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 3h0r_1_E DATA FIRST_RESID 3 DATA SEQUENCE EKYEAVIGLE IHVQMDTKTK MFCGCKVEFG AEPNTNVCPV CLGMPGALPI DATA SEQUENCE VNKRAVEYAI RASLALNCEV HEESVFARKH YFYPDLPKGY QISQYEKPLA DATA SEQUENCE TNGWVELNLP NGEKKKVRIR RLHIEEDAGK NIHEGDKTLV DLNRAGTPLM DATA SEQUENCE EIVTEPDIRT PEEARLFLEK LRNIMRYAGV SKADMEKGQL RCDINVSIRP DATA SEQUENCE KGSKEFGTRV EIKNVNSFRF VQKALEYEIE RQINVVEEGG EVVQETRTFD DATA SEQUENCE PQTGKTYPMR TKEEAEDYRY FPDPDLVPLK VKKEWIEEIK KNMPELPDQR DATA SEQUENCE FERLIKEYGL SEYEAGILVN HKEVGDFFEE AVRHFKEPKG IVNWLINDLL DATA SEQUENCE GLLRDKGISI EESPVKPEHL AELVKLIKEK VISTKIGKEV IKEMVETGKT DATA SEQUENCE PSQIVEEKGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.605 176.600 0.008 0.000 1.382 3 E CA 0.000 56.420 56.400 0.034 0.000 0.976 3 E CB 0.000 29.729 29.700 0.048 0.000 0.812 4 K N 1.967 122.366 120.400 -0.001 0.000 2.116 4 K HA 0.051 4.372 4.320 0.001 0.000 0.203 4 K C 0.408 176.868 176.600 -0.234 0.000 1.052 4 K CA 0.817 57.009 56.287 -0.159 0.000 0.952 4 K CB 0.007 32.327 32.500 -0.300 0.000 0.729 4 K HN 0.384 nan 8.250 nan 0.000 0.446 5 Y N 0.989 121.271 120.300 -0.030 0.000 2.378 5 Y HA 0.208 4.758 4.550 0.001 0.000 0.351 5 Y C 0.208 176.085 175.900 -0.039 0.000 1.351 5 Y CA -0.449 57.629 58.100 -0.036 0.000 1.616 5 Y CB 0.728 39.167 38.460 -0.034 0.000 1.622 5 Y HN -0.077 nan 8.280 nan 0.000 0.568 6 E N -0.115 120.192 120.200 0.177 0.000 2.343 6 E HA 0.559 4.910 4.350 0.001 0.000 0.286 6 E C -1.872 174.759 176.600 0.052 0.000 0.915 6 E CA -0.640 55.799 56.400 0.064 0.000 0.784 6 E CB 1.251 30.955 29.700 0.007 0.000 1.251 6 E HN 0.676 nan 8.360 nan 0.000 0.407 7 A N 3.016 125.851 122.820 0.024 0.000 2.309 7 A HA 0.609 4.930 4.320 0.001 0.000 0.298 7 A C -0.581 177.008 177.584 0.009 0.000 1.165 7 A CA -0.492 51.551 52.037 0.010 0.000 0.821 7 A CB 0.929 19.925 19.000 -0.006 0.000 1.102 7 A HN 0.286 nan 8.150 nan 0.000 0.500 8 V N 3.372 123.301 119.914 0.024 0.000 2.409 8 V HA 0.504 4.625 4.120 0.001 0.000 0.291 8 V C -0.423 175.691 176.094 0.033 0.000 1.020 8 V CA -0.126 62.203 62.300 0.048 0.000 0.848 8 V CB 0.815 32.714 31.823 0.126 0.000 0.990 8 V HN 0.709 nan 8.190 nan 0.000 0.430 9 I N 3.702 124.274 120.570 0.003 0.000 2.478 9 I HA 0.730 4.901 4.170 0.001 0.000 0.287 9 I C 0.494 176.573 176.117 -0.063 0.000 1.042 9 I CA -0.176 61.106 61.300 -0.029 0.000 1.067 9 I CB 2.166 40.139 38.000 -0.045 0.000 1.233 9 I HN 0.751 nan 8.210 nan 0.000 0.431 10 G N 6.738 115.500 108.800 -0.063 0.000 2.482 10 G HA2 0.836 4.796 3.960 0.001 0.000 0.317 10 G HA3 0.836 4.796 3.960 0.001 0.000 0.317 10 G C -1.192 173.651 174.900 -0.096 0.000 1.241 10 G CA -0.532 44.509 45.100 -0.099 0.000 0.967 10 G HN 0.397 nan 8.290 nan 0.000 0.482 11 L N 0.598 121.740 121.223 -0.135 0.000 2.381 11 L HA 0.520 4.860 4.340 0.001 0.000 0.268 11 L C -0.545 176.296 176.870 -0.048 0.000 0.997 11 L CA -0.809 53.983 54.840 -0.080 0.000 0.818 11 L CB 2.838 44.841 42.059 -0.093 0.000 1.310 11 L HN 0.492 nan 8.230 nan 0.000 0.416 12 E N 2.998 123.198 120.200 -0.001 0.000 2.101 12 E HA 0.470 4.820 4.350 0.001 0.000 0.260 12 E C -1.188 175.418 176.600 0.011 0.000 0.897 12 E CA -0.381 56.010 56.400 -0.015 0.000 0.744 12 E CB 1.711 31.427 29.700 0.027 0.000 1.140 12 E HN 0.311 nan 8.360 nan 0.000 0.419 13 I N 2.599 123.147 120.570 -0.036 0.000 2.377 13 I HA 0.204 4.374 4.170 0.001 0.000 0.293 13 I C -0.491 175.564 176.117 -0.103 0.000 0.987 13 I CA -0.483 60.838 61.300 0.035 0.000 1.185 13 I CB 0.964 39.023 38.000 0.099 0.000 1.341 13 I HN 0.447 nan 8.210 nan 0.000 0.455 14 H N 4.613 123.716 119.070 0.055 0.000 2.541 14 H HA 0.547 5.104 4.556 0.001 0.000 0.316 14 H C -0.796 174.560 175.328 0.047 0.000 1.043 14 H CA -0.524 55.548 56.048 0.040 0.000 1.232 14 H CB 1.174 30.965 29.762 0.049 0.000 1.406 14 H HN 0.225 nan 8.280 nan 0.000 0.469 15 V N 3.862 123.843 119.914 0.111 0.000 2.427 15 V HA 0.179 4.300 4.120 0.001 0.000 0.286 15 V C 0.128 176.277 176.094 0.092 0.000 1.034 15 V CA -0.819 61.533 62.300 0.088 0.000 0.893 15 V CB 1.549 33.400 31.823 0.047 0.000 0.982 15 V HN 0.741 nan 8.190 nan 0.000 0.452 16 Q N 4.525 124.377 119.800 0.086 0.000 2.274 16 Q HA 0.493 4.834 4.340 0.001 0.000 0.256 16 Q C -0.773 175.278 176.000 0.085 0.000 0.927 16 Q CA -0.522 55.331 55.803 0.083 0.000 0.939 16 Q CB 1.079 29.863 28.738 0.076 0.000 1.201 16 Q HN 0.708 nan 8.270 nan 0.000 0.426 17 M N 3.310 122.966 119.600 0.093 0.000 2.120 17 M HA 0.062 4.543 4.480 0.001 0.000 0.354 17 M C -0.090 176.296 176.300 0.144 0.000 1.287 17 M CA -0.214 55.173 55.300 0.144 0.000 1.103 17 M CB 0.652 33.334 32.600 0.137 0.000 1.623 17 M HN 0.535 nan 8.290 nan 0.000 0.471 18 D N 3.324 123.855 120.400 0.218 0.000 2.885 18 D HA 0.017 4.657 4.640 0.001 0.000 0.234 18 D C -0.089 176.340 176.300 0.215 0.000 1.129 18 D CA -0.036 54.079 54.000 0.191 0.000 0.991 18 D CB 0.088 40.985 40.800 0.162 0.000 1.137 18 D HN 0.574 nan 8.370 nan 0.000 0.459 19 T N -2.509 112.079 114.554 0.055 0.000 2.918 19 T HA 0.267 4.618 4.350 0.001 0.000 0.283 19 T C 1.306 175.991 174.700 -0.024 0.000 1.001 19 T CA -0.788 61.261 62.100 -0.084 0.000 1.041 19 T CB 1.840 70.597 68.868 -0.184 0.000 1.028 19 T HN 0.018 nan 8.240 nan 0.000 0.511 