 250 I C 1.893 178.050 176.117 0.067 0.000 1.198 250 I CA 1.796 63.097 61.300 0.002 0.000 1.482 250 I CB -0.661 37.196 38.000 -0.239 0.000 1.100 250 I HN 0.105 nan 8.210 nan 0.000 0.445 251 T N 1.301 115.931 114.554 0.127 0.000 2.896 251 T HA 0.088 4.437 4.350 -0.001 0.000 0.263 251 T C 1.879 176.675 174.700 0.159 0.000 1.050 251 T CA 1.433 63.654 62.100 0.202 0.000 1.140 251 T CB -0.161 68.831 68.868 0.205 0.000 0.877 251 T HN 0.303 nan 8.240 nan 0.000 0.457 252 M N 0.725 120.383 119.600 0.095 0.000 2.159 252 M HA -0.002 4.477 4.480 -0.001 0.000 0.263 252 M C 2.058 178.513 176.300 0.258 0.000 1.063 252 M CA 1.459 56.788 55.300 0.048 0.000 1.110 252 M CB -0.612 31.850 32.600 -0.230 0.000 1.374 252 M HN 0.185 nan 8.290 nan 0.000 0.411 253 L N -0.494 120.920 121.223 0.318 0.000 2.046 253 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 253 L C 2.484 179.432 176.870 0.129 0.000 1.077 253 L CA 0.816 55.786 54.840 0.218 0.000 0.747 253 L CB -0.640 41.456 42.059 0.060 0.000 0.896 253 L HN 0.289 nan 8.230 nan 0.000 0.432 254 L N -0.116 121.181 121.223 0.123 0.000 2.046 254 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 254 L C 2.761 179.741 176.870 0.183 0.000 1.077 254 L CA 2.347 57.251 54.840 0.105 0.000 0.747 254 L CB -0.567 41.575 42.059 0.138 0.000 0.896 254 L HN 0.434 nan 8.230 nan 0.000 0.432 255 T N -5.077 109.648 114.554 0.285 0.000 2.942 255 T HA -0.113 4.236 4.350 -0.001 0.000 0.265 255 T C 1.630 176.449 174.700 0.200 0.000 1.062 255 T CA 1.077 63.400 62.100 0.371 0.000 1.139 255 T CB -0.517 68.589 68.868 0.396 0.000 0.883 255 T HN 0.211 nan 8.240 nan 0.000 0.468 256 D N 1.168 121.664 120.400 0.160 0.000 2.178 256 D HA 0.037 4.676 4.640 -0.001 0.000 0.201 256 D C 2.447 178.767 176.300 0.033 0.000 0.980 256 D CA 0.754 54.800 54.000 0.075 0.000 0.842 256 D CB -0.147 40.717 40.800 0.107 0.000 0.948 256 D HN 0.422 nan 8.370 nan 0.000 0.472 257 R N -0.315 120.199 120.500 0.023 0.000 2.093 257 R HA 0.114 4.453 4.340 -0.001 0.000 0.224 257 R C 1.275 177.510 176.300 -0.108 0.000 1.101 257 R CA 0.860 56.940 56.100 -0.032 0.000 0.979 257 R CB 0.176 30.453 30.300 -0.037 0.000 0.877 257 R HN 0.177 nan 8.270 nan 0.000 0.441 258 N N -1.315 117.264 118.700 -0.202 0.000 2.360 258 N HA 0.057 4.796 4.740 -0.001 0.000 0.211 258 N C -0.042 175.080 175.510 -0.647 0.000 1.147 258 N CA 0.459 53.202 53.050 -0.511 0.000 0.866 258 N CB 0.747 38.738 38.487 -0.828 0.000 1.206 258 N HN 0.043 nan 8.380 nan 0.000 0.478 259 F N 0.551 120.517 119.950 0.026 0.000 2.850 259 F HA 0.412 4.938 4.527 -0.001 0.000 0.329 259 F C 1.401 177.193 175.800 -0.013 0.000 1.182 259 F CA -0.553 57.456 58.000 0.015 0.000 1.270 259 F CB 0.481 39.501 39.000 0.032 0.000 0.979 259 F HN -0.013 nan 8.300 nan 0.000 0.506 260 G N 0.864 109.703 108.800 0.065 0.000 2.180 260 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.263 260 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.263 260 G C 0.524 175.396 174.900 -0.046 0.000 0.989 260 G CA 0.676 45.781 45.100 0.008 0.000 0.692 260 G HN 0.533 nan 8.290 nan 0.000 0.526 261 T N -1.899 112.616 114.554 -0.064 0.000 2.813 261 T HA 0.539 4.888 4.350 -0.001 0.000 0.297 261 T C 0.859 175.399 174.700 -0.266 0.000 1.036 261 T CA 0.810 62.751 62.100 -0.266 0.000 1.044 261 T CB 1.644 70.270 68.868 -0.403 0.000 0.993 261 T HN 1.146 nan 8.240 nan 0.000 0.535 262 T N -1.136 113.168 114.554 -0.417 0.000 3.697 262 T HA 0.321 4.670 4.350 -0.001 0.000 0.260 262 T C 0.511 175.032 174.700 -0.298 0.000 0.998 262 T CA -0.691 61.257 62.100 -0.254 0.000 1.128 262 T CB -0.807 67.969 68.868 -0.153 0.000 1.082 262 T HN 0.417 nan 8.240 nan 0.000 0.541 263 F N 0.933 120.685 119.950 -0.330 0.000 2.161 263 F HA 0.133 4.659 4.527 -0.001 0.000 0.300 263 F C 1.178 176.695 175.800 -0.473 0.000 1.089 263 F CA 1.036 58.697 58.000 -0.565 0.000 1.282 263 F CB -0.425 37.922 39.000 -1.088 0.000 1.010 263 F HN 0.404 nan 8.300 nan 0.000 0.485 264 F N -1.286 118.780 119.950 0.194 0.000 2.724 264 F HA 0.273 4.799 4.527 -0.001 0.000 0.310 264 F C 0.099 175.934 175.800 0.057 0.000 1.107 264 F CA -0.714 57.354 58.000 0.114 0.000 1.218 264 F CB -0.491 38.557 39.000 0.080 0.000 1.042 264 F HN -0.242 nan 8.300 nan 0.000 0.540 265 Q N 1.637 121.520 119.800 0.139 0.000 2.347 265 Q HA 0.313 4.652 4.340 -0.001 0.000 0.262 265 Q C -2.115 173.918 176.000 0.056 0.000 0.980 265 Q CA -2.134 53.718 55.803 0.082 0.000 0.867 265 Q CB 1.588 30.348 28.738 0.036 0.000 1.242 265 Q HN 0.044 nan 8.270 nan 0.000 0.453 266 P HA -0.165 nan 4.420 nan 0.000 0.220 266 P C 1.329 178.647 177.300 0.029 0.000 1.148 266 P CA 1.277 64.408 63.100 0.051 0.000 0.803 266 P CB 0.308 32.041 31.700 0.054 0.000 0.782 267 S N -0.965 114.747 115.700 0.021 0.000 2.399 267 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 267 S C 2.011 176.608 174.600 -0.004 0.000 1.022 267 S CA 1.304 59.509 58.200 0.009 0.000 0.983 267 S CB -1.669 61.535 63.200 0.007 0.000 0.803 267 S HN 0.227 nan 8.310 nan 0.000 0.480 268 G N -0.409 108.382 108.800 -0.014 0.000 3.284 268 G HA2 0.476 4.436 3.960 -0.001 0.000 0.236 268 G HA3 0.476 4.436 3.960 -0.001 0.000 0.236 268 G C 0.933 175.811 174.900 -0.035 0.000 1.158 268 G CA -0.067 45.011 45.100 -0.038 0.000 0.774 268 G HN 1.328 nan 8.290 nan 0.000 0.545 269 G N -1.107 107.688 108.800 -0.007 0.000 2.157 269 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.248 269 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.248 269 G C 0.816 175.732 174.900 0.027 0.000 0.979 269 G CA 0.212 45.317 45.100 0.007 0.000 0.650 269 G HN 1.013 nan 8.290 nan 0.000 0.529 270 G N -0.737 108.082 108.800 0.032 0.000 2.621 270 G HA2 0.486 4.445 3.960 -0.001 0.000 0.271 270 G HA3 0.486 4.445 3.960 -0.001 0.000 0.271 270 G C -0.668 174.314 174.900 0.138 0.000 1.236 270 G CA 0.561 45.711 45.100 0.083 0.000 0.958 270 G HN 0.479 nan 8.290 nan 0.000 0.512 271 D N -0.842 119.693 120.400 0.225 0.000 2.602 271 D HA 0.374 5.013 4.640 -0.001 0.000 0.245 271 D C -1.897 174.576 176.300 0.290 0.000 1.325 271 D CA -1.789 52.342 54.000 0.218 0.000 0.952 271 D CB 2.171 43.085 40.800 0.190 0.000 1.317 271 D HN -0.039 nan 8.370 nan 0.000 0.577 272 P HA -0.122 nan 4.420 nan 0.000 0.218 272 P C 1.467 178.750 177.300 -0.028 0.000 1.148 272 P CA 0.502 63.647 63.100 0.074 0.000 0.822 272 P CB 0.426 32.144 31.700 0.030 0.000 0.784 273 V N -0.565 119.366 119.914 0.029 0.000 2.626 273 V HA -0.200 3.920 4.120 -0.001 0.000 0.252 273 V C 2.326 178.464 176.094 0.074 0.000 1.067 273 V CA 1.242 63.538 62.300 -0.006 0.000 1.081 273 V CB -1.166 30.684 31.823 0.045 0.000 0.686 273 V HN 0.078 nan 8.190 nan 0.000 0.468 274 L N -0.053 121.289 121.223 0.197 0.000 2.012 274 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 274 L C 2.320 179.276 176.870 0.142 0.000 1.073 274 L CA 2.274 57.282 54.840 0.282 0.000 0.748 274 L CB -0.951 41.342 42.059 0.389 0.000 0.891 274 L HN 0.465 nan 8.230 nan 0.000 0.431 275 Y N 0.188 120.316 120.300 -0.286 0.000 2.151 275 Y HA -0.327 4.222 4.550 -0.001 0.000 0.284 275 Y C 2.547 178.216 175.900 -0.386 0.000 1.166 275 Y CA 2.282 59.976 58.100 -0.677 0.000 1.163 275 Y CB -0.274 37.288 38.460 -1.497 0.000 0.974 275 Y HN 0.411 nan 8.280 nan 0.000 0.511 276 Q N -1.131 118.468 119.800 -0.335 0.000 2.084 276 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 276 Q C 2.116 178.054 176.000 -0.102 0.000 0.978 276 Q CA 1.519 57.129 55.803 -0.321 0.000 0.844 276 Q CB -0.352 28.187 28.738 -0.330 0.000 0.898 276 Q HN 0.632 nan 8.270 nan 0.000 0.426 277 H N 0.421 119.504 119.070 0.023 0.000 2.319 277 H HA -0.124 4.432 4.556 -0.001 0.000 0.299 277 H C 2.195 177.425 175.328 -0.163 0.000 1.092 277 H CA 1.477 57.597 56.048 0.121 0.000 1.302 277 H CB -0.185 29.689 29.762 0.187 0.000 1.373 277 H HN 0.256 nan 8.280 nan 0.000 0.497 278 I N 0.462 120.968 120.570 -0.106 0.000 2.163 278 I HA -0.242 3.928 4.170 -0.001 0.000 0.240 278 I C 2.819 178.780 176.117 -0.260 0.000 1.081 278 I CA 0.551 61.723 61.300 -0.214 0.000 1.353 278 I CB -0.280 37.595 38.000 -0.208 0.000 1.054 278 I HN 0.164 nan 8.210 nan 0.000 0.407 279 L N 0.607 121.499 121.223 -0.552 0.000 1.971 279 L HA -0.251 4.088 4.340 -0.001 0.000 0.215 279 L C 2.238 178.896 176.870 -0.353 0.000 1.072 279 L CA 2.500 56.964 54.840 -0.627 0.000 0.758 279 L CB -0.956 40.443 42.059 -1.099 0.000 0.889 279 L HN 0.358 nan 8.230 nan 0.000 0.433 280 W N -1.429 119.782 121.300 -0.149 0.000 2.699 280 W HA -0.176 4.484 4.660 -0.001 0.000 0.249 280 W C 2.311 178.794 176.519 -0.060 0.000 1.280 280 W CA 0.045 57.339 57.345 -0.084 0.000 1.345 280 W CB -0.394 29.083 29.460 0.028 0.000 1.128 280 W HN 0.123 nan 8.180 nan 0.000 0.642 281 F N -0.158 119.683 119.950 -0.182 0.000 2.186 281 F HA -0.199 4.327 4.527 -0.001 0.000 0.299 281 F C 2.254 178.036 175.800 -0.029 0.000 1.090 281 F CA 1.677 59.505 58.000 -0.287 0.000 1.307 281 F CB -0.543 38.150 39.000 -0.512 0.000 1.019 281 F HN -0.033 nan 8.300 nan 0.000 0.489 282 F N 0.165 120.117 119.950 0.004 0.000 2.234 282 F HA 0.133 4.659 4.527 -0.001 0.000 0.296 282 F C 2.208 177.950 175.800 -0.097 0.000 1.089 282 F CA 1.495 59.469 58.000 -0.044 0.000 1.343 282 F CB -1.052 37.914 39.000 -0.057 0.000 1.040 282 F HN -0.097 nan 8.300 nan 0.000 0.498 283 G N -0.800 107.763 108.800 -0.395 0.000 2.408 283 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 283 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 283 G C 1.422 176.201 174.900 -0.202 0.000 1.150 283 G CA 1.134 45.933 45.100 -0.501 0.000 0.776 283 G HN 0.573 nan 8.290 nan 0.000 0.542 284 H N 1.515 120.560 119.070 -0.040 0.000 2.276 284 H HA -0.010 4.546 4.556 -0.001 0.000 0.301 284 H C 0.222 175.474 175.328 -0.127 0.000 1.073 284 H CA 1.600 57.654 56.048 0.010 0.000 1.311 284 H CB -0.412 29.436 29.762 0.143 0.000 1.379 284 H HN 0.233 nan 8.280 nan 0.000 0.494 285 P HA -0.253 nan 4.420 nan 0.000 0.218 285 P C 1.218 178.350 177.300 -0.281 0.000 1.154 285 P CA 2.304 65.223 63.100 -0.302 0.000 0.872 285 P CB -0.099 31.168 31.700 -0.722 0.000 0.790 286 E N 0.030 119.899 120.200 -0.550 0.000 2.114 286 E HA -0.220 4.130 4.350 -0.001 0.000 0.199 286 E C 1.677 178.013 176.600 -0.439 0.000 1.008 286 E CA 2.120 58.159 56.400 -0.602 0.000 0.810 286 E CB -1.195 27.890 29.700 -1.025 0.000 0.739 286 E HN 0.193 nan 8.360 nan 0.000 0.456 287 V N -1.496 118.144 119.914 -0.457 0.000 2.548 287 V HA -0.138 3.982 4.120 -0.001 0.000 0.249 287 V C 1.920 177.694 176.094 -0.533 0.000 1.055 287 V CA 1.596 63.577 62.300 -0.532 0.000 1.065 287 V CB -1.050 30.386 31.823 -0.645 0.000 0.681 287 V HN 0.276 nan 8.190 nan 0.000 0.462 288 Y N 0.548 120.701 120.300 -0.245 0.000 2.263 288 Y HA 0.141 4.690 4.550 -0.001 0.000 