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 1bpm_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKGLVLGIYS KXXXEDEPQF TSAGENFNKL VSGKLREILN ISGPPLKAGK DATA SEQUENCE TRTFYGLHED FPSVVVVGLG KKTAGIDEQE NWHEGKENIR AAVAAGCRQI DATA SEQUENCE QDLEIPSVEV DPCGDAQAAA EGAVLGLYEY DDLKQKRKVV VSAKLHGSED DATA SEQUENCE QEAWQRGVLF ASGQNLARRL METPANEMTP TKFAEIVEEN LKSASIKTDV DATA SEQUENCE FIRPKSWIEE QEMGSFLSVA KGSEEPPVFL EIHYKGSPNA SEPPLVFVGK DATA SEQUENCE GITFDSGGIS IKAAANMDLM RADMGGAATI CSAIVSAAKL DLPINIVGLA DATA SEQUENCE PLCENMPSGK ANKPGDVVRA RNGKTIQVDN TDAEGRLILA DALCYAHTFN DATA SEQUENCE PKVIINAATL TGAMDIALGS GATGVFTNSS WLWNKLFEAS IETGDRVWRM DATA SEQUENCE PLFEHYTRQV IDCQLADVNN IGKYRSAGAC TAAAFLKEFV THPKWAHLDI DATA SEQUENCE AGVMTNKDEV PYLRKGMAGR PTRTLIEFLF RFSQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.672 174.700 -0.046 0.000 1.109 1 T CA 0.000 62.051 62.100 -0.081 0.000 1.349 1 T CB 0.000 68.794 68.868 -0.124 0.000 0.612 2 K N 1.695 122.055 120.400 -0.067 0.000 2.480 2 K HA 0.787 5.107 4.320 -0.000 0.000 0.258 2 K C 0.006 176.680 176.600 0.123 0.000 0.990 2 K CA -0.513 55.782 56.287 0.015 0.000 0.857 2 K CB 1.243 33.748 32.500 0.009 0.000 1.384 2 K HN 0.250 nan 8.250 nan 0.000 0.446 3 G N 0.093 108.987 108.800 0.157 0.000 2.557 3 G HA2 0.545 4.505 3.960 -0.000 0.000 0.292 3 G HA3 0.545 4.505 3.960 -0.000 0.000 0.292 3 G C -1.300 173.735 174.900 0.226 0.000 1.237 3 G CA -0.557 44.658 45.100 0.193 0.000 0.978 3 G HN 0.490 nan 8.290 nan 0.000 0.498 4 L N -0.647 120.601 121.223 0.042 0.000 2.526 4 L HA 0.570 4.909 4.340 -0.000 0.000 0.263 4 L C -1.107 175.619 176.870 -0.240 0.000 0.943 4 L CA -0.627 54.103 54.840 -0.183 0.000 0.859 4 L CB 2.264 43.941 42.059 -0.636 0.000 1.313 4 L HN 0.342 nan 8.230 nan 0.000 0.406 5 V N 5.811 125.594 119.914 -0.218 0.000 2.334 5 V HA 0.521 4.640 4.120 -0.000 0.000 0.281 5 V C -0.427 175.515 176.094 -0.253 0.000 1.016 5 V CA -0.428 61.761 62.300 -0.185 0.000 0.832 5 V CB 1.394 33.164 31.823 -0.088 0.000 0.999 5 V HN 0.575 nan 8.190 nan 0.000 0.439 6 L N 4.301 125.372 121.223 -0.252 0.000 2.334 6 L HA 0.927 5.266 4.340 -0.000 0.000 0.270 6 L C 0.570 177.374 176.870 -0.111 0.000 1.018 6 L CA 0.159 54.856 54.840 -0.238 0.000 0.811 6 L CB 1.834 43.722 42.059 -0.285 0.000 1.271 6 L HN 0.658 nan 8.230 nan 0.000 0.443 7 G N 1.798 110.557 108.800 -0.069 0.000 2.533 7 G HA2 0.727 4.686 3.960 -0.000 0.000 0.304 7 G HA3 0.727 4.686 3.960 -0.000 0.000 0.304 7 G C -1.711 173.215 174.900 0.044 0.000 1.263 7 G CA -0.306 44.751 45.100 -0.072 0.000 0.964 7 G HN 0.604 nan 8.290 nan 0.000 0.479 8 I N -0.618 119.878 120.570 -0.123 0.000 3.095 8 I HA 0.684 4.854 4.170 -0.000 0.000 0.310 8 I C -1.145 174.741 176.117 -0.385 0.000 1.196 8 I CA -1.183 60.032 61.300 -0.142 0.000 0.985 8 I CB 2.128 40.037 38.000 -0.151 0.000 1.250 8 I HN 0.546 nan 8.210 nan 0.000 0.446 9 Y N 1.656 121.924 120.300 -0.053 0.000 2.853 9 Y HA 0.557 5.106 4.550 -0.000 0.000 0.332 9 Y C 0.731 176.593 175.900 -0.064 0.000 1.229 9 Y CA -0.530 57.544 58.100 -0.042 0.000 1.177 9 Y CB 0.335 38.780 38.460 -0.025 0.000 1.435 9 Y HN 0.383 nan 8.280 nan 0.000 0.659 10 S N -0.571 115.221 115.700 0.153 0.000 2.623 10 S HA 0.292 4.762 4.470 -0.000 0.000 0.278 10 S C -0.174 174.442 174.600 0.027 0.000 1.148 10 S CA -0.908 57.324 58.200 0.054 0.000 1.028 10 S CB 0.671 63.899 63.200 0.048 0.000 1.145 10 S HN 0.314 nan 8.310 nan 0.000 0.523 16 D N -0.905 119.485 120.400 -0.016 0.000 1.861 16 D HA 0.150 4.790 4.640 -0.000 0.000 0.637 16 D C -0.074 176.216 176.300 -0.018 0.000 0.769 16 D CA -0.089 53.903 54.000 -0.014 0.000 1.136 16 D CB 1.243 42.036 40.800 -0.011 0.000 1.415 16 D HN 0.021 nan 8.370 nan 0.000 0.465 17 E N 0.889 121.074 120.200 -0.026 0.000 2.830 17 E HA 0.159 4.509 4.350 -0.000 0.000 0.333 17 E C -2.912 173.653 176.600 -0.059 0.000 0.974 17 E CA -1.631 54.745 56.400 -0.040 0.000 0.819 17 E CB 1.685 31.365 29.700 -0.033 0.000 1.293 17 E HN -0.151 nan 8.360 nan 0.000 0.419 18 P HA -0.058 nan 4.420 nan 0.000 0.258 18 P C -0.559 176.652 177.300 -0.148 0.000 1.187 18 P CA 0.069 63.113 63.100 -0.094 0.000 0.767 18 P CB 0.642 32.273 31.700 -0.115 0.000 0.770 19 Q N 2.420 122.201 119.800 -0.031 0.000 2.392 19 Q HA 0.273 4.613 4.340 -0.000 0.000 0.262 19 Q C -0.138 175.936 176.000 0.123 0.000 1.003 19 Q CA 0.321 56.148 55.803 0.039 0.000 0.888 19 Q CB -0.123 28.650 28.738 0.059 0.000 1.260 19 Q HN 0.339 nan 8.270 nan 0.000 0.435 20 F N -0.179 119.860 119.950 0.149 0.000 2.370 20 F HA 0.270 4.797 4.527 -0.000 0.000 0.324 20 F C 0.795 176.719 175.800 0.207 0.000 1.116 20 F CA -0.533 57.545 58.000 0.131 0.000 1.123 20 F CB 0.769 39.808 39.000 0.065 0.000 1.238 20 F HN 0.272 nan 8.300 nan 0.000 0.536 21 T N 0.580 115.376 114.554 0.403 0.000 2.901 21 T HA 0.090 4.440 4.350 -0.000 0.000 0.301 21 T C 1.305 176.096 174.700 0.151 0.000 1.012 21 T CA 0.043 62.314 62.100 0.285 0.000 1.135 21 T CB 0.792 69.735 68.868 0.126 0.000 0.936 21 T HN 0.690 nan 8.240 nan 0.000 0.539 22 S N 2.554 118.322 115.700 0.113 0.000 2.421 22 S HA -0.300 4.170 4.470 -0.000 0.000 0.239 22 S C 2.335 176.937 174.600 0.003 0.000 1.054 22 S CA 1.109 59.341 58.200 0.053 0.000 1.035 22 S CB -0.912 62.315 63.200 0.045 0.000 0.840 22 S HN 0.874 nan 8.310 nan 0.000 0.475 23 A N 2.127 124.930 122.820 -0.028 0.000 1.908 23 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 23 A C 2.457 179.932 177.584 -0.181 0.000 1.181 23 A CA 1.751 53.727 52.037 -0.101 0.000 0.627 23 A CB -1.776 17.083 19.000 -0.234 0.000 0.818 23 A HN 0.672 nan 8.150 nan 0.000 0.445 24 G N -0.837 107.827 108.800 -0.225 0.000 2.421 24 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 24 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 24 G C 1.466 176.085 174.900 -0.469 0.000 1.171 24 G CA 0.949 45.798 45.100 -0.419 0.000 0.775 24 G HN 0.434 nan 8.290 nan 0.000 0.543 25 E N 0.676 120.746 120.200 -0.218 0.000 2.085 25 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 25 E C 2.338 178.882 176.600 -0.093 0.000 0.994 25 E CA 0.613 56.957 56.400 -0.093 0.000 0.801 25 E CB -0.354 29.372 29.700 0.044 0.000 0.743 25 E HN 0.434 nan 8.360 nan 0.000 0.453 26 N N -0.266 118.393 118.700 -0.068 0.000 2.106 26 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 26 N C 1.846 177.309 175.510 -0.078 0.000 1.029 26 N CA 0.799 53.822 53.050 -0.045 0.000 0.848 26 N CB -0.228 38.259 38.487 0.000 0.000 1.007 26 N HN 0.096 nan 8.380 nan 0.000 0.423 27 F N 1.830 121.657 119.950 -0.205 0.000 2.365 27 F HA -0.047 4.479 4.527 -0.000 0.000 0.300 27 F C 2.062 177.739 175.800 -0.205 0.000 1.090 27 F CA 0.836 58.699 58.000 -0.229 0.000 1.408 27 F CB -0.269 38.527 39.000 -0.340 0.000 1.060 27 F HN 0.049 nan 8.300 nan 0.000 0.534 28 N N 0.583 119.130 118.700 -0.254 0.000 2.109 28 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 28 N C 1.725 177.103 175.510 -0.221 0.000 1.034 28 N CA 1.647 54.550 53.050 -0.246 0.000 0.846 28 N CB -0.161 38.222 38.487 -0.173 0.000 1.010 28 N HN 0.183 nan 8.380 nan 0.000 0.425 29 K N 0.023 120.329 120.400 -0.157 0.000 2.127 29 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 29 K C 1.752 178.268 176.600 -0.140 0.000 1.047 29 K CA 0.844 57.064 56.287 -0.112 0.000 0.927 29 K CB -0.191 32.264 32.500 -0.075 0.000 0.716 29 K HN 0.182 nan 8.250 nan 0.000 0.450 30 L N 0.583 121.677 121.223 -0.216 0.000 2.046 30 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 30 L C 2.127 178.850 176.870 -0.245 0.000 1.077 30 L CA 1.759 56.455 54.840 -0.241 0.000 0.747 30 L CB -0.710 41.137 42.059 -0.353 0.000 0.896 30 L HN 0.132 nan 8.230 nan 0.000 0.432 31 V N -4.108 115.590 119.914 -0.360 0.000 3.577 31 V HA 0.229 4.349 4.120 -0.000 0.000 0.294 31 V C 0.877 176.893 176.094 -0.129 0.000 1.317 31 V CA 0.034 62.205 62.300 -0.215 0.000 1.169 31 V CB -0.230 31.433 31.823 -0.267 0.000 1.011 31 V HN 0.448 nan 8.190 nan 0.000 0.426 32 S N 0.986 116.612 115.700 -0.122 0.000 3.766 32 S HA -0.067 4.402 4.470 -0.000 0.000 0.416 32 S C 1.513 176.075 174.600 -0.063 0.000 0.902 32 S CA 1.160 59.314 58.200 -0.076 0.000 1.283 32 S CB -1.626 61.544 63.200 -0.050 0.000 0.891 32 S HN 2.300 nan 8.310 nan 0.000 0.556 33 G N 1.100 109.860 108.800 -0.068 0.000 2.382 33 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.259 33 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.259 33 G C 0.734 175.613 174.900 -0.035 0.000 1.009 33 G CA 0.897 45.975 45.100 -0.036 0.000 0.625 33 G HN 0.602 nan 8.290 nan 0.000 0.541 34 K N 0.372 120.740 120.400 -0.053 0.000 2.585 34 K HA 0.240 4.560 4.320 -0.000 0.000 0.194 34 K C 2.113 178.668 176.600 -0.075 0.000 1.037 34 K CA 0.612 56.867 56.287 -0.053 0.000 0.964 34 K CB -0.292 32.183 32.500 -0.041 0.000 0.787 34 K HN 0.575 nan 8.250 nan 0.000 0.488 35 L N 0.089 121.279 121.223 -0.056 0.000 2.130 35 L HA -0.058 4.282 4.340 -0.000 0.000 0.200 35 L C 2.441 179.286 176.870 -0.043 0.000 1.075 35 L CA 0.924 55.731 54.840 -0.056 0.000 0.768 35 L CB -0.128 41.963 42.059 0.053 0.000 0.933 35 L HN 0.052 nan 8.230 nan 0.000 0.451 36 R N 0.791 121.353 120.500 0.105 0.000 2.113 36 R HA -0.299 4.041 4.340 -0.000 0.000 0.244 36 R C 2.152 178.455 176.300 0.005 0.000 1.142 36 R CA 2.466 58.662 56.100 0.159 0.000 0.953 36 R CB -0.586 29.812 30.300 0.164 0.000 0.860 36 R HN 0.558 nan 8.270 nan 0.000 0.438 37 E N -0.665 119.516 120.200 -0.032 0.000 2.051 37 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 37 E C 1.831 178.368 176.600 -0.105 0.000 0.991 37 E CA 1.570 57.938 56.400 -0.054 0.000 0.799 37 E CB -0.240 29.433 29.700 -0.045 0.000 0.748 37 E HN 0.428 nan 8.360 nan 0.000 0.449 38 I N 0.751 121.198 120.570 -0.206 0.000 2.676 38 I HA -0.126 4.044 4.170 -0.000 0.000 0.259 38 I C 2.039 177.947 176.117 -0.347 0.000 1.194 38 I CA 0.608 61.730 61.300 -0.296 0.000 1.473 38 I CB 0.002 37.732 38.000 -0.450 0.000 1.096 38 I HN 0.247 nan 8.210 nan 0.000 0.443 39 L N -0.086 120.934 121.223 -0.337 0.000 2.141 39 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 39 L C 1.999 178.862 176.870 -0.012 0.000 1.094 39 L CA 1.660 56.430 54.840 -0.115 0.000 0.763 39 L CB -0.442 41.615 42.059 -0.004 0.000 0.908 39 L HN 0.359 nan 8.230 nan 0.000 0.437 40 N N -0.043 118.633 118.700 -0.040 0.000 2.080 40 N HA -0.178 4.562 4.740 -0.000 0.000 0.189 40 N C 1.809 177.318 175.510 -0.002 0.000 1.036 40 N CA 1.430 54.470 53.050 -0.017 0.000 0.846 40 N CB -0.110 38.364 38.487 -0.022 0.000 1.015 40 N HN 0.207 nan 8.380 nan 0.000 0.423 41 I N 0.812 121.374 120.570 -0.014 0.000 2.264 41 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 41 I C 2.304 178.444 176.117 0.038 0.000 1.111 41 I CA 1.037 62.340 61.300 0.005 0.000 1.382 41 I CB -0.535 37.461 38.000 -0.007 0.000 1.060 41 I HN 0.265 nan 8.210 nan 0.000 0.418 42 S N 0.048 115.790 115.700 0.070 0.000 2.348 42 S HA 0.092 4.562 4.470 -0.000 0.000 0.221 42 S C 1.149 175.806 174.600 0.095 0.000 1.033 42 S CA 0.773 59.055 58.200 0.136 0.000 1.010 42 S CB -0.553 62.831 63.200 0.306 0.000 0.891 42 S HN 0.561 nan 8.310 nan 0.000 0.442 43 G N 1.268 110.113 108.800 0.076 0.000 2.435 43 G HA2 0.445 4.405 3.960 -0.000 0.000 0.228 43 G HA3 0.445 4.405 3.960 -0.000 0.000 0.228 43 G C -2.965 171.956 174.900 0.035 0.000 1.198 43 G CA -0.328 44.801 45.100 0.048 0.000 0.948 43 G HN 0.341 nan 8.290 nan 0.000 0.487 44 P HA 0.302 nan 4.420 nan 0.000 0.273 44 P C -2.427 174.881 177.300 0.014 0.000 1.258 44 P CA -0.389 62.719 63.100 0.015 0.000 0.802 44 P CB -0.201 31.505 31.700 0.010 0.000 1.040 45 P HA 0.269 nan 4.420 nan 0.000 0.276 45 P C -0.598 176.697 177.300 -0.009 0.000 1.252 45 P CA -0.319 62.776 63.100 -0.009 0.000 0.802 45 P CB 0.668 32.355 31.700 -0.023 0.000 1.035 46 L N 1.741 122.953 121.223 -0.018 0.000 2.302 46 L HA 0.225 4.565 4.340 -0.000 0.000 0.285 46 L C 1.304 178.158 176.870 -0.026 0.000 1.090 46 L CA -0.612 54.215 54.840 -0.022 0.000 0.866 46 L CB -0.227 41.816 42.059 -0.026 0.000 1.244 46 L HN 0.391 nan 8.230 nan 0.000 0.435 47 K N 2.328 122.719 120.400 -0.015 0.000 2.234 47 K HA 0.484 4.803 4.320 -0.000 0.000 0.251 47 K C 0.357 176.948 176.600 -0.016 0.000 1.011 47 K CA -0.462 55.819 56.287 -0.009 0.000 0.889 47 K CB 0.413 32.913 32.500 0.000 0.000 1.011 47 K HN 0.375 nan 8.250 nan 0.000 0.505 48 A N 0.630 123.444 122.820 -0.010 0.000 2.584 48 A HA 0.312 4.632 4.320 -0.000 0.000 0.239 48 A C 1.409 178.986 177.584 -0.012 0.000 1.043 48 A CA 0.607 52.634 52.037 -0.016 0.000 0.756 48 A CB -1.499 17.501 19.000 0.000 0.000 0.963 48 A HN 1.345 nan 8.150 nan 0.000 0.511 49 G N 1.476 110.262 108.800 -0.024 0.000 2.179 49 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.260 49 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.260 49 G C 0.490 175.377 174.900 -0.021 0.000 0.977 49 G CA 0.755 45.846 45.100 -0.015 0.000 0.641 49 G HN 0.777 nan 8.290 nan 0.000 0.533 50 K N 0.314 120.697 120.400 -0.028 0.000 2.098 50 K HA 0.695 5.015 4.320 -0.000 0.000 0.244 50 K C -0.260 176.310 176.600 -0.050 0.000 1.014 50 K CA 0.061 56.329 56.287 -0.032 0.000 0.917 50 K CB 1.139 33.624 32.500 -0.025 0.000 1.072 50 K HN 0.119 nan 8.250 nan 0.000 0.477 51 T N 1.284 115.800 114.554 -0.064 0.000 2.993 51 T HA 0.387 4.737 4.350 -0.000 0.000 0.312 51 T C -1.121 173.490 174.700 -0.149 0.000 1.115 51 T CA -0.627 61.414 62.100 -0.098 0.000 1.027 51 T CB 1.857 70.675 68.868 -0.083 0.000 1.116 51 T HN 0.470 nan 8.240 nan 0.000 0.464 52 R N 1.376 121.731 120.500 -0.242 0.000 2.673 52 R HA 0.687 5.027 4.340 -0.000 0.000 0.281 52 R C -1.348 174.514 176.300 -0.730 0.000 0.991 52 R CA -0.530 55.321 56.100 -0.415 0.000 0.896 52 R CB 1.697 31.780 30.300 -0.360 0.000 1.201 52 R HN 0.606 nan 8.270 nan 0.000 0.457 53 T N 4.206 118.296 114.554 -0.774 0.000 2.815 53 T HA 0.459 4.809 4.350 -0.000 0.000 0.289 53 T C -1.230 172.859 174.700 -1.019 0.000 1.000 53 T CA -0.346 61.261 62.100 -0.822 0.000 0.958 53 T CB 0.397 68.939 68.868 -0.544 0.000 0.944 53 T HN 0.228 nan 8.240 nan 0.000 0.442 54 F N 3.183 122.887 119.950 -0.411 0.000 2.375 54 F HA 0.481 5.008 4.527 -0.000 0.000 0.361 54 F C -0.183 175.461 175.800 -0.260 0.000 1.117 54 F CA -1.832 55.991 58.000 -0.295 0.000 1.037 54 F CB 0.315 39.266 39.000 -0.081 0.000 1.192 54 F HN 0.481 nan 8.300 nan 0.000 0.452 55 Y N 0.248 120.677 120.300 0.215 0.000 2.301 55 Y HA 0.469 5.018 4.550 -0.000 0.000 0.325 55 Y C 1.363 177.364 175.900 0.168 0.000 1.203 55 Y CA -0.716 57.477 58.100 0.154 0.000 1.255 55 Y CB 0.950 39.472 38.460 0.102 0.000 1.232 55 Y HN 0.846 nan 8.280 nan 0.000 0.501 56 G N 1.621 110.628 108.800 0.345 0.000 2.233 56 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.270 56 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.270 56 G C 0.707 175.737 174.900 0.217 0.000 1.011 56 G CA 0.761 46.001 45.100 0.233 0.000 0.762 56 G HN 0.700 nan 8.290 nan 0.000 0.511 57 L N -1.406 119.989 121.223 0.287 0.000 2.201 57 L HA 0.126 4.466 4.340 -0.000 0.000 0.212 57 L C 1.385 178.455 176.870 0.334 0.000 1.105 57 L CA 1.007 56.020 54.840 0.288 0.000 0.775 57 L CB -0.153 42.139 42.059 0.387 0.000 0.913 57 L HN 0.472 nan 8.230 nan 0.000 0.440 58 H N -0.494 118.783 119.070 0.346 0.000 2.717 58 H HA 0.151 4.706 4.556 -0.000 0.000 0.366 58 H C 0.107 175.581 175.328 0.243 0.000 1.132 58 H CA -0.526 55.732 56.048 0.350 0.000 1.180 58 H CB 2.227 32.408 29.762 0.698 0.000 1.678 58 H HN -0.098 nan 8.280 nan 0.000 0.537 59 E N 1.533 121.323 120.200 -0.684 0.000 2.023 59 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 59 E C 1.135 177.638 176.600 -0.161 0.000 1.003 59 E CA 1.769 57.938 56.400 -0.385 0.000 0.809 59 E CB 0.150 29.565 29.700 -0.474 0.000 0.755 59 E HN 0.561 nan 8.360 nan 0.000 0.449 60 D N -1.215 119.135 120.400 -0.084 0.000 2.348 60 D HA -0.036 4.603 4.640 -0.000 0.000 0.211 60 D C -0.634 175.457 176.300 -0.349 0.000 0.998 60 D CA 0.120 54.044 54.000 -0.126 0.000 0.873 60 D CB 0.258 41.003 40.800 -0.092 0.000 0.925 60 D HN 0.043 nan 8.370 nan 0.000 0.524 61 F N 0.070 120.244 119.950 0.373 0.000 2.564 61 F HA 0.368 4.895 4.527 -0.000 0.000 0.361 61 F C -1.654 174.268 175.800 0.205 0.000 1.161 61 F CA -2.204 55.932 58.000 0.226 0.000 1.198 61 F CB 1.870 40.968 39.000 0.163 0.000 1.424 61 F HN -0.209 nan 8.300 nan 0.000 0.517 62 P HA -0.158 nan 4.420 nan 0.000 0.214 62 P C 0.002 177.487 177.300 0.308 0.000 1.172 62 P CA 1.458 64.702 63.100 0.240 0.000 0.925 62 P CB 0.214 32.010 31.700 0.161 0.000 0.793 63 S N -0.417 115.442 115.700 0.265 0.000 2.420 63 S HA 0.312 4.781 4.470 -0.000 0.000 0.313 63 S C -0.276 174.357 174.600 0.055 0.000 1.079 63 S CA -0.553 57.757 58.200 0.183 0.000 1.104 63 S CB 0.606 63.917 63.200 0.185 0.000 0.969 63 S HN -0.229 nan 8.310 nan 0.000 0.471 64 V N 5.206 125.109 119.914 -0.018 0.000 2.288 64 V HA 0.205 4.325 4.120 -0.000 0.000 0.266 64 V C -0.032 175.953 176.094 -0.181 0.000 1.048 64 V CA -0.536 61.672 62.300 -0.154 0.000 0.842 64 V CB 0.884 32.609 31.823 -0.164 0.000 1.064 64 V HN 0.679 nan 8.190 nan 0.000 0.472 65 V N 6.429 126.221 119.914 -0.202 0.000 2.455 65 V HA 0.270 4.389 4.120 -0.000 0.000 0.273 65 V C 0.241 176.225 176.094 -0.183 0.000 1.045 65 V CA -0.316 61.843 62.300 -0.234 0.000 0.976 65 V CB 1.339 33.060 31.823 -0.170 0.000 0.993 65 V HN 0.535 nan 8.190 nan 0.000 0.475 66 V N 6.167 125.984 119.914 -0.162 0.000 2.427 66 V HA 0.594 4.714 4.120 -0.000 0.000 0.286 66 V C 0.042 176.102 176.094 -0.058 0.000 1.034 66 V CA -0.476 61.811 62.300 -0.023 0.000 0.893 66 V CB 1.679 33.620 31.823 0.197 0.000 0.982 66 V HN 0.778 nan 8.190 nan 0.000 0.452 67 V N 1.516 121.395 119.914 -0.058 0.000 2.769 67 V HA 0.960 5.080 4.120 -0.000 0.000 0.312 67 V C 0.397 176.437 176.094 -0.089 0.000 1.061 67 V CA -0.596 61.659 62.300 -0.076 0.000 0.931 67 V CB 1.687 33.462 31.823 -0.081 0.000 1.010 67 V HN 0.925 nan 8.190 nan 0.000 0.433 68 G N 2.394 111.144 108.800 -0.083 0.000 2.364 68 G HA2 0.487 4.447 3.960 -0.000 0.000 0.267 68 G HA3 0.487 4.447 3.960 -0.000 0.000 0.267 68 G C 0.144 174.966 174.900 -0.129 0.000 1.233 68 G CA -0.541 44.501 45.100 -0.097 0.000 0.885 68 G HN 0.914 nan 8.290 nan 0.000 0.490 69 L N 2.742 123.834 121.223 -0.218 0.000 2.667 69 L HA 0.250 4.590 4.340 -0.000 0.000 0.232 69 L C 1.805 178.629 176.870 -0.076 0.000 1.138 69 L CA 0.329 55.024 54.840 -0.241 0.000 0.921 69 L CB -0.710 40.997 42.059 -0.588 0.000 1.180 69 L HN 0.924 nan 8.230 nan 0.000 0.487 70 G N 1.446 110.233 108.800 -0.022 0.000 2.566 70 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.280 70 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.280 70 G C -0.217 174.786 174.900 0.172 0.000 1.225 70 G CA -0.242 44.892 45.100 0.057 0.000 0.966 70 G HN 0.252 nan 8.290 nan 0.000 0.560 71 K N 1.062 121.547 120.400 0.143 0.000 2.322 71 K HA 0.488 4.807 4.320 -0.000 0.000 0.283 71 K C 1.345 178.055 176.600 0.183 0.000 1.042 71 K CA 0.165 56.535 56.287 0.140 0.000 0.958 71 K CB 1.202 33.739 32.500 0.061 0.000 0.984 71 K HN 0.545 nan 8.250 nan 0.000 0.473 72 K N 0.381 120.811 120.400 0.049 0.000 2.034 72 K HA -0.179 4.140 4.320 -0.000 0.000 0.214 72 K C 1.334 177.881 176.600 -0.088 0.000 1.051 72 K CA 2.208 58.328 56.287 -0.279 0.000 0.931 72 K CB -0.179 31.990 32.500 -0.552 0.000 0.715 72 K HN 0.811 nan 8.250 nan 0.000 0.446 73 T N -1.489 113.031 114.554 -0.056 0.000 3.188 73 T HA 0.384 4.734 4.350 -0.000 0.000 0.250 73 T C 0.438 175.140 174.700 0.003 0.000 1.077 73 T CA -0.266 61.821 62.100 -0.022 0.000 0.967 73 T CB 0.041 68.890 68.868 -0.032 0.000 1.006 73 T HN 0.166 nan 8.240 nan 0.000 0.552 74 A N 0.724 123.558 122.820 0.023 0.000 2.561 74 A HA 0.564 4.884 4.320 -0.000 0.000 0.251 74 A C 0.947 178.497 177.584 -0.057 0.000 1.062 74 A CA 0.276 52.318 52.037 0.008 0.000 0.761 74 A CB -0.536 18.486 19.000 0.037 0.000 0.986 74 A HN 0.753 nan 8.150 nan 0.000 0.510 75 G N 1.055 109.768 108.800 -0.146 0.000 3.058 75 G HA2 0.508 4.468 3.960 -0.000 0.000 0.282 75 G HA3 0.508 4.468 3.960 -0.000 0.000 0.282 75 G C -0.593 174.071 174.900 -0.393 0.000 1.248 75 G CA -0.968 43.908 45.100 -0.374 0.000 0.822 75 G HN 0.604 nan 8.290 nan 0.000 0.579 76 I N 1.803 122.175 120.570 -0.329 0.000 2.828 76 I HA 0.033 4.203 4.170 -0.000 0.000 0.292 76 I C -0.059 176.055 176.117 -0.005 0.000 1.206 76 I CA 0.433 61.667 61.300 -0.110 0.000 1.420 76 I CB 0.434 38.426 38.000 -0.014 0.000 1.368 76 I HN 0.209 nan 8.210 nan 0.000 0.556 77 D N 5.898 126.357 120.400 0.099 0.000 2.280 77 D HA 0.152 4.792 4.640 -0.000 0.000 0.236 77 D C 0.770 177.123 176.300 0.088 0.000 1.082 77 D CA -0.367 53.702 54.000 0.115 0.000 0.834 77 D CB 1.224 42.160 40.800 0.225 0.000 1.100 77 D HN 0.453 nan 8.370 nan 0.000 0.486 78 E N 1.589 121.827 120.200 0.064 0.000 2.268 78 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 78 E C 1.320 177.959 176.600 0.065 0.000 0.995 78 E CA 1.107 57.549 56.400 0.069 0.000 0.836 78 E CB 0.311 30.044 29.700 0.055 0.000 0.763 78 E HN 0.426 nan 8.360 nan 0.000 0.491 79 Q N -0.107 119.713 119.800 0.033 0.000 2.226 79 Q HA 0.044 4.384 4.340 -0.000 0.000 0.199 79 Q C 1.636 177.603 176.000 -0.054 0.000 0.945 79 Q CA 0.746 56.555 55.803 0.010 0.000 0.861 79 Q CB 0.114 28.848 28.738 -0.007 0.000 0.953 79 Q HN 0.181 nan 8.270 nan 0.000 0.490 80 E N 1.113 121.215 120.200 -0.164 0.000 2.427 80 E HA 0.008 4.358 4.350 -0.000 0.000 0.196 80 E C -0.356 175.886 176.600 -0.597 0.000 1.028 80 E CA -0.047 56.042 56.400 -0.519 0.000 0.864 80 E CB -0.260 28.939 29.700 -0.836 0.000 0.813 80 E HN 0.428 nan 8.360 nan 0.000 0.514 81 N N 0.605 119.207 118.700 -0.162 0.000 2.708 81 N HA -0.184 4.556 4.740 -0.000 0.000 0.255 81 N C -1.186 174.393 175.510 0.115 0.000 1.046 81 N CA 0.534 53.617 53.050 0.055 0.000 0.715 81 N CB -0.841 37.804 38.487 0.264 0.000 0.895 81 N HN 0.195 nan 8.380 nan 0.000 0.545 82 W N -1.366 119.939 121.300 0.009 0.000 2.926 82 W HA 0.444 5.104 4.660 -0.000 0.000 0.361 82 W C -0.614 175.893 176.519 -0.019 0.000 1.195 82 W CA -1.199 56.138 57.345 -0.014 0.000 1.177 82 W CB -0.001 29.474 29.460 0.025 0.000 1.453 82 W HN 0.052 nan 8.180 nan 0.000 0.571 83 H N 0.703 119.836 119.070 0.104 0.000 2.629 83 H HA 0.289 4.845 4.556 -0.000 0.000 0.357 83 H C 0.862 176.040 175.328 -0.249 0.000 1.121 83 H CA 1.085 57.114 56.048 -0.033 0.000 1.406 83 H CB 1.762 31.467 29.762 -0.096 0.000 1.456 83 H HN 0.622 nan 8.280 nan 0.000 0.579 84 E N 2.080 122.027 120.200 -0.422 0.000 2.364 84 E HA 0.030 4.380 4.350 -0.000 0.000 0.203 84 E C 1.995 178.530 176.600 -0.110 0.000 0.888 84 E CA 0.532 56.745 56.400 -0.312 0.000 0.989 84 E CB 0.130 29.772 29.700 -0.096 0.000 0.985 84 E HN 0.964 nan 8.360 nan 0.000 0.499 85 G N 2.070 110.925 108.800 0.092 0.000 2.446 85 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 85 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 85 G C 1.579 176.494 174.900 0.025 0.000 1.168 85 G CA 0.983 46.160 45.100 0.128 0.000 0.771 85 G HN 0.152 nan 8.290 nan 0.000 0.551 86 K N -0.001 120.424 120.400 0.042 0.000 2.020 86 K HA -0.111 4.209 4.320 -0.000 0.000 0.212 86 K C 2.425 178.875 176.600 -0.249 0.000 1.050 86 K CA 1.323 57.505 56.287 -0.175 0.000 0.929 86 K CB -0.138 32.209 32.500 -0.256 0.000 0.714 86 K HN 0.112 nan 8.250 nan 0.000 0.443 87 E N 0.706 120.717 120.200 -0.315 0.000 2.204 87 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 87 E C 1.591 178.044 176.600 -0.246 0.000 0.990 87 E CA 0.860 57.008 56.400 -0.419 0.000 0.821 87 E CB -0.115 29.095 29.700 -0.816 0.000 0.750 87 E HN 0.298 nan 8.360 nan 0.000 0.477 88 N N 0.239 118.836 118.700 -0.172 0.000 2.173 88 N HA -0.027 4.713 4.740 -0.000 0.000 0.184 88 N C 2.109 177.553 175.510 -0.109 0.000 1.025 88 N CA 0.572 53.563 53.050 -0.099 0.000 0.852 88 N CB -0.151 38.304 38.487 -0.053 0.000 0.998 88 N HN 0.205 nan 8.380 nan 0.000 0.427 89 I N 1.320 121.810 120.570 -0.133 0.000 2.315 89 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 89 I C 2.368 178.379 176.117 -0.176 0.000 1.117 89 I CA 0.832 62.050 61.300 -0.137 0.000 1.404 89 I CB -0.076 37.849 38.000 -0.125 0.000 1.071 89 I HN 0.046 nan 8.210 nan 0.000 0.419 90 R N 0.761 121.092 120.500 -0.282 0.000 2.073 90 R HA -0.120 4.219 4.340 -0.000 0.000 0.234 90 R C 2.398 178.556 176.300 -0.237 0.000 1.134 90 R CA 1.645 57.468 56.100 -0.462 0.000 0.952 90 R CB -0.475 29.202 30.300 -1.038 0.000 0.850 90 R HN 0.355 nan 8.270 nan 0.000 0.433 91 A N 0.750 123.537 122.820 -0.056 0.000 2.016 91 A HA 0.075 4.395 4.320 -0.000 0.000 0.217 91 A C 2.216 179.808 177.584 0.014 0.000 1.162 91 A CA 1.230 53.322 52.037 0.091 0.000 0.662 91 A CB -0.231 18.840 19.000 0.118 0.000 0.812 91 A HN 0.377 nan 8.150 nan 0.000 0.450 92 A N -0.085 122.712 122.820 -0.039 0.000 1.898 92 A HA 0.100 4.420 4.320 -0.000 0.000 0.214 92 A C 2.191 179.746 177.584 -0.048 0.000 1.183 92 A CA 1.680 53.687 52.037 -0.050 0.000 0.622 92 A CB -0.894 18.058 19.000 -0.080 0.000 0.824 92 A HN 1.078 nan 8.150 nan 0.000 0.444 93 V N -3.073 116.809 119.914 -0.053 0.000 2.951 93 V HA 0.235 4.355 4.120 -0.000 0.000 0.255 93 V C 2.307 178.395 176.094 -0.010 0.000 1.088 93 V CA 1.278 63.559 62.300 -0.031 0.000 1.109 93 V CB -0.880 30.938 31.823 -0.008 0.000 0.724 93 V HN 0.434 nan 8.190 nan 0.000 0.471 94 A N 1.095 123.915 122.820 -0.002 0.000 1.902 94 A HA 0.081 4.400 4.320 -0.000 0.000 0.217 94 A C 2.508 180.111 177.584 0.032 0.000 1.181 94 A CA 2.234 54.294 52.037 0.039 0.000 0.623 94 A CB -1.041 18.023 19.000 0.107 0.000 0.818 94 A HN 0.948 nan 8.150 nan 0.000 0.443 95 A N -0.466 122.364 122.820 0.017 0.000 1.902 95 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 95 A C 2.407 179.982 177.584 -0.015 0.000 1.181 95 A CA 2.015 54.053 52.037 0.001 0.000 0.623 95 A CB -1.367 17.627 19.000 -0.011 0.000 0.818 95 A HN 0.712 nan 8.150 nan 0.000 0.443 96 G N -1.193 107.592 108.800 -0.025 0.000 2.402 96 G HA2 -0.209 3.750 3.960 -0.000 0.000 0.216 96 G HA3 -0.209 3.750 3.960 -0.000 0.000 0.216 96 G C 1.552 176.441 174.900 -0.018 0.000 1.162 96 G CA 1.276 46.352 45.100 -0.039 0.000 0.777 96 G HN 0.523 nan 8.290 nan 0.000 0.539 97 C N 0.095 119.397 119.300 0.004 0.000 2.446 97 C HA 0.141 4.601 4.460 -0.000 0.000 0.279 97 C C 2.783 177.784 174.990 0.020 0.000 1.366 97 C CA 0.205 59.236 59.018 0.021 0.000 1.763 97 C CB -0.707 27.058 27.740 0.041 0.000 1.929 97 C HN 0.409 nan 8.230 nan 0.000 0.509 98 R N 0.485 120.995 120.500 0.016 0.000 2.316 98 R HA -0.090 4.250 4.340 -0.000 0.000 0.202 98 R C 2.093 178.397 176.300 0.007 0.000 1.029 98 R CA 0.671 56.780 56.100 0.014 0.000 1.018 98 R CB -0.127 30.183 30.300 0.016 0.000 0.888 98 R HN 0.494 nan 8.270 nan 0.000 0.471 99 Q N 0.654 120.454 119.800 -0.001 0.000 2.226 99 Q HA 0.021 4.361 4.340 -0.000 0.000 0.199 99 Q C 1.808 177.814 176.000 0.011 0.000 0.945 99 Q CA 1.074 56.874 55.803 -0.006 0.000 0.861 99 Q CB 0.214 28.931 28.738 -0.036 0.000 0.953 99 Q HN 0.104 nan 8.270 nan 0.000 0.490 100 I N 0.888 121.465 120.570 0.011 0.000 2.179 100 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 100 I C 2.349 178.484 176.117 0.030 0.000 1.088 100 I CA 1.620 62.937 61.300 0.029 0.000 1.357 100 I CB -1.252 36.766 38.000 0.029 0.000 1.051 100 I HN 0.474 nan 8.210 nan 0.000 0.409 101 Q N 0.421 120.235 119.800 0.023 0.000 2.234 101 Q HA -0.277 4.062 4.340 -0.000 0.000 0.206 101 Q C 1.563 177.571 176.000 0.013 0.000 0.980 101 Q CA 2.005 57.819 55.803 0.017 0.000 0.869 101 Q CB -0.012 28.733 28.738 0.012 0.000 0.912 101 Q HN 0.448 nan 8.270 nan 0.000 0.436 102 D N -0.562 119.848 120.400 0.016 0.000 2.333 102 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 102 D C 1.288 177.602 176.300 0.024 0.000 0.984 102 D CA 0.257 54.267 54.000 0.015 0.000 0.873 102 D CB 0.136 40.944 40.800 0.014 0.000 0.935 102 D HN 0.237 nan 8.370 nan 0.000 0.521 103 L N 0.458 121.703 121.223 0.038 0.000 2.627 103 L HA 0.146 4.486 4.340 -0.000 0.000 0.233 103 L C -0.098 176.791 176.870 0.032 0.000 1.144 103 L CA 0.252 55.121 54.840 0.049 0.000 0.892 103 L CB -0.364 41.750 42.059 0.092 0.000 1.039 103 L HN 0.039 nan 8.230 nan 0.000 0.442 104 E N 0.504 120.716 120.200 0.021 0.000 2.297 104 E HA -0.225 4.125 4.350 -0.000 0.000 0.228 104 E C -0.356 176.254 176.600 0.017 0.000 1.213 104 E CA 0.281 56.688 56.400 0.012 0.000 0.712 104 E CB -1.272 28.430 29.700 0.004 0.000 1.202 104 E HN 0.431 nan 8.360 nan 0.000 0.376 105 I N 1.089 121.675 120.570 0.026 0.000 2.359 105 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 105 I C -1.112 175.023 176.117 0.029 0.000 1.018 105 I CA -2.158 59.161 61.300 0.032 0.000 1.173 105 I CB 1.089 39.120 38.000 0.051 0.000 1.326 105 I HN -0.061 nan 8.210 nan 0.000 0.462 106 P HA -0.039 nan 4.420 nan 0.000 0.237 106 P C 0.366 177.682 177.300 0.026 0.000 1.178 106 P CA 0.633 63.744 63.100 0.018 0.000 0.766 106 P CB 0.666 32.372 31.700 0.010 0.000 0.876 107 S N -1.156 114.564 115.700 0.033 0.000 2.541 107 S HA 0.596 5.065 4.470 -0.000 0.000 0.271 107 S C -1.637 172.998 174.600 0.059 0.000 1.133 107 S CA -0.645 57.581 58.200 0.042 0.000 0.876 107 S CB 1.948 65.165 63.200 0.029 0.000 1.105 107 S HN -0.124 nan 8.310 nan 0.000 0.470 108 V N 3.106 123.064 119.914 0.072 0.000 3.048 108 V HA 0.604 4.723 4.120 -0.000 0.000 0.303 108 V C -1.425 174.718 176.094 0.083 0.000 1.214 108 V CA -0.463 61.889 62.300 0.087 0.000 0.984 108 V CB 2.146 34.012 31.823 0.072 0.000 1.054 108 V HN 0.990 nan 8.190 nan 0.000 0.430 109 E N 2.861 123.119 120.200 0.097 0.000 2.183 109 E HA 0.730 5.080 4.350 -0.000 0.000 0.271 109 E C -1.657 174.945 176.600 0.003 0.000 0.919 109 E CA -0.556 55.884 56.400 0.067 0.000 0.781 109 E CB 2.268 32.084 29.700 0.193 0.000 1.140 109 E HN 0.522 nan 8.360 nan 0.000 0.402 110 V N 3.266 123.149 119.914 -0.052 0.000 2.638 110 V HA 0.085 4.205 4.120 -0.000 0.000 0.306 110 V C -0.361 175.680 176.094 -0.090 0.000 1.052 110 V CA -0.972 61.299 62.300 -0.049 0.000 0.885 110 V CB 1.997 33.905 31.823 0.141 0.000 0.999 110 V HN 0.694 nan 8.190 nan 0.000 0.424 111 D N 7.014 127.334 120.400 -0.133 0.000 2.487 111 D HA 0.078 4.718 4.640 -0.000 0.000 0.243 111 D C -1.130 175.160 176.300 -0.016 0.000 1.154 111 D CA -1.267 52.649 54.000 -0.140 0.000 0.876 111 D CB 1.935 42.635 40.800 -0.167 0.000 1.161 111 D HN 0.266 nan 8.370 nan 0.000 0.478 112 P HA -0.173 nan 4.420 nan 0.000 0.217 112 P C 0.733 178.068 177.300 0.059 0.000 1.148 112 P CA 0.643 63.779 63.100 0.059 0.000 0.834 112 P CB -0.088 31.632 31.700 0.033 0.000 0.783 113 C N -2.190 117.127 119.300 0.027 0.000 4.331 113 C HA -0.068 4.391 4.460 -0.000 0.000 0.293 113 C C 1.756 176.787 174.990 0.068 0.000 1.436 113 C CA 0.751 59.786 59.018 0.028 0.000 1.993 113 C CB -2.789 24.940 27.740 -0.018 0.000 1.266 113 C HN 0.671 nan 8.230 nan 0.000 0.795 114 G N -0.186 108.653 108.800 0.065 0.000 2.245 114 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 114 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 114 G C -0.300 174.606 174.900 0.010 0.000 0.985 114 G CA 0.976 46.108 45.100 0.053 0.000 0.625 114 G HN 0.877 nan 8.290 nan 0.000 0.536 115 D N -0.658 119.739 120.400 -0.006 0.000 2.364 115 D HA 0.708 5.348 4.640 -0.000 0.000 0.251 115 D C 1.259 177.542 176.300 -0.029 0.000 1.282 115 D CA 0.705 54.672 54.000 -0.055 0.000 0.927 115 D CB 0.328 41.055 40.800 -0.121 0.000 1.267 115 D HN 0.461 nan 8.370 nan 0.000 0.531 116 A N 2.718 125.551 122.820 0.021 0.000 1.940 116 A HA -0.303 4.016 4.320 -0.000 0.000 0.221 116 A C 1.947 179.582 177.584 0.085 0.000 1.190 116 A CA 1.674 53.790 52.037 0.132 0.000 0.647 116 A CB -0.416 18.653 19.000 0.116 0.000 0.821 116 A HN 0.657 nan 8.150 nan 0.000 0.457 117 Q N -1.106 118.638 119.800 -0.094 0.000 2.050 117 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 117 Q C 2.383 178.197 176.000 -0.310 0.000 0.980 117 Q CA 1.544 57.196 55.803 -0.253 0.000 0.840 117 Q CB -0.300 28.231 28.738 -0.344 0.000 0.898 117 Q HN 0.661 nan 8.270 nan 0.000 0.424 118 A N 0.598 123.262 122.820 -0.261 0.000 1.898 118 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 118 A C 2.234 179.660 177.584 -0.263 0.000 1.181 118 A CA 1.606 53.471 52.037 -0.286 0.000 0.620 118 A CB -0.814 18.032 19.000 -0.256 0.000 0.819 118 A HN 0.503 nan 8.150 nan 0.000 0.442 119 A N -0.163 122.568 122.820 -0.149 0.000 1.933 119 A HA 0.164 4.483 4.320 -0.000 0.000 0.218 119 A C 2.462 179.891 177.584 -0.259 0.000 1.175 119 A CA 2.046 54.038 52.037 -0.075 0.000 0.628 119 A CB -0.896 18.193 19.000 0.147 0.000 0.814 119 A HN 0.985 nan 8.150 nan 0.000 0.444 120 A N 0.106 122.554 122.820 -0.620 0.000 1.855 120 A HA -0.151 4.168 4.320 -0.000 0.000 0.215 120 A C 1.842 179.060 177.584 -0.610 0.000 1.191 120 A CA 1.562 52.882 52.037 -1.194 0.000 0.613 120 A CB -0.596 17.482 19.000 -1.537 0.000 0.829 120 A HN 0.603 nan 8.150 nan 0.000 0.442 121 E N -0.414 119.520 120.200 -0.443 0.000 2.265 121 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 121 E C 1.917 178.353 176.600 -0.274 0.000 0.996 121 E CA 0.646 56.864 56.400 -0.302 0.000 0.832 121 E CB -0.273 29.251 29.700 -0.293 0.000 0.756 121 E HN 0.628 nan 8.360 nan 0.000 0.491 122 G N 1.185 109.800 108.800 -0.308 0.000 2.404 122 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.213 122 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.213 122 G C 1.701 176.547 174.900 -0.089 0.000 1.189 122 G CA 0.558 45.522 45.100 -0.227 0.000 0.796 122 G HN 0.336 nan 8.290 nan 0.000 0.532 123 A N 0.069 122.828 122.820 -0.103 0.000 1.940 123 A HA 0.082 4.402 4.320 -0.000 0.000 0.219 123 A C 2.547 180.134 177.584 0.005 0.000 1.176 123 A CA 2.123 54.153 52.037 -0.013 0.000 0.631 123 A CB -0.490 18.537 19.000 0.044 0.000 0.814 123 A HN 0.284 nan 8.150 nan 0.000 0.446 124 V N -0.779 119.105 119.914 -0.050 0.000 2.283 124 V HA -0.090 4.030 4.120 -0.000 0.000 0.239 124 V C 2.328 178.462 176.094 0.067 0.000 1.035 124 V CA 1.178 63.481 62.300 0.004 0.000 1.018 124 V CB -0.977 30.818 31.823 -0.046 0.000 0.658 124 V HN 0.389 nan 8.190 nan 0.000 0.459 125 L N 1.681 122.941 121.223 0.062 0.000 2.081 125 L HA -0.135 4.204 4.340 -0.000 0.000 0.212 125 L C 2.539 