20 K N 0.309 120.689 120.400 -0.033 0.000 2.148 20 K HA 0.027 4.348 4.320 0.001 0.000 0.204 20 K C 0.753 177.342 176.600 -0.017 0.000 1.050 20 K CA 0.887 57.167 56.287 -0.010 0.000 0.942 20 K CB -0.051 32.443 32.500 -0.009 0.000 0.724 20 K HN 0.542 nan 8.250 nan 0.000 0.446 21 T N 0.798 115.327 114.554 -0.041 0.000 2.940 21 T HA 0.262 4.612 4.350 0.001 0.000 0.288 21 T C -0.230 174.436 174.700 -0.057 0.000 1.033 21 T CA -0.735 61.340 62.100 -0.042 0.000 1.033 21 T CB 1.972 70.811 68.868 -0.047 0.000 1.079 21 T HN -0.053 nan 8.240 nan 0.000 0.496 22 K N 1.010 121.380 120.400 -0.050 0.000 2.143 22 K HA 0.188 4.509 4.320 0.001 0.000 0.239 22 K C 1.321 177.834 176.600 -0.146 0.000 1.048 22 K CA -0.561 55.684 56.287 -0.070 0.000 0.867 22 K CB 0.157 32.635 32.500 -0.037 0.000 1.088 22 K HN 0.385 nan 8.250 nan 0.000 0.510 23 M N 0.258 119.712 119.600 -0.244 0.000 2.086 23 M HA -0.038 4.443 4.480 0.001 0.000 0.261 23 M C 0.531 176.426 176.300 -0.674 0.000 1.067 23 M CA 1.866 56.827 55.300 -0.565 0.000 1.116 23 M CB 0.075 32.158 32.600 -0.861 0.000 1.348 23 M HN 0.534 nan 8.290 nan 0.000 0.407 24 F N -0.553 119.354 119.950 -0.071 0.000 2.668 24 F HA 0.324 4.851 4.527 0.001 0.000 0.301 24 F C 0.324 176.086 175.800 -0.063 0.000 1.106 24 F CA -0.841 57.104 58.000 -0.090 0.000 1.289 24 F CB -0.120 38.810 39.000 -0.115 0.000 1.006 24 F HN 0.294 nan 8.300 nan 0.000 0.535 25 C N -3.156 116.181 119.300 0.062 0.000 3.275 25 C HA 0.673 5.134 4.460 0.001 0.000 0.345 25 C C 1.159 176.150 174.990 0.002 0.000 1.257 25 C CA -0.726 58.313 59.018 0.035 0.000 1.203 25 C CB 1.039 28.802 27.740 0.037 0.000 1.492 25 C HN 0.332 nan 8.230 nan 0.000 0.484 26 G N -0.002 108.798 108.800 0.001 0.000 3.124 26 G HA2 0.260 4.221 3.960 0.001 0.000 0.212 26 G HA3 0.260 4.221 3.960 0.001 0.000 0.212 26 G C 0.554 175.450 174.900 -0.008 0.000 1.181 26 G CA 0.325 45.421 45.100 -0.008 0.000 0.803 26 G HN 1.088 nan 8.290 nan 0.000 0.529 27 C N 0.888 120.184 119.300 -0.005 0.000 2.665 27 C HA 0.185 4.646 4.460 0.001 0.000 0.416 27 C C 1.012 175.998 174.990 -0.007 0.000 1.305 27 C CA -0.407 58.608 59.018 -0.005 0.000 1.903 27 C CB 0.274 28.012 27.740 -0.003 0.000 2.704 27 C HN 0.384 nan 8.230 nan 0.000 0.629 28 K N 1.354 121.752 120.400 -0.003 0.000 2.218 28 K HA 0.438 4.759 4.320 0.001 0.000 0.276 28 K C -0.699 175.905 176.600 0.006 0.000 1.022 28 K CA -0.367 55.921 56.287 0.001 0.000 0.946 28 K CB 0.845 33.348 32.500 0.005 0.000 1.000 28 K HN 0.423 nan 8.250 nan 0.000 0.468 29 V N 3.762 123.683 119.914 0.012 0.000 2.406 29 V HA 0.181 4.302 4.120 0.001 0.000 0.272 29 V C -0.062 176.059 176.094 0.045 0.000 1.043 29 V CA -0.130 62.186 62.300 0.027 0.000 0.915 29 V CB 0.519 32.358 31.823 0.026 0.000 0.988 29 V HN 0.917 nan 8.190 nan 0.000 0.466 30 E N 4.560 124.796 120.200 0.061 0.000 2.388 30 E HA 0.397 4.748 4.350 0.001 0.000 0.280 30 E C -1.711 174.966 176.600 0.128 0.000 1.019 30 E CA -0.882 55.571 56.400 0.090 0.000 0.806 30 E CB 1.611 31.346 29.700 0.058 0.000 1.246 30 E HN 0.303 nan 8.360 nan 0.000 0.443 31 F N 1.603 121.558 119.950 0.008 0.000 2.404 31 F HA 0.508 5.036 4.527 0.001 0.000 0.345 31 F C 1.026 176.829 175.800 0.006 0.000 1.110 31 F CA 1.126 59.130 58.000 0.008 0.000 1.130 31 F CB 1.390 40.395 39.000 0.008 0.000 1.129 31 F HN 0.817 nan 8.300 nan 0.000 0.500 32 G N 4.372 112.782 108.800 -0.649 0.000 2.326 32 G HA2 0.110 4.071 3.960 0.001 0.000 0.286 32 G HA3 0.110 4.071 3.960 0.001 0.000 0.286 32 G C -0.455 174.327 174.900 -0.197 0.000 1.096 32 G CA -0.066 44.740 45.100 -0.490 0.000 1.003 32 G HN 1.181 nan 8.290 nan 0.000 0.503 33 A N -0.136 122.586 122.820 -0.162 0.000 2.306 33 A HA 0.797 5.118 4.320 0.001 0.000 0.330 33 A C 0.563 178.095 177.584 -0.086 0.000 1.146 33 A CA -0.385 51.599 52.037 -0.089 0.000 0.827 33 A CB 0.673 19.639 19.000 -0.057 0.000 1.178 33 A HN 0.598 nan 8.150 nan 0.000 0.490 34 E N 1.962 122.127 120.200 -0.059 0.000 2.900 34 E HA -0.039 4.312 4.350 0.001 0.000 0.259 34 E C -2.050 174.519 176.600 -0.052 0.000 0.918 34 E CA -0.460 55.910 56.400 -0.050 0.000 0.960 34 E CB -0.027 29.652 29.700 -0.034 0.000 0.908 34 E HN 0.346 nan 8.360 nan 0.000 0.511 35 P HA -0.142 nan 4.420 nan 0.000 0.265 35 P C -0.700 176.577 177.300 -0.039 0.000 1.187 35 P CA 0.167 63.237 63.100 -0.051 0.000 0.766 35 P CB 0.376 32.047 31.700 -0.049 0.000 0.820 36 N N 0.257 118.936 118.700 -0.036 0.000 2.629 36 N HA -0.175 4.566 4.740 0.001 0.000 0.278 36 N C 0.639 176.134 175.510 -0.025 0.000 1.102 36 N CA 1.152 54.185 53.050 -0.027 0.000 0.759 36 N CB -1.315 37.157 38.487 -0.025 0.000 0.911 36 N HN 0.568 nan 8.380 nan 0.000 0.553 37 T N -0.985 113.554 114.554 -0.025 0.000 3.280 37 T HA 0.086 4.437 4.350 0.001 0.000 0.256 37 T C 0.246 174.936 174.700 -0.016 0.000 0.995 37 T CA 0.130 62.216 62.100 -0.022 0.000 1.144 37 T CB 0.330 69.182 68.868 -0.027 0.000 1.140 37 T HN 0.307 nan 8.240 nan 0.000 0.423 38 N N 2.300 120.991 118.700 -0.016 0.000 3.034 38 N HA 0.411 5.151 4.740 0.001 0.000 0.265 38 N C -1.135 174.369 175.510 -0.010 0.000 1.166 38 N CA 0.132 53.176 53.050 -0.010 0.000 1.081 38 N CB 1.455 39.938 38.487 -0.007 0.000 1.378 38 N HN 0.197 nan 8.380 nan 0.000 0.520 39 V N 0.752 120.660 119.914 -0.010 0.000 