0.292 288 Y C 2.376 178.161 175.900 -0.192 0.000 1.130 288 Y CA 1.651 59.656 58.100 -0.159 0.000 1.179 288 Y CB -0.479 37.955 38.460 -0.043 0.000 0.998 288 Y HN 0.175 nan 8.280 nan 0.000 0.532 289 I N -0.344 120.171 120.570 -0.092 0.000 2.264 289 I HA -0.332 3.837 4.170 -0.001 0.000 0.248 289 I C 2.055 178.063 176.117 -0.181 0.000 1.111 289 I CA 1.482 62.687 61.300 -0.157 0.000 1.382 289 I CB -0.371 37.495 38.000 -0.223 0.000 1.060 289 I HN 0.207 nan 8.210 nan 0.000 0.418 290 I N -0.562 119.873 120.570 -0.225 0.000 2.202 290 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 290 I C 2.456 178.476 176.117 -0.160 0.000 1.091 290 I CA 1.232 62.407 61.300 -0.207 0.000 1.368 290 I CB -0.215 37.623 38.000 -0.270 0.000 1.058 290 I HN 0.046 nan 8.210 nan 0.000 0.410 291 V N 0.629 120.410 119.914 -0.222 0.000 2.878 291 V HA -0.077 4.043 4.120 -0.001 0.000 0.250 291 V C 2.190 177.994 176.094 -0.484 0.000 1.075 291 V CA 0.911 63.045 62.300 -0.276 0.000 1.096 291 V CB 0.146 31.802 31.823 -0.278 0.000 0.724 291 V HN 0.275 nan 8.190 nan 0.000 0.467 292 L N 0.520 121.502 121.223 -0.402 0.000 1.990 292 L HA -0.141 4.198 4.340 -0.001 0.000 0.213 292 L C -0.029 176.820 176.870 -0.036 0.000 1.072 292 L CA 2.121 56.787 54.840 -0.289 0.000 0.755 292 L CB -1.818 40.207 42.059 -0.056 0.000 0.889 292 L HN 0.335 nan 8.230 nan 0.000 0.432 293 P HA -0.190 nan 4.420 nan 0.000 0.217 293 P C 1.333 178.789 177.300 0.260 0.000 1.148 293 P CA 1.759 64.952 63.100 0.155 0.000 0.828 293 P CB -0.037 31.800 31.700 0.228 0.000 0.783 294 A N -1.340 121.552 122.820 0.119 0.000 1.930 294 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 294 A C 1.889 179.480 177.584 0.011 0.000 1.175 294 A CA 1.194 53.258 52.037 0.045 0.000 0.627 294 A CB -1.618 17.420 19.000 0.062 0.000 0.815 294 A HN 0.027 nan 8.150 nan 0.000 0.443 295 F N 0.561 120.500 119.950 -0.018 0.000 2.126 295 F HA -0.101 4.426 4.527 -0.001 0.000 0.299 295 F C 2.631 178.539 175.800 0.180 0.000 1.096 295 F CA 0.564 58.634 58.000 0.116 0.000 1.255 295 F CB -1.511 37.673 39.000 0.306 0.000 0.997 295 F HN 0.278 nan 8.300 nan 0.000 0.479 296 G N 0.311 109.365 108.800 0.423 0.000 2.421 296 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.216 296 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.216 296 G C 1.921 176.982 174.900 0.269 0.000 1.171 296 G CA 0.931 46.296 45.100 0.441 0.000 0.775 296 G HN 0.340 nan 8.290 nan 0.000 0.543 297 I N 0.405 121.071 120.570 0.160 0.000 2.163 297 I HA -0.191 3.979 4.170 -0.001 0.000 0.243 297 I C 2.832 178.729 176.117 -0.367 0.000 1.085 297 I CA 0.678 61.832 61.300 -0.243 0.000 1.347 297 I CB -0.423 37.397 38.000 -0.300 0.000 1.044 297 I HN 0.029 nan 8.210 nan 0.000 0.408 298 V N 0.395 120.051 119.914 -0.429 0.000 2.282 298 V HA -0.324 3.795 4.120 -0.001 0.000 0.249 298 V C 2.553 178.385 176.094 -0.438 0.000 1.057 298 V CA 2.351 64.252 62.300 -0.665 0.000 1.032 298 V CB -0.743 30.302 31.823 -1.298 0.000 0.645 298 V HN 0.396 nan 8.190 nan 0.000 0.447 299 S N -1.588 114.083 115.700 -0.047 0.000 2.368 299 S HA -0.217 4.253 4.470 -0.001 0.000 0.225 299 S C 1.817 176.522 174.600 0.175 0.000 1.030 299 S CA 1.537 59.908 58.200 0.286 0.000 0.999 299 S CB -0.474 63.042 63.200 0.526 0.000 0.844 299 S HN 0.707 nan 8.310 nan 0.000 0.459 300 H N -0.036 118.992 119.070 -0.069 0.000 2.321 300 H HA -0.024 4.532 4.556 -0.001 0.000 0.300 300 H C 2.251 177.311 175.328 -0.446 0.000 1.087 300 H CA 1.495 57.451 56.048 -0.153 0.000 1.319 300 H CB -0.170 29.523 29.762 -0.116 0.000 1.379 300 H HN 0.195 nan 8.280 nan 0.000 0.501 301 V N 1.273 120.826 119.914 -0.602 0.000 2.343 301 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 301 V C 2.520 178.449 176.094 -0.273 0.000 1.051 301 V CA 1.521 63.374 62.300 -0.744 0.000 1.036 301 V CB -0.390 30.972 31.823 -0.769 0.000 0.654 301 V HN 0.334 nan 8.190 nan 0.000 0.451 302 I N 0.173 120.611 120.570 -0.220 0.000 2.202 302 I HA -0.192 3.977 4.170 -0.001 0.000 0.242 302 I C 2.713 178.807 176.117 -0.038 0.000 1.091 302 I CA 1.307 62.546 61.300 -0.101 0.000 1.368 302 I CB -0.635 37.313 38.000 -0.086 0.000 1.058 302 I HN 0.286 nan 8.210 nan 0.000 0.410 303 A N 0.518 123.326 122.820 -0.020 0.000 1.927 303 A HA -0.267 4.053 4.320 -0.001 0.000 0.220 303 A C 2.371 179.902 177.584 -0.089 0.000 1.185 303 A CA 2.774 54.803 52.037 -0.014 0.000 0.639 303 A CB -1.200 17.808 19.000 0.015 0.000 0.820 303 A HN 0.404 nan 8.150 nan 0.000 0.451 304 T N -1.101 113.349 114.554 -0.175 0.000 2.737 304 T HA -0.056 4.293 4.350 -0.001 0.000 0.265 304 T C 1.332 175.750 174.700 -0.471 0.000 1.038 304 T CA 1.635 63.526 62.100 -0.347 0.000 1.144 304 T CB -0.356 68.203 68.868 -0.516 0.000 0.866 304 T HN 0.443 nan 8.240 nan 0.000 0.434 305 F N 0.654 120.463 119.950 -0.236 0.000 2.754 305 F HA 0.431 4.957 4.527 -0.001 0.000 0.297 305 F C 2.191 177.887 175.800 -0.174 0.000 1.122 305 F CA -0.155 57.710 58.000 -0.225 0.000 1.400 305 F CB -0.101 38.723 39.000 -0.294 0.000 1.117 305 F HN 0.099 nan 8.300 nan 0.000 0.587 306 A N -0.098 122.703 122.820 -0.032 0.000 2.251 306 A HA 0.081 4.400 4.320 -0.001 0.000 0.209 306 A C 1.157 178.640 177.584 -0.168 0.000 1.187 306 A CA -0.049 51.948 52.037 -0.067 0.000 0.823 306 A CB -0.538 18.446 19.000 -0.027 0.000 0.846 306 A HN 0.303 nan 8.150 nan 0.000 0.486 307 K N -1.080 119.161 120.400 -0.265 0.000 3.148 307 K HA -0.206 4.113 4.320 -0.001 0.000 0.267 307 K C -0.295 175.789 176.600 -0.860 0.000 0.996 307 K CA 1.362 57.272 56.287 -0.629 0.000 0.737 307 K CB -1.379 30.824 32.500 -0.496 0.000 1.308 307 K HN 0.635 nan 8.250 nan 0.000 0.470 308 K N -0.055 120.118 120.400 -0.380 0.000 2.542 308 K HA 0.363 4.683 4.320 -0.001 0.000 0.259 308 K C -2.952 173.653 176.600 0.010 0.000 0.932 308 K CA -2.120 54.078 56.287 -0.148 0.000 0.820 308 K CB 1.993 34.456 32.500 -0.061 0.000 1.345 308 K HN -0.301 nan 8.250 nan 0.000 0.432 309 P HA 0.122 nan 4.420 nan 0.000 0.274 309 P C -0.512 176.854 177.300 0.110 0.000 1.231 309 P CA -0.590 62.561 63.100 0.085 0.000 0.790 309 P CB 0.408 32.147 31.700 0.066 0.000 0.951 310 I N 2.367 123.015 120.570 0.131 0.000 2.752 310 I HA -0.018 4.151 4.170 -0.001 0.000 0.289 310 I C -0.145 176.083 176.117 0.185 0.000 1.197 310 I CA 0.012 61.425 61.300 0.188 0.000 1.432 310 I CB -0.718 37.413 38.000 0.217 0.000 1.359 310 I HN 0.143 nan 8.210 nan 0.000 0.571 311 F N 8.274 128.268 119.950 0.074 0.000 2.506 311 F HA 0.427 4.953 4.527 -0.001 0.000 0.371 311 F C 1.184 176.990 175.800 0.010 0.000 1.078 311 F CA 0.366 58.391 58.000 0.042 0.000 1.195 311 F CB 0.009 39.032 39.000 0.038 0.000 1.099 311 F HN 0.763 nan 8.300 nan 0.000 0.548 312 G N 6.186 114.814 108.800 -0.287 0.000 2.392 312 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.290 312 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.290 312 G C 0.362 175.239 174.900 -0.038 0.000 1.032 312 G CA 0.461 45.467 45.100 -0.158 0.000 1.269 312 G HN 1.020 nan 8.290 nan 0.000 0.511 313 Y N 0.366 120.588 120.300 -0.130 0.000 2.114 313 Y HA -0.166 4.383 4.550 -0.001 0.000 0.282 313 Y C 2.518 178.294 175.900 -0.207 0.000 1.165 313 Y CA 2.473 60.505 58.100 -0.113 0.000 1.148 313 Y CB -0.148 38.265 38.460 -0.078 0.000 0.972 313 Y HN 0.428 nan 8.280 nan 0.000 0.504 314 L N -0.294 120.807 121.223 -0.203 0.000 2.023 314 L HA -0.106 4.233 4.340 -0.001 0.000 0.205 314 L C -0.431 176.101 176.870 -0.563 0.000 1.073 314 L CA 1.119 55.658 54.840 -0.502 0.000 0.745 314 L CB -1.589 40.255 42.059 -0.359 0.000 0.900 314 L HN 0.168 nan 8.230 nan 0.000 0.435 315 P HA -0.212 nan 4.420 nan 0.000 0.216 315 P C 1.816 179.024 177.300 -0.153 0.000 1.150 315 P CA 1.460 64.502 63.100 -0.097 0.000 0.843 315 P CB -0.045 31.641 31.700 -0.023 0.000 0.787 316 M N -1.299 118.161 119.600 -0.234 0.000 2.117 316 M HA -0.108 4.371 4.480 -0.001 0.000 0.262 316 M C 2.049 178.176 176.300 -0.287 0.000 1.065 316 M CA 1.575 56.725 55.300 -0.250 0.000 1.114 316 M CB -1.561 30.895 32.600 -0.240 0.000 1.361 316 M HN -0.141 nan 8.290 nan 0.000 0.408 317 V N -0.721 118.871 119.914 -0.537 0.000 2.358 317 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 317 V C 2.293 178.197 176.094 -0.318 0.000 1.047 317 V CA 1.570 63.464 62.300 -0.677 0.000 1.035 317 V CB -0.894 30.144 31.823 -1.308 0.000 0.658 317 V HN 0.256 nan 8.190 nan 0.000 0.452 318 Y N 0.591 120.736 120.300 -0.259 0.000 2.242 318 Y HA -0.051 4.498 4.550 -0.001 0.000 0.291 318 Y C 2.522 178.373 175.900 -0.082 0.000 1.137 318 Y CA 0.575 58.590 58.100 -0.142 0.000 1.181 318 Y CB -1.348 37.049 38.460 -0.105 0.000 0.989 318 Y HN 0.206 nan 8.280 nan 0.000 0.527 319 A N -0.157 122.707 122.820 0.073 0.000 1.902 319 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 319 A C 2.361 179.993 177.584 0.081 0.000 1.181 319 A CA 1.770 53.836 52.037 0.048 0.000 0.623 319 A CB -0.782 18.213 19.000 -0.008 0.000 0.818 319 A HN 0.396 nan 8.150 nan 0.000 0.443 320 M N -0.676 118.978 119.600 0.091 0.000 2.159 320 M HA -0.142 4.338 4.480 -0.001 0.000 0.263 320 M C 2.085 178.462 176.300 0.129 0.000 1.063 320 M CA 1.366 56.763 55.300 0.160 0.000 1.110 320 M CB -0.430 32.283 32.600 0.189 0.000 1.374 320 M HN 0.287 nan 8.290 nan 0.000 0.411 321 V N 0.059 120.040 119.914 0.111 0.000 2.323 321 V HA -0.187 3.932 4.120 -0.001 0.000 0.244 321 V C 2.600 178.727 176.094 0.055 0.000 1.041 321 V CA 1.873 64.235 62.300 0.102 0.000 1.025 321 V CB -1.131 30.771 31.823 0.132 0.000 0.656 321 V HN 0.486 nan 8.190 nan 0.000 0.451 322 A N 0.041 122.886 122.820 0.042 0.000 1.877 322 A HA -0.175 4.144 4.320 -0.001 0.000 0.216 322 A C 2.191 179.767 177.584 -0.013 0.000 1.186 322 A CA 1.894 53.936 52.037 0.009 0.000 0.620 322 A CB -0.596 18.407 19.000 0.005 0.000 0.822 322 A HN 0.472 nan 8.150 nan 0.000 0.443 323 I N -0.155 120.409 120.570 -0.009 0.000 2.208 323 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 323 I C 2.659 178.659 176.117 -0.194 0.000 1.097 323 I CA 1.209 62.449 61.300 -0.100 0.000 1.363 323 I CB -0.519 37.490 38.000 0.015 0.000 1.051 323 I HN 0.421 nan 8.210 nan 0.000 0.413 324 G N 0.091 108.863 108.800 -0.046 0.000 2.418 324 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.217 324 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.217 324 G C 1.662 176.624 174.900 0.103 0.000 1.158 324 G CA 0.996 46.108 45.100 0.019 0.000 0.771 324 G HN 0.267 nan 8.290 nan 0.000 0.545 325 V N 0.716 120.674 119.914 0.073 0.000 2.302 325 V HA 0.010 4.130 4.120 -0.001 0.000 0.243 325 V C 2.831 178.991 176.094 0.111 0.000 1.036 325 V CA 1.078 63.448 62.300 0.116 0.000 1.020 325 V CB -0.413 31.431 31.823 0.035 0.000 0.657 325 V HN 0.306 nan 8.190 nan 0.000 0.453 326 L N 0.847 122.069 121.223 -0.002 