179.516 176.870 0.179 0.000 1.080 125 L CA 2.349 57.274 54.840 0.140 0.000 0.754 125 L CB -1.824 40.362 42.059 0.211 0.000 0.893 125 L HN 0.414 nan 8.230 nan 0.000 0.433 126 G N -1.272 107.618 108.800 0.150 0.000 2.446 126 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.217 126 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.217 126 G C 1.701 176.663 174.900 0.103 0.000 1.168 126 G CA 0.766 45.944 45.100 0.130 0.000 0.771 126 G HN 0.386 nan 8.290 nan 0.000 0.551 127 L N -0.985 120.295 121.223 0.096 0.000 2.375 127 L HA 0.259 4.599 4.340 -0.000 0.000 0.215 127 L C 1.164 178.074 176.870 0.067 0.000 1.108 127 L CA -0.607 54.276 54.840 0.071 0.000 0.830 127 L CB -0.107 41.988 42.059 0.060 0.000 0.959 127 L HN 0.249 nan 8.230 nan 0.000 0.457 128 Y N 1.323 121.645 120.300 0.038 0.000 2.811 128 Y HA -0.190 4.360 4.550 -0.000 0.000 0.334 128 Y C 1.205 177.135 175.900 0.050 0.000 1.247 128 Y CA 0.907 59.033 58.100 0.044 0.000 1.526 128 Y CB 0.483 38.972 38.460 0.047 0.000 1.284 128 Y HN 0.114 nan 8.280 nan 0.000 0.586 129 E N 3.633 123.321 120.200 -0.855 0.000 2.713 129 E HA -0.017 4.332 4.350 -0.000 0.000 0.201 129 E C -1.154 175.235 176.600 -0.353 0.000 0.935 129 E CA 0.109 56.236 56.400 -0.456 0.000 1.273 129 E CB 0.584 30.142 29.700 -0.235 0.000 1.221 129 E HN 0.603 nan 8.360 nan 0.000 0.547 130 Y N 1.855 121.788 120.300 -0.611 0.000 3.001 130 Y HA -0.197 4.353 4.550 -0.000 0.000 0.110 130 Y C -0.171 175.661 175.900 -0.114 0.000 2.167 130 Y CA -0.046 57.930 58.100 -0.207 0.000 1.071 130 Y CB -1.630 36.857 38.460 0.046 0.000 1.687 130 Y HN 0.120 nan 8.280 nan 0.000 0.331 131 D N 1.478 121.611 120.400 -0.445 0.000 2.194 131 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 131 D C 1.370 177.442 176.300 -0.379 0.000 0.964 131 D CA 1.404 55.204 54.000 -0.334 0.000 0.846 131 D CB 0.077 40.741 40.800 -0.226 0.000 0.962 131 D HN 0.703 nan 8.370 nan 0.000 0.490 132 D N 0.412 120.503 120.400 -0.514 0.000 2.286 132 D HA -0.189 4.451 4.640 -0.000 0.000 0.195 132 D C 1.627 177.767 176.300 -0.266 0.000 1.012 132 D CA 0.846 54.618 54.000 -0.380 0.000 0.901 132 D CB -0.177 40.383 40.800 -0.401 0.000 0.903 132 D HN 0.330 nan 8.370 nan 0.000 0.451 133 L N -1.101 119.951 121.223 -0.286 0.000 2.693 133 L HA 0.202 4.542 4.340 -0.000 0.000 0.235 133 L C 0.357 177.175 176.870 -0.087 0.000 1.127 133 L CA -0.134 54.632 54.840 -0.123 0.000 0.914 133 L CB 0.266 42.298 42.059 -0.044 0.000 1.193 133 L HN -0.192 nan 8.230 nan 0.000 0.502 134 K N 1.085 121.418 120.400 -0.111 0.000 2.156 134 K HA 0.136 4.456 4.320 -0.000 0.000 0.271 134 K C 0.850 177.409 176.600 -0.067 0.000 0.995 134 K CA -0.299 55.944 56.287 -0.072 0.000 0.890 134 K CB 1.461 33.918 32.500 -0.072 0.000 1.073 134 K HN 0.056 nan 8.250 nan 0.000 0.454 135 Q N 2.464 122.236 119.800 -0.047 0.000 2.311 135 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 135 Q C -0.220 175.755 176.000 -0.042 0.000 0.954 135 Q CA 0.982 56.759 55.803 -0.042 0.000 0.885 135 Q CB -0.188 28.532 28.738 -0.030 0.000 0.963 135 Q HN 0.411 nan 8.270 nan 0.000 0.471 136 K N 1.423 121.799 120.400 -0.040 0.000 2.150 136 K HA 0.339 4.659 4.320 -0.000 0.000 0.261 136 K C -0.830 175.743 176.600 -0.047 0.000 1.127 136 K CA -0.303 55.962 56.287 -0.036 0.000 0.989 136 K CB 0.586 33.069 32.500 -0.028 0.000 1.475 136 K HN 0.032 nan 8.250 nan 0.000 0.391 137 R N 1.898 122.368 120.500 -0.050 0.000 2.778 137 R HA 0.315 4.654 4.340 -0.000 0.000 0.277 137 R C -0.548 175.723 176.300 -0.049 0.000 0.977 137 R CA -1.065 54.998 56.100 -0.062 0.000 0.950 137 R CB 1.728 31.982 30.300 -0.078 0.000 1.165 137 R HN 0.360 nan 8.270 nan 0.000 0.474 138 K N 0.412 120.782 120.400 -0.051 0.000 2.138 138 K HA 0.190 4.510 4.320 -0.000 0.000 0.251 138 K C -0.227 176.353 176.600 -0.034 0.000 1.015 138 K CA -0.365 55.900 56.287 -0.037 0.000 0.917 138 K CB 0.857 33.336 32.500 -0.035 0.000 1.021 138 K HN 0.192 nan 8.250 nan 0.000 0.485 139 V N 1.935 121.837 119.914 -0.021 0.000 2.763 139 V HA -0.057 4.063 4.120 -0.000 0.000 0.306 139 V C -0.092 175.993 176.094 -0.016 0.000 1.059 139 V CA -0.035 62.256 62.300 -0.015 0.000 1.138 139 V CB 1.315 33.136 31.823 -0.005 0.000 0.940 139 V HN 0.448 nan 8.190 nan 0.000 0.489 140 V N 7.533 127.439 119.914 -0.014 0.000 2.322 140 V HA 0.379 4.499 4.120 -0.000 0.000 0.258 140 V C -0.010 176.088 176.094 0.006 0.000 1.074 140 V CA -0.065 62.229 62.300 -0.010 0.000 0.909 140 V CB 1.374 33.188 31.823 -0.015 0.000 1.090 140 V HN 0.699 nan 8.190 nan 0.000 0.486 141 V N 6.342 126.264 119.914 0.014 0.000 2.567 141 V HA 0.659 4.779 4.120 -0.000 0.000 0.289 141 V C 0.197 176.317 176.094 0.044 0.000 1.049 141 V CA 0.281 62.598 62.300 0.029 0.000 0.969 141 V CB 2.037 33.880 31.823 0.032 0.000 0.995 141 V HN 0.924 nan 8.190 nan 0.000 0.471 142 S N 5.172 120.902 115.700 0.050 0.000 2.437 142 S HA 0.795 5.264 4.470 -0.000 0.000 0.305 142 S C -0.229 174.424 174.600 0.089 0.000 1.109 142 S CA -0.028 58.211 58.200 0.065 0.000 1.099 142 S CB 0.907 64.136 63.200 0.049 0.000 1.004 142 S HN 1.619 nan 8.310 nan 0.000 0.475 143 A N 5.764 128.663 122.820 0.132 0.000 2.360 143 A HA 0.570 4.890 4.320 -0.000 0.000 0.309 143 A C -0.241 177.503 177.584 0.267 0.000 1.311 143 A CA -0.738 51.415 52.037 0.192 0.000 0.805 143 A CB 0.445 19.588 19.000 0.238 0.000 1.144 143 A HN 0.782 nan 8.150 nan 0.000 0.486 144 K N 1.166 121.627 120.400 0.101 0.000 2.095 144 K HA 0.503 4.823 4.320 -0.000 0.000 0.252 144 K C -0.187 176.159 176.600 -0.423 0.000 0.977 144 K CA -0.861 55.390 56.287 -0.060 0.000 0.900 144 K CB 1.617 34.069 32.500 -0.082 0.000 1.060 144 K HN 0.588 nan 8.250 nan 0.000 0.449 145 L N 1.227 121.850 121.223 -0.999 0.000 2.479 145 L HA 0.008 4.347 4.340 -0.000 0.000 0.270 145 L C -0.244 176.321 176.870 -0.509 0.000 1.236 145 L CA 0.594 54.674 54.840 -1.266 0.000 0.823 145 L CB 0.180 41.452 42.059 -1.312 0.000 1.098 145 L HN 0.547 nan 8.230 nan 0.000 0.500 146 H N 2.714 121.510 119.070 -0.457 0.000 2.476 146 H HA 0.628 5.184 4.556 -0.000 0.000 0.328 146 H C 0.149 175.341 175.328 -0.226 0.000 1.073 146 H CA 0.373 56.264 56.048 -0.262 0.000 1.229 146 H CB 0.672 30.297 29.762 -0.229 0.000 1.432 146 H HN 0.969 nan 8.280 nan 0.000 0.477 147 G N 2.326 110.898 108.800 -0.380 0.000 2.500 147 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.209 147 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.209 147 G C 0.186 174.979 174.900 -0.179 0.000 1.283 147 G CA 0.177 45.145 45.100 -0.219 0.000 0.960 147 G HN 1.421 nan 8.290 nan 0.000 0.528 148 S N -2.271 113.360 115.700 -0.115 0.000 2.423 148 S HA 0.181 4.651 4.470 -0.000 0.000 0.243 148 S C 1.035 175.604 174.600 -0.052 0.000 0.939 148 S CA 0.994 59.141 58.200 -0.088 0.000 1.552 148 S CB 0.127 63.279 63.200 -0.078 0.000 1.245 148 S HN 0.735 nan 8.310 nan 0.000 0.635 149 E N 1.668 121.843 120.200 -0.041 0.000 2.047 149 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 149 E C -0.069 176.525 176.600 -0.010 0.000 0.987 149 E CA 1.172 57.559 56.400 -0.021 0.000 0.799 149 E CB -0.001 29.691 29.700 -0.014 0.000 0.752 149 E HN 0.400 nan 8.360 nan 0.000 0.449 150 D N -0.212 120.183 120.400 -0.009 0.000 2.458 150 D HA 0.092 4.731 4.640 -0.000 0.000 0.258 150 D C 0.132 176.451 176.300 0.032 0.000 1.134 150 D CA -0.024 53.984 54.000 0.013 0.000 0.915 150 D CB 0.615 41.427 40.800 0.019 0.000 1.028 150 D HN 0.003 nan 8.370 nan 0.000 0.508 151 Q N 1.277 121.096 119.800 0.033 0.000 2.349 151 Q HA 0.016 4.356 4.340 -0.000 0.000 0.209 151 Q C 1.379 177.441 176.000 0.104 0.000 0.920 151 Q CA 0.196 56.037 55.803 0.063 0.000 0.901 151 Q CB 0.648 29.402 28.738 0.026 0.000 1.021 151 Q HN 0.453 nan 8.270 nan 0.000 0.519 152 E N 1.283 121.523 120.200 0.068 0.000 2.077 152 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 152 E C 1.809 178.439 176.600 0.050 0.000 0.989 152 E CA 1.289 57.725 56.400 0.061 0.000 0.800 152 E CB 0.015 29.742 29.700 0.045 0.000 0.746 152 E HN 0.336 nan 8.360 nan 0.000 0.452 153 A N 1.173 124.013 122.820 0.033 0.000 1.930 153 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 153 A C 2.020 179.610 177.584 0.010 0.000 1.176 153 A CA 0.940 52.964 52.037 -0.022 0.000 0.632 153 A CB -1.103 17.867 19.000 -0.050 0.000 0.819 153 A HN 0.719 nan 8.150 nan 0.000 0.445 154 W N 0.798 122.054 121.300 -0.075 0.000 2.342 154 W HA -0.225 4.435 4.660 -0.001 0.000 0.297 154 W C 1.702 178.195 176.519 -0.044 0.000 1.213 154 W CA 2.252 59.558 57.345 -0.065 0.000 1.251 154 W CB -0.252 29.183 29.460 -0.042 0.000 1.136 154 W HN 0.427 nan 8.180 nan 0.000 0.526 155 Q N 0.567 120.463 119.800 0.159 0.000 2.172 155 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 155 Q C 2.386 178.374 176.000 -0.020 0.000 0.964 155 Q CA 1.474 57.321 55.803 0.073 0.000 0.855 155 Q CB -0.551 28.265 28.738 0.129 0.000 0.918 155 Q HN 0.186 nan 8.270 nan 0.000 0.444 156 R N -0.974 119.507 120.500 -0.032 0.000 2.152 156 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 156 R C 1.843 178.066 176.300 -0.129 0.000 1.117 156 R CA 1.114 57.194 56.100 -0.033 0.000 0.981 156 R CB -0.385 29.810 30.300 -0.176 0.000 0.870 156 R HN 0.410 nan 8.270 nan 0.000 0.451 157 G N -0.035 108.596 108.800 -0.282 0.000 2.556 157 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 157 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 157 G C 1.313 176.042 174.900 -0.286 0.000 1.258 157 G CA 0.823 45.693 45.100 -0.385 0.000 0.811 157 G HN 0.167 nan 8.290 nan 0.000 0.557 158 V N 1.138 120.809 119.914 -0.404 0.000 2.428 158 V HA -0.193 3.927 4.120 -0.000 0.000 0.255 158 V C 2.673 178.721 176.094 -0.077 0.000 1.080 158 V CA 1.443 63.600 62.300 -0.239 0.000 1.083 158 V CB -0.566 31.133 31.823 -0.208 0.000 0.665 158 V HN 0.289 nan 8.190 nan 0.000 0.461 159 L N -1.045 120.170 121.223 -0.012 0.000 1.982 159 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 159 L C 2.444 179.342 176.870 0.046 0.000 1.078 159 L CA 2.262 57.123 54.840 0.035 0.000 0.749 159 L CB -0.795 41.322 42.059 0.096 0.000 0.894 159 L HN 0.271 nan 8.230 nan 0.000 0.436 160 F N 0.650 120.522 119.950 -0.130 0.000 2.065 160 F HA -0.261 4.266 4.527 -0.000 0.000 0.298 160 F C 2.715 178.449 175.800 -0.110 0.000 1.112 160 F CA 1.811 59.740 58.000 -0.120 0.000 1.212 160 F CB -1.059 37.855 39.000 -0.143 0.000 0.975 160 F HN 0.216 nan 8.300 nan 0.000 0.476 161 A N -0.983 121.880 122.820 0.072 0.000 1.940 161 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 161 A C 2.390 179.960 177.584 -0.024 0.000 1.176 161 A CA 2.139 54.174 52.037 -0.002 0.000 0.631 161 A CB -1.119 17.842 19.000 -0.065 0.000 0.814 161 A HN 0.347 nan 8.150 nan 0.000 0.446 162 S N -0.626 115.056 115.700 -0.029 0.000 2.383 162 S HA -0.034 4.435 4.470 -0.000 0.000 0.227 162 S C 2.015 176.575 174.600 -0.068 0.000 1.026 162 S CA 1.006 59.184 58.200 -0.036 0.000 0.981 162 S CB -0.515 62.671 63.200 -0.024 0.000 0.818 162 S HN 0.776 nan 8.310 nan 0.000 0.472 163 G N 0.489 109.240 108.800 -0.082 0.000 2.471 163 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.219 163 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.219 163 G C 1.250 176.089 174.900 -0.102 0.000 1.125 163 G CA 0.482 45.517 45.100 -0.109 0.000 0.775 163 G HN 0.475 nan 8.290 nan 0.000 0.548 164 Q N 0.139 119.887 119.800 -0.088 0.000 2.061 164 Q HA -0.057 4.283 4.340 -0.000 0.000 0.195 164 Q C 2.313 178.209 176.000 -0.173 0.000 0.967 164 Q CA 0.731 56.479 55.803 -0.090 0.000 0.829 164 Q CB -0.104 28.607 28.738 -0.044 0.000 0.900 164 Q HN 0.295 nan 8.270 nan 0.000 0.450 165 N N 1.186 119.752 118.700 -0.224 0.000 2.192 165 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 165 N C 1.794 177.067 175.510 -0.394 0.000 1.013 165 N CA 0.738 53.506 53.050 -0.470 0.000 0.863 165 N CB -0.339 37.978 38.487 -0.283 0.000 0.990 165 N HN 0.301 nan 8.380 nan 0.000 0.430 166 L N 0.860 121.971 121.223 -0.188 0.000 1.955 166 L HA -0.226 4.113 4.340 -0.000 0.000 0.213 166 L C 2.174 178.966 176.870 -0.131 0.000 1.072 166 L CA 1.761 56.526 54.840 -0.125 0.000 0.755 166 L CB -0.626 41.368 42.059 -0.108 0.000 0.888 166 L HN 0.145 nan 8.230 nan 0.000 0.432 167 A N -0.360 122.389 122.820 -0.119 0.000 1.958 167 A HA -0.283 4.037 4.320 -0.000 0.000 0.221 167 A C 2.283 179.804 177.584 -0.104 0.000 1.178 167 A CA 1.963 53.954 52.037 -0.077 0.000 0.642 167 A CB -0.655 18.311 19.000 -0.058 0.000 0.816 167 A HN 0.480 nan 8.150 nan 0.000 0.453 168 R N -0.781 119.595 120.500 -0.206 0.000 2.092 168 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 168 R C 2.518 178.721 176.300 -0.161 0.000 1.119 168 R CA 1.624 57.582 56.100 -0.237 0.000 0.970 168 R CB -0.257 29.745 30.300 -0.496 0.000 0.864 168 R HN 0.803 nan 8.270 nan 0.000 0.440 169 R N -0.018 120.404 120.500 -0.129 0.000 2.119 169 R HA -0.033 4.307 4.340 -0.000 0.000 0.222 169 R C 1.791 178.040 176.300 -0.085 0.000 1.088 169 R CA 0.850 56.960 56.100 0.017 0.000 0.984 169 R CB -0.372 30.063 30.300 0.226 0.000 0.884 169 R HN 0.022 nan 8.270 nan 0.000 0.447 170 L N 0.760 121.952 121.223 -0.051 0.000 2.141 170 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 170 L C 2.313 179.205 176.870 0.037 0.000 1.094 170 L CA 1.656 56.500 54.840 0.007 0.000 0.763 170 L CB -0.253 41.821 42.059 0.025 0.000 0.908 170 L HN 0.288 nan 8.230 nan 0.000 0.437 171 M N -1.688 117.902 119.600 -0.018 0.000 2.171 171 M HA -0.135 4.345 4.480 -0.000 0.000 0.260 171 M C 2.187 178.445 176.300 -0.070 0.000 1.087 171 M CA 1.178 56.463 55.300 -0.025 0.000 1.154 171 M CB -0.150 32.430 32.600 -0.033 0.000 1.331 171 M HN 0.027 nan 8.290 nan 0.000 0.431 172 E N 0.090 120.205 120.200 -0.141 0.000 2.097 172 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 172 E C -0.084 176.298 176.600 -0.363 0.000 1.000 172 E CA 1.143 57.404 56.400 -0.233 0.000 0.804 172 E CB -0.188 29.323 29.700 -0.315 0.000 0.740 172 E HN 0.292 nan 8.360 nan 0.000 0.454 173 T N 4.005 118.254 114.554 -0.508 0.000 2.908 173 T HA 0.048 4.397 4.350 -0.000 0.000 0.301 173 T C -2.394 172.266 174.700 -0.066 0.000 1.019 173 T CA -0.851 61.044 62.100 -0.341 0.000 1.152 173 T CB 0.602 69.376 68.868 -0.157 0.000 0.966 173 T HN 0.166 nan 8.240 nan 0.000 0.540 174 P HA 0.022 nan 4.420 nan 0.000 0.264 174 P C 0.128 177.460 177.300 0.053 0.000 1.179 174 P CA -0.089 63.037 63.100 0.044 0.000 0.763 174 P CB 0.451 32.179 31.700 0.047 0.000 0.806 175 A N 3.017 125.880 122.820 0.072 0.000 2.252 175 A HA -0.101 4.219 4.320 -0.000 0.000 0.207 175 A C 1.579 179.194 177.584 0.051 0.000 1.194 175 A CA 0.536 52.634 52.037 0.103 0.000 0.809 175 A CB -1.087 18.054 19.000 0.236 0.000 0.814 175 A HN 0.665 nan 8.150 nan 0.000 0.482 176 N N -0.355 118.354 118.700 0.015 0.000 2.395 176 N HA -0.066 4.673 4.740 -0.000 0.000 0.175 176 N C 1.263 176.794 175.510 0.034 0.000 1.029 176 N CA 1.358 54.414 53.050 0.010 0.000 0.897 176 N CB -0.120 38.358 38.487 -0.015 0.000 0.991 176 N HN 0.376 nan 8.380 nan 0.000 0.441 177 E N 0.353 120.582 120.200 0.049 0.000 2.110 177 E HA 0.126 4.475 4.350 -0.000 0.000 0.193 177 E C 0.307 176.950 176.600 0.072 0.000 0.950 177 E CA 0.302 56.739 56.400 0.061 0.000 0.840 177 E CB -0.197 29.549 29.700 0.077 0.000 0.809 177 E HN 0.245 nan 8.360 nan 0.000 0.465 178 M N 2.554 122.202 119.600 0.080 0.000 3.011 178 M HA 0.198 4.678 4.480 -0.000 0.000 0.292 178 M C -0.562 175.808 176.300 0.116 0.000 1.440 178 M CA -0.134 55.227 55.300 0.101 0.000 1.552 178 M CB -0.506 32.148 32.600 0.089 0.000 1.187 178 M HN 0.088 nan 8.290 nan 0.000 0.520 179 T N 1.967 116.588 114.554 0.111 0.000 2.814 179 T HA 0.533 4.883 4.350 -0.000 0.000 0.284 179 T C -1.956 172.818 174.700 0.123 0.000 0.998 179 T CA -1.479 60.682 62.100 0.102 0.000 0.935 179 T CB 0.048 68.965 68.868 0.083 0.000 1.167 179 T HN 0.336 nan 8.240 nan 0.000 0.545 180 P HA 0.017 nan 4.420 nan 0.000 0.225 180 P C 1.139 178.522 177.300 0.139 0.000 1.148 180 P CA 0.921 64.077 63.100 0.092 0.000 0.779 180 P CB -0.094 31.658 31.700 0.087 0.000 0.780 181 T N -1.280 113.350 114.554 0.126 0.000 2.980 181 T HA 0.042 4.392 4.350 -0.000 0.000 0.239 181 T C 1.610 176.378 174.700 0.113 0.000 1.011 181 T CA 0.528 62.696 62.100 0.114 0.000 1.171 181 T CB -0.317 68.601 68.868 0.085 0.000 0.873 181 T HN 0.089 nan 8.240 nan 0.000 0.431 182 K N 1.103 121.563 120.400 0.101 0.000 2.160 182 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 182 K C 2.024 178.673 176.600 0.083 0.000 1.047 182 K CA 1.194 57.527 56.287 0.077 0.000 0.930 182 K CB -0.504 32.040 32.500 0.073 0.000 0.720 182 K HN 0.302 nan 8.250 nan 0.000 0.450 183 F N 2.098 122.051 119.950 0.005 0.000 2.069 183 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 183 F C 2.346 178.135 175.800 -0.018 0.000 1.113 183 F CA 1.649 59.643 58.000 -0.010 0.000 1.214 183 F CB -0.449 38.541 39.000 -0.018 0.000 0.978 183 F HN -0.006 nan 8.300 nan 0.000 0.474 184 A N 0.177 123.118 122.820 0.202 0.000 1.933 184 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 184 A C 2.173 179.735 177.584 -0.038 0.000 1.175 184 A CA 1.783 53.872 