3.007 39 V HA 0.646 4.767 4.120 0.001 0.000 0.311 39 V C -0.579 175.510 176.094 -0.009 0.000 1.120 39 V CA -0.590 61.704 62.300 -0.010 0.000 0.980 39 V CB 2.356 34.170 31.823 -0.014 0.000 1.033 39 V HN 0.733 nan 8.190 nan 0.000 0.429 40 C N 3.292 122.587 119.300 -0.008 0.000 3.332 40 C HA 0.661 5.122 4.460 0.001 0.000 0.329 40 C C -2.190 172.794 174.990 -0.010 0.000 1.434 40 C CA -1.099 57.915 59.018 -0.007 0.000 1.314 40 C CB 0.973 28.711 27.740 -0.003 0.000 1.664 40 C HN 0.597 nan 8.230 nan 0.000 0.457 41 P HA -0.107 nan 4.420 nan 0.000 0.216 41 P C 1.742 179.031 177.300 -0.017 0.000 1.153 41 P CA 1.858 64.950 63.100 -0.013 0.000 0.858 41 P CB 0.050 31.745 31.700 -0.009 0.000 0.789 42 V N 0.442 120.350 119.914 -0.011 0.000 2.237 42 V HA -0.289 3.832 4.120 0.001 0.000 0.245 42 V C 2.631 178.714 176.094 -0.018 0.000 1.046 42 V CA 2.416 64.710 62.300 -0.011 0.000 1.007 42 V CB -1.751 30.078 31.823 0.011 0.000 0.638 42 V HN 0.312 nan 8.190 nan 0.000 0.445 43 C N -1.031 118.265 119.300 -0.006 0.000 2.539 43 C HA 0.214 4.675 4.460 0.001 0.000 0.268 43 C C 2.244 177.217 174.990 -0.029 0.000 1.395 43 C CA -0.153 58.861 59.018 -0.007 0.000 1.757 43 C CB -1.595 26.149 27.740 0.007 0.000 1.851 43 C HN 0.507 nan 8.230 nan 0.000 0.545 44 L N 1.508 122.712 121.223 -0.031 0.000 2.599 44 L HA 0.259 4.600 4.340 0.001 0.000 0.230 44 L C 1.924 178.762 176.870 -0.054 0.000 1.141 44 L CA 0.965 55.783 54.840 -0.036 0.000 0.877 44 L CB -0.618 41.426 42.059 -0.026 0.000 1.009 44 L HN 0.589 nan 8.230 nan 0.000 0.447 45 G N 0.866 109.622 108.800 -0.073 0.000 2.298 45 G HA2 -0.312 3.649 3.960 0.001 0.000 0.287 45 G HA3 -0.312 3.649 3.960 0.001 0.000 0.287 45 G C 0.069 174.930 174.900 -0.065 0.000 1.075 45 G CA 0.016 45.055 45.100 -0.102 0.000 0.960 45 G HN 0.224 nan 8.290 nan 0.000 0.502 46 M N 0.312 119.886 119.600 -0.044 0.000 2.342 46 M HA 0.403 4.884 4.480 0.001 0.000 0.332 46 M C -1.756 174.533 176.300 -0.017 0.000 1.166 46 M CA -1.943 53.342 55.300 -0.025 0.000 1.086 46 M CB 0.897 33.486 32.600 -0.019 0.000 1.541 46 M HN -0.004 nan 8.290 nan 0.000 0.462 47 P HA 0.169 nan 4.420 nan 0.000 0.268 47 P C 0.379 177.680 177.300 0.001 0.000 1.204 47 P CA 0.428 63.530 63.100 0.002 0.000 0.768 47 P CB 0.467 32.171 31.700 0.007 0.000 0.842 48 G N 1.300 110.103 108.800 0.005 0.000 2.176 48 G HA2 -0.047 3.914 3.960 0.001 0.000 0.232 48 G HA3 -0.047 3.914 3.960 0.001 0.000 0.232 48 G C 0.222 175.122 174.900 -0.001 0.000 0.986 48 G CA -0.083 45.019 45.100 0.004 0.000 0.643 48 G HN 0.867 nan 8.290 nan 0.000 0.522 49 A N 0.355 123.171 122.820 -0.007 0.000 2.292 49 A HA 0.842 5.162 4.320 0.001 0.000 0.319 49 A C 0.062 177.634 177.584 -0.019 0.000 1.206 49 A CA -0.382 51.647 52.037 -0.013 0.000 0.835 49 A CB 0.728 19.717 19.000 -0.018 0.000 1.164 49 A HN 0.778 nan 8.150 nan 0.000 0.505 50 L N 3.905 125.115 121.223 -0.021 0.000 2.334 50 L HA 0.537 4.877 4.340 0.001 0.000 0.276 50 L C -2.166 174.675 176.870 -0.047 0.000 1.014 50 L CA -2.084 52.735 54.840 -0.036 0.000 0.815 50 L CB 2.240 44.283 42.059 -0.027 0.000 1.268 50 L HN 0.515 nan 8.230 nan 0.000 0.428 51 P HA 0.444 nan 4.420 nan 0.000 0.282 51 P C -1.100 176.173 177.300 -0.045 0.000 1.249 51 P CA -0.306 62.719 63.100 -0.125 0.000 0.806 51 P CB 1.617 33.017 31.700 -0.500 0.000 0.984 52 I N 2.044 122.673 120.570 0.099 0.000 2.478 52 I HA 0.171 4.342 4.170 0.001 0.000 0.287 52 I C -0.003 176.229 176.117 0.191 0.000 1.042 52 I CA -0.985 60.378 61.300 0.104 0.000 1.067 52 I CB 2.049 40.082 38.000 0.055 0.000 1.233 52 I HN 0.031 nan 8.210 nan 0.000 0.431 53 V N 5.379 125.391 119.914 0.164 0.000 2.585 53 V HA 0.017 4.137 4.120 0.001 0.000 0.296 53 V C 0.743 176.850 176.094 0.020 0.000 1.035 53 V CA -0.183 62.183 62.300 0.110 0.000 1.084 53 V CB 0.486 32.394 31.823 0.141 0.000 0.953 53 V HN 0.726 nan 8.190 nan 0.000 0.483 54 N N 4.364 123.013 118.700 -0.085 0.000 2.416 54 N HA 0.020 4.761 4.740 0.001 0.000 0.265 54 N C 1.029 176.542 175.510 0.004 0.000 1.195 54 N CA 0.227 53.236 53.050 -0.069 0.000 0.943 54 N CB 0.657 39.058 38.487 -0.145 0.000 1.115 54 N HN 0.747 nan 8.380 nan 0.000 0.481 55 K N 3.861 124.281 120.400 0.033 0.000 2.057 55 K HA -0.159 4.161 4.320 0.001 0.000 0.207 55 K C 1.837 178.515 176.600 0.130 0.000 1.049 55 K CA 1.101 57.452 56.287 0.106 0.000 0.931 55 K CB 0.100 32.630 32.500 0.050 0.000 0.714 55 K HN 0.502 nan 8.250 nan 0.000 0.440 56 R N 0.022 120.516 120.500 -0.009 0.000 2.075 56 R HA -0.064 4.277 4.340 0.001 0.000 0.232 56 R C 2.147 178.296 176.300 -0.251 0.000 1.126 56 R CA 1.263 57.276 56.100 -0.144 0.000 0.963 56 R CB -0.316 29.808 30.300 -0.293 0.000 0.858 56 R HN 0.264 nan 8.270 nan 0.000 0.435 57 A N 0.368 123.075 122.820 -0.188 0.000 1.917 57 A HA -0.151 4.170 4.320 0.001 0.000 0.219 57 A C 2.220 179.815 177.584 0.018 0.000 1.182 57 A CA 1.903 53.873 52.037 -0.111 0.000 0.633 57 A CB -0.638 18.301 19.000 -0.102 0.000 0.819 57 A HN 0.242 nan 8.150 nan 0.000 0.448 58 V N -0.041 119.926 119.914 0.088 0.000 2.427 58 V HA -0.248 3.872 4.120 0.001 0.000 0.248 58 V C 2.471 178.576 176.094 0.018 0.000 1.051 58 V CA 2.171 64.553 62.300 0.138 0.000 1.048 58 V CB -0.776 31.230 31.823 0.305 0.000 0.666 58 V HN 0.792 nan 8.190 nan 0.000 0.456 