0.000 2.265 326 L HA -0.081 4.258 4.340 -0.001 0.000 0.215 326 L C 2.439 179.228 176.870 -0.136 0.000 1.117 326 L CA 1.391 56.204 54.840 -0.045 0.000 0.782 326 L CB -0.915 41.099 42.059 -0.076 0.000 0.914 326 L HN 0.495 nan 8.230 nan 0.000 0.441 327 G N -1.030 107.610 108.800 -0.266 0.000 2.625 327 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.214 327 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.214 327 G C 1.105 175.737 174.900 -0.446 0.000 1.132 327 G CA 0.132 44.926 45.100 -0.510 0.000 0.782 327 G HN 0.299 nan 8.290 nan 0.000 0.538 328 F N -0.210 119.650 119.950 -0.149 0.000 2.727 328 F HA 0.188 4.714 4.527 -0.001 0.000 0.302 328 F C 1.716 177.588 175.800 0.119 0.000 1.097 328 F CA 0.039 57.936 58.000 -0.173 0.000 1.330 328 F CB 1.039 39.940 39.000 -0.165 0.000 1.084 328 F HN 0.077 nan 8.300 nan 0.000 0.578 329 V N -2.097 117.992 119.914 0.292 0.000 3.070 329 V HA 0.269 4.388 4.120 -0.001 0.000 0.345 329 V C 0.483 176.697 176.094 0.200 0.000 1.403 329 V CA 0.326 62.854 62.300 0.380 0.000 1.155 329 V CB -0.247 31.734 31.823 0.264 0.000 1.140 329 V HN 0.041 nan 8.190 nan 0.000 0.505 330 V N -3.778 116.236 119.914 0.167 0.000 3.398 330 V HA 0.289 4.408 4.120 -0.001 0.000 0.298 330 V C 1.661 177.624 176.094 -0.219 0.000 1.496 330 V CA 0.340 62.654 62.300 0.024 0.000 1.044 330 V CB -0.503 31.250 31.823 -0.117 0.000 0.880 330 V HN 0.728 nan 8.190 nan 0.000 0.443 331 W N 2.113 123.375 121.300 -0.063 0.000 2.350 331 W HA 0.086 4.745 4.660 -0.001 0.000 0.289 331 W C 1.811 178.052 176.519 -0.462 0.000 1.215 331 W CA 1.780 59.028 57.345 -0.163 0.000 1.236 331 W CB -0.851 28.663 29.460 0.090 0.000 1.130 331 W HN 0.241 nan 8.180 nan 0.000 0.541 332 A N 1.532 123.518 122.820 -1.389 0.000 2.235 332 A HA -0.095 4.225 4.320 -0.001 0.000 0.208 332 A C 1.844 178.779 177.584 -1.082 0.000 1.172 332 A CA 1.008 52.240 52.037 -1.342 0.000 0.786 332 A CB -1.734 16.013 19.000 -2.087 0.000 0.804 332 A HN 0.783 nan 8.150 nan 0.000 0.479 333 H N -2.612 115.873 119.070 -0.976 0.000 2.561 333 H HA -0.021 4.535 4.556 -0.001 0.000 0.278 333 H C 0.817 175.398 175.328 -1.245 0.000 1.014 333 H CA 0.951 56.148 56.048 -1.419 0.000 1.211 333 H CB -0.363 28.905 29.762 -0.824 0.000 1.365 333 H HN 0.638 nan 8.280 nan 0.000 0.594 334 H N 0.480 119.102 119.070 -0.747 0.000 2.547 334 H HA 0.164 4.719 4.556 -0.001 0.000 0.266 334 H C 0.644 175.585 175.328 -0.645 0.000 0.988 334 H CA 0.473 56.029 56.048 -0.820 0.000 1.147 334 H CB 0.425 29.140 29.762 -1.745 0.000 1.365 334 H HN 0.504 nan 8.280 nan 0.000 0.589 335 M N -0.668 118.614 119.600 -0.531 0.000 2.625 335 M HA 0.081 4.561 4.480 -0.001 0.000 0.396 335 M C 0.337 176.487 176.300 -0.250 0.000 1.174 335 M CA -0.214 54.879 55.300 -0.344 0.000 0.898 335 M CB 0.644 33.052 32.600 -0.320 0.000 1.450 335 M HN -0.054 nan 8.290 nan 0.000 0.522 336 Y N 0.934 121.071 120.300 -0.270 0.000 2.315 336 Y HA -0.149 4.400 4.550 -0.001 0.000 0.288 336 Y C 2.783 178.585 175.900 -0.164 0.000 1.154 336 Y CA 1.832 59.818 58.100 -0.190 0.000 1.229 336 Y CB -0.829 37.538 38.460 -0.155 0.000 0.980 336 Y HN 0.387 nan 8.280 nan 0.000 0.540 337 T N -4.217 110.285 114.554 -0.087 0.000 3.092 337 T HA 0.448 4.797 4.350 -0.001 0.000 0.258 337 T C 1.641 176.329 174.700 -0.021 0.000 1.031 337 T CA 0.322 62.392 62.100 -0.051 0.000 0.925 337 T CB -0.090 68.749 68.868 -0.049 0.000 1.036 337 T HN 0.155 nan 8.240 nan 0.000 0.544 338 A N 0.922 123.717 122.820 -0.042 0.000 2.208 338 A HA 0.629 4.948 4.320 -0.001 0.000 0.209 338 A C 1.871 179.463 177.584 0.013 0.000 1.161 338 A CA 0.471 52.502 52.037 -0.011 0.000 0.782 338 A CB -0.780 18.187 19.000 -0.055 0.000 0.816 338 A HN 1.372 nan 8.150 nan 0.000 0.477 339 G N -1.340 107.474 108.800 0.024 0.000 2.151 339 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.140 339 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.140 339 G C -0.040 174.897 174.900 0.062 0.000 1.020 339 G CA -0.192 44.935 45.100 0.045 0.000 0.688 339 G HN 0.304 nan 8.290 nan 0.000 0.500 340 L N 2.118 123.380 121.223 0.064 0.000 2.461 340 L HA 0.435 4.774 4.340 -0.001 0.000 0.272 340 L C 1.663 178.588 176.870 0.092 0.000 1.197 340 L CA 0.246 55.144 54.840 0.098 0.000 0.836 340 L CB 0.824 42.946 42.059 0.105 0.000 1.105 340 L HN 0.495 nan 8.230 nan 0.000 0.477 341 S N 1.918 117.679 115.700 0.102 0.000 2.589 341 S HA 0.047 4.516 4.470 -0.001 0.000 0.265 341 S C 0.877 175.526 174.600 0.081 0.000 1.342 341 S CA -0.690 57.559 58.200 0.081 0.000 1.005 341 S CB 0.954 64.201 63.200 0.079 0.000 0.909 341 S HN 0.570 nan 8.310 nan 0.000 0.555 342 L N 2.058 123.313 121.223 0.054 0.000 2.079 342 L HA -0.052 4.287 4.340 -0.001 0.000 0.210 342 L C 2.406 179.311 176.870 0.059 0.000 1.081 342 L CA 2.318 57.182 54.840 0.039 0.000 0.752 342 L CB -1.691 40.380 42.059 0.019 0.000 0.896 342 L HN 0.973 nan 8.230 nan 0.000 0.433 343 T N -0.769 113.826 114.554 0.069 0.000 2.701 343 T HA -0.203 4.146 4.350 -0.001 0.000 0.263 343 T C 1.794 176.578 174.700 0.140 0.000 1.040 343 T CA 1.785 63.932 62.100 0.079 0.000 1.147 343 T CB -0.171 68.730 68.868 0.056 0.000 0.865 343 T HN 0.488 nan 8.240 nan 0.000 0.426 344 Q N 0.816 120.722 119.800 0.178 0.000 2.061 344 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 344 Q C 2.596 178.852 176.000 0.427 0.000 0.984 344 Q CA 1.382 57.374 55.803 0.316 0.000 0.846 344 Q CB -0.223 28.692 28.738 0.295 0.000 0.902 344 Q HN 0.594 nan 8.270 nan 0.000 0.421 345 Q N -0.061 119.906 119.800 0.279 0.000 2.096 345 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 345 Q C 2.293 178.412 176.000 0.198 0.000 0.982 345 Q CA 1.511 57.474 55.803 0.266 0.000 0.850 345 Q CB -0.041 28.741 28.738 0.073 0.000 0.901 345 Q HN 0.241 nan 8.270 nan 0.000 0.422 346 S N 0.084 115.859 115.700 0.124 0.000 2.355 346 S HA -0.172 4.297 4.470 -0.001 0.000 0.222 346 S C 1.636 176.282 174.600 0.077 0.000 1.031 346 S CA 1.224 59.463 58.200 0.065 0.000 0.993 346 S CB -0.415 62.812 63.200 0.045 0.000 0.859 346 S HN 0.477 nan 8.310 nan 0.000 0.453 347 Y N 1.566 121.870 120.300 0.006 0.000 2.097 347 Y HA -0.180 4.370 4.550 -0.001 0.000 0.282 347 Y C 1.785 177.611 175.900 -0.124 0.000 1.152 347 Y CA 1.467 59.500 58.100 -0.111 0.000 1.136 347 Y CB -0.769 37.547 38.460 -0.241 0.000 0.975 347 Y HN 0.193 nan 8.280 nan 0.000 0.498 348 F N 0.010 119.771 119.950 -0.315 0.000 2.216 348 F HA -0.219 4.307 4.527 -0.001 0.000 0.300 348 F C 2.688 178.376 175.800 -0.186 0.000 1.085 348 F CA 1.749 59.501 58.000 -0.414 0.000 1.326 348 F CB -0.567 38.329 39.000 -0.173 0.000 1.027 348 F HN 0.200 nan 8.300 nan 0.000 0.497 349 M N -0.519 119.166 119.600 0.142 0.000 2.067 349 M HA -0.257 4.222 4.480 -0.001 0.000 0.260 349 M C 2.199 178.471 176.300 -0.046 0.000 1.069 349 M CA 1.662 57.016 55.300 0.090 0.000 1.117 349 M CB -0.085 32.522 32.600 0.011 0.000 1.334 349 M HN 0.018 nan 8.290 nan 0.000 0.407 350 M N 0.427 119.953 119.600 -0.124 0.000 2.065 350 M HA -0.162 4.317 4.480 -0.001 0.000 0.259 350 M C 2.492 178.680 176.300 -0.186 0.000 1.069 350 M CA 2.108 57.323 55.300 -0.141 0.000 1.110 350 M CB -2.013 30.507 32.600 -0.133 0.000 1.328 350 M HN 0.508 nan 8.290 nan 0.000 0.405 351 A N -0.092 122.508 122.820 -0.366 0.000 1.908 351 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 351 A C 2.367 179.859 177.584 -0.153 0.000 1.181 351 A CA 2.358 54.191 52.037 -0.339 0.000 0.627 351 A CB -1.207 17.398 19.000 -0.659 0.000 0.818 351 A HN 0.534 nan 8.150 nan 0.000 0.445 352 T N 0.134 114.640 114.554 -0.080 0.000 2.746 352 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 352 T C 1.922 176.613 174.700 -0.016 0.000 1.039 352 T CA 1.780 63.894 62.100 0.023 0.000 1.142 352 T CB -0.323 68.601 68.868 0.094 0.000 0.866 352 T HN 0.468 nan 8.240 nan 0.000 0.444 353 M N 0.468 120.044 119.600 -0.040 0.000 2.159 353 M HA -0.080 4.399 4.480 -0.001 0.000 0.263 353 M C 2.425 178.708 176.300 -0.029 0.000 1.063 353 M CA 1.118 56.396 55.300 -0.037 0.000 1.110 353 M CB -0.602 31.971 32.600 -0.044 0.000 1.374 353 M HN 0.101 nan 8.290 nan 0.000 0.411 354 V N 0.767 120.656 119.914 -0.041 0.000 2.237 354 V HA -0.288 3.831 4.120 -0.001 0.000 0.245 354 V C 2.190 178.276 176.094 -0.013 0.000 1.046 354 V CA 2.003 64.284 62.300 -0.031 0.000 1.007 354 V CB -0.524 31.271 31.823 -0.047 0.000 0.638 354 V HN 0.475 nan 8.190 nan 0.000 0.445 355 I N 0.125 120.688 120.570 -0.012 0.000 2.567 355 I HA -0.224 3.946 4.170 -0.001 0.000 0.257 355 I C 2.367 178.523 176.117 0.064 0.000 1.184 355 I CA 1.252 62.558 61.300 0.010 0.000 1.451 355 I CB -0.255 37.732 38.000 -0.021 0.000 1.089 355 I HN 0.316 nan 8.210 nan 0.000 0.441 356 A N -0.041 122.810 122.820 0.052 0.000 1.972 356 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 356 A C 2.255 179.863 177.584 0.040 0.000 1.169 356 A CA 1.729 53.798 52.037 0.054 0.000 0.635 356 A CB -0.810 18.196 19.000 0.009 0.000 0.810 356 A HN 0.343 nan 8.150 nan 0.000 0.446 357 V N 1.132 121.062 119.914 0.026 0.000 2.223 357 V HA -0.150 3.969 4.120 -0.001 0.000 0.244 357 V C -0.015 176.095 176.094 0.026 0.000 1.045 357 V CA 2.399 64.713 62.300 0.022 0.000 1.000 357 V CB -1.558 30.276 31.823 0.018 0.000 0.635 357 V HN 0.449 nan 8.190 nan 0.000 0.445 358 P HA -0.117 nan 4.420 nan 0.000 0.218 358 P C 1.603 178.926 177.300 0.038 0.000 1.149 358 P CA 1.599 64.715 63.100 0.027 0.000 0.817 358 P CB -0.222 31.500 31.700 0.036 0.000 0.785 359 T N -0.140 114.481 114.554 0.112 0.000 2.668 359 T HA -0.064 4.286 4.350 -0.001 0.000 0.262 359 T C 2.201 176.982 174.700 0.134 0.000 1.045 359 T CA 1.869 64.103 62.100 0.224 0.000 1.152 359 T CB -1.293 67.795 68.868 0.367 0.000 0.864 359 T HN 0.169 nan 8.240 nan 0.000 0.419 360 G N 1.327 110.156 108.800 0.049 0.000 2.440 360 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 360 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 360 G C 1.509 176.246 174.900 -0.272 0.000 1.154 360 G CA 0.603 45.654 45.100 -0.081 0.000 0.767 360 G HN 0.365 nan 8.290 nan 0.000 0.552 361 I N 1.072 121.529 120.570 -0.189 0.000 2.248 361 I HA -0.182 3.987 4.170 -0.001 0.000 0.248 361 I C 2.653 178.611 176.117 -0.265 0.000 1.107 361 I CA 1.286 62.490 61.300 -0.159 0.000 1.373 361 I CB -0.233 37.771 38.000 0.007 0.000 1.055 361 I HN 0.127 nan 8.210 nan 0.000 0.418 362 K N -0.204 119.980 120.400 -0.359 0.000 2.160 362 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 362 K C 2.030 178.196 176.600 -0.723 0.000 1.047 362 K CA 1.092 56.947 56.287 -0.719 0.000 0.930 362 K CB -0.187 31.688 32.500 -1.043 0.000 0.720 362 K HN 0.258 nan 8.250 nan 0.000 0.450 363 I N 0.506 120.893 120.570 -0.305 0.000 2.163 363 I HA -0.269 3.900 4.170 -0.001 0.000 0.243 363 I C 2.065 