52.037 0.087 0.000 0.628 184 A CB -0.832 18.249 19.000 0.135 0.000 0.814 184 A HN 0.581 nan 8.150 nan 0.000 0.444 185 E N -0.196 119.993 120.200 -0.019 0.000 2.031 185 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 185 E C 2.002 178.553 176.600 -0.082 0.000 0.994 185 E CA 1.453 57.831 56.400 -0.036 0.000 0.800 185 E CB -0.370 29.325 29.700 -0.008 0.000 0.752 185 E HN 0.721 nan 8.360 nan 0.000 0.447 186 I N 1.069 121.569 120.570 -0.117 0.000 2.208 186 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 186 I C 2.502 178.497 176.117 -0.203 0.000 1.097 186 I CA 0.839 62.049 61.300 -0.149 0.000 1.363 186 I CB -0.350 37.546 38.000 -0.173 0.000 1.051 186 I HN -0.049 nan 8.210 nan 0.000 0.413 187 V N 0.831 120.564 119.914 -0.303 0.000 2.270 187 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 187 V C 2.539 178.529 176.094 -0.175 0.000 1.043 187 V CA 2.237 64.357 62.300 -0.300 0.000 1.014 187 V CB -0.809 30.782 31.823 -0.387 0.000 0.645 187 V HN 0.540 nan 8.190 nan 0.000 0.447 188 E N 0.628 120.745 120.200 -0.138 0.000 2.070 188 E HA -0.344 4.006 4.350 -0.000 0.000 0.197 188 E C 2.249 178.795 176.600 -0.091 0.000 1.004 188 E CA 2.040 58.377 56.400 -0.104 0.000 0.805 188 E CB -0.250 29.396 29.700 -0.090 0.000 0.744 188 E HN 0.754 nan 8.360 nan 0.000 0.451 189 E N -0.075 120.072 120.200 -0.088 0.000 2.153 189 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 189 E C 1.809 178.367 176.600 -0.071 0.000 0.988 189 E CA 1.038 57.396 56.400 -0.070 0.000 0.811 189 E CB -0.028 29.634 29.700 -0.063 0.000 0.746 189 E HN 0.297 nan 8.360 nan 0.000 0.466 190 N N 0.340 118.983 118.700 -0.094 0.000 2.376 190 N HA -0.082 4.657 4.740 -0.000 0.000 0.177 190 N C 1.809 177.263 175.510 -0.093 0.000 1.024 190 N CA 0.360 53.354 53.050 -0.094 0.000 0.893 190 N CB 0.103 38.518 38.487 -0.120 0.000 0.980 190 N HN 0.219 nan 8.380 nan 0.000 0.439 191 L N 1.676 122.842 121.223 -0.095 0.000 2.162 191 L HA 0.058 4.397 4.340 -0.000 0.000 0.205 191 L C 1.879 178.719 176.870 -0.050 0.000 1.086 191 L CA 1.646 56.435 54.840 -0.084 0.000 0.778 191 L CB -0.252 41.758 42.059 -0.081 0.000 0.928 191 L HN -0.153 nan 8.230 nan 0.000 0.446 192 K N -0.994 119.379 120.400 -0.046 0.000 2.103 192 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 192 K C 1.856 178.443 176.600 -0.022 0.000 1.052 192 K CA 1.245 57.516 56.287 -0.027 0.000 0.945 192 K CB -0.013 32.465 32.500 -0.037 0.000 0.722 192 K HN 0.251 nan 8.250 nan 0.000 0.443 193 S N 0.613 116.294 115.700 -0.032 0.000 2.555 193 S HA -0.013 4.456 4.470 -0.000 0.000 0.230 193 S C 1.689 176.273 174.600 -0.027 0.000 0.978 193 S CA 0.690 58.874 58.200 -0.026 0.000 0.934 193 S CB 0.138 63.320 63.200 -0.029 0.000 0.766 193 S HN 0.356 nan 8.310 nan 0.000 0.533 194 A N 1.337 124.134 122.820 -0.039 0.000 1.878 194 A HA 0.330 4.650 4.320 -0.000 0.000 0.213 194 A C 1.190 178.764 177.584 -0.017 0.000 1.192 194 A CA 0.834 52.840 52.037 -0.051 0.000 0.619 194 A CB -0.020 18.921 19.000 -0.099 0.000 0.837 194 A HN 0.528 nan 8.150 nan 0.000 0.446 195 S N -1.765 113.944 115.700 0.017 0.000 2.547 195 S HA 0.418 4.887 4.470 -0.000 0.000 0.270 195 S C 0.265 174.901 174.600 0.059 0.000 1.150 195 S CA -0.070 58.169 58.200 0.066 0.000 0.850 195 S CB 0.690 63.992 63.200 0.171 0.000 1.118 195 S HN 0.904 nan 8.310 nan 0.000 0.461 196 I N -0.566 120.033 120.570 0.048 0.000 3.251 196 I HA 0.427 4.597 4.170 -0.000 0.000 0.277 196 I C 0.891 177.030 176.117 0.036 0.000 1.268 196 I CA 0.361 61.679 61.300 0.031 0.000 1.449 196 I CB -0.542 37.469 38.000 0.018 0.000 1.083 196 I HN 0.454 nan 8.210 nan 0.000 0.464 197 K N 2.630 123.062 120.400 0.053 0.000 3.358 197 K HA 0.195 4.514 4.320 -0.000 0.000 0.297 197 K C -0.118 176.510 176.600 0.047 0.000 1.064 197 K CA 0.342 56.640 56.287 0.020 0.000 1.144 197 K CB -1.071 31.406 32.500 -0.040 0.000 1.289 197 K HN 0.648 nan 8.250 nan 0.000 0.372 198 T N -3.261 111.330 114.554 0.062 0.000 2.956 198 T HA 0.403 4.752 4.350 -0.000 0.000 0.312 198 T C -1.104 173.614 174.700 0.031 0.000 1.151 198 T CA -1.151 61.001 62.100 0.085 0.000 1.024 198 T CB 2.139 71.062 68.868 0.091 0.000 1.140 198 T HN -0.101 nan 8.240 nan 0.000 0.473 199 D N 1.417 121.850 120.400 0.055 0.000 2.646 199 D HA 0.618 5.257 4.640 -0.000 0.000 0.245 199 D C -0.807 175.344 176.300 -0.249 0.000 1.099 199 D CA -0.342 53.604 54.000 -0.091 0.000 0.849 199 D CB 2.701 43.527 40.800 0.043 0.000 1.448 199 D HN 0.470 nan 8.370 nan 0.000 0.489 200 V N 2.028 121.577 119.914 -0.608 0.000 2.735 200 V HA 0.519 4.639 4.120 -0.000 0.000 0.310 200 V C -0.993 174.492 176.094 -1.015 0.000 1.061 200 V CA -0.761 61.179 62.300 -0.600 0.000 0.913 200 V CB 1.887 33.553 31.823 -0.262 0.000 1.005 200 V HN 0.379 nan 8.190 nan 0.000 0.428 201 F N 3.681 123.656 119.950 0.041 0.000 2.771 201 F HA 0.545 5.072 4.527 -0.000 0.000 0.365 201 F C 0.111 175.894 175.800 -0.029 0.000 1.169 201 F CA -0.493 57.501 58.000 -0.011 0.000 1.093 201 F CB 1.089 40.067 39.000 -0.038 0.000 1.363 201 F HN 0.233 nan 8.300 nan 0.000 0.496 202 I N 4.116 124.741 120.570 0.092 0.000 2.204 202 I HA 0.183 4.352 4.170 -0.000 0.000 0.291 202 I C 0.399 176.570 176.117 0.091 0.000 1.153 202 I CA -0.167 61.187 61.300 0.090 0.000 1.546 202 I CB -0.401 37.638 38.000 0.064 0.000 1.490 202 I HN 0.393 nan 8.210 nan 0.000 0.697 203 R N 5.566 126.095 120.500 0.048 0.000 2.489 203 R HA 0.223 4.563 4.340 -0.000 0.000 0.287 203 R C -2.210 174.204 176.300 0.190 0.000 1.053 203 R CA -1.170 54.912 56.100 -0.029 0.000 1.036 203 R CB 0.158 30.120 30.300 -0.562 0.000 0.966 203 R HN 0.239 nan 8.270 nan 0.000 0.432 204 P HA 0.116 nan 4.420 nan 0.000 0.301 204 P C -0.097 177.337 177.300 0.224 0.000 1.309 204 P CA -0.620 62.602 63.100 0.204 0.000 0.782 204 P CB 0.948 32.736 31.700 0.145 0.000 1.282 205 K N 0.238 120.713 120.400 0.125 0.000 2.077 205 K HA -0.199 4.121 4.320 -0.000 0.000 0.213 205 K C 2.084 178.717 176.600 0.054 0.000 1.051 205 K CA 2.778 59.094 56.287 0.049 0.000 0.929 205 K CB -0.610 31.891 32.500 0.001 0.000 0.715 205 K HN 0.513 nan 8.250 nan 0.000 0.451 206 S N -0.433 115.316 115.700 0.082 0.000 2.383 206 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 206 S C 1.774 176.400 174.600 0.042 0.000 1.030 206 S CA 1.198 59.432 58.200 0.057 0.000 1.002 206 S CB -0.781 62.465 63.200 0.076 0.000 0.829 206 S HN 0.639 nan 8.310 nan 0.000 0.467 207 W N 2.058 123.347 121.300 -0.018 0.000 2.443 207 W HA 0.238 4.898 4.660 -0.000 0.000 0.296 207 W C 1.731 178.202 176.519 -0.079 0.000 1.202 207 W CA 0.700 58.022 57.345 -0.038 0.000 1.312 207 W CB -0.203 29.248 29.460 -0.016 0.000 1.120 207 W HN 0.243 nan 8.180 nan 0.000 0.536 208 I N 0.703 121.257 120.570 -0.026 0.000 2.394 208 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 208 I C 2.148 178.107 176.117 -0.264 0.000 1.136 208 I CA 1.487 62.684 61.300 -0.172 0.000 1.425 208 I CB -0.605 37.441 38.000 0.076 0.000 1.079 208 I HN 0.023 nan 8.210 nan 0.000 0.425 209 E N 0.750 120.839 120.200 -0.185 0.000 2.051 209 E HA -0.275 4.075 4.350 -0.000 0.000 0.192 209 E C 2.127 178.603 176.600 -0.206 0.000 0.991 209 E CA 1.259 57.561 56.400 -0.162 0.000 0.799 209 E CB -0.161 29.477 29.700 -0.103 0.000 0.748 209 E HN 0.451 nan 8.360 nan 0.000 0.449 210 E N 0.669 120.708 120.200 -0.268 0.000 2.160 210 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 210 E C 1.713 178.076 176.600 -0.396 0.000 0.991 210 E CA 0.895 57.111 56.400 -0.307 0.000 0.810 210 E CB 0.176 29.678 29.700 -0.330 0.000 0.742 210 E HN 0.156 nan 8.360 nan 0.000 0.466 211 Q N 0.254 119.700 119.800 -0.589 0.000 2.482 211 Q HA -0.033 4.307 4.340 -0.000 0.000 0.209 211 Q C -0.164 175.659 176.000 -0.296 0.000 0.961 211 Q CA 0.446 55.908 55.803 -0.567 0.000 0.945 211 Q CB 0.153 28.349 28.738 -0.903 0.000 1.012 211 Q HN 0.378 nan 8.270 nan 0.000 0.515 212 E N -0.123 119.941 120.200 -0.226 0.000 2.389 212 E HA -0.213 4.137 4.350 -0.000 0.000 0.243 212 E C -0.576 175.972 176.600 -0.087 0.000 1.154 212 E CA 0.212 56.535 56.400 -0.128 0.000 0.723 212 E CB -1.549 28.097 29.700 -0.091 0.000 1.261 212 E HN 0.388 nan 8.360 nan 0.000 0.390 213 M N 0.321 119.860 119.600 -0.102 0.000 3.561 213 M HA 0.122 4.601 4.480 -0.000 0.000 0.230 213 M C 1.684 177.976 176.300 -0.013 0.000 1.387 213 M CA 0.209 55.500 55.300 -0.014 0.000 1.570 213 M CB 0.321 32.956 32.600 0.059 0.000 1.057 213 M HN 0.306 nan 8.290 nan 0.000 0.607 214 G N 0.299 109.089 108.800 -0.016 0.000 2.421 214 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.216 214 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.216 214 G C 1.581 176.480 174.900 -0.000 0.000 1.171 214 G CA 1.142 46.230 45.100 -0.020 0.000 0.775 214 G HN 0.528 nan 8.290 nan 0.000 0.543 215 S N -0.310 115.406 115.700 0.028 0.000 2.368 215 S HA -0.115 4.354 4.470 -0.000 0.000 0.225 215 S C 2.054 176.711 174.600 0.096 0.000 1.030 215 S CA 1.407 59.632 58.200 0.041 0.000 0.999 215 S CB -0.399 62.803 63.200 0.004 0.000 0.844 215 S HN 0.355 nan 8.310 nan 0.000 0.459 216 F N 1.763 121.703 119.950 -0.017 0.000 2.186 216 F HA 0.089 4.616 4.527 -0.000 0.000 0.299 216 F C 1.604 177.408 175.800 0.007 0.000 1.090 216 F CA 0.780 58.781 58.000 0.002 0.000 1.307 216 F CB -0.907 38.127 39.000 0.057 0.000 1.019 216 F HN 0.206 nan 8.300 nan 0.000 0.489 217 L N 0.743 121.853 121.223 -0.188 0.000 2.093 217 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 217 L C 2.883 179.673 176.870 -0.133 0.000 1.085 217 L CA 1.999 56.662 54.840 -0.295 0.000 0.755 217 L CB -1.461 40.464 42.059 -0.223 0.000 0.904 217 L HN 0.370 nan 8.230 nan 0.000 0.435 218 S N -1.840 113.828 115.700 -0.054 0.000 2.399 218 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 218 S C 1.958 176.551 174.600 -0.012 0.000 1.022 218 S CA 1.278 59.464 58.200 -0.025 0.000 0.983 218 S CB -0.949 62.251 63.200 -0.001 0.000 0.803 218 S HN 0.199 nan 8.310 nan 0.000 0.480 219 V N 2.635 122.555 119.914 0.010 0.000 2.283 219 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 219 V C 3.152 179.259 176.094 0.021 0.000 1.039 219 V CA 1.501 63.820 62.300 0.031 0.000 1.016 219 V CB -1.600 30.274 31.823 0.085 0.000 0.650 219 V HN 0.633 nan 8.190 nan 0.000 0.449 220 A N 1.433 124.252 122.820 -0.002 0.000 1.978 220 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 220 A C 2.222 179.796 177.584 -0.017 0.000 1.170 220 A CA 2.177 54.206 52.037 -0.013 0.000 0.636 220 A CB -0.593 18.343 19.000 -0.106 0.000 0.810 220 A HN 0.768 nan 8.150 nan 0.000 0.448 221 K N -0.426 119.953 120.400 -0.034 0.000 2.360 221 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 221 K C 1.752 178.349 176.600 -0.006 0.000 1.046 221 K CA 1.276 57.548 56.287 -0.025 0.000 0.945 221 K CB -0.732 31.749 32.500 -0.031 0.000 0.750 221 K HN 0.255 nan 8.250 nan 0.000 0.464 222 G N 1.274 110.076 108.800 0.004 0.000 2.459 222 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 222 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 222 G C 0.713 175.624 174.900 0.020 0.000 1.183 222 G CA 0.571 45.679 45.100 0.014 0.000 0.776 222 G HN 0.381 nan 8.290 nan 0.000 0.552 223 S N -0.408 115.308 115.700 0.028 0.000 2.608 223 S HA 0.253 4.723 4.470 -0.000 0.000 0.261 223 S C 1.096 175.710 174.600 0.022 0.000 1.314 223 S CA -0.357 57.863 58.200 0.033 0.000 0.992 223 S CB 0.768 63.997 63.200 0.048 0.000 0.935 223 S HN 0.301 nan 8.310 nan 0.000 0.564 224 E N 0.619 120.832 120.200 0.023 0.000 2.481 224 E HA 0.150 4.500 4.350 -0.000 0.000 0.198 224 E C -0.116 176.499 176.600 0.025 0.000 1.027 224 E CA 0.013 56.424 56.400 0.018 0.000 0.900 224 E CB 0.041 29.750 29.700 0.016 0.000 0.993 224 E HN 0.522 nan 8.360 nan 0.000 0.482 225 E N 2.261 122.482 120.200 0.034 0.000 2.316 225 E HA 0.164 4.513 4.350 -0.000 0.000 0.275 225 E C -2.486 174.141 176.600 0.046 0.000 1.029 225 E CA -2.372 54.054 56.400 0.043 0.000 0.871 225 E CB 0.810 30.542 29.700 0.053 0.000 1.022 225 E HN -0.192 nan 8.360 nan 0.000 0.418 226 P HA 0.131 nan 4.420 nan 0.000 0.271 226 P C -2.478 174.868 177.300 0.077 0.000 1.216 226 P CA -0.982 62.150 63.100 0.053 0.000 0.771 226 P CB 0.348 32.082 31.700 0.057 0.000 0.864 227 P HA 0.073 nan 4.420 nan 0.000 0.271 227 P C -0.931 176.492 177.300 0.204 0.000 1.218 227 P CA 0.221 63.404 63.100 0.138 0.000 0.780 227 P CB 0.759 32.405 31.700 -0.089 0.000 0.901 228 V N 4.350 124.467 119.914 0.337 0.000 2.532 228 V HA 0.209 4.329 4.120 -0.000 0.000 0.294 228 V C -0.663 175.676 176.094 0.409 0.000 1.036 228 V CA -0.526 61.956 62.300 0.304 0.000 0.876 228 V CB 1.312 33.250 31.823 0.191 0.000 1.012 228 V HN 0.452 nan 8.190 nan 0.000 0.432 229 F N 6.430 126.573 119.950 0.322 0.000 2.411 229 F HA 0.689 5.216 4.527 -0.000 0.000 0.355 229 F C -0.466 175.355 175.800 0.035 0.000 1.117 229 F CA -0.641 57.476 58.000 0.195 0.000 1.139 229 F CB 1.267 40.488 39.000 0.367 0.000 1.120 229 F HN 0.424 nan 8.300 nan 0.000 0.493 230 L N 5.949 127.132 121.223 -0.066 0.000 2.307 230 L HA 0.428 4.768 4.340 -0.000 0.000 0.282 230 L C -0.815 176.113 176.870 0.096 0.000 1.051 230 L CA -0.177 54.688 54.840 0.041 0.000 0.804 230 L CB 1.311 43.374 42.059 0.008 0.000 1.197 230 L HN 0.728 nan 8.230 nan 0.000 0.431 231 E N 4.107 124.425 120.200 0.196 0.000 2.182 231 E HA 0.408 4.758 4.350 -0.000 0.000 0.258 231 E C -1.213 175.414 176.600 0.044 0.000 0.879 231 E CA -0.637 55.887 56.400 0.207 0.000 0.754 231 E CB 1.112 31.082 29.700 0.449 0.000 1.162 231 E HN 0.588 nan 8.360 nan 0.000 0.419 232 I N 4.029 124.502 120.570 -0.162 0.000 2.532 232 I HA 0.258 4.428 4.170 -0.000 0.000 0.292 232 I C -0.243 175.551 176.117 -0.538 0.000 1.014 232 I CA -0.083 61.086 61.300 -0.219 0.000 1.340 232 I CB 0.868 38.785 38.000 -0.139 0.000 1.422 232 I HN 0.526 nan 8.210 nan 0.000 0.528 233 H N 5.014 124.125 119.070 0.068 0.000 2.974 233 H HA 0.318 4.874 4.556 -0.000 0.000 0.366 233 H C -1.765 173.636 175.328 0.123 0.000 1.155 233 H CA -0.622 55.482 56.048 0.093 0.000 1.186 233 H CB 1.959 31.800 29.762 0.131 0.000 1.799 233 H HN 0.457 nan 8.280 nan 0.000 0.541 234 Y N 1.856 122.220 120.300 0.107 0.000 2.396 234 Y HA 0.304 4.853 4.550 -0.000 0.000 0.332 234 Y C -1.181 174.749 175.900 0.049 0.000 1.034 234 Y CA -0.874 57.247 58.100 0.035 0.000 1.057 234 Y CB 1.321 39.759 38.460 -0.036 0.000 1.220 234 Y HN 0.419 nan 8.280 nan 0.000 0.440 235 K N 4.796 124.854 120.400 -0.571 0.000 2.432 235 K HA 0.375 4.695 4.320 -0.000 0.000 0.226 235 K C 0.792 177.000 176.600 -0.653 0.000 1.057 235 K CA -0.042 55.998 56.287 -0.411 0.000 1.034 235 K CB 1.150 33.541 32.500 -0.181 0.000 1.561 235 K HN 0.945 nan 8.250 nan 0.000 0.492 236 G N 0.805 109.103 108.800 -0.836 0.000 2.396 236 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 236 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 236 G C 0.477 175.264 174.900 -0.189 0.000 1.166 236 G CA -0.032 44.746 45.100 -0.536 0.000 0.793 236 G HN 0.434 nan 8.290 nan 0.000 0.533 237 S N 2.369 117.992 115.700 -0.128 0.000 2.544 237 S HA 0.160 4.630 4.470 -0.000 0.000 0.290 237 S C -0.747 173.821 174.600 -0.053 0.000 1.276 237 S CA -0.699 57.468 58.200 -0.055 0.000 1.075 237 S CB 1.638 64.825 63.200 -0.022 0.000 0.849 237 S HN 0.195 nan 8.310 nan 0.000 0.494 238 P HA -0.177 nan 4.420 nan 0.000 0.216 238 P C 0.209 177.498 177.300 -0.019 0.000 1.167 238 P CA 1.327 64.413 63.100 -0.023 0.000 0.914 238 P CB -0.295 31.396 31.700 -0.014 0.000 0.793 239 N N -0.254 118.439 118.700 -0.012 0.000 2.419 239 N HA 0.230 4.969 4.740 -0.000 0.000 0.264 239 N C 0.954 176.458 175.510 -0.010 0.000 1.031 239 N CA 0.170 53.216 53.050 -0.008 0.000 0.951 239 N CB 1.583 40.070 38.487 0.000 0.000 1.101 239 N HN -0.046 nan 8.380 nan 0.000 0.488 240 A N 3.407 126.219 122.820 -0.014 0.000 1.873 240 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 240 A C 2.040 179.624 177.584 0.001 0.000 1.193 240 A CA 1.789 53.816 52.037 -0.016 0.000 0.629 240 A CB -1.077 17.914 19.000 -0.015 0.000 0.826 240 A HN 0.741 nan 8.150 nan 0.000 0.447 241 S N 0.352 116.057 115.700 0.008 0.000 2.571 241 S HA -0.053 4.417 4.470 -0.000 0.000 0.245 241 S C 0.506 175.126 174.600 0.033 0.000 0.976 241 S CA 0.182 58.394 58.200 0.019 0.000 0.954 241 S CB -0.453 62.756 63.200 0.015 0.000 0.756 241 S HN 0.496 nan 8.310 nan 0.000 0.535 242 E N 2.803 123.024 120.200 0.036 0.000 2.480 242 E HA 0.042 4.392 4.350 -0.000 0.000 0.258 242 E C -2.166 174.480 176.600 0.077 0.000 0.984 242 E CA -1.499 54.935 56.400 0.057 0.000 0.930 242 E CB 0.349 30.084 29.700 0.058 0.000 0.936 242 E HN 0.256 nan 8.360 nan 0.000 0.466 243 P HA 0.175 nan 4.420 nan 0.000 0.274 243 P C -2.520 174.860 177.300 0.133 0.000 1.231 243 P CA -1.220 61.950 63.100 0.118 0.000 0.790 243 P CB 0.684 32.457 31.700 0.122 0.000 0.951 244 P HA 0.357 nan 4.420 nan 0.000 0.306 244 P C -0.846 176.508 177.300 0.090 0.000 1.309 244 P CA -0.459 62.706 63.100 0.109 0.000 0.759 244 P CB 0.823 32.592 31.700 0.115 0.000 1.314 245 L N -0.505 120.739 121.223 0.036 0.000 2.329 245 L HA 0.475 4.814 4.340 -0.000 0.000 0.279 245 L C -0.188 176.737 