59 E N -0.204 120.055 120.200 0.098 0.000 2.023 59 E HA -0.261 4.090 4.350 0.001 0.000 0.196 59 E C 2.318 178.978 176.600 0.100 0.000 1.003 59 E CA 1.874 58.292 56.400 0.029 0.000 0.809 59 E CB -0.265 29.592 29.700 0.263 0.000 0.755 59 E HN 0.588 nan 8.360 nan 0.000 0.449 60 Y N 0.231 120.510 120.300 -0.034 0.000 2.193 60 Y HA -0.180 4.371 4.550 0.001 0.000 0.285 60 Y C 2.389 178.250 175.900 -0.066 0.000 1.166 60 Y CA 0.985 59.060 58.100 -0.041 0.000 1.181 60 Y CB -1.185 37.268 38.460 -0.012 0.000 0.976 60 Y HN 0.220 nan 8.280 nan 0.000 0.520 61 A N -0.410 122.472 122.820 0.104 0.000 2.014 61 A HA -0.078 4.243 4.320 0.001 0.000 0.218 61 A C 2.309 179.863 177.584 -0.049 0.000 1.163 61 A CA 1.292 53.345 52.037 0.027 0.000 0.652 61 A CB -0.893 18.131 19.000 0.040 0.000 0.808 61 A HN 0.434 nan 8.150 nan 0.000 0.449 62 I N -1.192 119.310 120.570 -0.114 0.000 2.277 62 I HA -0.157 4.014 4.170 0.001 0.000 0.243 62 I C 2.563 178.580 176.117 -0.167 0.000 1.094 62 I CA 1.338 62.524 61.300 -0.190 0.000 1.393 62 I CB -0.309 37.472 38.000 -0.365 0.000 1.078 62 I HN 0.333 nan 8.210 nan 0.000 0.417 63 R N 1.591 122.005 120.500 -0.143 0.000 2.096 63 R HA -0.243 4.098 4.340 0.001 0.000 0.240 63 R C 2.320 178.549 176.300 -0.118 0.000 1.139 63 R CA 2.033 58.060 56.100 -0.122 0.000 0.952 63 R CB -0.357 29.882 30.300 -0.101 0.000 0.854 63 R HN 0.374 nan 8.270 nan 0.000 0.436 64 A N -0.191 122.571 122.820 -0.098 0.000 1.902 64 A HA -0.120 4.201 4.320 0.001 0.000 0.217 64 A C 2.230 179.746 177.584 -0.114 0.000 1.181 64 A CA 1.875 53.853 52.037 -0.098 0.000 0.623 64 A CB -0.587 18.374 19.000 -0.065 0.000 0.818 64 A HN 0.461 nan 8.150 nan 0.000 0.443 65 S N -0.128 115.506 115.700 -0.110 0.000 2.368 65 S HA -0.087 4.384 4.470 0.001 0.000 0.225 65 S C 1.803 176.307 174.600 -0.160 0.000 1.030 65 S CA 1.470 59.598 58.200 -0.120 0.000 0.999 65 S CB -0.425 62.713 63.200 -0.104 0.000 0.844 65 S HN 0.512 nan 8.310 nan 0.000 0.459 66 L N 1.000 122.125 121.223 -0.163 0.000 2.109 66 L HA -0.038 4.303 4.340 0.001 0.000 0.207 66 L C 2.735 179.479 176.870 -0.210 0.000 1.086 66 L CA 1.038 55.770 54.840 -0.180 0.000 0.760 66 L CB -0.654 41.315 42.059 -0.150 0.000 0.910 66 L HN 0.305 nan 8.230 nan 0.000 0.437 67 A N 0.126 122.836 122.820 -0.183 0.000 2.019 67 A HA -0.089 4.231 4.320 0.001 0.000 0.219 67 A C 1.927 179.359 177.584 -0.254 0.000 1.164 67 A CA 1.245 53.167 52.037 -0.191 0.000 0.644 67 A CB -0.524 18.387 19.000 -0.147 0.000 0.805 67 A HN 0.449 nan 8.150 nan 0.000 0.449 68 L N -0.967 120.098 121.223 -0.263 0.000 2.741 68 L HA 0.186 4.526 4.340 0.001 0.000 0.237 68 L C -0.061 176.518 176.870 -0.486 0.000 1.178 68 L CA -0.286 54.366 54.840 -0.313 0.000 0.973 68 L CB -0.354 41.594 42.059 -0.185 0.000 1.255 68 L HN 0.301 nan 8.230 nan 0.000 0.498 69 N N -0.861 117.508 118.700 -0.551 0.000 2.747 69 N HA -0.169 4.572 4.740 0.001 0.000 0.249 69 N C -0.193 175.042 175.510 -0.457 0.000 1.107 69 N CA 0.584 53.174 53.050 -0.766 0.000 0.707 69 N CB -1.790 35.529 38.487 -1.947 0.000 1.054 69 N HN 0.332 nan 8.380 nan 0.000 0.555 70 C N 0.798 119.942 119.300 -0.260 0.000 2.398 70 C HA 0.309 4.770 4.460 0.001 0.000 0.364 70 C C 1.422 176.330 174.990 -0.137 0.000 1.219 70 C CA -0.754 58.182 59.018 -0.137 0.000 2.312 70 C CB 1.242 28.917 27.740 -0.108 0.000 2.428 70 C HN 0.346 nan 8.230 nan 0.000 0.564 71 E N 1.119 121.243 120.200 -0.126 0.000 2.265 71 E HA 0.286 4.636 4.350 0.001 0.000 0.272 71 E C -0.852 175.535 176.600 -0.354 0.000 1.067 71 E CA 0.045 56.310 56.400 -0.225 0.000 0.900 71 E CB 0.405 29.958 29.700 -0.245 0.000 1.017 71 E HN 0.430 nan 8.360 nan 0.000 0.431 72 V N 7.065 126.811 119.914 -0.280 0.000 2.385 72 V HA 0.104 4.225 4.120 0.001 0.000 0.269 72 V C 0.087 176.026 176.094 -0.258 0.000 1.043 72 V CA -0.613 61.549 62.300 -0.230 0.000 0.906 72 V CB 0.508 32.243 31.823 -0.147 0.000 0.995 72 V HN 0.698 nan 8.190 nan 0.000 0.467 73 H N 4.483 123.534 119.070 -0.032 0.000 2.767 73 H HA 0.076 4.632 4.556 0.001 0.000 0.316 73 H C 1.159 176.479 175.328 -0.013 0.000 1.059 73 H CA 0.026 56.061 56.048 -0.022 0.000 1.461 73 H CB 1.349 31.095 29.762 -0.028 0.000 1.475 73 H HN 0.814 nan 8.280 nan 0.000 0.531 74 E N 3.007 123.270 120.200 0.104 0.000 2.204 74 E HA -0.154 4.197 4.350 0.001 0.000 0.195 74 E C -0.095 176.554 176.600 0.082 0.000 0.990 74 E CA 0.978 57.425 56.400 0.080 0.000 0.821 74 E CB 0.410 30.151 29.700 0.068 0.000 0.750 74 E HN 0.638 nan 8.360 nan 0.000 0.477 75 E N 0.673 120.918 120.200 0.076 0.000 2.199 75 E HA 0.251 4.602 4.350 0.001 0.000 0.265 75 E C -1.536 175.066 176.600 0.003 0.000 0.882 75 E CA -0.512 55.913 56.400 0.041 0.000 0.759 75 E CB 1.662 31.380 29.700 0.030 0.000 1.148 75 E HN 0.200 nan 8.360 nan 0.000 0.412 76 S N 1.373 117.051 115.700 -0.036 0.000 2.564 76 S HA 0.653 5.124 4.470 0.001 0.000 0.274 76 S C -0.976 173.521 174.600 -0.173 0.000 1.124 76 S CA -0.791 57.341 58.200 -0.112 0.000 0.869 76 S CB 1.833 64.957 63.200 -0.127 0.000 1.105 76 S HN 0.183 nan 8.310 nan 0.000 0.472 77 V N 2.144 121.943 119.914 -0.192 0.000 2.540 77 V HA 0.485 4.605 4.120 0.001 0.000 0.302 77 V C -0.990 174.991 176.094 -0.188 0.000 1.035 77 V CA -0.721 61.491 62.300 -0.146 0.000 0.873 77 V CB 1.102 32.893 