178.185 176.117 0.006 0.000 1.085 363 I CA 1.633 62.941 61.300 0.012 0.000 1.347 363 I CB -1.047 36.902 38.000 -0.086 0.000 1.044 363 I HN 0.035 nan 8.210 nan 0.000 0.408 364 F N 1.477 121.392 119.950 -0.058 0.000 2.134 364 F HA -0.157 4.369 4.527 -0.001 0.000 0.299 364 F C 2.874 178.549 175.800 -0.209 0.000 1.097 364 F CA 1.170 59.096 58.000 -0.124 0.000 1.264 364 F CB -1.576 37.329 39.000 -0.158 0.000 1.001 364 F HN 0.019 nan 8.300 nan 0.000 0.479 365 S N -0.965 114.684 115.700 -0.086 0.000 2.383 365 S HA -0.203 4.266 4.470 -0.001 0.000 0.229 365 S C 1.884 176.458 174.600 -0.043 0.000 1.030 365 S CA 1.167 59.270 58.200 -0.163 0.000 1.002 365 S CB -0.488 62.582 63.200 -0.216 0.000 0.829 365 S HN 0.389 nan 8.310 nan 0.000 0.467 366 W N 1.457 122.767 121.300 0.017 0.000 2.388 366 W HA 0.160 4.819 4.660 -0.001 0.000 0.294 366 W C 2.008 178.555 176.519 0.048 0.000 1.212 366 W CA -0.019 57.342 57.345 0.026 0.000 1.271 366 W CB -1.009 28.454 29.460 0.005 0.000 1.126 366 W HN 0.312 nan 8.180 nan 0.000 0.535 367 I N 0.292 121.023 120.570 0.268 0.000 2.315 367 I HA -0.232 3.937 4.170 -0.001 0.000 0.248 367 I C 2.525 178.748 176.117 0.177 0.000 1.117 367 I CA 1.447 62.881 61.300 0.223 0.000 1.404 367 I CB -0.839 37.296 38.000 0.225 0.000 1.071 367 I HN -0.198 nan 8.210 nan 0.000 0.419 368 A N 0.283 123.095 122.820 -0.012 0.000 2.015 368 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 368 A C 2.328 179.971 177.584 0.098 0.000 1.163 368 A CA 1.970 53.903 52.037 -0.173 0.000 0.646 368 A CB -0.873 17.564 19.000 -0.940 0.000 0.806 368 A HN 0.375 nan 8.150 nan 0.000 0.448 369 T N 0.139 114.803 114.554 0.184 0.000 2.777 369 T HA -0.120 4.229 4.350 -0.001 0.000 0.266 369 T C 1.908 176.720 174.700 0.185 0.000 1.040 369 T CA 1.698 63.944 62.100 0.244 0.000 1.141 369 T CB -0.292 68.730 68.868 0.257 0.000 0.868 369 T HN 0.461 nan 8.240 nan 0.000 0.444 370 M N -0.495 119.211 119.600 0.178 0.000 2.229 370 M HA 0.015 4.495 4.480 -0.001 0.000 0.264 370 M C 0.948 177.324 176.300 0.127 0.000 1.063 370 M CA 0.621 55.994 55.300 0.122 0.000 1.114 370 M CB -0.076 32.593 32.600 0.116 0.000 1.387 370 M HN 0.319 nan 8.290 nan 0.000 0.420 371 W N 1.780 123.089 121.300 0.015 0.000 2.381 371 W HA 0.161 4.820 4.660 -0.001 0.000 0.321 371 W C 0.846 177.374 176.519 0.016 0.000 1.407 371 W CA 1.666 59.014 57.345 0.005 0.000 1.274 371 W CB 0.253 29.704 29.460 -0.016 0.000 1.310 371 W HN 0.586 nan 8.180 nan 0.000 0.551 372 G N 3.650 112.363 108.800 -0.146 0.000 2.176 372 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.253 372 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.253 372 G C 0.426 175.298 174.900 -0.048 0.000 0.979 372 G CA 0.040 45.110 45.100 -0.050 0.000 0.641 372 G HN 0.921 nan 8.290 nan 0.000 0.530 373 G N -0.578 108.188 108.800 -0.057 0.000 2.508 373 G HA2 0.515 4.474 3.960 -0.001 0.000 0.278 373 G HA3 0.515 4.474 3.960 -0.001 0.000 0.278 373 G C 0.269 175.113 174.900 -0.093 0.000 1.389 373 G CA 0.772 45.829 45.100 -0.072 0.000 1.050 373 G HN 1.227 nan 8.290 nan 0.000 0.522 374 S N -0.425 115.215 115.700 -0.100 0.000 2.395 374 S HA 0.419 4.889 4.470 -0.001 0.000 0.207 374 S C -0.224 174.338 174.600 -0.064 0.000 1.454 374 S CA -0.626 57.526 58.200 -0.080 0.000 1.211 374 S CB -0.441 62.715 63.200 -0.073 0.000 1.093 374 S HN 0.370 nan 8.310 nan 0.000 0.472 375 I N 3.366 123.901 120.570 -0.058 0.000 2.396 375 I HA 0.290 4.460 4.170 -0.001 0.000 0.289 375 I C 0.570 176.677 176.117 -0.017 0.000 1.056 375 I CA -0.100 61.175 61.300 -0.040 0.000 1.365 375 I CB 0.882 38.845 38.000 -0.061 0.000 1.407 375 I HN 0.527 nan 8.210 nan 0.000 0.509 376 E N 7.088 127.306 120.200 0.029 0.000 2.113 376 E HA 0.321 4.670 4.350 -0.001 0.000 0.273 376 E C -0.665 175.922 176.600 -0.022 0.000 0.924 376 E CA -0.634 55.804 56.400 0.062 0.000 0.764 376 E CB 1.103 30.916 29.700 0.187 0.000 1.104 376 E HN 0.582 nan 8.360 nan 0.000 0.406 377 L N 5.425 126.599 121.223 -0.082 0.000 2.796 377 L HA 0.205 4.544 4.340 -0.001 0.000 0.235 377 L C 0.395 177.116 176.870 -0.249 0.000 1.344 377 L CA -0.219 54.501 54.840 -0.200 0.000 1.245 377 L CB -0.427 41.536 42.059 -0.158 0.000 1.556 377 L HN 0.212 nan 8.230 nan 0.000 0.423 378 K N -0.103 120.097 120.400 -0.334 0.000 2.138 378 K HA 0.199 4.518 4.320 -0.001 0.000 0.251 378 K C 1.361 177.658 176.600 -0.506 0.000 1.015 378 K CA -0.189 55.915 56.287 -0.304 0.000 0.917 378 K CB 1.106 33.470 32.500 -0.227 0.000 1.021 378 K HN 0.095 nan 8.250 nan 0.000 0.485 379 T N 2.582 116.951 114.554 -0.307 0.000 2.624 379 T HA -0.161 4.189 4.350 -0.001 0.000 0.266 379 T C -1.088 173.303 174.700 -0.516 0.000 1.050 379 T CA 1.878 63.685 62.100 -0.489 0.000 1.163 379 T CB -0.870 67.707 68.868 -0.485 0.000 0.861 379 T HN 0.491 nan 8.240 nan 0.000 0.443 380 P HA 0.001 nan 4.420 nan 0.000 0.218 380 P C 1.532 178.493 177.300 -0.564 0.000 1.149 380 P CA 0.816 63.713 63.100 -0.340 0.000 0.817 380 P CB -0.104 31.381 31.700 -0.359 0.000 0.785 381 M N -1.020 118.029 119.600 -0.919 0.000 2.175 381 M HA -0.053 4.426 4.480 -0.001 0.000 0.264 381 M C 1.812 177.738 176.300 -0.622 0.000 1.063 381 M CA 1.642 56.512 55.300 -0.717 0.000 1.119 381 M CB -1.362 30.802 32.600 -0.726 0.000 1.377 381 M HN -0.203 nan 8.290 nan 0.000 0.415 382 L N -1.607 119.096 121.223 -0.867 0.000 2.012 382 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 382 L C 2.235 178.400 176.870 -1.175 0.000 1.073 382 L CA 1.774 55.778 54.840 -1.395 0.000 0.748 382 L CB -0.982 39.749 42.059 -2.213 0.000 0.891 382 L HN 0.423 nan 8.230 nan 0.000 0.431 383 W N -0.317 120.608 121.300 -0.624 0.000 2.338 383 W HA -0.222 4.438 4.660 -0.001 0.000 0.304 383 W C 2.710 179.271 176.519 0.069 0.000 1.212 383 W CA 0.907 58.189 57.345 -0.105 0.000 1.264 383 W CB -0.373 29.002 29.460 -0.142 0.000 1.142 383 W HN 0.129 nan 8.180 nan 0.000 0.512 384 A N -0.104 122.733 122.820 0.029 0.000 1.930 384 A HA -0.108 4.211 4.320 -0.001 0.000 0.217 384 A C 1.921 179.508 177.584 0.005 0.000 1.175 384 A CA 1.211 53.204 52.037 -0.073 0.000 0.627 384 A CB -0.873 17.956 19.000 -0.286 0.000 0.815 384 A HN 0.299 nan 8.150 nan 0.000 0.443 385 L N -0.854 120.328 121.223 -0.069 0.000 2.109 385 L HA -0.056 4.283 4.340 -0.001 0.000 0.207 385 L C 2.818 179.758 176.870 0.117 0.000 1.086 385 L CA 0.916 55.738 54.840 -0.030 0.000 0.760 385 L CB -0.819 41.132 42.059 -0.181 0.000 0.910 385 L HN 0.475 nan 8.230 nan 0.000 0.437 386 G N 0.013 108.944 108.800 0.217 0.000 2.440 386 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.218 386 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.218 386 G C 1.505 176.660 174.900 0.424 0.000 1.154 386 G CA 0.661 46.034 45.100 0.455 0.000 0.767 386 G HN 0.291 nan 8.290 nan 0.000 0.552 387 F N 1.405 121.542 119.950 0.311 0.000 2.091 387 F HA -0.107 4.419 4.527 -0.001 0.000 0.299 387 F C 2.502 178.381 175.800 0.131 0.000 1.103 387 F CA 1.473 59.564 58.000 0.151 0.000 1.228 387 F CB -0.253 38.791 39.000 0.074 0.000 0.984 387 F HN 0.060 nan 8.300 nan 0.000 0.477 388 L N -1.033 120.396 121.223 0.342 0.000 2.012 388 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 388 L C 2.455 179.465 176.870 0.232 0.000 1.073 388 L CA 1.769 56.775 54.840 0.277 0.000 0.748 388 L CB -1.063 41.149 42.059 0.255 0.000 0.891 388 L HN 0.259 nan 8.230 nan 0.000 0.431 389 F N 0.856 120.882 119.950 0.127 0.000 2.051 389 F HA -0.212 4.314 4.527 -0.001 0.000 0.296 389 F C 2.270 178.116 175.800 0.077 0.000 1.122 389 F CA 1.590 59.669 58.000 0.131 0.000 1.201 389 F CB -0.322 38.822 39.000 0.240 0.000 0.978 389 F HN -0.157 nan 8.300 nan 0.000 0.472 390 L N -1.113 120.135 121.223 0.041 0.000 2.046 390 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 390 L C 2.451 179.217 176.870 -0.174 0.000 1.077 390 L CA 1.448 56.239 54.840 -0.082 0.000 0.747 390 L CB -0.956 41.028 42.059 -0.125 0.000 0.896 390 L HN 0.193 nan 8.230 nan 0.000 0.432 391 F N 0.812 120.521 119.950 -0.402 0.000 2.171 391 F HA -0.211 4.315 4.527 -0.001 0.000 0.300 391 F C 2.443 178.092 175.800 -0.251 0.000 1.090 391 F CA 1.808 59.565 58.000 -0.405 0.000 1.293 391 F CB -0.304 38.330 39.000 -0.610 0.000 1.013 391 F HN -0.042 nan 8.300 nan 0.000 0.486 392 T N -0.314 114.139 114.554 -0.168 0.000 2.701 392 T HA -0.144 4.205 4.350 -0.001 0.000 0.263 392 T C 2.212 176.693 174.700 -0.364 0.000 1.040 392 T CA 1.606 63.568 62.100 -0.230 0.000 1.147 392 T CB -0.702 68.084 68.868 -0.136 0.000 0.865 392 T HN 0.075 nan 8.240 nan 0.000 0.426 393 V N 1.565 121.173 119.914 -0.510 0.000 2.287 393 V HA -0.154 3.965 4.120 -0.001 0.000 0.248 393 V C 2.870 178.639 176.094 -0.541 0.000 1.053 393 V CA 2.105 64.027 62.300 -0.630 0.000 1.027 393 V CB -1.405 29.829 31.823 -0.981 0.000 0.646 393 V HN 0.620 nan 8.190 nan 0.000 0.447 394 G N -0.198 108.335 108.800 -0.446 0.000 2.418 394 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.217 394 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.217 394 G C 1.625 176.380 174.900 -0.240 0.000 1.158 394 G CA 0.928 45.839 45.100 -0.315 0.000 0.771 394 G HN 0.596 nan 8.290 nan 0.000 0.545 395 G N 0.673 109.230 108.800 -0.406 0.000 2.418 395 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.217 395 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.217 395 G C 1.955 176.729 174.900 -0.209 0.000 1.158 395 G CA 2.047 46.941 45.100 -0.343 0.000 0.771 395 G HN 0.782 nan 8.290 nan 0.000 0.545 396 V N -0.039 119.741 119.914 -0.224 0.000 2.515 396 V HA -0.096 4.023 4.120 -0.001 0.000 0.250 396 V C 2.832 178.825 176.094 -0.168 0.000 1.058 396 V CA 2.441 64.633 62.300 -0.181 0.000 1.064 396 V CB -1.352 30.365 31.823 -0.177 0.000 0.675 396 V HN 0.454 nan 8.190 nan 0.000 0.461 397 T N -1.665 112.771 114.554 -0.196 0.000 2.951 397 T HA 0.081 4.430 4.350 -0.001 0.000 0.268 397 T C 2.037 176.579 174.700 -0.263 0.000 1.073 397 T CA 1.196 63.186 62.100 -0.183 0.000 1.134 397 T CB -0.748 67.912 68.868 -0.346 0.000 0.884 397 T HN 0.623 nan 8.240 nan 0.000 0.479 398 G N 2.244 110.808 108.800 -0.393 0.000 2.440 398 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.218 398 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.218 398 G C 1.455 176.170 174.900 -0.309 0.000 1.154 398 G CA 0.862 45.596 45.100 -0.611 0.000 0.767 398 G HN 0.441 nan 8.290 nan 0.000 0.552 399 I N 1.030 121.488 120.570 -0.188 0.000 2.163 399 I HA -0.140 4.029 4.170 -0.001 0.000 0.243 399 I C 3.046 179.105 176.117 -0.097 0.000 1.085 399 I CA 0.640 61.865 61.300 -0.124 0.000 1.347 399 I CB -1.308 36.636 38.000 -0.094 0.000 1.044 399 I HN 0.047 nan 8.210 nan 0.000 0.408 400 V N 1.070 120.940 119.914 -0.073 0.000 2.282 400 V HA -0.281 3.838 4.120 -0.001 0.000 0.249 400 V C 2.592 178.683 