176.870 0.090 0.000 1.014 245 L CA -0.720 54.148 54.840 0.047 0.000 0.814 245 L CB 1.820 43.839 42.059 -0.067 0.000 1.257 245 L HN 0.048 nan 8.230 nan 0.000 0.424 246 V N 2.994 123.022 119.914 0.189 0.000 2.487 246 V HA 0.467 4.587 4.120 -0.000 0.000 0.298 246 V C -0.727 175.609 176.094 0.404 0.000 1.028 246 V CA -0.498 61.898 62.300 0.160 0.000 0.860 246 V CB 1.523 33.348 31.823 0.004 0.000 0.991 246 V HN 0.336 nan 8.190 nan 0.000 0.427 247 F N 3.779 123.695 119.950 -0.057 0.000 2.420 247 F HA 0.692 5.219 4.527 -0.000 0.000 0.342 247 F C 0.247 176.016 175.800 -0.051 0.000 1.113 247 F CA -0.993 56.988 58.000 -0.032 0.000 1.059 247 F CB 1.777 40.760 39.000 -0.028 0.000 1.128 247 F HN 0.157 nan 8.300 nan 0.000 0.475 248 V N 1.364 121.309 119.914 0.052 0.000 2.919 248 V HA 0.964 5.084 4.120 -0.000 0.000 0.316 248 V C -0.040 176.029 176.094 -0.042 0.000 1.077 248 V CA -0.799 61.499 62.300 -0.003 0.000 0.977 248 V CB 2.134 33.973 31.823 0.027 0.000 1.039 248 V HN 0.881 nan 8.190 nan 0.000 0.441 249 G N 1.987 110.723 108.800 -0.105 0.000 2.750 249 G HA2 0.514 4.473 3.960 -0.000 0.000 0.298 249 G HA3 0.514 4.473 3.960 -0.000 0.000 0.298 249 G C -1.325 173.458 174.900 -0.195 0.000 1.412 249 G CA -0.850 44.182 45.100 -0.113 0.000 1.078 249 G HN 0.853 nan 8.290 nan 0.000 0.573 250 K N 0.417 120.714 120.400 -0.172 0.000 2.249 250 K HA 0.650 4.970 4.320 -0.000 0.000 0.280 250 K C 0.620 177.060 176.600 -0.266 0.000 1.033 250 K CA -0.108 56.047 56.287 -0.219 0.000 0.946 250 K CB 1.762 34.165 32.500 -0.162 0.000 1.005 250 K HN 0.624 nan 8.250 nan 0.000 0.469 251 G N 4.833 113.440 108.800 -0.322 0.000 4.864 251 G HA2 0.231 4.191 3.960 -0.000 0.000 0.280 251 G HA3 0.231 4.191 3.960 -0.000 0.000 0.280 251 G C -0.461 174.279 174.900 -0.266 0.000 1.239 251 G CA -0.565 44.306 45.100 -0.380 0.000 0.951 251 G HN 0.543 nan 8.290 nan 0.000 0.583 252 I N 3.022 123.476 120.570 -0.193 0.000 2.494 252 I HA 0.022 4.192 4.170 -0.000 0.000 0.289 252 I C 2.040 178.079 176.117 -0.129 0.000 1.106 252 I CA 0.401 61.622 61.300 -0.132 0.000 1.369 252 I CB 0.262 38.178 38.000 -0.140 0.000 1.410 252 I HN 0.317 nan 8.210 nan 0.000 0.523 253 T N 3.639 118.153 114.554 -0.066 0.000 2.904 253 T HA -0.066 4.283 4.350 -0.000 0.000 0.267 253 T C 0.361 175.112 174.700 0.085 0.000 1.059 253 T CA 0.761 62.857 62.100 -0.007 0.000 1.137 253 T CB 0.035 68.929 68.868 0.042 0.000 0.879 253 T HN 0.271 nan 8.240 nan 0.000 0.467 254 F N 1.119 121.051 119.950 -0.029 0.000 2.573 254 F HA 0.514 5.040 4.527 -0.000 0.000 0.316 254 F C -1.827 173.961 175.800 -0.020 0.000 1.148 254 F CA -1.880 56.108 58.000 -0.020 0.000 0.940 254 F CB 2.120 41.115 39.000 -0.008 0.000 1.214 254 F HN -0.116 nan 8.300 nan 0.000 0.448 255 D N 2.435 122.208 120.400 -1.045 0.000 2.441 255 D HA 0.226 4.866 4.640 -0.000 0.000 0.231 255 D C 0.317 176.286 176.300 -0.551 0.000 1.073 255 D CA 0.060 53.715 54.000 -0.575 0.000 0.850 255 D CB 1.485 42.049 40.800 -0.393 0.000 1.062 255 D HN 0.467 nan 8.370 nan 0.000 0.524 256 S N 1.807 117.430 115.700 -0.128 0.000 2.540 256 S HA 0.339 4.808 4.470 -0.000 0.000 0.218 256 S C 1.530 176.140 174.600 0.016 0.000 0.977 256 S CA 0.473 58.724 58.200 0.084 0.000 0.918 256 S CB 0.424 63.773 63.200 0.248 0.000 0.806 256 S HN 0.674 nan 8.310 nan 0.000 0.496 257 G N 0.778 109.554 108.800 -0.040 0.000 2.299 257 G HA2 0.069 4.029 3.960 -0.000 0.000 0.237 257 G HA3 0.069 4.029 3.960 -0.000 0.000 0.237 257 G C 1.249 176.141 174.900 -0.013 0.000 1.027 257 G CA 0.321 45.402 45.100 -0.031 0.000 0.619 257 G HN 1.893 nan 8.290 nan 0.000 0.513 258 G N 0.077 108.883 108.800 0.010 0.000 2.498 258 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.245 258 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.245 258 G C 0.828 175.737 174.900 0.015 0.000 1.204 258 G CA 0.417 45.526 45.100 0.015 0.000 0.933 258 G HN 0.976 nan 8.290 nan 0.000 0.574 259 I N 1.466 122.042 120.570 0.011 0.000 2.361 259 I HA -0.034 4.135 4.170 -0.000 0.000 0.251 259 I C 2.138 178.260 176.117 0.008 0.000 1.133 259 I CA 1.951 63.257 61.300 0.011 0.000 1.413 259 I CB -1.135 36.870 38.000 0.008 0.000 1.073 259 I HN 0.331 nan 8.210 nan 0.000 0.424 260 S N 1.867 117.569 115.700 0.004 0.000 4.183 260 S HA 0.233 4.703 4.470 -0.000 0.000 0.195 260 S C 0.482 175.082 174.600 0.001 0.000 1.421 260 S CA -0.177 58.023 58.200 0.001 0.000 0.920 260 S CB -0.557 62.640 63.200 -0.005 0.000 1.525 260 S HN 0.164 nan 8.310 nan 0.000 0.447 261 I N 2.689 123.264 120.570 0.008 0.000 2.496 261 I HA 0.117 4.287 4.170 -0.000 0.000 0.285 261 I C 0.501 176.627 176.117 0.015 0.000 1.080 261 I CA -0.457 60.852 61.300 0.015 0.000 1.404 261 I CB 0.533 38.547 38.000 0.023 0.000 1.403 261 I HN 0.302 nan 8.210 nan 0.000 0.539 262 K N 5.405 125.815 120.400 0.018 0.000 2.234 262 K HA 0.296 4.616 4.320 -0.000 0.000 0.251 262 K C -0.045 176.570 176.600 0.026 0.000 1.011 262 K CA -0.484 55.813 56.287 0.017 0.000 0.889 262 K CB 0.354 32.864 32.500 0.017 0.000 1.011 262 K HN 0.675 nan 8.250 nan 0.000 0.505 263 A N 0.664 123.497 122.820 0.021 0.000 2.322 263 A HA 0.373 4.693 4.320 -0.000 0.000 0.269 263 A C 1.015 178.618 177.584 0.033 0.000 1.094 263 A CA 0.208 52.259 52.037 0.023 0.000 0.807 263 A CB 0.697 19.707 19.000 0.017 0.000 1.047 263 A HN 0.818 nan 8.150 nan 0.000 0.487 264 A N 1.653 124.491 122.820 0.031 0.000 2.067 264 A HA 0.338 4.658 4.320 -0.000 0.000 0.219 264 A C 1.469 179.074 177.584 0.035 0.000 1.158 264 A CA 1.172 53.230 52.037 0.036 0.000 0.661 264 A CB -0.845 18.171 19.000 0.026 0.000 0.801 264 A HN 1.909 nan 8.150 nan 0.000 0.452 265 A N 0.268 123.104 122.820 0.027 0.000 2.496 265 A HA 0.345 4.665 4.320 -0.000 0.000 0.278 265 A C 0.591 178.192 177.584 0.028 0.000 1.137 265 A CA 0.326 52.377 52.037 0.023 0.000 0.805 265 A CB -1.212 17.798 19.000 0.016 0.000 1.077 265 A HN 0.647 nan 8.150 nan 0.000 0.513 266 N N 1.092 119.811 118.700 0.032 0.000 2.716 266 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 266 N C 0.689 176.232 175.510 0.055 0.000 1.033 266 N CA 0.978 54.051 53.050 0.038 0.000 0.727 266 N CB -0.842 37.660 38.487 0.025 0.000 0.950 266 N HN 0.838 nan 8.380 nan 0.000 0.541 267 M N 0.100 119.748 119.600 0.081 0.000 2.557 267 M HA -0.099 4.381 4.480 -0.000 0.000 0.259 267 M C 1.430 177.873 176.300 0.238 0.000 1.086 267 M CA 1.275 56.655 55.300 0.132 0.000 1.096 267 M CB 0.051 32.751 32.600 0.167 0.000 1.424 267 M HN 0.287 nan 8.290 nan 0.000 0.488 268 D N 0.333 120.838 120.400 0.175 0.000 2.392 268 D HA -0.146 4.493 4.640 -0.000 0.000 0.228 268 D C 1.372 177.783 176.300 0.186 0.000 1.003 268 D CA 0.680 54.797 54.000 0.195 0.000 0.917 268 D CB -0.417 40.439 40.800 0.094 0.000 0.890 268 D HN 0.422 nan 8.370 nan 0.000 0.532 269 L N -0.559 120.736 121.223 0.120 0.000 2.558 269 L HA 0.073 4.413 4.340 -0.000 0.000 0.225 269 L C 1.802 178.684 176.870 0.020 0.000 1.128 269 L CA -0.023 54.853 54.840 0.061 0.000 0.868 269 L CB -0.105 41.967 42.059 0.022 0.000 1.006 269 L HN -0.085 nan 8.230 nan 0.000 0.454 270 M N -0.157 119.436 119.600 -0.012 0.000 2.619 270 M HA -0.027 4.452 4.480 -0.000 0.000 0.251 270 M C 2.080 178.197 176.300 -0.304 0.000 1.106 270 M CA 0.857 55.974 55.300 -0.305 0.000 1.086 270 M CB -0.861 31.312 32.600 -0.712 0.000 1.465 270 M HN 0.269 nan 8.290 nan 0.000 0.506 271 R N 0.090 120.652 120.500 0.105 0.000 2.341 271 R HA 0.095 4.435 4.340 -0.000 0.000 0.213 271 R C 0.990 177.313 176.300 0.038 0.000 1.082 271 R CA 1.340 57.562 56.100 0.204 0.000 1.017 271 R CB -0.505 29.939 30.300 0.240 0.000 0.860 271 R HN 0.194 nan 8.270 nan 0.000 0.473 272 A N 0.737 123.544 122.820 -0.023 0.000 2.637 272 A HA 0.134 4.454 4.320 -0.000 0.000 0.293 272 A C 0.171 177.708 177.584 -0.078 0.000 1.216 272 A CA -0.369 51.643 52.037 -0.041 0.000 0.956 272 A CB 0.326 19.309 19.000 -0.028 0.000 1.174 272 A HN 0.218 nan 8.150 nan 0.000 0.525 273 D N 0.085 120.412 120.400 -0.123 0.000 2.328 273 D HA 0.047 4.687 4.640 -0.000 0.000 0.226 273 D C 1.164 177.376 176.300 -0.147 0.000 1.066 273 D CA 0.552 54.465 54.000 -0.145 0.000 0.861 273 D CB 0.119 40.795 40.800 -0.206 0.000 0.912 273 D HN 0.455 nan 8.370 nan 0.000 0.521 274 M N -2.797 116.720 119.600 -0.139 0.000 2.560 274 M HA 0.473 4.952 4.480 -0.000 0.000 0.297 274 M C 1.545 177.761 176.300 -0.139 0.000 1.201 274 M CA -0.374 54.808 55.300 -0.197 0.000 0.973 274 M CB 0.264 32.717 32.600 -0.245 0.000 1.401 274 M HN -0.157 nan 8.290 nan 0.000 0.497 275 G N 0.650 109.399 108.800 -0.085 0.000 2.421 275 G HA2 0.095 4.055 3.960 -0.000 0.000 0.217 275 G HA3 0.095 4.055 3.960 -0.000 0.000 0.217 275 G C 1.312 176.187 174.900 -0.040 0.000 1.143 275 G CA 0.517 45.592 45.100 -0.042 0.000 0.784 275 G HN 0.609 nan 8.290 nan 0.000 0.541 276 G N 1.446 110.204 108.800 -0.070 0.000 2.511 276 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.216 276 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.216 276 G C 2.096 176.959 174.900 -0.063 0.000 1.218 276 G CA 1.774 46.836 45.100 -0.064 0.000 0.788 276 G HN 0.604 nan 8.290 nan 0.000 0.560 277 A N 1.134 123.871 122.820 -0.138 0.000 1.892 277 A HA 0.143 4.462 4.320 -0.000 0.000 0.218 277 A C 2.840 180.500 177.584 0.126 0.000 1.188 277 A CA 2.725 54.676 52.037 -0.143 0.000 0.631 277 A CB -0.931 17.751 19.000 -0.531 0.000 0.822 277 A HN 0.971 nan 8.150 nan 0.000 0.447 278 A N -1.519 121.400 122.820 0.164 0.000 1.933 278 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 278 A C 2.317 179.975 177.584 0.124 0.000 1.175 278 A CA 2.298 54.510 52.037 0.292 0.000 0.628 278 A CB -1.129 17.994 19.000 0.204 0.000 0.814 278 A HN 0.438 nan 8.150 nan 0.000 0.444 279 T N 0.597 115.192 114.554 0.067 0.000 2.770 279 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 279 T C 1.833 176.574 174.700 0.070 0.000 1.039 279 T CA 1.732 63.857 62.100 0.041 0.000 1.142 279 T CB -0.496 68.385 68.868 0.020 0.000 0.868 279 T HN 0.673 nan 8.240 nan 0.000 0.435 280 I N -0.534 120.098 120.570 0.104 0.000 2.439 280 I HA 0.021 4.191 4.170 -0.000 0.000 0.251 280 I C 2.430 178.635 176.117 0.147 0.000 1.139 280 I CA 0.821 62.248 61.300 0.212 0.000 1.438 280 I CB -1.094 37.046 38.000 0.232 0.000 1.085 280 I HN 0.148 nan 8.210 nan 0.000 0.427 281 C N 0.649 120.009 119.300 0.101 0.000 2.450 281 C HA -0.031 4.429 4.460 -0.000 0.000 0.279 281 C C 3.055 178.021 174.990 -0.040 0.000 1.335 281 C CA 1.408 60.450 59.018 0.039 0.000 1.749 281 C CB -1.223 26.569 27.740 0.087 0.000 1.963 281 C HN 0.631 nan 8.230 nan 0.000 0.501 282 S N 0.590 116.272 115.700 -0.031 0.000 2.414 282 S HA -0.004 4.466 4.470 -0.000 0.000 0.227 282 S C 2.101 176.642 174.600 -0.098 0.000 1.022 282 S CA 0.995 59.148 58.200 -0.078 0.000 0.958 282 S CB -0.259 62.901 63.200 -0.066 0.000 0.797 282 S HN 0.702 nan 8.310 nan 0.000 0.493 283 A N 2.414 125.203 122.820 -0.052 0.000 1.858 283 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 283 A C 1.970 179.445 177.584 -0.182 0.000 1.190 283 A CA 1.247 53.237 52.037 -0.079 0.000 0.617 283 A CB -0.650 18.388 19.000 0.064 0.000 0.827 283 A HN 0.425 nan 8.150 nan 0.000 0.443 284 I N 0.009 120.460 120.570 -0.199 0.000 2.179 284 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 284 I C 2.484 178.429 176.117 -0.287 0.000 1.088 284 I CA 1.171 62.305 61.300 -0.276 0.000 1.357 284 I CB -1.779 36.092 38.000 -0.216 0.000 1.051 284 I HN 0.117 nan 8.210 nan 0.000 0.409 285 V N 0.931 120.718 119.914 -0.212 0.000 2.317 285 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 285 V C 2.767 178.722 176.094 -0.232 0.000 1.065 285 V CA 2.274 64.454 62.300 -0.200 0.000 1.049 285 V CB -0.692 31.037 31.823 -0.157 0.000 0.651 285 V HN 0.402 nan 8.190 nan 0.000 0.450 286 S N -0.574 114.982 115.700 -0.241 0.000 2.357 286 S HA -0.055 4.415 4.470 -0.000 0.000 0.221 286 S C 2.147 176.554 174.600 -0.321 0.000 1.031 286 S CA 1.194 59.230 58.200 -0.273 0.000 0.982 286 S CB -0.360 62.655 63.200 -0.308 0.000 0.853 286 S HN 0.654 nan 8.310 nan 0.000 0.458 287 A N 1.080 123.682 122.820 -0.363 0.000 2.070 287 A HA 0.170 4.489 4.320 -0.000 0.000 0.220 287 A C 2.164 179.386 177.584 -0.604 0.000 1.159 287 A CA 1.561 53.366 52.037 -0.387 0.000 0.656 287 A CB -0.672 18.113 19.000 -0.359 0.000 0.800 287 A HN 0.500 nan 8.150 nan 0.000 0.453 288 A N -0.257 122.077 122.820 -0.811 0.000 1.930 288 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 288 A C 2.029 179.419 177.584 -0.324 0.000 1.176 288 A CA 1.557 53.046 52.037 -0.913 0.000 0.632 288 A CB -0.253 18.350 19.000 -0.662 0.000 0.819 288 A HN 0.457 nan 8.150 nan 0.000 0.445 289 K N -0.283 119.980 120.400 -0.230 0.000 2.097 289 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 289 K C 1.531 178.090 176.600 -0.068 0.000 1.050 289 K CA 0.921 57.139 56.287 -0.115 0.000 0.938 289 K CB -0.162 32.275 32.500 -0.106 0.000 0.718 289 K HN 0.260 nan 8.250 nan 0.000 0.442 290 L N 1.045 122.215 121.223 -0.089 0.000 2.291 290 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 290 L C -0.023 176.873 176.870 0.044 0.000 1.120 290 L CA 1.287 56.130 54.840 0.006 0.000 0.799 290 L CB -1.011 41.071 42.059 0.038 0.000 0.925 290 L HN 0.419 nan 8.230 nan 0.000 0.446 291 D N 1.075 121.480 120.400 0.009 0.000 3.142 291 D HA -0.216 4.424 4.640 -0.000 0.000 0.221 291 D C -0.415 175.983 176.300 0.162 0.000 1.193 291 D CA 0.327 54.414 54.000 0.144 0.000 0.900 291 D CB -0.105 40.780 40.800 0.140 0.000 0.886 291 D HN -0.080 nan 8.370 nan 0.000 0.399 292 L N 4.110 125.450 121.223 0.195 0.000 2.292 292 L HA 0.315 4.655 4.340 -0.000 0.000 0.284 292 L C -1.226 175.747 176.870 0.172 0.000 1.065 292 L CA -1.765 53.157 54.840 0.136 0.000 0.806 292 L CB 0.964 43.076 42.059 0.087 0.000 1.175 292 L HN 0.104 nan 8.230 nan 0.000 0.431 293 P HA 0.073 nan 4.420 nan 0.000 0.262 293 P C -0.770 176.556 177.300 0.044 0.000 1.647 293 P CA 0.393 63.513 63.100 0.033 0.000 0.865 293 P CB -0.665 31.034 31.700 -0.000 0.000 1.834 294 I N -3.084 117.526 120.570 0.068 0.000 2.752 294 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 294 I C -0.890 175.235 176.117 0.014 0.000 1.219 294 I CA -1.335 60.013 61.300 0.080 0.000 1.030 294 I CB 2.108 40.188 38.000 0.133 0.000 1.259 294 I HN -0.309 nan 8.210 nan 0.000 0.423 295 N N 6.074 124.774 118.700 0.001 0.000 2.419 295 N HA 0.623 5.362 4.740 -0.000 0.000 0.264 295 N C -0.828 174.703 175.510 0.034 0.000 1.031 295 N CA -0.158 52.879 53.050 -0.022 0.000 0.951 295 N CB 1.979 40.467 38.487 0.002 0.000 1.101 295 N HN 0.573 nan 8.380 nan 0.000 0.488 296 I N 0.517 121.122 120.570 0.058 0.000 2.846 296 I HA 0.525 4.694 4.170 -0.000 0.000 0.307 296 I C -0.320 175.771 176.117 -0.044 0.000 1.053 296 I CA -1.164 60.109 61.300 -0.045 0.000 1.050 296 I CB 2.181 40.094 38.000 -0.145 0.000 1.239 296 I HN -0.036 nan 8.210 nan 0.000 0.439 297 V N 2.458 122.299 119.914 -0.122 0.000 2.569 297 V HA 0.545 4.665 4.120 -0.000 0.000 0.301 297 V C 0.192 176.164 176.094 -0.202 0.000 1.044 297 V CA -0.578 61.584 62.300 -0.230 0.000 0.874 297 V CB 1.738 33.314 31.823 -0.411 0.000 1.002 297 V HN 0.928 nan 8.190 nan 0.000 0.424 298 G N 3.821 112.496 108.800 -0.208 0.000 2.372 298 G HA2 0.639 4.599 3.960 -0.000 0.000 0.283 298 G HA3 0.639 4.599 3.960 -0.000 0.000 0.283 298 G C -1.322 173.507 174.900 -0.117 0.000 1.177 298 G CA -0.273 44.765 45.100 -0.103 0.000 0.842 298 G HN 0.484 nan 8.290 nan 0.000 0.503 299 L N 1.452 122.623 121.223 -0.087 0.000 2.470 299 L HA 0.740 5.079 4.340 -0.000 0.000 0.268 299 L C -0.334 176.354 176.870 -0.303 0.000 0.964 299 L CA -0.339 54.416 54.840 -0.141 0.000 0.839 299 L CB 2.185 44.269 42.059 0.041 0.000 1.276 299 L HN 0.835 nan 8.230 nan 0.000 0.403 300 A N 4.861 127.329 122.820 -0.586 0.000 2.509 300 A HA 0.752 5.072 4.320 -0.000 0.000 0.282 300 A C -2.892 174.209 177.584 -0.805 0.000 1.054 300 A CA -1.061 50.650 52.037 -0.544 0.000 0.820 300 A CB 1.174 19.994 19.000 -0.299 0.000 1.333 300 A HN 0.353 nan 8.150 nan 0.000 0.409 301 P HA 0.248 nan 4.420 nan 0.000 0.274 301 P C -0.540 176.347 177.300 -0.688 0.000 1.291 301 P CA -0.020 62.402 63.100 -1.129 0.000 0.815 301 P CB 0.375 31.119 31.700 -1.593 0.000 0.897 302 L N 5.209 126.212 121.223 -0.366 0.000 2.260 302 L HA 0.394 4.734 4.340 -0.000 0.000 0.289 302 L C 0.848 177.774 176.870 0.094 0.000 1.057 302 L CA -0.023 54.708 54.840 -0.180 0.000 0.811 302 L CB -0.048 41.920 42.059 -0.151 0.000 1.184 302 L HN 0.625 nan 8.230 nan 0.000 0.429 303 C N 2.325 121.679 119.300 0.090 0.000 3.284 303 C HA 0.714 5.174 4.460 -0.000 0.000 0.348 303 C C -0.891 174.148 174.990 0.081 0.000 1.448 303 C CA -0.833 58.287 59.018 0.169 0.000 1.223 303 C CB 2.153 30.104 27.740 0.352 0.000 1.588 303 C HN 0.842 nan 8.230 nan 0.000 0.451 304 E N 0.658 120.906 120.200 0.080 0.000 2.256 304 E HA 0.381 4.731 4.350 -0.000 0.000 0.267 304 E C -1.369 175.263 176.600 0.053 0.000 0.892 304 E CA -0.421 56.018 56.400 0.066 0.000 0.775 304 E CB 1.992 31.756 29.700 0.107 0.000 1.207 304 E HN 0.635 nan 8.360 nan 0.000 0.420 305 N N 2.231 120.950 118.700 0.031 0.000 