31.823 -0.052 0.000 0.992 77 V HN 0.892 nan 8.190 nan 0.000 0.428 78 F N 3.211 123.177 119.950 0.026 0.000 2.504 78 F HA 0.555 5.082 4.527 0.001 0.000 0.369 78 F C 0.872 176.642 175.800 -0.049 0.000 1.082 78 F CA 0.293 58.309 58.000 0.026 0.000 1.216 78 F CB 0.789 39.817 39.000 0.047 0.000 1.108 78 F HN 0.609 nan 8.300 nan 0.000 0.554 79 A N 4.970 127.871 122.820 0.136 0.000 2.322 79 A HA 0.753 5.074 4.320 0.001 0.000 0.327 79 A C -0.320 177.243 177.584 -0.035 0.000 1.134 79 A CA -0.991 51.064 52.037 0.031 0.000 0.831 79 A CB 1.034 20.120 19.000 0.145 0.000 1.288 79 A HN 0.767 nan 8.150 nan 0.000 0.472 80 R N 1.020 121.397 120.500 -0.205 0.000 2.229 80 R HA 0.311 4.652 4.340 0.001 0.000 0.328 80 R C -0.564 175.545 176.300 -0.318 0.000 1.009 80 R CA -0.347 55.528 56.100 -0.375 0.000 0.864 80 R CB 1.231 31.061 30.300 -0.783 0.000 1.085 80 R HN 0.632 nan 8.270 nan 0.000 0.453 81 K N 3.472 123.697 120.400 -0.292 0.000 2.316 81 K HA 0.174 4.495 4.320 0.001 0.000 0.267 81 K C -1.041 175.436 176.600 -0.204 0.000 1.025 81 K CA -0.637 55.427 56.287 -0.372 0.000 0.896 81 K CB 0.606 32.921 32.500 -0.309 0.000 1.124 81 K HN 0.578 nan 8.250 nan 0.000 0.451 82 H N 3.349 122.443 119.070 0.039 0.000 2.620 82 H HA 0.262 4.818 4.556 0.001 0.000 0.313 82 H C -1.004 174.473 175.328 0.248 0.000 1.075 82 H CA 0.152 56.245 56.048 0.074 0.000 1.397 82 H CB 0.547 30.317 29.762 0.013 0.000 1.446 82 H HN 0.522 nan 8.280 nan 0.000 0.493 83 Y N 0.192 120.524 120.300 0.053 0.000 2.662 83 Y HA 0.411 4.962 4.550 0.001 0.000 0.334 83 Y C -2.183 173.676 175.900 -0.070 0.000 1.185 83 Y CA -1.758 56.378 58.100 0.060 0.000 1.074 83 Y CB 0.547 39.111 38.460 0.173 0.000 1.330 83 Y HN 0.332 nan 8.280 nan 0.000 0.458 84 F N 3.239 123.358 119.950 0.282 0.000 2.361 84 F HA 0.614 5.142 4.527 0.001 0.000 0.364 84 F C -0.871 175.133 175.800 0.340 0.000 1.120 84 F CA -0.417 57.698 58.000 0.192 0.000 1.102 84 F CB 0.888 39.972 39.000 0.141 0.000 1.183 84 F HN 0.562 nan 8.300 nan 0.000 0.476 85 Y N 4.571 124.998 120.300 0.212 0.000 2.521 85 Y HA 0.284 4.835 4.550 0.001 0.000 0.328 85 Y C -2.176 173.785 175.900 0.101 0.000 1.151 85 Y CA -2.163 56.055 58.100 0.197 0.000 1.054 85 Y CB 2.084 40.724 38.460 0.299 0.000 1.338 85 Y HN 0.227 nan 8.280 nan 0.000 0.453 86 P HA -0.124 nan 4.420 nan 0.000 0.219 86 P C 0.461 177.758 177.300 -0.005 0.000 1.146 86 P CA 1.914 64.954 63.100 -0.100 0.000 0.808 86 P CB 0.281 31.852 31.700 -0.215 0.000 0.779 87 D N -1.852 118.617 120.400 0.114 0.000 2.328 87 D HA 0.026 4.667 4.640 0.001 0.000 0.221 87 D C 0.168 176.524 176.300 0.093 0.000 1.072 87 D CA -0.020 54.056 54.000 0.128 0.000 0.850 87 D CB -0.501 40.413 40.800 0.190 0.000 0.922 87 D HN 0.110 nan 8.370 nan 0.000 0.516 88 L N 1.874 123.131 121.223 0.056 0.000 2.335 88 L HA 0.343 4.684 4.340 0.001 0.000 0.268 88 L C -1.790 174.993 176.870 -0.146 0.000 1.037 88 L CA -1.948 52.838 54.840 -0.091 0.000 0.895 88 L CB 1.648 43.546 42.059 -0.269 0.000 1.266 88 L HN -0.294 nan 8.230 nan 0.000 0.439 89 P HA -0.167 nan 4.420 nan 0.000 0.217 89 P C 0.766 177.945 177.300 -0.203 0.000 1.150 89 P CA 1.406 64.429 63.100 -0.129 0.000 0.832 89 P CB 0.302 31.940 31.700 -0.104 0.000 0.787 90 K N -1.634 118.555 120.400 -0.351 0.000 2.365 90 K HA 0.164 4.485 4.320 0.001 0.000 0.197 90 K C 1.362 177.646 176.600 -0.526 0.000 1.042 90 K CA 0.720 56.682 56.287 -0.542 0.000 0.987 90 K CB -0.318 31.562 32.500 -1.035 0.000 0.779 90 K HN 0.176 nan 8.250 nan 0.000 0.484 91 G N 1.315 109.836 108.800 -0.465 0.000 2.159 91 G HA2 -0.291 3.670 3.960 0.001 0.000 0.256 91 G HA3 -0.291 3.670 3.960 0.001 0.000 0.256 91 G C -0.202 174.431 174.900 -0.445 0.000 0.977 91 G CA 0.853 45.645 45.100 -0.512 0.000 0.652 91 G HN 0.472 nan 8.290 nan 0.000 0.531 92 Y N -2.459 117.594 120.300 -0.411 0.000 2.581 92 Y HA 0.795 5.346 4.550 0.001 0.000 0.337 92 Y C -0.561 175.126 175.900 -0.354 0.000 1.108 92 Y CA -1.366 56.457 58.100 -0.461 0.000 1.033 92 Y CB 1.039 39.139 38.460 -0.601 0.000 1.318 92 Y HN 0.196 nan 8.280 nan 0.000 0.459 93 Q N 2.731 122.505 119.800 -0.043 0.000 2.256 93 Q HA 0.541 4.882 4.340 0.001 0.000 0.257 93 Q C -1.286 174.813 176.000 0.166 0.000 0.936 93 Q CA -0.885 54.950 55.803 0.053 0.000 0.903 93 Q CB 1.356 30.172 28.738 0.130 0.000 1.263 93 Q HN 0.837 nan 8.270 nan 0.000 0.440 94 I N 3.747 124.438 120.570 0.202 0.000 2.322 94 I HA 0.113 4.284 4.170 0.001 0.000 0.292 94 I C 0.422 176.736 176.117 0.327 0.000 1.060 94 I CA 0.113 61.532 61.300 0.199 0.000 1.309 94 I CB 0.608 38.634 38.000 0.043 0.000 1.415 94 I HN 0.703 nan 8.210 nan 0.000 0.492 95 S N 5.199 121.078 115.700 0.299 0.000 4.199 95 S HA 0.610 5.081 4.470 0.001 0.000 0.257 95 S C -0.615 174.138 174.600 0.255 0.000 1.079 95 S CA -0.820 57.593 58.200 0.355 0.000 1.498 95 S CB 1.344 64.715 63.200 0.284 0.000 1.260 95 S HN 0.568 nan 8.310 nan 0.000 0.749 96 Q N -1.145 118.646 119.800 -0.016 0.000 2.456 96 Q HA 0.584 4.925 4.340 0.001 0.000 0.284 96 Q C -1.525 174.323 176.000 -0.253 0.000 1.061 96 Q CA -0.728 54.994 55.803 -0.134 0.000 0.799 96 Q CB 1.994 30.635 28.738 -0.162 0.000 1.445 96 Q HN 0.633 nan 8.270 nan 0.000 0.411 97 Y N 1.144 121.258 120.300 -0.310 0.000 2.915 97 Y HA 0.184 4.734 4.550 0.001 0.000 