176.094 -0.004 0.000 1.057 400 V CA 1.722 64.013 62.300 -0.016 0.000 1.032 400 V CB -0.693 31.158 31.823 0.046 0.000 0.645 400 V HN 0.345 nan 8.190 nan 0.000 0.447 401 L N 0.861 122.059 121.223 -0.041 0.000 2.275 401 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 401 L C 2.618 179.481 176.870 -0.011 0.000 1.119 401 L CA 1.447 56.277 54.840 -0.018 0.000 0.790 401 L CB -0.616 41.365 42.059 -0.129 0.000 0.919 401 L HN 0.563 nan 8.230 nan 0.000 0.443 402 S N -1.510 114.143 115.700 -0.079 0.000 2.423 402 S HA -0.099 4.370 4.470 -0.001 0.000 0.231 402 S C 1.088 175.694 174.600 0.010 0.000 1.014 402 S CA 0.284 58.467 58.200 -0.029 0.000 0.965 402 S CB -0.229 62.914 63.200 -0.094 0.000 0.785 402 S HN 0.305 nan 8.310 nan 0.000 0.495 403 Q N 1.535 121.305 119.800 -0.050 0.000 2.359 403 Q HA 0.475 4.814 4.340 -0.001 0.000 0.249 403 Q C 1.208 177.093 176.000 -0.192 0.000 1.181 403 Q CA 0.401 56.138 55.803 -0.110 0.000 0.897 403 Q CB 0.445 29.134 28.738 -0.081 0.000 1.424 403 Q HN 0.504 nan 8.270 nan 0.000 0.478 404 A N 2.871 125.430 122.820 -0.435 0.000 1.986 404 A HA -0.246 4.073 4.320 -0.001 0.000 0.220 404 A C 2.088 179.470 177.584 -0.335 0.000 1.171 404 A CA 2.088 53.684 52.037 -0.735 0.000 0.640 404 A CB -0.264 17.992 19.000 -1.240 0.000 0.811 404 A HN 0.705 nan 8.150 nan 0.000 0.451 405 S N -0.802 114.763 115.700 -0.224 0.000 2.423 405 S HA -0.052 4.417 4.470 -0.001 0.000 0.231 405 S C 1.588 176.124 174.600 -0.107 0.000 1.014 405 S CA 1.285 59.401 58.200 -0.139 0.000 0.965 405 S CB -0.500 62.632 63.200 -0.114 0.000 0.785 405 S HN 0.270 nan 8.310 nan 0.000 0.495 406 V N 2.028 121.879 119.914 -0.105 0.000 2.599 406 V HA -0.010 4.110 4.120 -0.001 0.000 0.245 406 V C 2.389 178.459 176.094 -0.040 0.000 1.046 406 V CA 1.563 63.796 62.300 -0.111 0.000 1.065 406 V CB -0.820 30.952 31.823 -0.085 0.000 0.703 406 V HN 0.464 nan 8.190 nan 0.000 0.464 407 D N 0.338 120.763 120.400 0.041 0.000 2.221 407 D HA -0.223 4.416 4.640 -0.001 0.000 0.204 407 D C 2.166 178.559 176.300 0.155 0.000 0.982 407 D CA 0.946 55.045 54.000 0.166 0.000 0.857 407 D CB -0.018 40.921 40.800 0.232 0.000 0.934 407 D HN 0.166 nan 8.370 nan 0.000 0.475 408 R N -1.009 119.524 120.500 0.056 0.000 2.096 408 R HA -0.213 4.126 4.340 -0.001 0.000 0.240 408 R C 1.993 178.337 176.300 0.074 0.000 1.139 408 R CA 1.566 57.699 56.100 0.055 0.000 0.952 408 R CB -0.880 29.423 30.300 0.005 0.000 0.854 408 R HN 0.369 nan 8.270 nan 0.000 0.436 409 Y N -1.219 119.012 120.300 -0.116 0.000 2.243 409 Y HA -0.145 4.404 4.550 -0.001 0.000 0.293 409 Y C 1.375 177.210 175.900 -0.109 0.000 1.124 409 Y CA 1.498 59.488 58.100 -0.184 0.000 1.159 409 Y CB -0.129 38.089 38.460 -0.403 0.000 1.008 409 Y HN 0.091 nan 8.280 nan 0.000 0.527 410 Y N -0.925 119.505 120.300 0.216 0.000 2.475 410 Y HA 0.002 4.551 4.550 -0.001 0.000 0.289 410 Y C 0.913 176.886 175.900 0.121 0.000 1.121 410 Y CA 0.659 58.843 58.100 0.140 0.000 1.257 410 Y CB -1.202 37.254 38.460 -0.007 0.000 1.026 410 Y HN 0.109 nan 8.280 nan 0.000 0.555 411 H N 1.496 120.687 119.070 0.202 0.000 3.034 411 H HA 0.011 4.566 4.556 -0.001 0.000 0.324 411 H C 0.573 175.963 175.328 0.104 0.000 1.015 411 H CA 0.521 56.656 56.048 0.145 0.000 1.429 411 H CB 0.007 29.840 29.762 0.119 0.000 1.429 411 H HN 0.212 nan 8.280 nan 0.000 0.585 412 D N 2.535 122.530 120.400 -0.676 0.000 2.870 412 D HA -0.195 4.444 4.640 -0.001 0.000 0.228 412 D C -0.383 175.805 176.300 -0.187 0.000 1.147 412 D CA 1.412 55.139 54.000 -0.454 0.000 0.757 412 D CB -0.904 39.626 40.800 -0.450 0.000 1.091 412 D HN 0.772 nan 8.370 nan 0.000 0.429 413 T N -4.213 110.293 114.554 -0.080 0.000 2.910 413 T HA 0.446 4.796 4.350 -0.001 0.000 0.287 413 T C 1.054 175.750 174.700 -0.008 0.000 1.050 413 T CA -0.719 61.377 62.100 -0.006 0.000 1.011 413 T CB 0.950 69.894 68.868 0.127 0.000 1.195 413 T HN -0.082 nan 8.240 nan 0.000 0.540 414 Y N -0.707 119.566 120.300 -0.046 0.000 2.574 414 Y HA 0.052 4.601 4.550 -0.001 0.000 0.294 414 Y C 2.064 177.901 175.900 -0.106 0.000 1.142 414 Y CA 0.757 58.806 58.100 -0.085 0.000 1.314 414 Y CB -0.510 37.862 38.460 -0.146 0.000 0.991 414 Y HN 0.821 nan 8.280 nan 0.000 0.555 415 Y N -0.748 119.529 120.300 -0.039 0.000 2.224 415 Y HA -0.269 4.280 4.550 -0.001 0.000 0.289 415 Y C 2.214 177.987 175.900 -0.211 0.000 1.146 415 Y CA 1.596 59.576 58.100 -0.200 0.000 1.182 415 Y CB -0.300 37.952 38.460 -0.347 0.000 0.983 415 Y HN -0.100 nan 8.280 nan 0.000 0.524 416 V N -1.213 118.728 119.914 0.045 0.000 2.358 416 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 416 V C 2.252 178.285 176.094 -0.103 0.000 1.047 416 V CA 1.607 63.954 62.300 0.078 0.000 1.035 416 V CB -0.754 31.174 31.823 0.176 0.000 0.658 416 V HN 0.309 nan 8.190 nan 0.000 0.452 417 V N 0.587 120.313 119.914 -0.314 0.000 2.287 417 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 417 V C 2.738 178.408 176.094 -0.706 0.000 1.053 417 V CA 2.118 63.982 62.300 -0.726 0.000 1.027 417 V CB -1.301 30.186 31.823 -0.559 0.000 0.646 417 V HN 0.555 nan 8.190 nan 0.000 0.447 418 A N -0.052 122.464 122.820 -0.508 0.000 1.877 418 A HA -0.317 4.003 4.320 -0.001 0.000 0.216 418 A C 2.142 179.447 177.584 -0.464 0.000 1.186 418 A CA 2.410 54.099 52.037 -0.581 0.000 0.620 418 A CB -0.936 17.354 19.000 -1.184 0.000 0.822 418 A HN 0.783 nan 8.150 nan 0.000 0.443 419 H N 0.083 118.839 119.070 -0.525 0.000 2.289 419 H HA -0.229 4.326 4.556 -0.001 0.000 0.296 419 H C 1.628 176.805 175.328 -0.252 0.000 1.091 419 H CA 2.673 58.516 56.048 -0.342 0.000 1.274 419 H CB -0.654 28.947 29.762 -0.268 0.000 1.364 419 H HN 0.619 nan 8.280 nan 0.000 0.490 420 F N -1.318 118.293 119.950 -0.565 0.000 2.416 420 F HA 0.140 4.666 4.527 -0.001 0.000 0.296 420 F C 2.001 177.404 175.800 -0.661 0.000 1.099 420 F CA 0.799 58.385 58.000 -0.691 0.000 1.427 420 F CB -0.959 37.756 39.000 -0.475 0.000 1.079 420 F HN 0.164 nan 8.300 nan 0.000 0.536 421 H N -1.186 117.342 119.070 -0.905 0.000 2.389 421 H HA -0.065 4.490 4.556 -0.001 0.000 0.299 421 H C 1.623 176.448 175.328 -0.839 0.000 1.081 421 H CA 2.514 57.949 56.048 -1.022 0.000 1.345 421 H CB -0.453 28.145 29.762 -1.940 0.000 1.393 421 H HN 0.318 nan 8.280 nan 0.000 0.520 422 Y N -1.011 118.946 120.300 -0.573 0.000 2.130 422 Y HA -0.191 4.358 4.550 -0.001 0.000 0.287 422 Y C 2.654 178.314 175.900 -0.401 0.000 1.124 422 Y CA 1.230 59.074 58.100 -0.428 0.000 1.118 422 Y CB -0.352 37.890 38.460 -0.363 0.000 0.994 422 Y HN 0.046 nan 8.280 nan 0.000 0.497 423 V N -0.266 119.470 119.914 -0.297 0.000 2.591 423 V HA -0.216 3.904 4.120 -0.001 0.000 0.249 423 V C 1.727 177.713 176.094 -0.179 0.000 1.053 423 V CA 1.950 64.039 62.300 -0.351 0.000 1.068 423 V CB 0.107 31.590 31.823 -0.566 0.000 0.689 423 V HN 0.534 nan 8.190 nan 0.000 0.462 424 M N -2.176 117.278 119.600 -0.244 0.000 3.049 424 M HA 0.029 4.508 4.480 -0.001 0.000 0.234 424 M C 2.237 178.429 176.300 -0.179 0.000 1.632 424 M CA 1.280 56.465 55.300 -0.192 0.000 1.259 424 M CB 0.497 32.933 32.600 -0.273 0.000 1.199 424 M HN 0.287 nan 8.290 nan 0.000 0.580 425 S N 1.780 117.327 115.700 -0.255 0.000 2.343 425 S HA -0.107 4.363 4.470 -0.001 0.000 0.219 425 S C 1.793 176.326 174.600 -0.110 0.000 1.033 425 S CA 1.523 59.589 58.200 -0.223 0.000 1.014 425 S CB -0.705 62.306 63.200 -0.315 0.000 0.915 425 S HN 0.463 nan 8.310 nan 0.000 0.435 426 L N 1.157 122.291 121.223 -0.149 0.000 2.141 426 L HA -0.005 4.334 4.340 -0.001 0.000 0.209 426 L C 2.768 179.675 176.870 0.060 0.000 1.094 426 L CA 0.937 55.758 54.840 -0.032 0.000 0.763 426 L CB -1.158 40.756 42.059 -0.242 0.000 0.908 426 L HN 0.440 nan 8.230 nan 0.000 0.437 427 G N 0.006 108.800 108.800 -0.011 0.000 2.446 427 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 427 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 427 G C 1.775 176.896 174.900 0.367 0.000 1.168 427 G CA 0.912 46.089 45.100 0.127 0.000 0.771 427 G HN 0.460 nan 8.290 nan 0.000 0.551 428 A N -0.111 122.808 122.820 0.164 0.000 1.873 428 A HA 0.123 4.442 4.320 -0.001 0.000 0.215 428 A C 2.619 180.243 177.584 0.066 0.000 1.186 428 A CA 1.783 53.878 52.037 0.097 0.000 0.616 428 A CB -0.669 18.316 19.000 -0.025 0.000 0.823 428 A HN 0.258 nan 8.150 nan 0.000 0.442 429 V N -1.176 118.769 119.914 0.051 0.000 2.295 429 V HA -0.230 3.889 4.120 -0.001 0.000 0.246 429 V C 2.324 178.370 176.094 -0.079 0.000 1.049 429 V CA 2.049 64.288 62.300 -0.101 0.000 1.024 429 V CB -0.908 30.910 31.823 -0.009 0.000 0.648 429 V HN 0.546 nan 8.190 nan 0.000 0.447 430 F N 1.258 121.256 119.950 0.080 0.000 2.186 430 F HA -0.001 4.525 4.527 -0.001 0.000 0.299 430 F C 2.350 178.229 175.800 0.131 0.000 1.090 430 F CA 1.236 59.399 58.000 0.271 0.000 1.307 430 F CB -1.342 37.979 39.000 0.535 0.000 1.019 430 F HN 0.186 nan 8.300 nan 0.000 0.489 431 G N 0.312 109.275 108.800 0.271 0.000 2.446 431 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.217 431 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.217 431 G C 1.854 176.731 174.900 -0.039 0.000 1.168 431 G CA 1.120 46.233 45.100 0.023 0.000 0.771 431 G HN 0.344 nan 8.290 nan 0.000 0.551 432 I N -0.161 120.384 120.570 -0.041 0.000 2.163 432 I HA -0.152 4.017 4.170 -0.001 0.000 0.243 432 I C 2.494 178.560 176.117 -0.085 0.000 1.085 432 I CA 0.952 62.247 61.300 -0.008 0.000 1.347 432 I CB -0.281 37.616 38.000 -0.171 0.000 1.044 432 I HN 0.033 nan 8.210 nan 0.000 0.408 433 F N 1.002 120.747 119.950 -0.342 0.000 2.171 433 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 433 F C 2.581 178.097 175.800 -0.473 0.000 1.090 433 F CA 0.991 58.584 58.000 -0.677 0.000 1.293 433 F CB -1.309 36.593 39.000 -1.831 0.000 1.013 433 F HN 0.020 nan 8.300 nan 0.000 0.486 434 A N 0.391 123.104 122.820 -0.179 0.000 1.865 434 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 434 A C 2.664 180.169 177.584 -0.132 0.000 1.191 434 A CA 1.994 53.984 52.037 -0.078 0.000 0.623 434 A CB -1.585 17.327 19.000 -0.146 0.000 0.826 434 A HN 0.393 nan 8.150 nan 0.000 0.444 435 G N 0.044 108.672 108.800 -0.286 0.000 2.514 435 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.217 435 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.217 435 G C 1.552 176.417 174.900 -0.059 0.000 1.198 435 G CA 1.276 46.039 45.100 -0.561 0.000 0.780 435 G HN 0.478 nan 8.290 nan 0.000 0.565 436 I N -0.672 120.049 120.570 0.252 0.000 2.151 436 I HA -0.238 3.931 4.170 -0.001 0.000 0.243 436 I C 2.546 178.784 176.117 0.202 0.000 1.080 436 I CA 1.303 62.818 61.300 0.358 0.000 1.339 436 I CB -0.234 37.934 38.000 0.281 0.000 1.039 436 I HN 0.182 nan 8.210 nan 0.000 0.409 437 Y N -1.073 119.354 120.300 0.212 0.000 2.337 437 Y HA -0.198 4.351 4.550 -0.001 0.000 0.293 437 Y C 2.198 178.445 175.900 0.577 0.000 1.123 437 Y CA 1.104 59.315 58.100 0.186 0.000 1.201 437 Y CB -0.419 38.007 38.460 -0.057 0.000 1.011 437 Y HN 0.069 nan 8.280 nan 0.000 0.545 438 F N -1.411 118.756 119.950 0.362 0.000 2.234 438 F HA -0.206 4.321 4.527 -0.001 0.000 0.299 438 F C 1.139 177.351 175.800 0.686 0.000 1.087 438 F CA 1.392 59.596 58.000 0.340 0.000 1.340 438 F CB -0.132 38.618 39.000 -0.416 0.000 1.031 438 F HN 0.073 nan 8.300 nan 0.000 0.500 439 W N -1.203 120.391 121.300 0.490 0.000 2.534 439 W HA 0.282 4.942 4.660 -0.001 0.000 0.339 439 W C 1.775 178.482 176.519 0.315 0.000 0.961 439 W CA -0.532 56.985 57.345 0.286 0.000 1.545 439 W CB -0.603 28.864 29.460 0.011 0.000 1.104 439 W HN -0.058 nan 8.180 nan 0.000 0.538 440 I N 0.297 121.179 120.570 0.520 0.000 2.394 440 I HA -0.116 4.054 4.170 -0.001 0.000 0.251 440 I C 2.222 178.473 176.117 0.224 0.000 1.136 440 I CA 1.892 63.376 61.300 0.308 0.000 1.425 440 I CB -0.370 37.753 38.000 0.206 0.000 1.079 440 I HN -0.081 nan 8.210 nan 0.000 0.425 441 G N 0.640 109.578 108.800 0.231 0.000 2.404 441 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.215 441 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.215 441 G C 1.627 176.622 174.900 0.157 0.000 1.174 441 G CA 0.953 46.001 45.100 -0.086 0.000 0.780 441 G HN 0.243 nan 8.290 nan 0.000 0.537 442 K N 0.245 120.927 120.400 0.470 0.000 2.097 442 K HA 0.089 4.408 4.320 -0.001 0.000 0.206 442 K C 2.432 179.136 176.600 0.174 0.000 1.049 442 K CA 1.252 57.748 56.287 0.348 0.000 0.933 442 K CB -0.344 32.303 32.500 0.244 0.000 0.717 442 K HN 0.366 nan 8.250 nan 0.000 0.442 443 M N -0.566 119.109 119.600 0.125 0.000 2.287 443 M HA -0.028 4.451 4.480 -0.001 0.000 0.266 443 M C 1.893 178.262 176.300 0.114 0.000 1.079 443 M CA 1.503 56.809 55.300 0.011 0.000 1.146 443 M CB 0.107 32.604 32.600 -0.172 0.000 1.374 443 M HN 0.295 nan 8.290 nan 0.000 0.435 444 S N -1.524 114.236 115.700 0.100 0.000 2.514 444 S HA 0.313 4.782 4.470 -0.001 0.000 0.223 444 S C 1.545 176.170 174.600 0.042 0.000 1.046 444 S CA 0.496 58.747 58.200 0.085 0.000 0.914 444 S CB 0.577 63.820 63.200 0.072 0.000 0.807 444 S HN 0.575 nan 8.310 nan 0.000 0.497 445 G N 1.314 110.129 108.800 0.024 0.000 2.157 445 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.248 445 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.248 445 G C 0.076 174.936 174.900 -0.067 0.000 0.979 445 G CA 0.147 45.238 45.100 -0.015 0.000 0.650 445 G HN 0.633 nan 8.290 nan 0.000 0.529 446 R N -0.896 119.560 120.500 -0.072 0.000 2.892 446 R HA 0.722 5.061 4.340 -0.001 0.000 0.265 446 R C -0.713 175.512 176.300 -0.125 0.000 1.025 446 R CA -0.899 55.138 56.100 -0.104 0.000 0.982 446 R CB 1.355 31.600 30.300 -0.091 0.000 1.185 446 R HN 0.135 nan 8.270 nan 0.000 0.484 447 Q N 0.971 120.688 119.800 -0.138 0.000 2.365 447 Q HA 0.259 4.598 4.340 -0.001 0.000 0.269 447 Q C -1.570 174.408 176.000 -0.038 0.000 1.061 447 Q CA -0.820 54.881 55.803 -0.171 0.000 0.816 447 Q CB 1.298 29.847 28.738 -0.315 0.000 1.325 447 Q HN 0.488 nan 8.270 nan 0.000 0.446 448 Y N 1.562 121.906 120.300 0.073 0.000 2.346 448 Y HA 0.653 5.202 4.550 -0.001 0.000 0.330 448 Y C -2.129 173.859 175.900 0.146 0.000 1.178 448 Y CA -2.619 55.563 58.100 0.136 0.000 1.331 448 Y CB -0.116 38.473 38.460 0.214 0.000 1.253 448 Y HN 0.437 nan 8.280 nan 0.000 0.529 449 P HA 0.006 nan 4.420 nan 0.000 0.271 449 P C -0.021 177.342 177.300 0.105 0.000 1.233 449 P CA 0.091 63.240 63.100 0.083 0.000 0.764 449 P CB 1.602 33.256 31.700 -0.076 0.000 0.825 450 E N 5.093 125.376 120.200 0.138 0.000 2.077 450 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 450 E C 1.670 178.409 176.600 0.231 0.000 0.989 450 E CA 1.432 57.989 56.400 0.262 0.000 0.800 450 E CB -0.679 29.141 29.700 0.200 0.000 0.746 450 E HN 0.623 nan 8.360 nan 0.000 0.452 451 W N 0.184 121.602 121.300 0.197 0.000 2.331 451 W HA -0.137 4.522 4.660 -0.001 0.000 0.291 451 W C 1.563 178.227 176.519 0.242 0.000 1.214 451 W CA 1.304 58.755 57.345 0.177 0.000 1.228 451 W CB -0.932 28.607 29.460 0.130 0.000 1.135 451 W HN 0.188 nan 8.180 nan 0.000 0.537 452 A N 1.517 123.889 122.820 -0.748 0.000 2.030 452 A HA 0.240 4.559 4.320 -0.001 0.000 0.215 452 A C 2.358 179.957 177.584 0.025 0.000 1.164 452 A CA 1.280 52.907 52.037 -0.682 0.000 0.697 452 A CB -1.260 16.997 19.000 -1.239 0.000 0.827 452 A HN 0.339 nan 8.150 nan 0.000 0.457 453 G N 0.070 108.909 108.800 0.066 0.000 2.422 453 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.218 453 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.218 453 G C 1.643 176.457 174.900 -0.143 0.000 1.140 453 G CA 1.017 46.074 45.100 -0.072 0.000 0.775 453 G HN 0.534 nan 8.290 nan 0.000 0.545 454 K N -0.641 119.749 120.400 -0.017 0.000 2.062 454 K HA 0.091 4.411 4.320 -0.001 0.000 0.205 454 K C 2.320 179.024 176.600 0.173 0.000 1.051 454 K CA 0.683 56.976 56.287 0.011 0.000 0.941 454 K CB -0.247 32.345 32.500 0.152 0.000 0.719 454 K HN 0.241 nan 8.250 nan 0.000 0.440 455 L N 1.076 122.438 121.223 0.231 0.000 2.046 455 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 455 L C 2.332 179.286 176.870 0.141 0.000 1.077 455 L CA 1.824 56.789 54.840 0.208 0.000 0.747 455 L CB -0.677 41.471 42.059 0.149 0.000 0.896 455 L HN 0.307 nan 8.230 nan 0.000 0.432 456 H N -1.525 117.614 119.070 0.115 0.000 2.289 456 H HA -0.302 4.253 4.556 -0.001 0.000 0.296 456 H C 2.184 177.525 175.328 0.022 0.000 1.091 456 H CA 2.210 58.364 56.048 0.177 0.000 1.274 456 H CB -0.319 29.671 29.762 0.380 0.000 1.364 456 H HN 0.451 nan 8.280 nan 0.000 0.490 457 F N 0.493 120.101 119.950 -0.571 0.000 2.091 457 F HA -0.257 4.269 4.527 -0.001 0.000 0.299 457 F C 1.959 177.328 175.800 -0.718 0.000 1.103 457 F CA 2.037 59.264 58.000 -1.288 0.000 1.228 457 F CB -0.759 37.175 39.000 -1.777 0.000 0.984 457 F HN 0.199 nan 8.300 nan 0.000 0.477 458 W N 0.053 121.195 121.300 -0.262 0.000 2.418 458 W HA -0.124 4.535 4.660 -0.001 0.000 0.292 458 W C 2.498 178.934 176.519 -0.139 0.000 1.213 458 W CA 0.965 58.194 57.345 -0.195 0.000 1.283 458 W CB -0.383 29.068 29.460 -0.016 0.000 1.119 458 W HN 0.007 nan 8.180 nan 0.000 0.542 459 M N -0.919 118.744 119.600 0.105 0.000 2.117 459 M HA -0.219 4.260 4.480 -0.001 0.000 0.262 459 M C 2.224 178.571 176.300 0.079 0.000 1.065 459 M CA 1.521 56.873 55.300 0.087 0.000 1.114 459 M CB -0.585 32.056 32.600 0.069 0.000 1.361 459 M HN 0.035 nan 8.290 nan 0.000 0.408 460 M N 0.058 119.674 119.600 0.028 0.000 2.099 460 M HA -0.130 4.349 4.480 -0.001 0.000 0.262 460 M C 1.889 178.259 176.300 0.117 0.000 1.067 460 M CA 1.806 57.166 55.300 0.099 0.000 1.124 460 M CB -0.591 32.072 32.600 0.106 0.000 1.353 460 M HN 0.186 nan 8.290 nan 0.000 0.410 461 F N -0.444 119.345 119.950 -0.268 0.000 2.134 461 F HA -0.174 4.352 4.527 -0.001 0.000 0.299 461 F C 1.804 177.594 175.800 -0.016 0.000 1.097 461 F CA 1.629 59.518 58.000 -0.186 0.000 1.264 461 F CB -0.190 38.372 39.000 -0.730 0.000 1.001 461 F HN -0.017 nan 8.300 nan 0.000 0.479 462 V N 0.104 120.056 119.914 0.062 0.000 2.270 462 V HA -0.222 3.897 4.120 -0.001 0.000 0.245 462 V C 2.752 178.827 176.094 -0.032 0.000 1.043 462 V CA 1.946 64.258 62.300 0.020 0.000 1.014 462 V CB -1.607 30.278 31.823 0.104 0.000 0.645 462 V HN 0.518 nan 8.190 nan 0.000 0.447 463 G N -0.267 108.539 108.800 0.010 0.000 2.446 463 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 463 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 463 G C 1.776 176.641 174.900 -0.060 0.000 1.168 463 G CA 1.237 46.335 45.100 -0.004 0.000 0.771 463 G HN 0.617 nan 8.290 nan 0.000 0.551 464 A N 1.020 123.832 122.820 -0.013 0.000 1.902 464 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 464 A C 2.289 179.806 177.584 -0.111 0.000 1.181 464 A CA 1.796 53.828 52.037 -0.008 0.000 0.623 464 A CB -0.465 18.598 19.000 0.105 0.000 0.818 464 A HN 0.380 nan 8.150 nan 0.000 0.443 465 N N -0.091 118.517 118.700 -0.153 0.000 2.188 465 N HA -0.064 4.675 4.740 -0.001 0.000 0.184 465 N C 1.703 177.213 175.510 0.001 0.000 1.018 465 N CA 1.251 54.273 53.050 -0.046 0.000 0.858 465 N CB -0.311 38.101 38.487 -0.124 0.000 0.989 465 N HN 0.480 nan 8.380 nan 0.000 0.426 466 L N 0.756 121.938 121.223 -0.068 0.000 2.141 466 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 466 L C 2.219 178.994 176.870 -0.157 0.000 1.094 466 L CA 0.949 55.755 54.840 -0.057 0.000 0.763 466 L CB -0.497 41.528 42.059 -0.057 0.000 0.908 466 L HN 0.137 nan 8.230 nan 0.000 0.437 467 T N -0.712 113.642 114.554 -0.332 0.000 2.701 467 T HA -0.100 4.250 4.350 -0.001 0.000 0.263 467 T C 1.389 175.670 174.700 -0.698 0.000 1.040 467 T CA 1.475 63.172 62.100 -0.671 0.000 1.147 467 T CB -0.183 67.992 68.868 -1.155 0.000 0.865 467 T HN 0.125 nan 8.240 nan 0.000 0.426 468 F N -0.746 119.064 119.950 -0.235 0.000 2.622 468 F HA 0.401 4.927 4.527 -0.001 0.000 0.288 468 F C 1.694 177.411 175.800 -0.139 0.000 1.120 468 F CA -1.129 56.694 58.000 -0.295 0.000 1.423 468 F CB -0.552 38.121 39.000 -0.546 0.000 1.127 468 F HN 0.033 nan 8.300 nan 0.000 0.588 469 F N 2.366 122.378 119.950 0.103 0.000 2.134 469 F HA -0.082 4.445 4.527 -0.001 0.000 0.299 469 F C -0.738 174.830 175.800 -0.387 0.000 1.097 469 F CA 1.447 59.472 58.000 0.043 0.000 1.264 469 F CB -1.415 37.587 39.000 0.004 0.000 1.001 469 F HN -0.129 nan 8.300 nan 0.000 0.479 470 P HA -0.159 nan 4.420 nan 0.000 0.222 470 P C 1.020 178.093 177.300 -0.378 0.000 1.147 470 P CA 1.417 64.251 63.100 -0.444 0.000 0.790 470 P CB -0.178 31.580 31.700 0.097 0.000 0.780 471 Q N -1.601 118.007 119.800 -0.319 0.000 2.291 471 Q HA -0.183 4.156 4.340 -0.001 0.000 0.205 471 Q C 1.707 177.525 176.000 -0.303 0.000 0.970 471 Q CA 1.085 56.744 55.803 -0.239 0.000 0.876 471 Q CB -0.645 28.027 28.738 -0.109 0.000 0.935 471 Q HN 0.529 nan 8.270 nan 0.000 0.455 472 H N -0.796 117.974 119.070 -0.499 0.000 2.353 472 H HA -0.133 4.422 4.556 -0.001 0.000 0.300 472 H C 1.445 176.705 175.328 -0.114 0.000 1.090 472 H CA 1.488 57.255 56.048 -0.469 0.000 1.327 472 H CB 0.037 29.258 29.762 -0.901 0.000 1.383 472 H HN 0.189 nan 8.280 nan 0.000 0.508 473 F N 0.401 120.305 119.950 -0.077 0.000 2.102 473 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 473 F C 2.237 178.108 175.800 0.119 0.000 1.105 473 F CA 0.868 58.824 58.000 -0.075 0.000 1.239 473 F CB -1.063 37.651 39.000 -0.478 0.000 0.991 473 F HN 0.082 nan 8.300 nan 0.000 0.474 474 L N -0.323 121.068 121.223 0.280 0.000 2.042 474 L HA -0.162 4.178 4.340 -0.001 0.000 0.210 474 L C 2.766 179.773 176.870 0.228 0.000 1.076 474 L CA 1.503 56.481 54.840 0.229 0.000 0.749 474 L CB -1.466 40.552 42.059 -0.070 