2.439 305 N HA 0.253 4.993 4.740 -0.000 0.000 0.249 305 N C -1.031 174.518 175.510 0.064 0.000 1.003 305 N CA -0.189 52.875 53.050 0.022 0.000 0.942 305 N CB 0.449 38.919 38.487 -0.028 0.000 1.115 305 N HN 0.206 nan 8.380 nan 0.000 0.505 306 M N 3.107 122.744 119.600 0.061 0.000 2.593 306 M HA 0.506 4.985 4.480 -0.000 0.000 0.290 306 M C -2.649 173.677 176.300 0.044 0.000 1.244 306 M CA -2.031 53.312 55.300 0.072 0.000 0.857 306 M CB 1.862 34.506 32.600 0.074 0.000 1.738 306 M HN 0.326 nan 8.290 nan 0.000 0.461 307 P HA 0.535 nan 4.420 nan 0.000 0.292 307 P C -1.184 176.130 177.300 0.023 0.000 1.283 307 P CA -0.210 62.906 63.100 0.028 0.000 0.835 307 P CB 1.594 33.311 31.700 0.028 0.000 1.017 308 S N 0.119 115.828 115.700 0.016 0.000 2.669 308 S HA 0.470 4.940 4.470 -0.000 0.000 0.266 308 S C 1.021 175.627 174.600 0.009 0.000 1.149 308 S CA -0.222 57.985 58.200 0.012 0.000 0.842 308 S CB 0.323 63.531 63.200 0.013 0.000 1.160 308 S HN 0.400 nan 8.310 nan 0.000 0.487 309 G N 0.364 109.169 108.800 0.007 0.000 2.598 309 G HA2 0.068 4.028 3.960 -0.000 0.000 0.215 309 G HA3 0.068 4.028 3.960 -0.000 0.000 0.215 309 G C 0.709 175.611 174.900 0.003 0.000 1.131 309 G CA 0.761 45.864 45.100 0.005 0.000 0.785 309 G HN 0.919 nan 8.290 nan 0.000 0.539 310 K N -0.712 119.690 120.400 0.003 0.000 2.619 310 K HA 0.664 4.984 4.320 -0.000 0.000 0.201 310 K C 0.464 177.064 176.600 0.000 0.000 1.090 310 K CA -0.347 55.940 56.287 0.000 0.000 1.063 310 K CB 0.921 33.419 32.500 -0.002 0.000 0.810 310 K HN 0.089 nan 8.250 nan 0.000 0.506 311 A N 1.465 124.287 122.820 0.004 0.000 2.386 311 A HA 0.126 4.445 4.320 -0.000 0.000 0.248 311 A C -0.328 177.258 177.584 0.003 0.000 1.082 311 A CA -0.413 51.627 52.037 0.005 0.000 0.789 311 A CB -0.006 19.000 19.000 0.010 0.000 1.025 311 A HN 0.539 nan 8.150 nan 0.000 0.490 312 N N 0.748 119.450 118.700 0.002 0.000 2.411 312 N HA 0.025 4.765 4.740 -0.000 0.000 0.265 312 N C -0.330 175.182 175.510 0.004 0.000 1.266 312 N CA 0.464 53.515 53.050 0.002 0.000 0.889 312 N CB 0.239 38.727 38.487 0.002 0.000 1.069 312 N HN 0.505 nan 8.380 nan 0.000 0.476 313 K N 4.064 124.467 120.400 0.005 0.000 2.118 313 K HA 0.312 4.632 4.320 -0.000 0.000 0.267 313 K C -2.266 174.339 176.600 0.008 0.000 0.991 313 K CA -1.667 54.624 56.287 0.006 0.000 0.916 313 K CB 0.983 33.487 32.500 0.006 0.000 1.041 313 K HN 0.412 nan 8.250 nan 0.000 0.455 314 P HA -0.135 nan 4.420 nan 0.000 0.260 314 P C 0.490 177.798 177.300 0.012 0.000 1.172 314 P CA 1.001 64.107 63.100 0.010 0.000 0.760 314 P CB 0.425 32.131 31.700 0.009 0.000 0.773 315 G N 2.224 111.034 108.800 0.016 0.000 2.179 315 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 315 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 315 G C -0.269 174.643 174.900 0.020 0.000 0.990 315 G CA -0.371 44.740 45.100 0.017 0.000 0.646 315 G HN 0.499 nan 8.290 nan 0.000 0.517 316 D N 0.803 121.216 120.400 0.021 0.000 2.312 316 D HA 0.489 5.129 4.640 -0.000 0.000 0.252 316 D C 0.472 176.791 176.300 0.032 0.000 1.150 316 D CA 0.007 54.020 54.000 0.022 0.000 0.870 316 D CB 1.812 42.622 40.800 0.017 0.000 1.153 316 D HN 0.141 nan 8.370 nan 0.000 0.457 317 V N 3.471 123.402 119.914 0.028 0.000 2.407 317 V HA 0.395 4.514 4.120 -0.000 0.000 0.278 317 V C 0.493 176.606 176.094 0.032 0.000 1.037 317 V CA -0.544 61.778 62.300 0.035 0.000 0.900 317 V CB 1.262 33.101 31.823 0.027 0.000 0.983 317 V HN 0.385 nan 8.190 nan 0.000 0.459 318 V N 2.755 122.696 119.914 0.044 0.000 3.074 318 V HA 0.708 4.828 4.120 -0.000 0.000 0.314 318 V C -0.445 175.676 176.094 0.045 0.000 1.117 318 V CA -1.223 61.099 62.300 0.036 0.000 1.014 318 V CB 2.135 33.979 31.823 0.035 0.000 1.057 318 V HN 0.801 nan 8.190 nan 0.000 0.438 319 R N 1.588 122.107 120.500 0.033 0.000 2.288 319 R HA 0.743 5.083 4.340 -0.000 0.000 0.326 319 R C -0.034 176.294 176.300 0.047 0.000 0.959 319 R CA -0.113 56.012 56.100 0.042 0.000 0.834 319 R CB 1.286 31.599 30.300 0.022 0.000 1.157 319 R HN 1.204 nan 8.270 nan 0.000 0.470 320 A N 3.558 126.427 122.820 0.083 0.000 2.407 320 A HA 0.110 4.430 4.320 -0.000 0.000 0.248 320 A C 1.298 178.931 177.584 0.081 0.000 1.082 320 A CA -0.267 51.814 52.037 0.072 0.000 0.785 320 A CB 0.480 19.545 19.000 0.108 0.000 1.020 320 A HN 1.082 nan 8.150 nan 0.000 0.489 321 R N 1.056 121.592 120.500 0.060 0.000 2.227 321 R HA -0.287 4.053 4.340 -0.000 0.000 0.259 321 R C 1.553 177.892 176.300 0.066 0.000 1.139 321 R CA 2.562 58.694 56.100 0.052 0.000 0.969 321 R CB -0.379 29.963 30.300 0.069 0.000 0.903 321 R HN 0.982 nan 8.270 nan 0.000 0.452 322 N N -0.685 118.082 118.700 0.113 0.000 2.571 322 N HA -0.018 4.721 4.740 -0.000 0.000 0.189 322 N C 1.099 176.642 175.510 0.054 0.000 1.154 322 N CA 1.459 54.565 53.050 0.093 0.000 0.907 322 N CB 0.234 38.804 38.487 0.138 0.000 0.977 322 N HN 0.519 nan 8.380 nan 0.000 0.449 323 G N -0.506 108.328 108.800 0.057 0.000 2.279 323 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.223 323 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.223 323 G C -0.108 174.811 174.900 0.031 0.000 1.015 323 G CA 0.076 45.192 45.100 0.028 0.000 0.621 323 G HN 0.483 nan 8.290 nan 0.000 0.506 324 K N 2.399 122.830 120.400 0.051 0.000 2.401 324 K HA 0.452 4.771 4.320 -0.000 0.000 0.278 324 K C 0.943 177.602 176.600 0.098 0.000 1.018 324 K CA 0.684 56.994 56.287 0.038 0.000 0.981 324 K CB 0.579 33.057 32.500 -0.038 0.000 0.933 324 K HN 0.442 nan 8.250 nan 0.000 0.477 325 T N -0.021 114.565 114.554 0.053 0.000 2.913 325 T HA 0.535 4.885 4.350 -0.000 0.000 0.287 325 T C 0.201 174.955 174.700 0.091 0.000 1.008 325 T CA -0.778 61.361 62.100 0.065 0.000 1.067 325 T CB 0.586 69.474 68.868 0.033 0.000 0.996 325 T HN 0.348 nan 8.240 nan 0.000 0.513 326 I N 1.658 122.298 120.570 0.117 0.000 2.468 326 I HA 0.269 4.439 4.170 -0.000 0.000 0.285 326 I C 0.106 176.298 176.117 0.126 0.000 1.039 326 I CA -0.815 60.584 61.300 0.165 0.000 1.074 326 I CB 2.091 40.260 38.000 0.281 0.000 1.228 326 I HN 0.699 nan 8.210 nan 0.000 0.436 327 Q N 5.058 124.922 119.800 0.107 0.000 2.271 327 Q HA 0.212 4.552 4.340 -0.000 0.000 0.273 327 Q C -0.862 175.195 176.000 0.096 0.000 1.051 327 Q CA -0.069 55.782 55.803 0.080 0.000 0.901 327 Q CB 1.104 29.877 28.738 0.058 0.000 1.174 327 Q HN 0.533 nan 8.270 nan 0.000 0.385 328 V N 5.876 125.829 119.914 0.065 0.000 2.184 328 V HA 0.027 4.146 4.120 -0.000 0.000 0.262 328 V C -0.048 176.062 176.094 0.026 0.000 1.209 328 V CA -0.191 62.136 62.300 0.045 0.000 1.070 328 V CB 0.669 32.511 31.823 0.032 0.000 1.244 328 V HN 0.819 nan 8.190 nan 0.000 0.477 329 D N 1.737 122.154 120.400 0.028 0.000 2.277 329 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 329 D C 0.852 177.158 176.300 0.009 0.000 0.962 329 D CA 1.022 55.034 54.000 0.020 0.000 0.865 329 D CB 0.221 41.036 40.800 0.025 0.000 0.939 329 D HN 0.474 nan 8.370 nan 0.000 0.510 330 N N -0.633 118.067 118.700 -0.001 0.000 2.549 330 N HA 0.040 4.779 4.740 -0.000 0.000 0.290 330 N C 0.091 175.586 175.510 -0.026 0.000 1.122 330 N CA 0.026 53.069 53.050 -0.012 0.000 0.885 330 N CB 1.335 39.813 38.487 -0.015 0.000 1.455 330 N HN -0.329 nan 8.380 nan 0.000 0.521 331 T N 1.002 115.545 114.554 -0.019 0.000 2.977 331 T HA -0.103 4.247 4.350 -0.000 0.000 0.271 331 T C 0.951 175.628 174.700 -0.038 0.000 1.105 331 T CA 0.972 63.058 62.100 -0.023 0.000 1.116 331 T CB 0.103 68.965 68.868 -0.010 0.000 0.878 331 T HN 0.449 nan 8.240 nan 0.000 0.509 332 D N 1.105 121.479 120.400 -0.044 0.000 2.289 332 D HA 0.135 4.775 4.640 -0.000 0.000 0.207 332 D C 1.069 177.320 176.300 -0.082 0.000 0.966 332 D CA 0.041 54.006 54.000 -0.059 0.000 0.868 332 D CB -0.071 40.700 40.800 -0.048 0.000 0.943 332 D HN 0.335 nan 8.370 nan 0.000 0.514 333 A N 1.491 124.256 122.820 -0.091 0.000 2.990 333 A HA 0.150 4.470 4.320 -0.000 0.000 0.282 333 A C 1.066 178.548 177.584 -0.170 0.000 1.688 333 A CA -0.107 51.846 52.037 -0.140 0.000 1.391 333 A CB -0.244 18.667 19.000 -0.149 0.000 1.112 333 A HN 0.159 nan 8.150 nan 0.000 0.588 334 E N 1.664 121.776 120.200 -0.147 0.000 2.485 334 E HA 0.050 4.400 4.350 -0.000 0.000 0.213 334 E C 1.302 177.820 176.600 -0.136 0.000 0.923 334 E CA 0.921 57.246 56.400 -0.125 0.000 1.054 334 E CB -0.804 28.848 29.700 -0.079 0.000 1.077 334 E HN 0.412 nan 8.360 nan 0.000 0.509 335 G N 2.554 111.260 108.800 -0.156 0.000 2.402 335 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 335 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 335 G C 1.662 176.444 174.900 -0.198 0.000 1.162 335 G CA 0.741 45.746 45.100 -0.157 0.000 0.777 335 G HN 0.129 nan 8.290 nan 0.000 0.539 336 R N 0.488 120.810 120.500 -0.297 0.000 2.133 336 R HA -0.082 4.258 4.340 -0.000 0.000 0.247 336 R C 2.437 178.545 176.300 -0.321 0.000 1.151 336 R CA 1.060 56.876 56.100 -0.473 0.000 0.971 336 R CB -1.108 28.544 30.300 -1.080 0.000 0.866 336 R HN 0.438 nan 8.270 nan 0.000 0.447 337 L N -0.145 120.942 121.223 -0.227 0.000 2.127 337 L HA 0.061 4.401 4.340 -0.000 0.000 0.203 337 L C 2.523 179.356 176.870 -0.062 0.000 1.080 337 L CA 0.372 55.152 54.840 -0.101 0.000 0.768 337 L CB -0.370 41.664 42.059 -0.042 0.000 0.924 337 L HN -0.039 nan 8.230 nan 0.000 0.444 338 I N -0.155 120.385 120.570 -0.051 0.000 2.264 338 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 338 I C 2.145 178.189 176.117 -0.123 0.000 1.111 338 I CA 1.457 62.725 61.300 -0.054 0.000 1.382 338 I CB 0.095 38.027 38.000 -0.114 0.000 1.060 338 I HN 0.168 nan 8.210 nan 0.000 0.418 339 L N -0.660 120.486 121.223 -0.129 0.000 2.375 339 L HA 0.035 4.375 4.340 -0.000 0.000 0.215 339 L C 2.595 179.402 176.870 -0.105 0.000 1.108 339 L CA 0.724 55.502 54.840 -0.103 0.000 0.830 339 L CB -0.667 41.338 42.059 -0.091 0.000 0.959 339 L HN 0.217 nan 8.230 nan 0.000 0.457 340 A N 0.369 123.040 122.820 -0.248 0.000 1.948 340 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 340 A C 1.847 179.254 177.584 -0.294 0.000 1.177 340 A CA 2.099 53.734 52.037 -0.671 0.000 0.636 340 A CB -0.319 17.908 19.000 -1.289 0.000 0.815 340 A HN 0.345 nan 8.150 nan 0.000 0.449 341 D N -0.490 119.852 120.400 -0.097 0.000 2.149 341 D HA 0.112 4.751 4.640 -0.000 0.000 0.206 341 D C 2.219 178.650 176.300 0.218 0.000 0.967 341 D CA 1.383 55.433 54.000 0.083 0.000 0.848 341 D CB -0.532 40.356 40.800 0.146 0.000 0.998 341 D HN 0.383 nan 8.370 nan 0.000 0.474 342 A N 0.725 123.681 122.820 0.228 0.000 2.067 342 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 342 A C 2.293 180.051 177.584 0.291 0.000 1.158 342 A CA 0.601 52.861 52.037 0.372 0.000 0.661 342 A CB -0.609 18.473 19.000 0.136 0.000 0.801 342 A HN 0.171 nan 8.150 nan 0.000 0.452 343 L N -1.361 119.964 121.223 0.170 0.000 2.056 343 L HA -0.199 4.140 4.340 -0.000 0.000 0.207 343 L C 2.766 179.763 176.870 0.211 0.000 1.078 343 L CA 1.282 56.200 54.840 0.130 0.000 0.749 343 L CB -0.565 41.550 42.059 0.092 0.000 0.901 343 L HN 0.627 nan 8.230 nan 0.000 0.433 344 C N -0.941 118.538 119.300 0.298 0.000 2.446 344 C HA -0.228 4.232 4.460 -0.000 0.000 0.277 344 C C 2.811 178.044 174.990 0.405 0.000 1.275 344 C CA 0.450 59.692 59.018 0.374 0.000 1.727 344 C CB -0.631 27.274 27.740 0.275 0.000 2.010 344 C HN 0.578 nan 8.230 nan 0.000 0.486 345 Y N 1.818 122.268 120.300 0.249 0.000 2.293 345 Y HA 0.040 4.590 4.550 -0.000 0.000 0.291 345 Y C 2.388 178.518 175.900 0.383 0.000 1.137 345 Y CA 1.390 59.666 58.100 0.294 0.000 1.202 345 Y CB -0.660 38.011 38.460 0.351 0.000 0.990 345 Y HN 0.339 nan 8.280 nan 0.000 0.537 346 A N -0.488 122.536 122.820 0.339 0.000 1.986 346 A HA -0.278 4.041 4.320 -0.000 0.000 0.220 346 A C 1.716 179.359 177.584 0.099 0.000 1.171 346 A CA 2.186 54.329 52.037 0.177 0.000 0.640 346 A CB -1.157 17.797 19.000 -0.077 0.000 0.811 346 A HN 0.725 nan 8.150 nan 0.000 0.451 347 H N -1.462 117.710 119.070 0.171 0.000 2.495 347 H HA -0.012 4.544 4.556 -0.000 0.000 0.287 347 H C 2.178 177.528 175.328 0.036 0.000 1.033 347 H CA 1.360 57.474 56.048 0.110 0.000 1.307 347 H CB -0.146 29.674 29.762 0.096 0.000 1.401 347 H HN 0.411 nan 8.280 nan 0.000 0.555 348 T N 0.262 114.820 114.554 0.006 0.000 2.759 348 T HA -0.159 4.190 4.350 -0.000 0.000 0.269 348 T C 1.035 175.491 174.700 -0.408 0.000 1.042 348 T CA 1.120 63.052 62.100 -0.281 0.000 1.140 348 T CB -0.330 68.195 68.868 -0.573 0.000 0.864 348 T HN 0.285 nan 8.240 nan 0.000 0.455 349 F N 1.666 121.561 119.950 -0.090 0.000 2.771 349 F HA 0.177 4.704 4.527 -0.000 0.000 0.299 349 F C 1.246 177.054 175.800 0.015 0.000 1.177 349 F CA -0.117 57.860 58.000 -0.038 0.000 1.450 349 F CB -0.956 38.029 39.000 -0.025 0.000 1.114 349 F HN 0.124 nan 8.300 nan 0.000 0.587 350 N N 0.935 119.705 118.700 0.117 0.000 2.686 350 N HA -0.161 4.579 4.740 -0.000 0.000 0.261 350 N C -2.389 173.226 175.510 0.174 0.000 1.001 350 N CA -0.001 53.137 53.050 0.147 0.000 0.764 350 N CB -0.772 37.777 38.487 0.103 0.000 0.898 350 N HN 0.195 nan 8.380 nan 0.000 0.544 351 P HA 0.008 nan 4.420 nan 0.000 0.274 351 P C 0.327 177.732 177.300 0.174 0.000 1.264 351 P CA 0.118 63.275 63.100 0.095 0.000 0.795 351 P CB 0.798 32.472 31.700 -0.042 0.000 1.064 352 K N -1.056 119.455 120.400 0.185 0.000 2.367 352 K HA 0.244 4.564 4.320 -0.000 0.000 0.198 352 K C -0.093 176.745 176.600 0.397 0.000 1.132 352 K CA 0.370 56.850 56.287 0.322 0.000 0.941 352 K CB 0.528 33.227 32.500 0.332 0.000 1.052 352 K HN 0.142 nan 8.250 nan 0.000 0.507 353 V N 1.987 122.043 119.914 0.236 0.000 2.686 353 V HA 0.377 4.496 4.120 -0.000 0.000 0.306 353 V C -1.114 175.045 176.094 0.108 0.000 1.065 353 V CA -0.709 61.754 62.300 0.271 0.000 0.894 353 V CB 2.115 34.128 31.823 0.316 0.000 1.004 353 V HN 0.096 nan 8.190 nan 0.000 0.424 354 I N 5.756 126.380 120.570 0.089 0.000 2.428 354 I HA 0.426 4.596 4.170 -0.000 0.000 0.279 354 I C -0.462 175.723 176.117 0.112 0.000 1.040 354 I CA -0.180 61.165 61.300 0.076 0.000 1.171 354 I CB 1.075 39.099 38.000 0.041 0.000 1.312 354 I HN 0.435 nan 8.210 nan 0.000 0.470 355 I N 5.907 126.426 120.570 -0.085 0.000 2.308 355 I HA 0.105 4.275 4.170 -0.000 0.000 0.293 355 I C 0.270 176.223 176.117 -0.273 0.000 1.078 355 I CA -0.289 60.815 61.300 -0.327 0.000 1.292 355 I CB 0.393 37.894 38.000 -0.832 0.000 1.423 355 I HN 0.624 nan 8.210 nan 0.000 0.493 356 N N 5.856 124.529 118.700 -0.045 0.000 2.492 356 N HA 0.755 5.494 4.740 -0.000 0.000 0.289 356 N C -0.959 174.544 175.510 -0.011 0.000 1.133 356 N CA -0.577 52.482 53.050 0.015 0.000 0.961 356 N CB 1.799 40.397 38.487 0.185 0.000 1.186 356 N HN 0.579 nan 8.380 nan 0.000 0.493 357 A N 0.396 123.207 122.820 -0.015 0.000 2.486 357 A HA 0.915 5.234 4.320 -0.000 0.000 0.300 357 A C -1.296 176.298 177.584 0.017 0.000 1.048 357 A CA -0.398 51.640 52.037 0.001 0.000 0.696 357 A CB 1.338 20.302 19.000 -0.060 0.000 1.278 357 A HN 1.194 nan 8.150 nan 0.000 0.405 358 A N 0.373 123.222 122.820 0.048 0.000 2.605 358 A HA 0.710 5.030 4.320 -0.000 0.000 0.294 358 A C -0.197 177.398 177.584 0.018 0.000 1.062 358 A CA 0.169 52.217 52.037 0.018 0.000 0.682 358 A CB 0.562 19.579 19.000 0.029 0.000 1.278 358 A HN 1.870 nan 8.150 nan 0.000 0.410 359 T N 1.206 115.745 114.554 -0.025 0.000 4.098 359 T HA 0.390 4.739 4.350 -0.000 0.000 0.291 359 T C 1.046 175.728 174.700 -0.030 0.000 1.440 359 T CA -0.220 61.862 62.100 -0.031 0.000 1.164 359 T CB -0.770 68.064 68.868 -0.056 0.000 1.313 359 T HN 0.474 nan 8.240 nan 0.000 0.951 360 L N 1.604 122.833 121.223 0.010 0.000 2.007 360 L HA 0.112 4.452 4.340 -0.000 0.000 0.205 360 L C 1.635 178.489 176.870 -0.026 0.000 1.073 360 L CA 0.931 55.768 54.840 -0.006 0.000 0.744 360 L CB -0.288 41.803 42.059 0.054 0.000 0.898 360 L HN 0.662 nan 8.230 nan 0.000 0.435 361 T N -4.092 110.460 114.554 -0.004 0.000 2.829 361 T HA 0.425 4.775 4.350 -0.000 0.000 0.280 361 T C 0.824 175.516 174.700 -0.013 0.000 0.999 361 T CA -0.253 61.840 62.100 -0.012 0.000 0.983 361 T CB 1.854 70.725 68.868 0.004 0.000 0.968 361 T HN 0.212 nan 8.240 nan 0.000 0.446 362 G N 1.042 109.831 108.800 -0.019 0.000 2.443 362 G HA2 0.063 4.023 3.960 -0.000 0.000 0.219 362 G HA3 0.063 4.023 3.960 -0.000 0.000 0.219 362 G C 1.614 176.509 174.900 -0.010 0.000 1.131 362 G CA 0.531 45.620 45.100 -0.017 0.000 0.775 362 G HN 1.097 nan 8.290 nan 0.000 0.547 363 A N 0.485 123.305 122.820 -0.001 0.000 1.978 363 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 363 A C 2.243 179.829 177.584 0.004 0.000 1.170 363 A CA 2.197 54.238 52.037 0.006 0.000 0.636 363 A CB -0.319 18.692 19.000 0.019 0.000 0.810 363 A HN 0.416 nan 8.150 nan 0.000 0.448 364 M N 0.228 119.833 119.600 0.008 0.000 2.175 364 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 364 M C 1.443 177.727 176.300 -0.025 0.000 1.063 364 M CA 2.318 57.620 55.300 0.002 0.000 1.119 364 M CB -0.661 31.948 32.600 0.014 0.000 1.377 364 M HN 0.447 nan 8.290 nan 0.000 0.415 365 D N -0.438 119.948 120.400 -0.023 0.000 2.144 365 D HA -0.122 4.517 4.640 -0.000 0.000 0.200 365 D C 1.714 177.991 176.300 -0.038 0.000 