0.244 97 Y C -0.407 175.316 175.900 -0.296 0.000 1.600 97 Y CA -0.413 57.448 58.100 -0.399 0.000 1.161 97 Y CB -0.115 38.072 38.460 -0.455 0.000 1.151 97 Y HN 0.748 nan 8.280 nan 0.000 0.603 98 E N 2.803 122.627 120.200 -0.627 0.000 2.568 98 E HA 0.028 4.378 4.350 0.001 0.000 0.262 98 E C -0.939 175.536 176.600 -0.208 0.000 0.961 98 E CA 0.536 56.697 56.400 -0.400 0.000 0.945 98 E CB -0.050 29.429 29.700 -0.367 0.000 0.924 98 E HN 0.370 nan 8.360 nan 0.000 0.467 99 K N 1.364 121.632 120.400 -0.220 0.000 3.898 99 K HA -0.104 4.216 4.320 0.001 0.000 0.282 99 K C -2.419 174.078 176.600 -0.172 0.000 1.014 99 K CA 0.562 56.728 56.287 -0.201 0.000 0.848 99 K CB -1.210 31.204 32.500 -0.143 0.000 1.469 99 K HN 0.630 nan 8.250 nan 0.000 0.446 100 P HA 0.155 nan 4.420 nan 0.000 0.289 100 P C 0.642 177.944 177.300 0.003 0.000 1.300 100 P CA -0.815 62.250 63.100 -0.058 0.000 0.828 100 P CB 0.796 32.512 31.700 0.027 0.000 1.235 101 L N -0.339 120.913 121.223 0.048 0.000 2.093 101 L HA 0.196 4.537 4.340 0.001 0.000 0.208 101 L C 0.565 177.519 176.870 0.140 0.000 1.085 101 L CA 1.833 56.703 54.840 0.051 0.000 0.755 101 L CB -0.831 41.238 42.059 0.016 0.000 0.904 101 L HN 0.558 nan 8.230 nan 0.000 0.435 102 A N -2.498 120.419 122.820 0.161 0.000 2.604 102 A HA 0.721 5.041 4.320 0.001 0.000 0.295 102 A C -0.621 177.035 177.584 0.120 0.000 1.067 102 A CA -0.270 51.824 52.037 0.096 0.000 0.683 102 A CB 1.137 20.124 19.000 -0.021 0.000 1.281 102 A HN 0.009 nan 8.150 nan 0.000 0.407 103 T N 0.330 114.932 114.554 0.080 0.000 2.821 103 T HA 0.544 4.895 4.350 0.001 0.000 0.306 103 T C -0.608 174.131 174.700 0.065 0.000 1.313 103 T CA -0.144 62.031 62.100 0.124 0.000 1.012 103 T CB 1.126 70.170 68.868 0.293 0.000 1.298 103 T HN 1.190 nan 8.240 nan 0.000 0.502 104 N N 0.040 118.789 118.700 0.081 0.000 2.708 104 N HA -0.111 4.629 4.740 0.001 0.000 0.255 104 N C -0.006 175.595 175.510 0.150 0.000 1.046 104 N CA 0.721 53.833 53.050 0.103 0.000 0.715 104 N CB -0.730 37.815 38.487 0.096 0.000 0.895 104 N HN 0.846 nan 8.380 nan 0.000 0.545 105 G N -0.606 108.273 108.800 0.132 0.000 2.887 105 G HA2 0.801 4.762 3.960 0.001 0.000 0.277 105 G HA3 0.801 4.762 3.960 0.001 0.000 0.277 105 G C -0.951 174.126 174.900 0.295 0.000 1.346 105 G CA -0.410 44.754 45.100 0.108 0.000 1.058 105 G HN 0.450 nan 8.290 nan 0.000 0.535 106 W N -1.795 119.513 121.300 0.012 0.000 3.419 106 W HA 0.627 5.288 4.660 0.001 0.000 0.298 106 W C -2.024 174.515 176.519 0.034 0.000 1.260 106 W CA -1.267 56.096 57.345 0.029 0.000 1.199 106 W CB 0.891 30.358 29.460 0.011 0.000 1.349 106 W HN 0.413 nan 8.180 nan 0.000 0.557 107 V N 2.405 122.492 119.914 0.288 0.000 2.555 107 V HA 0.407 4.527 4.120 0.001 0.000 0.302 107 V C -0.430 175.814 176.094 0.250 0.000 1.038 107 V CA -0.884 61.514 62.300 0.164 0.000 0.887 107 V CB 1.573 33.480 31.823 0.139 0.000 0.991 107 V HN 0.662 nan 8.190 nan 0.000 0.434 108 E N 3.092 123.388 120.200 0.161 0.000 2.174 108 E HA 0.483 4.834 4.350 0.001 0.000 0.282 108 E C -1.659 174.957 176.600 0.027 0.000 0.992 108 E CA -0.765 55.709 56.400 0.122 0.000 0.803 108 E CB 1.424 31.196 29.700 0.119 0.000 1.090 108 E HN 0.394 nan 8.360 nan 0.000 0.396 109 L N 4.618 125.860 121.223 0.031 0.000 2.282 109 L HA 0.293 4.634 4.340 0.001 0.000 0.288 109 L C -0.131 176.714 176.870 -0.042 0.000 1.033 109 L CA -0.376 54.460 54.840 -0.008 0.000 0.807 109 L CB 1.285 43.364 42.059 0.033 0.000 1.209 109 L HN 0.490 nan 8.230 nan 0.000 0.423 110 N N 5.289 123.938 118.700 -0.084 0.000 2.414 110 N HA 0.400 5.141 4.740 0.001 0.000 0.256 110 N C -0.822 174.647 175.510 -0.068 0.000 1.029 110 N CA -0.352 52.640 53.050 -0.096 0.000 0.948 110 N CB 1.497 39.882 38.487 -0.170 0.000 1.102 110 N HN 0.407 nan 8.380 nan 0.000 0.496 111 L N 2.872 124.068 121.223 -0.045 0.000 2.352 111 L HA 0.392 4.733 4.340 0.001 0.000 0.269 111 L C -1.188 175.668 176.870 -0.022 0.000 1.034 111 L CA -1.887 52.935 54.840 -0.029 0.000 0.806 111 L CB 1.039 43.087 42.059 -0.019 0.000 1.244 111 L HN 0.209 nan 8.230 nan 0.000 0.447 112 P HA -0.114 nan 4.420 nan 0.000 0.216 112 P C -0.035 177.264 177.300 -0.001 0.000 1.150 112 P CA 1.337 64.435 63.100 -0.005 0.000 0.837 112 P CB 0.152 31.851 31.700 -0.002 0.000 0.786 113 N N -0.642 118.055 118.700 -0.004 0.000 3.112 113 N HA 0.426 5.166 4.740 0.001 0.000 0.270 113 N C 0.441 175.949 175.510 -0.003 0.000 1.385 113 N CA 0.271 53.320 53.050 -0.002 0.000 0.986 113 N CB 0.371 38.856 38.487 -0.003 0.000 1.261 113 N HN 0.056 nan 8.380 nan 0.000 0.495 114 G N 0.805 109.605 108.800 -0.001 0.000 2.603 114 G HA2 -0.259 3.702 3.960 0.001 0.000 0.245 114 G HA3 -0.259 3.702 3.960 0.001 0.000 0.245 114 G C -0.003 174.893 174.900 -0.006 0.000 1.195 114 G CA 0.023 45.122 45.100 -0.002 0.000 0.953 114 G HN 0.427 nan 8.290 nan 0.000 0.566 115 E N -0.206 119.987 120.200 -0.012 0.000 4.072 115 E HA 0.505 4.856 4.350 0.001 0.000 0.247 115 E C -0.293 176.292 176.600 -0.026 0.000 1.033 115 E CA -0.571 55.818 56.400 -0.019 0.000 1.019 115 E CB 0.757 30.449 29.700 -0.012 0.000 2.662 115 E HN 0.342 nan 8.360 nan 0.000 0.514 116 K N 1.072 121.459 120.400 -0.022 0.000 2.443 116 K HA 0.431 4.752 4.320 0.001 0.000 0.252 116 K C -1.028 175.562 176.600 -0.016 