0.000 0.893 474 L HN 0.273 nan 8.230 nan 0.000 0.432 475 G N -0.271 108.685 108.800 0.260 0.000 2.418 475 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 475 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 475 G C 1.727 176.947 174.900 0.533 0.000 1.158 475 G CA 0.436 45.761 45.100 0.374 0.000 0.771 475 G HN 0.275 nan 8.290 nan 0.000 0.545 476 R N -0.270 120.546 120.500 0.527 0.000 2.120 476 R HA -0.007 4.332 4.340 -0.001 0.000 0.234 476 R C 2.458 179.023 176.300 0.442 0.000 1.123 476 R CA 1.059 57.437 56.100 0.464 0.000 0.975 476 R CB -0.089 30.416 30.300 0.341 0.000 0.866 476 R HN 0.279 nan 8.270 nan 0.000 0.446 477 Q N -0.675 119.397 119.800 0.455 0.000 2.403 477 Q HA 0.065 4.404 4.340 -0.001 0.000 0.203 477 Q C 0.732 177.065 176.000 0.554 0.000 0.932 477 Q CA 0.869 56.951 55.803 0.466 0.000 0.945 477 Q CB 1.302 30.327 28.738 0.478 0.000 1.045 477 Q HN 0.595 nan 8.270 nan 0.000 0.511 478 G N 1.528 110.600 108.800 0.453 0.000 2.131 478 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.201 478 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.201 478 G C 0.031 174.979 174.900 0.080 0.000 1.000 478 G CA 0.248 45.478 45.100 0.217 0.000 0.680 478 G HN 0.335 nan 8.290 nan 0.000 0.514 479 M N 1.641 121.139 119.600 -0.170 0.000 2.251 479 M HA 0.416 4.896 4.480 -0.001 0.000 0.346 479 M C -2.080 174.030 176.300 -0.317 0.000 1.499 479 M CA -1.520 53.365 55.300 -0.692 0.000 1.128 479 M CB 0.719 32.603 32.600 -1.194 0.000 1.809 479 M HN 0.010 nan 8.290 nan 0.000 0.464 480 P HA 0.222 nan 4.420 nan 0.000 0.274 480 P C -1.144 175.968 177.300 -0.313 0.000 1.237 480 P CA -0.249 62.563 63.100 -0.480 0.000 0.793 480 P CB 0.550 31.704 31.700 -0.911 0.000 0.977 481 R N 1.291 121.673 120.500 -0.197 0.000 2.679 481 R HA 0.292 4.631 4.340 -0.001 0.000 0.269 481 R C 0.494 176.871 176.300 0.128 0.000 1.076 481 R CA -0.215 55.823 56.100 -0.103 0.000 1.160 481 R CB 0.041 30.273 30.300 -0.114 0.000 1.054 481 R HN 0.450 nan 8.270 nan 0.000 0.507 482 R N -0.228 120.463 120.500 0.318 0.000 3.654 482 R HA -0.186 4.154 4.340 -0.001 0.000 0.302 482 R C -1.222 175.436 176.300 0.596 0.000 1.166 482 R CA 0.564 56.974 56.100 0.516 0.000 0.810 482 R CB -1.714 28.789 30.300 0.339 0.000 1.323 482 R HN 0.412 nan 8.270 nan 0.000 0.478 483 Y N 0.094 120.458 120.300 0.107 0.000 2.335 483 Y HA 0.263 4.812 4.550 -0.001 0.000 0.339 483 Y C 1.528 176.888 175.900 -0.900 0.000 0.987 483 Y CA -1.561 56.406 58.100 -0.221 0.000 1.140 483 Y CB 0.927 39.335 38.460 -0.087 0.000 1.173 483 Y HN 0.089 nan 8.280 nan 0.000 0.486 484 I N 1.082 121.081 120.570 -0.953 0.000 2.361 484 I HA -0.168 4.001 4.170 -0.001 0.000 0.251 484 I C 0.019 175.766 176.117 -0.617 0.000 1.133 484 I CA 1.655 62.281 61.300 -1.124 0.000 1.413 484 I CB 0.305 38.041 38.000 -0.440 0.000 1.073 484 I HN 0.584 nan 8.210 nan 0.000 0.424 485 D N -1.717 118.481 120.400 -0.336 0.000 2.583 485 D HA 0.381 5.020 4.640 -0.001 0.000 0.248 485 D C -1.621 174.686 176.300 0.012 0.000 1.209 485 D CA -0.354 53.505 54.000 -0.235 0.000 0.848 485 D CB 1.534 42.186 40.800 -0.246 0.000 1.431 485 D HN 0.097 nan 8.370 nan 0.000 0.436 486 Y N -1.937 118.381 120.300 0.030 0.000 2.552 486 Y HA 0.677 5.226 4.550 -0.001 0.000 0.337 486 Y C -2.792 173.232 175.900 0.207 0.000 1.094 486 Y CA -2.390 55.807 58.100 0.162 0.000 1.028 486 Y CB 0.285 38.807 38.460 0.103 0.000 1.321 486 Y HN 0.087 nan 8.280 nan 0.000 0.456 487 P HA -0.030 nan 4.420 nan 0.000 0.264 487 P C 0.662 178.133 177.300 0.284 0.000 1.179 487 P CA 0.450 63.724 63.100 0.289 0.000 0.763 487 P CB 0.951 32.799 31.700 0.248 0.000 0.806 488 E N 3.875 124.134 120.200 0.099 0.000 2.169 488 E HA -0.281 4.068 4.350 -0.001 0.000 0.202 488 E C 1.775 178.417 176.600 0.070 0.000 1.016 488 E CA 2.161 58.602 56.400 0.068 0.000 0.817 488 E CB -0.759 28.939 29.700 -0.003 0.000 0.736 488 E HN 0.491 nan 8.360 nan 0.000 0.462 489 A N -0.726 122.065 122.820 -0.047 0.000 2.125 489 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 489 A C 1.530 179.025 177.584 -0.148 0.000 1.156 489 A CA 1.074 53.015 52.037 -0.160 0.000 0.671 489 A CB -0.690 18.131 19.000 -0.297 0.000 0.794 489 A HN 0.345 nan 8.150 nan 0.000 0.459 490 F N -0.494 119.535 119.950 0.132 0.000 2.797 490 F HA 0.280 4.806 4.527 -0.001 0.000 0.302 490 F C 2.268 178.056 175.800 -0.019 0.000 1.130 490 F CA -0.149 57.867 58.000 0.026 0.000 1.387 490 F CB -0.470 38.453 39.000 -0.128 0.000 1.107 490 F HN 0.251 nan 8.300 nan 0.000 0.577 491 A N 0.020 122.997 122.820 0.261 0.000 1.865 491 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 491 A C 2.368 179.998 177.584 0.077 0.000 1.191 491 A CA 2.473 54.653 52.037 0.238 0.000 0.623 491 A CB -1.187 17.896 19.000 0.139 0.000 0.826 491 A HN 0.305 nan 8.150 nan 0.000 0.444 492 T N -1.089 113.410 114.554 -0.092 0.000 2.622 492 T HA -0.239 4.111 4.350 -0.001 0.000 0.266 492 T C 1.554 176.131 174.700 -0.205 0.000 1.047 492 T CA 1.791 63.714 62.100 -0.297 0.000 1.159 492 T CB -0.450 68.011 68.868 -0.679 0.000 0.863 492 T HN 0.744 nan 8.240 nan 0.000 0.422 493 W N 1.628 123.003 121.300 0.126 0.000 2.467 493 W HA 0.092 4.752 4.660 -0.001 0.000 0.275 493 W C 2.476 178.992 176.519 -0.004 0.000 1.239 493 W CA -0.406 57.011 57.345 0.121 0.000 1.266 493 W CB -0.315 29.272 29.460 0.212 0.000 1.112 493 W HN 0.202 nan 8.180 nan 0.000 0.576 494 N N 0.194 118.952 118.700 0.096 0.000 2.244 494 N HA -0.166 4.573 4.740 -0.001 0.000 0.183 494 N C 1.489 177.014 175.510 0.025 0.000 1.016 494 N CA 1.287 54.291 53.050 -0.076 0.000 0.866 494 N CB -0.574 37.739 38.487 -0.291 0.000 0.980 494 N HN 0.158 nan 8.380 nan 0.000 0.430 495 F N 1.978 121.913 119.950 -0.025 0.000 2.084 495 F HA -0.116 4.410 4.527 -0.001 0.000 0.296 495 F C 2.230 178.007 175.800 -0.039 0.000 1.111 495 F CA 0.890 58.877 58.000 -0.020 0.000 1.224 495 F CB -0.471 38.522 39.000 -0.013 0.000 0.991 495 F HN -0.266 nan 8.300 nan 0.000 0.471 496 V N -0.336 119.623 119.914 0.076 0.000 2.252 496 V HA -0.344 3.776 4.120 -0.001 0.000 0.249 496 V C 2.671 178.695 176.094 -0.117 0.000 1.056 496 V CA 2.145 64.462 62.300 0.028 0.000 1.022 496 V CB -1.389 30.629 31.823 0.324 0.000 0.641 496 V HN 0.531 nan 8.190 nan 0.000 0.445 497 S N -0.510 115.131 115.700 -0.097 0.000 2.374 497 S HA -0.242 4.227 4.470 -0.001 0.000 0.227 497 S C 2.221 176.559 174.600 -0.437 0.000 1.037 497 S CA 2.198 60.243 58.200 -0.258 0.000 1.024 497 S CB -0.352 62.696 63.200 -0.253 0.000 0.861 497 S HN 0.617 nan 8.310 nan 0.000 0.456 498 S N 1.236 116.646 115.700 -0.482 0.000 2.368 498 S HA 0.071 4.541 4.470 -0.001 0.000 0.225 498 S C 1.782 175.697 174.600 -1.142 0.000 1.030 498 S CA 1.258 58.973 58.200 -0.808 0.000 0.999 498 S CB -0.447 62.377 63.200 -0.626 0.000 0.844 498 S HN 0.478 nan 8.310 nan 0.000 0.459 499 L N 0.865 121.654 121.223 -0.723 0.000 2.046 499 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 499 L C 2.769 179.461 176.870 -0.296 0.000 1.077 499 L CA 1.296 55.875 54.840 -0.435 0.000 0.747 499 L CB -1.288 40.564 42.059 -0.346 0.000 0.896 499 L HN 0.421 nan 8.230 nan 0.000 0.432 500 G N -0.211 108.405 108.800 -0.307 0.000 2.440 500 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 500 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 500 G C 1.733 176.486 174.900 -0.245 0.000 1.154 500 G CA 0.884 45.843 45.100 -0.234 0.000 0.767 500 G HN 0.485 nan 8.290 nan 0.000 0.552 501 A N 0.079 122.654 122.820 -0.408 0.000 2.015 501 A HA 0.230 4.549 4.320 -0.001 0.000 0.219 501 A C 2.087 179.648 177.584 -0.038 0.000 1.163 501 A CA 1.169 53.017 52.037 -0.316 0.000 0.646 501 A CB -0.377 18.345 19.000 -0.464 0.000 0.806 501 A HN 0.259 nan 8.150 nan 0.000 0.448 502 F N -0.693 119.239 119.950 -0.029 0.000 2.206 502 F HA -0.016 4.510 4.527 -0.001 0.000 0.298 502 F C 1.964 177.843 175.800 0.131 0.000 1.090 502 F CA 0.609 58.646 58.000 0.061 0.000 1.323 502 F CB -1.039 37.963 39.000 0.002 0.000 1.028 502 F HN 0.259 nan 8.300 nan 0.000 0.492 503 L N -0.142 121.218 121.223 0.228 0.000 2.056 503 L HA -0.139 4.200 4.340 -0.001 0.000 0.207 503 L C 2.319 179.305 176.870 0.194 0.000 1.078 503 L CA 1.742 56.684 54.840 0.170 0.000 0.749 503 L CB -1.154 40.960 42.059 0.092 0.000 0.901 503 L HN -0.023 nan 8.230 nan 0.000 0.433 504 S N -0.641 115.166 115.700 0.179 0.000 2.400 504 S HA -0.194 4.276 4.470 -0.001 0.000 0.232 504 S C 1.771 176.585 174.600 0.358 0.000 1.025 504 S CA 1.588 59.927 58.200 0.232 0.000 0.993 504 S CB -0.660 62.639 63.200 0.165 0.000 0.808 504 S HN 0.541 nan 8.310 nan 0.000 0.478 505 F N 2.438 122.515 119.950 0.212 0.000 2.163 505 F HA 0.110 4.637 4.527 -0.001 0.000 0.297 505 F C 2.328 178.312 175.800 0.305 0.000 1.094 505 F CA 0.563 58.723 58.000 0.267 0.000 1.290 505 F CB -0.887 38.255 39.000 0.235 0.000 1.017 505 F HN 0.161 nan 8.300 nan 0.000 0.483 506 A N -0.161 122.787 122.820 0.214 0.000 1.908 506 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 506 A C 2.415 180.091 177.584 0.154 0.000 1.181 506 A CA 2.328 54.432 52.037 0.112 0.000 0.627 506 A CB -1.493 17.596 19.000 0.149 0.000 0.818 506 A HN 0.511 nan 8.150 nan 0.000 0.445 507 S N -1.572 114.266 115.700 0.229 0.000 2.399 507 S HA -0.158 4.311 4.470 -0.001 0.000 0.231 507 S C 1.790 176.630 174.600 0.399 0.000 1.022 507 S CA 1.506 59.899 58.200 0.321 0.000 0.983 507 S CB -0.587 62.821 63.200 0.345 0.000 0.803 507 S HN 0.512 nan 8.310 nan 0.000 0.480 508 F N 1.848 121.912 119.950 0.190 0.000 2.293 508 F HA 0.323 4.849 4.527 -0.001 0.000 0.297 508 F C 1.827 177.706 175.800 0.132 0.000 1.089 508 F CA 0.570 58.688 58.000 0.198 0.000 1.377 508 F CB -0.230 38.903 39.000 0.222 0.000 1.051 508 F HN 0.156 nan 8.300 nan 0.000 0.511 509 L N -1.312 119.888 121.223 -0.039 0.000 2.027 509 L HA -0.189 4.150 4.340 -0.001 0.000 0.206 509 L C 2.373 179.203 176.870 -0.066 0.000 1.074 509 L CA 1.307 56.059 54.840 -0.147 0.000 0.745 509 L CB -0.982 40.958 42.059 -0.198 0.000 0.898 509 L HN 0.142 nan 8.230 nan 0.000 0.433 510 F N 0.796 120.690 119.950 -0.093 0.000 2.065 510 F HA -0.365 4.161 4.527 -0.001 0.000 0.298 510 F C 2.465 178.165 175.800 -0.167 0.000 1.112 510 F CA 1.862 59.817 58.000 -0.075 0.000 1.212 510 F CB -0.526 38.478 39.000 0.006 0.000 0.975 510 F HN 0.029 nan 8.300 nan 0.000 0.476 511 F N 0.790 120.547 119.950 -0.322 0.000 2.087 511 F HA -0.281 4.245 4.527 -0.001 0.000 0.299 511 F C 1.906 177.423 175.800 -0.471 0.000 1.100 511 F CA 2.102 59.724 58.000 -0.630 0.000 1.226 511 F CB -0.814 37.596 39.000 -0.983 0.000 0.983 511 F HN 0.017 nan 8.300 nan 0.000 0.479 512 L N 0.136 120.994 121.223 -0.608 0.000 2.083 512 L HA -0.138 4.202 4.340 -0.001 0.000 0.209 512 L C 2.868 179.504 176.870 -0.390 0.000 1.083 512 