0.978 365 D CA 1.197 55.178 54.000 -0.032 0.000 0.833 365 D CB 0.042 40.827 40.800 -0.026 0.000 0.961 365 D HN 0.355 nan 8.370 nan 0.000 0.470 366 I N 0.941 121.493 120.570 -0.029 0.000 2.493 366 I HA -0.068 4.101 4.170 -0.000 0.000 0.254 366 I C 2.270 178.359 176.117 -0.047 0.000 1.160 366 I CA 0.635 61.916 61.300 -0.032 0.000 1.445 366 I CB -1.661 36.329 38.000 -0.017 0.000 1.086 366 I HN 0.060 nan 8.210 nan 0.000 0.433 367 A N 0.970 123.759 122.820 -0.052 0.000 1.822 367 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 367 A C 2.100 179.609 177.584 -0.125 0.000 1.245 367 A CA 1.479 53.471 52.037 -0.076 0.000 0.608 367 A CB -0.796 18.165 19.000 -0.064 0.000 0.896 367 A HN 0.277 nan 8.150 nan 0.000 0.457 368 L N -1.433 119.705 121.223 -0.143 0.000 2.362 368 L HA 0.338 4.678 4.340 -0.000 0.000 0.204 368 L C 1.479 178.263 176.870 -0.143 0.000 1.060 368 L CA 1.122 55.842 54.840 -0.200 0.000 0.827 368 L CB -1.264 40.663 42.059 -0.220 0.000 1.027 368 L HN 0.810 nan 8.230 nan 0.000 0.474 369 G N 0.923 109.665 108.800 -0.096 0.000 2.392 369 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.256 369 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.256 369 G C 0.777 175.638 174.900 -0.066 0.000 0.920 369 G CA 1.133 46.190 45.100 -0.071 0.000 1.316 369 G HN 0.964 nan 8.290 nan 0.000 0.416 370 S N -2.217 113.452 115.700 -0.050 0.000 3.146 370 S HA -0.241 4.229 4.470 -0.000 0.000 0.285 370 S C 2.551 177.129 174.600 -0.036 0.000 1.293 370 S CA 2.238 60.416 58.200 -0.037 0.000 1.137 370 S CB -1.443 61.736 63.200 -0.035 0.000 1.357 370 S HN 2.438 nan 8.310 nan 0.000 0.678 371 G N 1.220 109.982 108.800 -0.063 0.000 2.508 371 G HA2 0.555 4.515 3.960 -0.000 0.000 0.212 371 G HA3 0.555 4.515 3.960 -0.000 0.000 0.212 371 G C 0.447 175.336 174.900 -0.018 0.000 1.206 371 G CA 0.624 45.680 45.100 -0.073 0.000 0.822 371 G HN 1.748 nan 8.290 nan 0.000 0.550 372 A N -0.579 122.228 122.820 -0.022 0.000 2.423 372 A HA 0.657 4.976 4.320 -0.000 0.000 0.304 372 A C -0.118 177.496 177.584 0.050 0.000 1.104 372 A CA 0.083 52.165 52.037 0.075 0.000 0.757 372 A CB 1.253 20.368 19.000 0.190 0.000 1.313 372 A HN 0.629 nan 8.150 nan 0.000 0.423 373 T N 0.407 115.008 114.554 0.079 0.000 2.727 373 T HA 0.531 4.881 4.350 -0.000 0.000 0.298 373 T C 0.591 175.316 174.700 0.042 0.000 0.942 373 T CA 0.257 62.378 62.100 0.034 0.000 0.997 373 T CB 0.061 68.943 68.868 0.023 0.000 0.917 373 T HN 1.403 nan 8.240 nan 0.000 0.487 374 G N 2.469 111.260 108.800 -0.015 0.000 2.340 374 G HA2 0.447 4.407 3.960 -0.000 0.000 0.245 374 G HA3 0.447 4.407 3.960 -0.000 0.000 0.245 374 G C -0.256 174.547 174.900 -0.161 0.000 1.294 374 G CA -0.206 44.836 45.100 -0.097 0.000 0.896 374 G HN 1.394 nan 8.290 nan 0.000 0.522 375 V N 3.563 123.322 119.914 -0.259 0.000 2.569 375 V HA 0.749 4.869 4.120 -0.000 0.000 0.301 375 V C -1.268 174.597 176.094 -0.383 0.000 1.044 375 V CA -1.274 60.901 62.300 -0.208 0.000 0.874 375 V CB 0.959 32.772 31.823 -0.017 0.000 1.002 375 V HN 0.477 nan 8.190 nan 0.000 0.424 376 F N 3.772 123.521 119.950 -0.336 0.000 2.425 376 F HA 0.873 5.399 4.527 -0.000 0.000 0.331 376 F C 0.648 176.235 175.800 -0.355 0.000 1.085 376 F CA -0.374 57.433 58.000 -0.322 0.000 1.028 376 F CB 2.025 40.872 39.000 -0.255 0.000 1.177 376 F HN 0.673 nan 8.300 nan 0.000 0.487 377 T N 1.107 115.589 114.554 -0.119 0.000 3.393 377 T HA 0.177 4.527 4.350 -0.000 0.000 0.359 377 T C -0.190 174.541 174.700 0.053 0.000 1.380 377 T CA -0.988 61.052 62.100 -0.101 0.000 1.132 377 T CB 0.445 69.289 68.868 -0.040 0.000 1.284 377 T HN 0.658 nan 8.240 nan 0.000 0.477 378 N N 2.858 121.659 118.700 0.170 0.000 2.535 378 N HA 0.113 4.853 4.740 -0.000 0.000 0.203 378 N C -0.130 175.513 175.510 0.221 0.000 1.301 378 N CA -0.057 53.132 53.050 0.232 0.000 0.859 378 N CB 0.189 38.876 38.487 0.332 0.000 1.055 378 N HN 0.351 nan 8.380 nan 0.000 0.457 379 S N -1.154 114.672 115.700 0.211 0.000 2.737 379 S HA 0.330 4.800 4.470 -0.000 0.000 0.269 379 S C 0.210 174.969 174.600 0.266 0.000 1.150 379 S CA -0.684 57.677 58.200 0.268 0.000 1.077 379 S CB 0.600 63.999 63.200 0.332 0.000 1.075 379 S HN 0.170 nan 8.310 nan 0.000 0.476 380 S N 3.233 119.090 115.700 0.262 0.000 2.402 380 S HA -0.048 4.422 4.470 -0.000 0.000 0.229 380 S C 1.278 176.040 174.600 0.270 0.000 1.021 380 S CA 0.886 59.244 58.200 0.264 0.000 0.974 380 S CB -0.303 63.023 63.200 0.211 0.000 0.800 380 S HN 0.903 nan 8.310 nan 0.000 0.484 381 W N 2.267 123.654 121.300 0.144 0.000 2.354 381 W HA -0.025 4.634 4.660 -0.000 0.000 0.315 381 W C 1.792 178.394 176.519 0.137 0.000 1.206 381 W CA 0.983 58.408 57.345 0.133 0.000 1.290 381 W CB -0.572 28.973 29.460 0.142 0.000 1.152 381 W HN 0.168 nan 8.180 nan 0.000 0.489 382 L N 0.142 121.499 121.223 0.224 0.000 2.046 382 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 382 L C 2.510 179.308 176.870 -0.119 0.000 1.077 382 L CA 1.888 56.732 54.840 0.007 0.000 0.747 382 L CB -1.055 41.114 42.059 0.183 0.000 0.896 382 L HN 0.377 nan 8.230 nan 0.000 0.432 383 W N 0.924 122.160 121.300 -0.106 0.000 2.335 383 W HA -0.283 4.377 4.660 -0.000 0.000 0.311 383 W C 2.206 178.660 176.519 -0.107 0.000 1.213 383 W CA 1.461 58.725 57.345 -0.135 0.000 1.274 383 W CB -0.403 28.972 29.460 -0.142 0.000 1.148 383 W HN 0.260 nan 8.180 nan 0.000 0.498 384 N N 1.126 119.536 118.700 -0.483 0.000 2.137 384 N HA -0.214 4.525 4.740 -0.000 0.000 0.190 384 N C 1.510 176.752 175.510 -0.447 0.000 1.017 384 N CA 2.006 54.744 53.050 -0.519 0.000 0.859 384 N CB -0.270 38.056 38.487 -0.268 0.000 1.002 384 N HN 0.115 nan 8.380 nan 0.000 0.428 385 K N 0.570 120.703 120.400 -0.446 0.000 2.025 385 K HA 0.025 4.345 4.320 -0.000 0.000 0.207 385 K C 1.894 178.355 176.600 -0.232 0.000 1.049 385 K CA 0.476 56.586 56.287 -0.295 0.000 0.933 385 K CB -0.400 31.893 32.500 -0.345 0.000 0.714 385 K HN 0.041 nan 8.250 nan 0.000 0.438 386 L N -0.222 120.759 121.223 -0.403 0.000 2.027 386 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 386 L C 2.149 178.821 176.870 -0.329 0.000 1.074 386 L CA 1.494 56.122 54.840 -0.353 0.000 0.745 386 L CB -1.120 40.741 42.059 -0.329 0.000 0.898 386 L HN 0.128 nan 8.230 nan 0.000 0.433 387 F N 1.256 120.731 119.950 -0.791 0.000 2.126 387 F HA -0.232 4.295 4.527 -0.000 0.000 0.299 387 F C 2.453 178.035 175.800 -0.363 0.000 1.096 387 F CA 1.738 59.280 58.000 -0.764 0.000 1.255 387 F CB -0.122 38.009 39.000 -1.448 0.000 0.997 387 F HN 0.190 nan 8.300 nan 0.000 0.479 388 E N -0.054 119.867 120.200 -0.465 0.000 2.072 388 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 388 E C 2.375 178.826 176.600 -0.248 0.000 0.985 388 E CA 1.047 57.228 56.400 -0.365 0.000 0.801 388 E CB -0.437 29.161 29.700 -0.171 0.000 0.750 388 E HN 0.468 nan 8.360 nan 0.000 0.452 389 A N 1.100 123.834 122.820 -0.143 0.000 1.940 389 A HA -0.245 4.074 4.320 -0.000 0.000 0.219 389 A C 2.288 179.828 177.584 -0.073 0.000 1.176 389 A CA 2.063 54.079 52.037 -0.034 0.000 0.631 389 A CB -0.739 18.309 19.000 0.081 0.000 0.814 389 A HN 0.355 nan 8.150 nan 0.000 0.446 390 S N -0.396 115.207 115.700 -0.161 0.000 2.428 390 S HA -0.063 4.407 4.470 -0.000 0.000 0.230 390 S C 1.789 176.331 174.600 -0.097 0.000 1.014 390 S CA 1.039 59.178 58.200 -0.102 0.000 0.957 390 S CB -0.470 62.676 63.200 -0.092 0.000 0.784 390 S HN 0.355 nan 8.310 nan 0.000 0.499 391 I N 2.237 122.649 120.570 -0.264 0.000 2.179 391 I HA -0.104 4.066 4.170 -0.000 0.000 0.242 391 I C 2.855 178.973 176.117 0.001 0.000 1.088 391 I CA 1.832 63.042 61.300 -0.149 0.000 1.357 391 I CB -1.469 36.379 38.000 -0.253 0.000 1.051 391 I HN 0.427 nan 8.210 nan 0.000 0.409 392 E N 1.564 121.737 120.200 -0.044 0.000 2.031 392 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 392 E C 2.167 178.729 176.600 -0.063 0.000 0.994 392 E CA 2.694 59.067 56.400 -0.044 0.000 0.800 392 E CB -0.325 29.334 29.700 -0.068 0.000 0.752 392 E HN 0.531 nan 8.360 nan 0.000 0.447 393 T N -3.673 110.861 114.554 -0.034 0.000 2.985 393 T HA 0.155 4.505 4.350 -0.000 0.000 0.266 393 T C 1.761 176.474 174.700 0.022 0.000 1.076 393 T CA 1.174 63.261 62.100 -0.021 0.000 1.135 393 T CB -0.269 68.626 68.868 0.045 0.000 0.890 393 T HN 0.467 nan 8.240 nan 0.000 0.480 394 G N 1.052 109.909 108.800 0.095 0.000 2.217 394 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.246 394 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.246 394 G C -0.009 175.076 174.900 0.309 0.000 0.990 394 G CA 0.155 45.392 45.100 0.227 0.000 0.627 394 G HN 0.624 nan 8.290 nan 0.000 0.522 395 D N 1.618 122.135 120.400 0.195 0.000 2.470 395 D HA 0.394 5.034 4.640 -0.000 0.000 0.226 395 D C 1.172 177.566 176.300 0.156 0.000 1.196 395 D CA -0.332 53.772 54.000 0.173 0.000 0.979 395 D CB 0.156 41.031 40.800 0.125 0.000 1.059 395 D HN 0.299 nan 8.370 nan 0.000 0.515 396 R N 0.336 120.957 120.500 0.201 0.000 2.817 396 R HA 0.221 4.561 4.340 -0.000 0.000 0.264 396 R C -0.214 176.213 176.300 0.211 0.000 1.009 396 R CA 0.116 56.343 56.100 0.210 0.000 1.133 396 R CB 0.683 31.116 30.300 0.222 0.000 1.013 396 R HN 0.109 nan 8.270 nan 0.000 0.453 397 V N 2.921 123.026 119.914 0.320 0.000 2.760 397 V HA 0.433 4.552 4.120 -0.000 0.000 0.309 397 V C -1.601 174.854 176.094 0.602 0.000 1.077 397 V CA -0.655 61.866 62.300 0.368 0.000 0.910 397 V CB 1.805 33.787 31.823 0.264 0.000 1.008 397 V HN 0.720 nan 8.190 nan 0.000 0.424 398 W N 7.180 128.557 121.300 0.127 0.000 2.538 398 W HA 0.543 5.202 4.660 -0.000 0.000 0.322 398 W C -0.028 176.207 176.519 -0.472 0.000 1.028 398 W CA -0.808 56.484 57.345 -0.089 0.000 1.228 398 W CB 1.901 31.270 29.460 -0.152 0.000 1.356 398 W HN 0.609 nan 8.180 nan 0.000 0.452 399 R N 4.344 124.000 120.500 -1.408 0.000 2.679 399 R HA 0.197 4.536 4.340 -0.000 0.000 0.268 399 R C -0.083 175.674 176.300 -0.905 0.000 1.044 399 R CA 0.648 55.914 56.100 -1.391 0.000 1.105 399 R CB 0.575 29.724 30.300 -1.917 0.000 0.989 399 R HN 0.362 nan 8.270 nan 0.000 0.447 400 M N 4.304 123.348 119.600 -0.926 0.000 2.550 400 M HA 0.393 4.873 4.480 -0.000 0.000 0.292 400 M C -2.450 173.279 176.300 -0.952 0.000 1.221 400 M CA -2.452 52.221 55.300 -1.044 0.000 0.873 400 M CB 2.074 33.614 32.600 -1.768 0.000 1.727 400 M HN 0.508 nan 8.290 nan 0.000 0.459 401 P HA 0.323 nan 4.420 nan 0.000 0.285 401 P C -0.997 176.219 177.300 -0.139 0.000 1.259 401 P CA -0.445 62.270 63.100 -0.641 0.000 0.794 401 P CB 1.292 32.395 31.700 -0.995 0.000 0.940 402 L N 4.664 125.824 121.223 -0.104 0.000 2.502 402 L HA 0.434 4.774 4.340 -0.000 0.000 0.247 402 L C -1.290 175.803 176.870 0.372 0.000 1.180 402 L CA -0.462 54.521 54.840 0.239 0.000 0.956 402 L CB -0.511 41.691 42.059 0.238 0.000 1.282 402 L HN 0.091 nan 8.230 nan 0.000 0.470 403 F N 0.664 120.904 119.950 0.483 0.000 2.458 403 F HA 0.394 4.920 4.527 -0.000 0.000 0.330 403 F C 1.595 177.530 175.800 0.224 0.000 1.082 403 F CA -0.923 57.243 58.000 0.278 0.000 0.995 403 F CB 1.271 40.349 39.000 0.130 0.000 1.170 403 F HN 0.340 nan 8.300 nan 0.000 0.478 404 E N 1.670 122.050 120.200 0.299 0.000 2.114 404 E HA -0.346 4.004 4.350 -0.000 0.000 0.199 404 E C 1.887 178.563 176.600 0.127 0.000 1.008 404 E CA 2.108 58.609 56.400 0.169 0.000 0.810 404 E CB -0.513 29.240 29.700 0.088 0.000 0.739 404 E HN 0.878 nan 8.360 nan 0.000 0.456 405 H N -0.746 118.298 119.070 -0.043 0.000 2.312 405 H HA -0.260 4.296 4.556 -0.000 0.000 0.285 405 H C 1.843 177.103 175.328 -0.113 0.000 1.120 405 H CA 3.028 58.972 56.048 -0.173 0.000 1.179 405 H CB -0.534 28.974 29.762 -0.424 0.000 1.349 405 H HN 0.283 nan 8.280 nan 0.000 0.473 406 Y N -0.547 119.935 120.300 0.304 0.000 2.220 406 Y HA -0.100 4.450 4.550 -0.000 0.000 0.291 406 Y C 3.024 178.985 175.900 0.101 0.000 1.129 406 Y CA 1.351 59.581 58.100 0.216 0.000 1.161 406 Y CB -0.876 37.745 38.460 0.268 0.000 0.997 406 Y HN 0.235 nan 8.280 nan 0.000 0.522 407 T N 0.342 115.043 114.554 0.244 0.000 2.665 407 T HA -0.275 4.074 4.350 -0.000 0.000 0.268 407 T C 2.010 176.735 174.700 0.040 0.000 1.035 407 T CA 1.758 63.930 62.100 0.121 0.000 1.151 407 T CB -0.354 68.569 68.868 0.092 0.000 0.862 407 T HN 0.242 nan 8.240 nan 0.000 0.438 408 R N 0.781 121.287 120.500 0.010 0.000 2.134 408 R HA -0.213 4.126 4.340 -0.000 0.000 0.248 408 R C 2.576 178.836 176.300 -0.067 0.000 1.143 408 R CA 1.942 58.015 56.100 -0.044 0.000 0.957 408 R CB -0.228 30.021 30.300 -0.084 0.000 0.867 408 R HN 0.554 nan 8.270 nan 0.000 0.441 409 Q N -0.874 118.883 119.800 -0.072 0.000 2.167 409 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 409 Q C 2.101 178.054 176.000 -0.077 0.000 0.970 409 Q CA 1.265 56.989 55.803 -0.132 0.000 0.855 409 Q CB 0.153 28.802 28.738 -0.149 0.000 0.911 409 Q HN 0.213 nan 8.270 nan 0.000 0.438 410 V N 0.562 120.475 119.914 -0.001 0.000 2.488 410 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 410 V C 1.951 178.039 176.094 -0.010 0.000 1.046 410 V CA 0.869 63.194 62.300 0.041 0.000 1.053 410 V CB -0.093 31.797 31.823 0.111 0.000 0.679 410 V HN 0.376 nan 8.190 nan 0.000 0.458 411 I N 0.675 121.220 120.570 -0.042 0.000 2.439 411 I HA -0.064 4.106 4.170 -0.000 0.000 0.251 411 I C 0.947 177.029 176.117 -0.058 0.000 1.139 411 I CA 0.973 62.232 61.300 -0.068 0.000 1.438 411 I CB -0.780 37.178 38.000 -0.069 0.000 1.085 411 I HN 0.528 nan 8.210 nan 0.000 0.427 412 D N 0.760 121.127 120.400 -0.054 0.000 2.348 412 D HA 0.040 4.680 4.640 -0.000 0.000 0.253 412 D C -0.465 175.813 176.300 -0.037 0.000 1.161 412 D CA -0.037 53.934 54.000 -0.048 0.000 0.876 412 D CB 1.826 42.594 40.800 -0.054 0.000 1.160 412 D HN 0.005 nan 8.370 nan 0.000 0.459 413 C N 2.736 122.020 119.300 -0.028 0.000 2.871 413 C HA 0.044 4.503 4.460 -0.000 0.000 0.378 413 C C 1.102 176.086 174.990 -0.010 0.000 1.052 413 C CA -0.449 58.560 59.018 -0.014 0.000 1.250 413 C CB 1.385 29.119 27.740 -0.010 0.000 1.689 413 C HN 0.819 nan 8.230 nan 0.000 0.506 414 Q N 2.223 122.021 119.800 -0.004 0.000 1.927 414 Q HA -0.142 4.198 4.340 -0.000 0.000 0.210 414 Q C 1.472 177.472 176.000 -0.000 0.000 1.001 414 Q CA 2.370 58.173 55.803 -0.001 0.000 0.862 414 Q CB -0.178 28.562 28.738 0.004 0.000 0.934 414 Q HN 0.777 nan 8.270 nan 0.000 0.420 415 L N -0.888 120.338 121.223 0.005 0.000 2.095 415 L HA 0.248 4.588 4.340 -0.000 0.000 0.204 415 L C 0.878 177.750 176.870 0.003 0.000 1.080 415 L CA 1.407 56.250 54.840 0.006 0.000 0.759 415 L CB -1.084 40.982 42.059 0.012 0.000 0.914 415 L HN 0.306 nan 8.230 nan 0.000 0.439 416 A N -1.979 120.844 122.820 0.005 0.000 2.548 416 A HA 0.437 4.756 4.320 -0.000 0.000 0.262 416 A C 0.644 178.219 177.584 -0.015 0.000 1.271 416 A CA -0.300 51.738 52.037 0.002 0.000 0.839 416 A CB 0.177 19.190 19.000 0.021 0.000 1.381 416 A HN 0.075 nan 8.150 nan 0.000 0.468 417 D N -1.058 119.327 120.400 -0.024 0.000 2.137 417 D HA 0.146 4.785 4.640 -0.000 0.000 0.202 417 D C 0.249 176.495 176.300 -0.091 0.000 0.970 417 D CA 1.621 55.584 54.000 -0.061 0.000 0.837 417 D CB 0.204 40.961 40.800 -0.072 0.000 0.981 417 D HN 0.197 nan 8.370 nan 0.000 0.475 418 V N 0.525 120.396 119.914 -0.072 0.000 3.007 418 V HA 0.306 4.426 4.120 -0.000 0.000 0.311 418 V C -0.301 175.819 176.094 0.042 0.000 1.120 418 V CA -1.127 61.105 62.300 -0.113 0.000 0.980 418 V CB 2.673 34.280 31.823 -0.360 0.000 1.033 418 V HN -0.036 nan 8.190 nan 0.000 0.429 419 N N 2.072 120.840 118.700 0.113 0.000 2.362 419 N HA 0.213 4.953 4.740 -0.000 0.000 0.298 419 N C 0.723 176.484 175.510 0.418 0.000 1.048 419 N CA -0.386 52.783 53.050 0.199 0.000 0.858 419 N CB 1.990 40.536 38.487 0.099 0.000 1.218 419 N HN 0.847 nan 8.380 nan 0.000 0.488 420 N N 3.487 122.389 118.700 0.337 0.000 2.244 420 N HA -0.109 4.630 4.740 -0.000 0.000 0.183 420 N C 0.650 176.160 175.510 0.001 0.000 1.016 420 N CA 1.269 54.380 53.050 0.102 0.000 0.866 420 N CB -0.326 38.115 38.487 -0.076 0.000 0.980 420 N HN 0.624 nan 8.380 nan 0.000 0.430 421 I N -2.834 117.764 120.570 0.046 0.000 2.441 421 I HA 0.700 4.870 4.170 -0.000 0.000 0.295 421 I C 0.646 176.793 176.117 0.050 0.000 0.994 421 I CA -1.577 59.740 61.300 0.029 0.000 1.144 421 I CB 1.841 39.847 38.000 0.010 0.000 1.314 421 I HN -0.047 nan 8.210 nan 0.000 0.445 422 G N 3.764 112.589 108.800 0.043 0.000 2.651 422 G HA2 0.189 4.149 3.960 -0.000 0.000 0.260 422 G HA3 0.189 4.149 3.960 -0.000 0.000 0.260 422 G C 0.445 175.292 174.900 -0.089 0.000 1.216 422 G CA -0.638 44.459 45.100 -0.004 0.000 0.913 422 G HN 0.849 nan 8.290 nan 0.000 0.535 423 K N -0.784 119.461 120.400 -0.259 0.000 2.107 423 K HA -0.156 4.164 4.320 -0.000 0.000 0.211 423 K C 0.047 176.457 176.600 -0.316 0.000 1.049 423 K CA 1.644 57.665 56.287 -0.443 0.000 0.927 423 K CB -0.230 31.697 32.500 -0.955 0.000 0.714 423 K HN 0.530 nan 8.250 nan 0.000 0.452 424 Y N -1.250 119.083 120.300 0.055 0.000 2.662 424 Y HA 0.263 4.812 4.550 -0.000 0.000 0.335 424 Y C 1.032 176.967 175.900 0.058 0.000 1.066 424 Y CA -1.599 56.533 58.100 0.054 0.000 1.116 424 Y CB 0.573 39.070 38.460 0.061 0.000 1.308 424 Y HN -0.251 nan 