0.000 0.933 116 K CA -0.523 55.750 56.287 -0.023 0.000 0.792 116 K CB 2.622 35.108 32.500 -0.023 0.000 1.185 116 K HN 0.055 nan 8.250 nan 0.000 0.425 117 K N 2.384 122.780 120.400 -0.007 0.000 2.509 117 K HA 0.413 4.733 4.320 0.001 0.000 0.266 117 K C -1.469 175.147 176.600 0.026 0.000 0.987 117 K CA -0.810 55.477 56.287 -0.001 0.000 0.868 117 K CB 2.034 34.534 32.500 -0.001 0.000 1.421 117 K HN 0.387 nan 8.250 nan 0.000 0.444 118 K N 1.269 121.682 120.400 0.022 0.000 2.207 118 K HA 0.492 4.812 4.320 0.001 0.000 0.255 118 K C -1.325 175.320 176.600 0.074 0.000 0.941 118 K CA -0.850 55.477 56.287 0.066 0.000 0.825 118 K CB 2.191 34.692 32.500 0.002 0.000 1.119 118 K HN 0.291 nan 8.250 nan 0.000 0.430 119 V N 2.957 122.956 119.914 0.142 0.000 2.540 119 V HA 0.433 4.554 4.120 0.001 0.000 0.302 119 V C -0.364 175.823 176.094 0.154 0.000 1.035 119 V CA -1.058 61.289 62.300 0.080 0.000 0.873 119 V CB 1.684 33.483 31.823 -0.039 0.000 0.992 119 V HN 0.685 nan 8.190 nan 0.000 0.428 120 R N 3.681 124.237 120.500 0.092 0.000 2.390 120 R HA 0.473 4.814 4.340 0.001 0.000 0.291 120 R C -0.703 175.650 176.300 0.089 0.000 1.070 120 R CA -0.695 55.488 56.100 0.138 0.000 1.014 120 R CB 0.819 31.177 30.300 0.095 0.000 1.007 120 R HN 0.464 nan 8.270 nan 0.000 0.466 121 I N 4.005 124.651 120.570 0.127 0.000 2.379 121 I HA 0.020 4.190 4.170 0.001 0.000 0.290 121 I C 1.718 177.867 176.117 0.054 0.000 1.063 121 I CA 0.252 61.599 61.300 0.077 0.000 1.351 121 I CB 0.862 38.902 38.000 0.066 0.000 1.410 121 I HN 0.688 nan 8.210 nan 0.000 0.505 122 R N 7.249 127.763 120.500 0.024 0.000 2.093 122 R HA 0.056 4.397 4.340 0.001 0.000 0.224 122 R C 0.071 176.389 176.300 0.029 0.000 1.101 122 R CA 0.863 56.974 56.100 0.019 0.000 0.979 122 R CB 0.466 30.763 30.300 -0.005 0.000 0.877 122 R HN 0.757 nan 8.270 nan 0.000 0.441 123 R N -0.657 119.857 120.500 0.023 0.000 2.664 123 R HA 0.326 4.666 4.340 0.001 0.000 0.266 123 R C -1.890 174.407 176.300 -0.005 0.000 1.046 123 R CA -0.873 55.250 56.100 0.038 0.000 0.885 123 R CB 0.840 31.188 30.300 0.081 0.000 1.254 123 R HN 0.069 nan 8.270 nan 0.000 0.465 124 L N 3.315 124.538 121.223 0.001 0.000 2.372 124 L HA 0.528 4.868 4.340 0.001 0.000 0.274 124 L C -0.784 176.087 176.870 0.002 0.000 0.988 124 L CA -0.521 54.285 54.840 -0.058 0.000 0.833 124 L CB 1.182 43.213 42.059 -0.047 0.000 1.236 124 L HN 0.855 nan 8.230 nan 0.000 0.410 125 H N 4.003 123.076 119.070 0.005 0.000 2.731 125 H HA 0.531 5.088 4.556 0.001 0.000 0.368 125 H C -0.969 174.393 175.328 0.058 0.000 1.168 125 H CA -1.171 54.887 56.048 0.017 0.000 1.181 125 H CB 1.919 31.692 29.762 0.017 0.000 1.743 125 H HN 0.446 nan 8.280 nan 0.000 0.547 126 I N 1.840 122.569 120.570 0.266 0.000 2.395 126 I HA 0.162 4.333 4.170 0.001 0.000 0.289 126 I C 0.059 176.444 176.117 0.446 0.000 1.023 126 I CA -0.061 61.415 61.300 0.294 0.000 1.350 126 I CB 1.069 39.271 38.000 0.337 0.000 1.409 126 I HN 0.699 nan 8.210 nan 0.000 0.507 127 E N 5.062 125.470 120.200 0.346 0.000 2.412 127 E HA 0.432 4.783 4.350 0.001 0.000 0.279 127 E C -1.560 175.170 176.600 0.218 0.000 0.984 127 E CA -1.101 55.513 56.400 0.357 0.000 0.788 127 E CB 1.647 31.580 29.700 0.388 0.000 1.277 127 E HN 0.635 nan 8.360 nan 0.000 0.455 128 E N 1.496 121.833 120.200 0.229 0.000 2.283 128 E HA 0.280 4.631 4.350 0.001 0.000 0.271 128 E C -0.707 175.972 176.600 0.132 0.000 1.031 128 E CA -0.776 55.704 56.400 0.134 0.000 0.868 128 E CB 1.197 31.020 29.700 0.204 0.000 1.094 128 E HN 0.423 nan 8.360 nan 0.000 0.401 129 D N 0.373 120.825 120.400 0.087 0.000 2.433 129 D HA 0.397 5.037 4.640 0.001 0.000 0.255 129 D C -0.603 175.738 176.300 0.068 0.000 1.226 129 D CA -0.225 53.820 54.000 0.074 0.000 1.015 129 D CB 1.452 42.287 40.800 0.059 0.000 1.091 129 D HN 0.569 nan 8.370 nan 0.000 0.527 130 A N -0.565 122.295 122.820 0.066 0.000 2.326 130 A HA 0.724 5.045 4.320 0.001 0.000 0.303 130 A C 0.502 178.120 177.584 0.057 0.000 1.164 130 A CA 0.040 52.116 52.037 0.066 0.000 0.929 130 A CB 0.586 19.651 19.000 0.108 0.000 1.363 130 A HN 0.485 nan 8.150 nan 0.000 0.498 131 G N -0.981 107.853 108.800 0.055 0.000 2.543 131 G HA2 0.514 4.475 3.960 0.001 0.000 0.267 131 G HA3 0.514 4.475 3.960 0.001 0.000 0.267 131 G C -0.468 174.466 174.900 0.056 0.000 1.406 131 G CA -0.426 44.699 45.100 0.041 0.000 1.048 131 G HN 0.739 nan 8.290 nan 0.000 0.548 132 K N -0.243 120.174 120.400 0.029 0.000 2.345 132 K HA 0.356 4.677 4.320 0.001 0.000 0.255 132 K C -1.194 175.398 176.600 -0.014 0.000 0.934 132 K CA -0.687 55.612 56.287 0.021 0.000 0.801 132 K CB 1.038 33.537 32.500 -0.002 0.000 1.137 132 K HN 0.351 nan 8.250 nan 0.000 0.424 133 N N 3.542 122.228 118.700 -0.023 0.000 2.425 133 N HA 0.333 5.073 4.740 0.001 0.000 0.268 133 N C -0.981 174.303 175.510 -0.376 0.000 0.991 133 N CA -0.374 52.580 53.050 -0.160 0.000 0.931 133 N CB 0.922 39.351 38.487 -0.097 0.000 1.130 133 N HN 0.399 nan 8.380 nan 0.000 0.493 134 I N 2.694 123.049 120.570 -0.357 0.000 2.392 134 I HA 0.169 4.340 4.170 0.001 0.000 0.295 134 I C 0.261 176.103 176.117 -0.459 0.000 0.985 134 I CA -0.468 60.617 61.300 -0.360 0.000 1.221 134 I CB 0.730 38.639 38.000 -0.152 0.000 1.366 134 I HN 0.327 nan 8.210 nan 0.000 0.467 