L CA 1.288 55.781 54.840 -0.578 0.000 0.752 512 L CB -1.614 40.228 42.059 -0.361 0.000 0.899 512 L HN 0.388 nan 8.230 nan 0.000 0.433 513 G N -0.471 108.126 108.800 -0.337 0.000 2.422 513 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.218 513 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.218 513 G C 1.595 176.346 174.900 -0.248 0.000 1.146 513 G CA 0.884 45.838 45.100 -0.243 0.000 0.769 513 G HN 0.191 nan 8.290 nan 0.000 0.547 514 V N 1.486 121.113 119.914 -0.478 0.000 2.307 514 V HA -0.117 4.002 4.120 -0.001 0.000 0.245 514 V C 2.789 178.732 176.094 -0.252 0.000 1.045 514 V CA 1.073 63.135 62.300 -0.398 0.000 1.024 514 V CB -0.293 31.259 31.823 -0.452 0.000 0.651 514 V HN 0.276 nan 8.190 nan 0.000 0.449 515 I N -0.538 119.756 120.570 -0.460 0.000 2.286 515 I HA -0.244 3.925 4.170 -0.001 0.000 0.248 515 I C 2.348 178.399 176.117 -0.111 0.000 1.115 515 I CA 1.928 63.011 61.300 -0.362 0.000 1.392 515 I CB -1.095 36.554 38.000 -0.586 0.000 1.065 515 I HN 0.353 nan 8.210 nan 0.000 0.418 516 F N 1.206 121.043 119.950 -0.187 0.000 2.102 516 F HA -0.297 4.229 4.527 -0.001 0.000 0.298 516 F C 2.784 178.566 175.800 -0.030 0.000 1.105 516 F CA 1.593 59.542 58.000 -0.084 0.000 1.239 516 F CB -0.785 38.167 39.000 -0.081 0.000 0.991 516 F HN 0.052 nan 8.300 nan 0.000 0.474 517 Y N 0.785 121.041 120.300 -0.074 0.000 2.181 517 Y HA -0.236 4.314 4.550 -0.001 0.000 0.288 517 Y C 2.424 178.234 175.900 -0.150 0.000 1.146 517 Y CA 2.416 60.445 58.100 -0.119 0.000 1.164 517 Y CB -0.909 37.529 38.460 -0.036 0.000 0.982 517 Y HN 0.042 nan 8.280 nan 0.000 0.515 518 T N 1.151 115.702 114.554 -0.004 0.000 2.746 518 T HA -0.181 4.169 4.350 -0.001 0.000 0.267 518 T C 1.816 176.412 174.700 -0.173 0.000 1.039 518 T CA 1.895 63.963 62.100 -0.052 0.000 1.142 518 T CB -0.459 68.437 68.868 0.048 0.000 0.866 518 T HN 0.329 nan 8.240 nan 0.000 0.444 519 L N 1.039 122.152 121.223 -0.183 0.000 2.478 519 L HA 0.030 4.369 4.340 -0.001 0.000 0.223 519 L C 2.709 179.430 176.870 -0.249 0.000 1.140 519 L CA 1.036 55.780 54.840 -0.160 0.000 0.842 519 L CB -0.574 41.440 42.059 -0.075 0.000 0.953 519 L HN 0.470 nan 8.230 nan 0.000 0.452 520 T N -3.682 110.634 114.554 -0.397 0.000 3.111 520 T HA 0.062 4.412 4.350 -0.001 0.000 0.236 520 T C 1.572 176.051 174.700 -0.368 0.000 0.984 520 T CA -0.187 61.668 62.100 -0.407 0.000 1.195 520 T CB 0.067 68.578 68.868 -0.594 0.000 0.929 520 T HN 0.104 nan 8.240 nan 0.000 0.431 521 R N 1.336 121.517 120.500 -0.531 0.000 2.700 521 R HA 0.466 4.805 4.340 -0.001 0.000 0.399 521 R C 0.248 176.119 176.300 -0.715 0.000 1.115 521 R CA -0.427 55.346 56.100 -0.545 0.000 1.058 521 R CB 1.068 31.070 30.300 -0.495 0.000 1.389 521 R HN 0.491 nan 8.270 nan 0.000 0.582 522 G N 0.315 108.802 108.800 -0.521 0.000 2.356 522 G HA2 0.483 4.442 3.960 -0.001 0.000 0.322 522 G HA3 0.483 4.442 3.960 -0.001 0.000 0.322 522 G C 0.007 174.815 174.900 -0.154 0.000 1.125 522 G CA -0.526 44.385 45.100 -0.315 0.000 0.885 522 G HN 0.276 nan 8.290 nan 0.000 0.467 523 A N 2.947 125.725 122.820 -0.071 0.000 2.592 523 A HA 0.093 4.413 4.320 -0.001 0.000 0.250 523 A C 1.053 178.578 177.584 -0.098 0.000 1.017 523 A CA 0.415 52.414 52.037 -0.063 0.000 0.794 523 A CB -0.082 18.896 19.000 -0.036 0.000 0.917 523 A HN 0.752 nan 8.150 nan 0.000 0.515 524 R N 1.637 122.084 120.500 -0.088 0.000 2.643 524 R HA 0.302 4.641 4.340 -0.001 0.000 0.270 524 R C -0.314 175.922 176.300 -0.107 0.000 1.061 524 R CA -0.434 55.612 56.100 -0.091 0.000 1.107 524 R CB 0.582 30.842 30.300 -0.066 0.000 0.999 524 R HN 0.502 nan 8.270 nan 0.000 0.460 525 V N 2.415 122.255 119.914 -0.124 0.000 2.546 525 V HA 0.035 4.154 4.120 -0.001 0.000 0.284 525 V C 1.380 177.441 176.094 -0.054 0.000 1.050 525 V CA 0.199 62.414 62.300 -0.142 0.000 0.981 525 V CB 1.400 33.096 31.823 -0.210 0.000 0.990 525 V HN 1.050 nan 8.190 nan 0.000 0.474 526 T N 1.296 115.834 114.554 -0.028 0.000 3.056 526 T HA 0.332 4.681 4.350 -0.001 0.000 0.241 526 T C 0.819 175.544 174.700 0.042 0.000 1.006 526 T CA 0.556 62.659 62.100 0.005 0.000 1.115 526 T CB 0.217 69.085 68.868 0.000 0.000 0.939 526 T HN 0.780 nan 8.240 nan 0.000 0.462 527 A N 1.810 124.673 122.820 0.070 0.000 2.322 527 A HA 0.559 4.878 4.320 -0.001 0.000 0.269 527 A C 1.021 178.711 177.584 0.176 0.000 1.094 527 A CA -0.552 51.550 52.037 0.108 0.000 0.807 527 A CB 0.221 19.283 19.000 0.102 0.000 1.047 527 A HN 0.287 nan 8.150 nan 0.000 0.487 528 N N 0.750 119.542 118.700 0.155 0.000 2.058 528 N HA -0.096 4.643 4.740 -0.001 0.000 0.191 528 N C 0.306 175.990 175.510 0.290 0.000 1.037 528 N CA 1.421 54.590 53.050 0.199 0.000 0.848 528 N CB -0.142 38.437 38.487 0.153 0.000 1.021 528 N HN 0.685 nan 8.380 nan 0.000 0.422 529 N N 0.357 119.169 118.700 0.187 0.000 2.558 529 N HA 0.027 4.767 4.740 -0.001 0.000 0.242 529 N C -0.703 174.732 175.510 -0.125 0.000 0.979 529 N CA -0.353 52.718 53.050 0.034 0.000 0.931 529 N CB 0.287 38.772 38.487 -0.004 0.000 1.122 529 N HN 0.231 nan 8.380 nan 0.000 0.508 530 Y N 1.270 121.446 120.300 -0.208 0.000 2.493 530 Y HA 0.401 4.950 4.550 -0.001 0.000 0.275 530 Y C 0.755 176.391 175.900 -0.439 0.000 1.183 530 Y CA -0.877 57.026 58.100 -0.327 0.000 1.258 530 Y CB -0.351 37.878 38.460 -0.385 0.000 1.108 530 Y HN 0.355 nan 8.280 nan 0.000 0.521 531 W N 1.980 123.025 121.300 -0.426 0.000 3.549 531 W HA 0.238 4.898 4.660 -0.001 0.000 0.260 531 W C 0.068 176.413 176.519 -0.291 0.000 1.572 531 W CA 0.224 57.333 57.345 -0.393 0.000 2.140 531 W CB -0.049 28.954 29.460 -0.761 0.000 1.431 531 W HN 0.088 nan 8.180 nan 0.000 0.525 532 N N -1.395 117.250 118.700 -0.091 0.000 3.179 532 N HA 0.007 4.746 4.740 -0.001 0.000 0.250 532 N C 0.157 175.586 175.510 -0.136 0.000 1.507 532 N CA -0.335 52.665 53.050 -0.082 0.000 0.883 532 N CB 0.341 38.809 38.487 -0.031 0.000 1.435 532 N HN 0.103 nan 8.380 nan 0.000 0.532 533 E N -0.674 119.465 120.200 -0.102 0.000 2.401 533 E HA -0.219 4.130 4.350 -0.001 0.000 0.199 533 E C 0.083 176.515 176.600 -0.280 0.000 1.023 533 E CA 1.372 57.664 56.400 -0.181 0.000 0.859 533 E CB -0.552 29.026 29.700 -0.205 0.000 0.780 533 E HN 0.663 nan 8.360 nan 0.000 0.523 534 H N 0.589 119.577 119.070 -0.137 0.000 2.553 534 H HA 0.325 4.880 4.556 -0.001 0.000 0.265 534 H C 0.311 175.540 175.328 -0.165 0.000 0.964 534 H CA 0.572 56.542 56.048 -0.130 0.000 1.156 534 H CB 0.444 30.130 29.762 -0.128 0.000 1.411 534 H HN 0.174 nan 8.280 nan 0.000 0.558 535 A N 2.580 125.291 122.820 -0.181 0.000 2.915 535 A HA 0.026 4.345 4.320 -0.001 0.000 0.292 535 A C 0.268 177.817 177.584 -0.058 0.000 1.632 535 A CA -0.422 51.459 52.037 -0.260 0.000 1.337 535 A CB -0.537 17.933 19.000 -0.883 0.000 1.111 535 A HN 0.275 nan 8.150 nan 0.000 0.569 536 D N 1.450 121.885 120.400 0.059 0.000 2.587 536 D HA 0.053 4.693 4.640 -0.001 0.000 0.233 536 D C 0.361 176.765 176.300 0.172 0.000 1.213 536 D CA 0.197 54.248 54.000 0.086 0.000 0.827 536 D CB -0.451 40.352 40.800 0.005 0.000 1.006 536 D HN 0.373 nan 8.370 nan 0.000 0.490 537 T N -3.369 111.394 114.554 0.348 0.000 2.952 537 T HA 0.422 4.772 4.350 -0.001 0.000 0.286 537 T C 1.498 176.419 174.700 0.370 0.000 1.024 537 T CA -0.885 61.412 62.100 0.328 0.000 1.029 537 T CB 1.522 70.564 68.868 0.290 0.000 1.094 537 T HN -0.055 nan 8.240 nan 0.000 0.515 538 L N 0.881 122.283 121.223 0.299 0.000 2.187 538 L HA -0.086 4.254 4.340 -0.001 0.000 0.213 538 L C 3.012 179.985 176.870 0.171 0.000 1.100 538 L CA 1.481 56.452 54.840 0.218 0.000 0.765 538 L CB -0.550 41.615 42.059 0.177 0.000 0.904 538 L HN 0.861 nan 8.230 nan 0.000 0.437 539 E N -0.093 120.193 120.200 0.143 0.000 2.268 539 E HA -0.244 4.106 4.350 -0.001 0.000 0.195 539 E C 1.619 178.139 176.600 -0.134 0.000 0.995 539 E CA 1.178 57.554 56.400 -0.039 0.000 0.836 539 E CB -0.431 29.237 29.700 -0.053 0.000 0.763 539 E HN 0.621 nan 8.360 nan 0.000 0.491 540 W N 1.986 123.405 121.300 0.199 0.000 3.003 540 W HA 0.044 4.703 4.660 -0.001 0.000 0.257 540 W C 2.321 178.885 176.519 0.075 0.000 1.308 540 W CA 0.903 58.312 57.345 0.105 0.000 1.529 540 W CB 0.144 29.643 29.460 0.066 0.000 1.115 540 W HN 0.139 nan 8.180 nan 0.000 0.659 541 T N -1.749 112.948 114.554 0.238 0.000 3.067 541 T HA 0.111 4.460 4.350 -0.001 0.000 0.261 541 T C 0.743 175.511 174.700 0.112 0.000 1.110 541 T CA 0.391 62.583 62.100 0.153 0.000 1.113 541 T CB -0.294 68.646 68.868 0.119 0.000 0.917 541 T HN -0.101 nan 8.240 nan 0.000 0.499 542 L N 1.018 122.301 121.223 0.101 0.000 2.400 542 L HA 0.495 4.834 4.340 -0.001 0.000 0.264 542 L C 1.107 178.026 176.870 0.083 0.000 1.061 542 L CA -1.127 53.754 54.840 0.068 0.000 0.799 542 L CB 0.852 42.933 42.059 0.037 0.000 1.240 542 L HN 0.025 nan 8.230 nan 0.000 0.461 543 T N -0.664 113.927 114.554 0.061 0.000 2.726 543 T HA 0.174 4.523 4.350 -0.001 0.000 0.294 543 T C -0.023 174.728 174.700 0.085 0.000 1.013 543 T CA -0.329 61.812 62.100 0.069 0.000 0.996 543 T CB 0.553 69.445 68.868 0.040 0.000 1.016 543 T HN 0.546 nan 8.240 nan 0.000 0.529 544 S N 3.835 119.591 115.700 0.094 0.000 2.718 544 S HA 0.442 4.911 4.470 -0.001 0.000 0.294 544 S C -2.534 172.103 174.600 0.061 0.000 1.157 544 S CA -0.906 57.360 58.200 0.111 0.000 1.121 544 S CB 1.471 64.780 63.200 0.181 0.000 1.015 544 S HN 0.659 nan 8.310 nan 0.000 0.479 545 P HA 0.382 nan 4.420 nan 0.000 0.274 545 P C -2.888 174.428 177.300 0.027 0.000 1.246 545 P CA -1.709 61.428 63.100 0.060 0.000 0.795 545 P CB -0.504 31.226 31.700 0.050 0.000 1.006 546 P HA 0.206 nan 4.420 nan 0.000 0.271 546 P C -2.270 174.989 177.300 -0.070 0.000 1.233 546 P CA -0.862 62.219 63.100 -0.031 0.000 0.789 546 P CB -1.300 30.357 31.700 -0.071 0.000 0.951 547 P HA 0.128 nan 4.420 nan 0.000 0.274 547 P C 0.726 177.948 177.300 -0.129 0.000 1.237 547 P CA -0.093 62.967 63.100 -0.066 0.000 0.793 547 P CB 0.466 32.154 31.700 -0.021 0.000 0.977 548 E N -0.219 119.892 120.200 -0.148 0.000 2.086 548 E HA -0.238 4.111 4.350 -0.001 0.000 0.205 548 E C -0.109 176.227 176.600 -0.439 0.000 1.027 548 E CA 1.670 57.891 56.400 -0.298 0.000 0.830 548 E CB -0.364 29.185 29.700 -0.252 0.000 0.751 548 E HN 0.613 nan 8.360 nan 0.000 0.456 549 H N -0.783 118.224 119.070 -0.105 0.000 2.466 549 H HA 0.285 4.841 4.556 -0.001 0.000 0.338 549 H C -0.041 175.248 175.328 -0.066 0.000 1.091 549 H CA -0.304 55.694 56.048 -0.083 0.000 1.207 549 H CB 1.677 31.400 29.762 -0.064 0.000 1.466 549 H HN 0.025 nan 8.280 nan 0.000 0.493 550 T N 0.000 114.578 114.554 0.040 0.000 3.816 550 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 550 T CA 0.000 62.109 62.100 0.015 0.000 1.349 550 T CB 0.000 68.863 68.868 -0.009 0.000 0.612 550 T HN 0.000 nan 8.240 nan 0.000 0.658