8.280 nan 0.000 0.502 425 R N -0.440 120.207 120.500 0.244 0.000 2.092 425 R HA 0.043 4.383 4.340 -0.000 0.000 0.231 425 R C 0.366 176.752 176.300 0.144 0.000 1.119 425 R CA 0.815 57.002 56.100 0.145 0.000 0.970 425 R CB -1.300 29.056 30.300 0.094 0.000 0.864 425 R HN 0.388 nan 8.270 nan 0.000 0.440 426 S N 0.562 116.373 115.700 0.185 0.000 2.596 426 S HA 0.393 4.863 4.470 -0.000 0.000 0.260 426 S C 0.868 175.593 174.600 0.209 0.000 1.336 426 S CA -0.004 58.302 58.200 0.176 0.000 0.993 426 S CB 0.648 63.958 63.200 0.183 0.000 0.923 426 S HN 0.635 nan 8.310 nan 0.000 0.567 427 A N -0.038 122.897 122.820 0.192 0.000 2.745 427 A HA -0.166 4.154 4.320 -0.000 0.000 0.296 427 A C 1.586 179.225 177.584 0.092 0.000 1.500 427 A CA 1.081 53.229 52.037 0.185 0.000 0.766 427 A CB -2.183 17.064 19.000 0.412 0.000 1.030 427 A HN 1.316 nan 8.150 nan 0.000 0.489 428 G N -0.473 108.371 108.800 0.072 0.000 2.553 428 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.218 428 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.218 428 G C 1.757 176.666 174.900 0.014 0.000 1.195 428 G CA 2.192 47.320 45.100 0.045 0.000 0.779 428 G HN 1.937 nan 8.290 nan 0.000 0.577 429 A N -0.551 122.292 122.820 0.038 0.000 2.014 429 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 429 A C 2.554 180.055 177.584 -0.139 0.000 1.163 429 A CA 1.759 53.828 52.037 0.052 0.000 0.652 429 A CB -0.676 18.480 19.000 0.260 0.000 0.808 429 A HN 0.473 nan 8.150 nan 0.000 0.449 430 C N -1.500 117.741 119.300 -0.099 0.000 2.466 430 C HA -0.037 4.422 4.460 -0.000 0.000 0.278 430 C C 2.920 177.742 174.990 -0.281 0.000 1.288 430 C CA 1.259 60.070 59.018 -0.346 0.000 1.722 430 C CB -1.467 25.690 27.740 -0.971 0.000 2.017 430 C HN 0.596 nan 8.230 nan 0.000 0.488 431 T N 1.480 115.982 114.554 -0.088 0.000 2.720 431 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 431 T C 2.096 176.829 174.700 0.054 0.000 1.037 431 T CA 1.985 64.128 62.100 0.072 0.000 1.144 431 T CB -0.377 68.550 68.868 0.099 0.000 0.864 431 T HN 0.659 nan 8.240 nan 0.000 0.444 432 A N 0.962 123.760 122.820 -0.036 0.000 1.929 432 A HA 0.328 4.647 4.320 -0.000 0.000 0.216 432 A C 2.543 180.083 177.584 -0.074 0.000 1.176 432 A CA 1.529 53.536 52.037 -0.050 0.000 0.628 432 A CB -0.836 18.110 19.000 -0.091 0.000 0.816 432 A HN 0.493 nan 8.150 nan 0.000 0.444 433 A N -0.355 122.304 122.820 -0.268 0.000 2.066 433 A HA 0.319 4.639 4.320 -0.000 0.000 0.218 433 A C 2.314 179.920 177.584 0.038 0.000 1.157 433 A CA 1.517 53.390 52.037 -0.274 0.000 0.670 433 A CB -0.643 17.755 19.000 -1.003 0.000 0.804 433 A HN 0.906 nan 8.150 nan 0.000 0.453 434 A N -1.225 121.631 122.820 0.060 0.000 2.014 434 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 434 A C 1.890 179.584 177.584 0.184 0.000 1.163 434 A CA 1.265 53.407 52.037 0.175 0.000 0.652 434 A CB -0.599 18.526 19.000 0.207 0.000 0.808 434 A HN 0.607 nan 8.150 nan 0.000 0.449 435 F N 0.837 120.820 119.950 0.054 0.000 2.146 435 F HA -0.098 4.429 4.527 -0.000 0.000 0.298 435 F C 1.844 177.740 175.800 0.161 0.000 1.096 435 F CA 1.482 59.534 58.000 0.088 0.000 1.275 435 F CB -0.275 38.774 39.000 0.080 0.000 1.008 435 F HN 0.135 nan 8.300 nan 0.000 0.480 436 L N 0.069 121.571 121.223 0.465 0.000 2.046 436 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 436 L C 2.405 179.275 176.870 -0.001 0.000 1.077 436 L CA 1.584 56.640 54.840 0.359 0.000 0.747 436 L CB -0.865 41.363 42.059 0.282 0.000 0.896 436 L HN 0.066 nan 8.230 nan 0.000 0.432 437 K N 0.642 120.985 120.400 -0.095 0.000 2.286 437 K HA -0.196 4.124 4.320 -0.000 0.000 0.203 437 K C 1.826 178.255 176.600 -0.285 0.000 1.045 437 K CA 1.205 57.280 56.287 -0.353 0.000 0.935 437 K CB -0.101 32.468 32.500 0.114 0.000 0.737 437 K HN 0.189 nan 8.250 nan 0.000 0.460 438 E N -0.815 119.199 120.200 -0.311 0.000 2.418 438 E HA -0.104 4.246 4.350 -0.000 0.000 0.197 438 E C 0.252 176.342 176.600 -0.851 0.000 1.026 438 E CA 0.673 56.720 56.400 -0.589 0.000 0.862 438 E CB 0.021 29.206 29.700 -0.858 0.000 0.799 438 E HN 0.356 nan 8.360 nan 0.000 0.518 439 F N -0.415 119.410 119.950 -0.208 0.000 2.698 439 F HA 0.178 4.705 4.527 -0.000 0.000 0.304 439 F C 0.075 175.785 175.800 -0.151 0.000 1.108 439 F CA -0.226 57.689 58.000 -0.142 0.000 1.263 439 F CB 0.959 39.913 39.000 -0.076 0.000 1.013 439 F HN -0.340 nan 8.300 nan 0.000 0.532 440 V N 0.103 119.907 119.914 -0.184 0.000 2.668 440 V HA 0.276 4.396 4.120 -0.000 0.000 0.304 440 V C 0.443 176.442 176.094 -0.158 0.000 1.071 440 V CA -0.458 61.741 62.300 -0.167 0.000 0.894 440 V CB 1.926 33.305 31.823 -0.740 0.000 1.008 440 V HN 0.251 nan 8.190 nan 0.000 0.425 441 T N -1.438 113.023 114.554 -0.155 0.000 3.040 441 T HA 0.181 4.531 4.350 -0.000 0.000 0.266 441 T C 0.553 175.289 174.700 0.060 0.000 1.005 441 T CA 0.050 62.090 62.100 -0.100 0.000 0.906 441 T CB -0.127 68.621 68.868 -0.199 0.000 1.082 441 T HN 0.644 nan 8.240 nan 0.000 0.531 442 H N 3.352 122.527 119.070 0.174 0.000 2.790 442 H HA 0.163 4.718 4.556 -0.000 0.000 0.358 442 H C -1.545 173.921 175.328 0.231 0.000 1.103 442 H CA -0.989 55.210 56.048 0.253 0.000 1.426 442 H CB 1.770 31.764 29.762 0.386 0.000 1.424 442 H HN 0.046 nan 8.280 nan 0.000 0.599 443 P HA 0.037 nan 4.420 nan 0.000 0.245 443 P C -0.343 177.058 177.300 0.168 0.000 1.212 443 P CA 0.741 63.819 63.100 -0.037 0.000 0.774 443 P CB 0.480 32.116 31.700 -0.107 0.000 0.999 444 K N -0.329 120.311 120.400 0.400 0.000 3.271 444 K HA 0.141 4.461 4.320 -0.000 0.000 0.192 444 K C -0.895 176.048 176.600 0.572 0.000 1.108 444 K CA -0.554 56.043 56.287 0.518 0.000 0.902 444 K CB 0.118 32.944 32.500 0.542 0.000 0.889 444 K HN 0.031 nan 8.250 nan 0.000 0.520 445 W N 1.561 123.060 121.300 0.332 0.000 2.313 445 W HA 0.487 5.147 4.660 -0.000 0.000 0.328 445 W C -1.033 175.588 176.519 0.169 0.000 1.197 445 W CA -0.462 57.017 57.345 0.223 0.000 1.235 445 W CB 0.995 30.595 29.460 0.233 0.000 1.158 445 W HN 0.253 nan 8.180 nan 0.000 0.578 446 A N 4.830 127.312 122.820 -0.564 0.000 2.385 446 A HA 0.357 4.677 4.320 -0.000 0.000 0.290 446 A C -1.874 175.343 177.584 -0.611 0.000 1.094 446 A CA -0.600 51.085 52.037 -0.587 0.000 0.729 446 A CB 0.437 19.267 19.000 -0.283 0.000 1.194 446 A HN 0.732 nan 8.150 nan 0.000 0.442 447 H N 3.186 121.796 119.070 -0.767 0.000 2.527 447 H HA 0.631 5.186 4.556 -0.000 0.000 0.321 447 H C -1.191 174.064 175.328 -0.121 0.000 1.087 447 H CA -0.819 55.028 56.048 -0.336 0.000 1.337 447 H CB 0.625 30.209 29.762 -0.296 0.000 1.440 447 H HN 0.469 nan 8.280 nan 0.000 0.490 448 L N 5.320 126.489 121.223 -0.090 0.000 2.342 448 L HA 0.224 4.563 4.340 -0.000 0.000 0.276 448 L C -0.280 176.454 176.870 -0.227 0.000 0.997 448 L CA -0.726 53.996 54.840 -0.197 0.000 0.838 448 L CB 1.539 43.529 42.059 -0.115 0.000 1.224 448 L HN 0.607 nan 8.230 nan 0.000 0.416 449 D N 3.234 123.419 120.400 -0.359 0.000 2.313 449 D HA 0.261 4.901 4.640 -0.000 0.000 0.239 449 D C 0.352 176.614 176.300 -0.063 0.000 1.142 449 D CA -0.132 53.774 54.000 -0.156 0.000 0.847 449 D CB 2.005 42.723 40.800 -0.135 0.000 1.082 449 D HN 0.371 nan 8.370 nan 0.000 0.480 450 I N 3.016 123.569 120.570 -0.028 0.000 3.976 450 I HA 0.096 4.266 4.170 -0.000 0.000 0.337 450 I C 1.990 178.094 176.117 -0.022 0.000 1.359 450 I CA 0.091 61.377 61.300 -0.024 0.000 1.098 450 I CB 0.400 38.387 38.000 -0.021 0.000 1.027 450 I HN 0.476 nan 8.210 nan 0.000 0.394 451 A N 0.328 123.136 122.820 -0.021 0.000 2.070 451 A HA -0.050 4.269 4.320 -0.000 0.000 0.220 451 A C 2.338 179.906 177.584 -0.026 0.000 1.159 451 A CA 1.718 53.740 52.037 -0.024 0.000 0.656 451 A CB -0.905 18.082 19.000 -0.021 0.000 0.800 451 A HN 0.437 nan 8.150 nan 0.000 0.453 452 G N -0.696 108.089 108.800 -0.026 0.000 2.492 452 G HA2 0.103 4.062 3.960 -0.000 0.000 0.214 452 G HA3 0.103 4.062 3.960 -0.000 0.000 0.214 452 G C 1.213 176.097 174.900 -0.026 0.000 1.147 452 G CA 1.097 46.180 45.100 -0.029 0.000 0.809 452 G HN 0.975 nan 8.290 nan 0.000 0.533 453 V N -1.667 118.235 119.914 -0.021 0.000 3.421 453 V HA 0.375 4.494 4.120 -0.000 0.000 0.316 453 V C 1.964 178.046 176.094 -0.020 0.000 1.347 453 V CA 0.357 62.646 62.300 -0.017 0.000 1.183 453 V CB 0.073 31.892 31.823 -0.007 0.000 1.092 453 V HN 0.279 nan 8.190 nan 0.000 0.433 454 M N 0.924 120.511 119.600 -0.022 0.000 2.159 454 M HA -0.004 4.476 4.480 -0.000 0.000 0.263 454 M C 0.827 177.115 176.300 -0.020 0.000 1.063 454 M CA 1.564 56.849 55.300 -0.024 0.000 1.110 454 M CB 0.163 32.747 32.600 -0.028 0.000 1.374 454 M HN 0.544 nan 8.290 nan 0.000 0.411 455 T N 0.107 114.650 114.554 -0.018 0.000 2.932 455 T HA 0.425 4.775 4.350 -0.000 0.000 0.289 455 T C -1.120 173.569 174.700 -0.018 0.000 1.039 455 T CA -0.712 61.380 62.100 -0.013 0.000 1.024 455 T CB 1.769 70.632 68.868 -0.009 0.000 1.090 455 T HN 0.249 nan 8.240 nan 0.000 0.496 456 N N -0.152 118.539 118.700 -0.015 0.000 2.284 456 N HA 0.489 5.229 4.740 -0.000 0.000 0.289 456 N C 0.075 175.577 175.510 -0.014 0.000 1.179 456 N CA -0.654 52.381 53.050 -0.026 0.000 0.774 456 N CB 1.796 40.255 38.487 -0.046 0.000 1.548 456 N HN 0.449 nan 8.380 nan 0.000 0.473 457 K N -0.366 120.022 120.400 -0.019 0.000 2.410 457 K HA 0.184 4.504 4.320 -0.000 0.000 0.204 457 K C -0.322 176.269 176.600 -0.015 0.000 1.268 457 K CA 0.558 56.839 56.287 -0.011 0.000 0.896 457 K CB 0.696 33.190 32.500 -0.009 0.000 1.401 457 K HN 0.743 nan 8.250 nan 0.000 0.479 458 D N -0.698 119.689 120.400 -0.023 0.000 2.411 458 D HA -0.023 4.617 4.640 -0.000 0.000 0.374 458 D C 0.594 176.877 176.300 -0.030 0.000 1.187 458 D CA 0.175 54.162 54.000 -0.022 0.000 0.928 458 D CB 0.184 40.977 40.800 -0.010 0.000 1.402 458 D HN -0.063 nan 8.370 nan 0.000 0.478 459 E N 0.836 121.014 120.200 -0.036 0.000 2.072 459 E HA 0.021 4.371 4.350 -0.000 0.000 0.191 459 E C 0.700 177.280 176.600 -0.033 0.000 0.985 459 E CA 0.906 57.289 56.400 -0.027 0.000 0.801 459 E CB 0.338 30.020 29.700 -0.029 0.000 0.750 459 E HN 0.135 nan 8.360 nan 0.000 0.452 460 V N 2.051 121.904 119.914 -0.101 0.000 2.407 460 V HA 0.097 4.217 4.120 -0.000 0.000 0.278 460 V C -1.821 174.122 176.094 -0.252 0.000 1.037 460 V CA -1.315 60.846 62.300 -0.232 0.000 0.900 460 V CB 1.486 33.079 31.823 -0.383 0.000 0.983 460 V HN -0.010 nan 8.190 nan 0.000 0.459 461 P HA -0.076 nan 4.420 nan 0.000 0.214 461 P C 1.145 178.419 177.300 -0.043 0.000 1.162 461 P CA 1.098 64.170 63.100 -0.047 0.000 0.874 461 P CB -0.009 31.739 31.700 0.081 0.000 0.784 462 Y N -2.265 118.033 120.300 -0.003 0.000 2.519 462 Y HA 0.339 4.889 4.550 -0.000 0.000 0.311 462 Y C 0.179 176.086 175.900 0.012 0.000 1.207 462 Y CA -0.603 57.493 58.100 -0.006 0.000 1.289 462 Y CB -1.064 37.379 38.460 -0.029 0.000 1.059 462 Y HN -0.186 nan 8.280 nan 0.000 0.507 463 L N 2.010 123.133 121.223 -0.166 0.000 2.329 463 L HA 0.467 4.807 4.340 -0.000 0.000 0.279 463 L C 0.083 176.947 176.870 -0.010 0.000 1.014 463 L CA -1.513 53.287 54.840 -0.067 0.000 0.814 463 L CB 1.609 43.571 42.059 -0.162 0.000 1.257 463 L HN 0.204 nan 8.230 nan 0.000 0.424 464 R N 1.951 122.482 120.500 0.051 0.000 2.580 464 R HA 0.372 4.712 4.340 -0.000 0.000 0.267 464 R C -0.256 176.068 176.300 0.041 0.000 1.125 464 R CA -0.917 55.211 56.100 0.046 0.000 1.188 464 R CB 0.575 30.913 30.300 0.064 0.000 1.155 464 R HN 0.403 nan 8.270 nan 0.000 0.586 465 K N 0.939 121.359 120.400 0.034 0.000 2.401 465 K HA 0.282 4.602 4.320 -0.000 0.000 0.278 465 K C 0.343 176.974 176.600 0.053 0.000 1.018 465 K CA 0.335 56.641 56.287 0.031 0.000 0.981 465 K CB 0.861 33.375 32.500 0.023 0.000 0.933 465 K HN 0.854 nan 8.250 nan 0.000 0.477 466 G N 1.413 110.241 108.800 0.046 0.000 2.343 466 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.465 466 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.465 466 G C -0.788 174.140 174.900 0.046 0.000 1.282 466 G CA -1.160 43.977 45.100 0.062 0.000 0.996 466 G HN 0.302 nan 8.290 nan 0.000 0.521 467 M N 0.774 120.398 119.600 0.040 0.000 2.261 467 M HA 0.328 4.807 4.480 -0.000 0.000 0.350 467 M C 1.637 177.936 176.300 -0.001 0.000 1.343 467 M CA 0.784 56.088 55.300 0.008 0.000 1.003 467 M CB 0.158 32.750 32.600 -0.013 0.000 1.848 467 M HN 1.327 nan 8.290 nan 0.000 0.456 468 A N 2.851 125.660 122.820 -0.018 0.000 2.044 468 A HA 0.405 4.725 4.320 -0.000 0.000 0.213 468 A C 1.400 178.956 177.584 -0.046 0.000 1.169 468 A CA 0.806 52.826 52.037 -0.029 0.000 0.724 468 A CB -0.320 18.662 19.000 -0.031 0.000 0.840 468 A HN 1.221 nan 8.150 nan 0.000 0.463 469 G N -0.028 108.744 108.800 -0.047 0.000 2.212 469 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.255 469 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.255 469 G C 0.005 174.888 174.900 -0.027 0.000 1.062 469 G CA 0.208 45.277 45.100 -0.053 0.000 0.815 469 G HN 0.640 nan 8.290 nan 0.000 0.497 470 R N -0.125 120.367 120.500 -0.014 0.000 2.540 470 R HA 0.513 4.853 4.340 -0.000 0.000 0.287 470 R C -2.278 174.025 176.300 0.006 0.000 0.980 470 R CA -1.811 54.292 56.100 0.005 0.000 0.966 470 R CB 2.065 32.369 30.300 0.008 0.000 1.106 470 R HN 0.130 nan 8.270 nan 0.000 0.480 471 P HA 0.144 nan 4.420 nan 0.000 0.240 471 P C 0.166 177.494 177.300 0.046 0.000 1.854 471 P CA -0.204 62.918 63.100 0.036 0.000 1.081 471 P CB 0.416 32.139 31.700 0.037 0.000 1.646 472 T N 0.843 115.417 114.554 0.033 0.000 2.620 472 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 472 T C 1.821 176.546 174.700 0.041 0.000 1.044 472 T CA 1.581 63.699 62.100 0.030 0.000 1.161 472 T CB -0.372 68.493 68.868 -0.004 0.000 0.862 472 T HN 0.344 nan 8.240 nan 0.000 0.438 473 R N 0.548 121.089 120.500 0.068 0.000 2.152 473 R HA -0.034 4.305 4.340 -0.000 0.000 0.232 473 R C 2.605 179.003 176.300 0.162 0.000 1.117 473 R CA 1.414 57.597 56.100 0.137 0.000 0.981 473 R CB -0.592 29.840 30.300 0.219 0.000 0.870 473 R HN 0.381 nan 8.270 nan 0.000 0.451 474 T N 1.199 115.827 114.554 0.124 0.000 2.942 474 T HA -0.037 4.313 4.350 -0.000 0.000 0.265 474 T C 1.678 176.479 174.700 0.168 0.000 1.062 474 T CA 0.534 62.708 62.100 0.123 0.000 1.139 474 T CB -0.024 68.889 68.868 0.075 0.000 0.883 474 T HN -0.006 nan 8.240 nan 0.000 0.468 475 L N 1.061 122.380 121.223 0.160 0.000 1.988 475 L HA 0.075 4.415 4.340 -0.000 0.000 0.207 475 L C 2.246 179.292 176.870 0.293 0.000 1.071 475 L CA 1.426 56.427 54.840 0.269 0.000 0.744 475 L CB -0.780 41.416 42.059 0.227 0.000 0.893 475 L HN 0.247 nan 8.230 nan 0.000 0.433 476 I N -0.639 119.991 120.570 0.100 0.000 2.091 476 I HA -0.374 3.796 4.170 -0.000 0.000 0.240 476 I C 2.482 178.634 176.117 0.058 0.000 1.046 476 I CA 1.836 63.091 61.300 -0.076 0.000 1.306 476 I CB -0.412 37.318 38.000 -0.451 0.000 1.018 476 I HN 0.309 nan 8.210 nan 0.000 0.404 477 E N 0.836 121.158 120.200 0.204 0.000 2.204 477 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 477 E C 1.902 178.676 176.600 0.291 0.000 0.990 477 E CA 1.240 57.827 56.400 0.312 0.000 0.821 477 E CB -0.345 29.520 29.700 0.276 0.000 0.750 477 E HN 0.481 nan 8.360 nan 0.000 0.477 478 F N 0.299 120.338 119.950 0.149 0.000 2.113 478 F HA -0.025 4.502 4.527 -0.000 0.000 0.297 478 F C 1.643 177.560 175.800 0.195 0.000 1.103 478 F CA 1.297 59.380 58.000 0.138 0.000 1.248 478 F CB -0.367 38.689 39.000 0.093 0.000 0.999 478 F HN 0.036 nan 8.300 nan 0.000 0.475 479 L N -0.803 120.290 121.223 -0.217 0.000 2.201 479 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 479 L C 2.351 179.197 176.870 -0.041 0.000 1.105 479 L CA 1.000 55.669 54.840 -0.284 0.000 0.775 479 L CB -0.824 41.137 42.059 -0.163 0.000 0.913 479 L HN 0.266 nan 8.230 nan 0.000 0.440 480 F N 0.870 120.787 119.950 -0.055 0.000 2.075 480 F HA -0.212 4.315 4.527 -0.000 0.000 0.297 480 F C 2.678 178.487 175.800 0.016 0.000 1.113 480 F CA 1.578 59.586 58.000 0.012 0.000 1.218 480 F CB -0.083 38.975 39.000 0.096 0.000 0.984 480 F HN -0.153 nan 8.300 nan 0.000 0.472 481 R N -1.063 119.566 120.500 0.214 0.000 2.115 481 R HA -0.142 4.198 4.340 -0.000 0.000 0.230 481 R C 2.195 178.487 176.300 -0.013 0.000 1.111 481 R CA 1.461 57.625 56.100 0.107 0.000 0.976 481 R CB -0.709 29.701 30.300 0.182 0.000 0.870 481 R HN 0.401 nan 8.270 nan 0.000 0.445 482 F N 1.336 121.149 119.950 -0.227 0.000 2.259 482 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 482 F C 2.455 178.168 175.800 -0.146 0.000 1.088 482 F CA 1.424 59.298 58.000 -0.210 0.000 1.358 482 F CB -0.085 38.658 39.000 -0.427 0.000 1.040 482 F HN -0.053 nan 8.300 nan 0.000 0.505 483 S N -0.535 115.188 115.700 0.039 0.000 2.395 483 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 483 S C 1.153 175.652 174.600 -0.168 0.000 1.027 483 S CA 0.042 58.221 58.200 -0.034 0.000 0.965 483 S CB -0.444 62.717 63.200 -0.065 0.000 0.812 483 S HN 0.313 nan 8.310 nan 0.000 0.482 484 Q N 0.000 119.632 119.800 -0.280 0.000 2.315 484 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 484 Q CA 0.000 55.639 55.803 -0.273 0.000 1.022 484 Q CB 0.000 28.496 28.738 -0.403 0.000 1.108 484 Q HN 0.000 nan 8.270 nan 0.000 0.481