135 H N 5.149 124.227 119.070 0.013 0.000 2.457 135 H HA 0.546 5.102 4.556 0.001 0.000 0.335 135 H C -0.792 174.538 175.328 0.004 0.000 1.115 135 H CA -0.688 55.364 56.048 0.008 0.000 1.219 135 H CB 1.806 31.576 29.762 0.014 0.000 1.471 135 H HN 0.526 nan 8.280 nan 0.000 0.491 136 E N 1.924 122.186 120.200 0.103 0.000 2.551 136 E HA 0.363 4.714 4.350 0.001 0.000 0.321 136 E C 0.365 176.989 176.600 0.040 0.000 0.975 136 E CA 0.030 56.460 56.400 0.050 0.000 0.784 136 E CB 0.312 30.023 29.700 0.018 0.000 1.493 136 E HN 0.980 nan 8.360 nan 0.000 0.385 137 G N 4.239 113.061 108.800 0.037 0.000 2.550 137 G HA2 -0.372 3.588 3.960 0.001 0.000 0.277 137 G HA3 -0.372 3.588 3.960 0.001 0.000 0.277 137 G C 0.483 175.398 174.900 0.025 0.000 1.190 137 G CA 0.394 45.508 45.100 0.023 0.000 0.971 137 G HN 0.727 nan 8.290 nan 0.000 0.559 138 D N 1.310 121.720 120.400 0.016 0.000 2.328 138 D HA 0.215 4.855 4.640 0.001 0.000 0.226 138 D C 0.768 177.078 176.300 0.017 0.000 1.066 138 D CA 0.723 54.730 54.000 0.012 0.000 0.861 138 D CB 0.106 40.909 40.800 0.004 0.000 0.912 138 D HN 0.598 nan 8.370 nan 0.000 0.521 139 K N -0.727 119.689 120.400 0.027 0.000 2.328 139 K HA 0.520 4.840 4.320 0.001 0.000 0.246 139 K C -0.795 175.838 176.600 0.055 0.000 0.955 139 K CA -0.688 55.615 56.287 0.027 0.000 0.817 139 K CB 2.169 34.675 32.500 0.011 0.000 1.208 139 K HN -0.212 nan 8.250 nan 0.000 0.432 140 T N 2.130 116.711 114.554 0.046 0.000 2.794 140 T HA 0.401 4.752 4.350 0.001 0.000 0.280 140 T C -0.936 173.748 174.700 -0.026 0.000 0.987 140 T CA -0.707 61.419 62.100 0.044 0.000 0.993 140 T CB 0.534 69.451 68.868 0.082 0.000 0.939 140 T HN 0.098 nan 8.240 nan 0.000 0.449 141 L N 3.852 125.035 121.223 -0.066 0.000 2.264 141 L HA 0.463 4.804 4.340 0.001 0.000 0.289 141 L C -0.210 176.614 176.870 -0.077 0.000 1.044 141 L CA -0.429 54.373 54.840 -0.064 0.000 0.807 141 L CB 1.340 43.364 42.059 -0.059 0.000 1.192 141 L HN 0.408 nan 8.230 nan 0.000 0.425 142 V N 2.423 122.304 119.914 -0.055 0.000 2.328 142 V HA 0.306 4.427 4.120 0.001 0.000 0.278 142 V C -0.320 175.751 176.094 -0.039 0.000 1.021 142 V CA -0.704 61.568 62.300 -0.047 0.000 0.838 142 V CB 1.334 33.133 31.823 -0.038 0.000 0.999 142 V HN 0.634 nan 8.190 nan 0.000 0.447 143 D N 4.680 125.057 120.400 -0.039 0.000 2.274 143 D HA 0.337 4.978 4.640 0.001 0.000 0.239 143 D C 0.320 176.606 176.300 -0.023 0.000 1.104 143 D CA -0.289 53.690 54.000 -0.036 0.000 0.840 143 D CB 1.607 42.378 40.800 -0.048 0.000 1.100 143 D HN 0.453 nan 8.370 nan 0.000 0.477 144 L N 3.895 125.106 121.223 -0.020 0.000 2.848 144 L HA 0.189 4.530 4.340 0.001 0.000 0.240 144 L C 1.377 178.240 176.870 -0.012 0.000 1.232 144 L CA -0.324 54.508 54.840 -0.013 0.000 1.031 144 L CB -0.251 41.799 42.059 -0.016 0.000 1.338 144 L HN 0.258 nan 8.230 nan 0.000 0.509 145 N N 1.068 119.757 118.700 -0.018 0.000 2.223 145 N HA -0.168 4.573 4.740 0.001 0.000 0.185 145 N C 1.867 177.376 175.510 -0.003 0.000 1.016 145 N CA 1.142 54.181 53.050 -0.017 0.000 0.863 145 N CB 0.012 38.478 38.487 -0.034 0.000 0.983 145 N HN 0.334 nan 8.380 nan 0.000 0.429 146 R N 0.296 120.800 120.500 0.005 0.000 2.290 146 R HA 0.306 4.647 4.340 0.001 0.000 0.197 146 R C 0.017 176.333 176.300 0.027 0.000 0.913 146 R CA -0.057 56.057 56.100 0.024 0.000 1.040 146 R CB 0.151 30.473 30.300 0.037 0.000 0.992 146 R HN 0.029 nan 8.270 nan 0.000 0.500 147 A N 0.535 123.367 122.820 0.019 0.000 2.566 147 A HA 0.341 4.662 4.320 0.001 0.000 0.245 147 A C 1.042 178.639 177.584 0.022 0.000 1.056 147 A CA 0.933 52.981 52.037 0.019 0.000 0.757 147 A CB -0.418 18.583 19.000 0.002 0.000 0.979 147 A HN 0.620 nan 8.150 nan 0.000 0.508 148 G N 2.227 111.049 108.800 0.038 0.000 2.175 148 G HA2 -0.192 3.769 3.960 0.001 0.000 0.244 148 G HA3 -0.192 3.769 3.960 0.001 0.000 0.244 148 G C 0.366 175.263 174.900 -0.004 0.000 0.982 148 G CA 0.299 45.426 45.100 0.045 0.000 0.641 148 G HN 1.208 nan 8.290 nan 0.000 0.527 149 T N 4.146 118.706 114.554 0.010 0.000 2.834 149 T HA 0.472 4.822 4.350 0.001 0.000 0.298 149 T C -1.954 172.741 174.700 -0.007 0.000 0.966 149 T CA -0.317 61.784 62.100 0.001 0.000 1.141 149 T CB 1.712 70.599 68.868 0.031 0.000 0.905 149 T HN 0.225 nan 8.240 nan 0.000 0.535 150 P HA 0.217 nan 4.420 nan 0.000 0.267 150 P C -0.893 176.427 177.300 0.033 0.000 1.209 150 P CA -0.088 62.986 63.100 -0.043 0.000 0.763 150 P CB 0.414 32.069 31.700 -0.076 0.000 0.816 151 L N 3.521 124.787 121.223 0.071 0.000 2.354 151 L HA 0.537 4.878 4.340 0.001 0.000 0.269 151 L C 0.664 177.594 176.870 0.099 0.000 1.005 151 L CA -1.038 53.867 54.840 0.109 0.000 0.819 151 L CB 1.724 43.885 42.059 0.170 0.000 1.311 151 L HN 0.199 nan 8.230 nan 0.000 0.423 152 M N 2.126 121.764 119.600 0.063 0.000 2.188 152 M HA 0.277 4.757 4.480 0.001 0.000 0.357 152 M C -0.150 176.097 176.300 -0.090 0.000 1.204 152 M CA -0.037 55.261 55.300 -0.003 0.000 1.095 152 M CB 1.341 33.935 32.600 -0.010 0.000 1.604 152 M HN 0.514 nan 8.290 nan 0.000 0.464 153 E N 4.165 124.198 120.200 -0.279 0.000 2.197 153 E HA 0.493 4.843 4.350 0.001 0.000 0.281 153 E C -1.490 174.838 176.600 -0.452 0.000 0.995 153 E CA -0.409 55.673 56.400 -0.529 0.000 0.808 153 E CB 0.995 30.245 29.700 -0.750 0.000 1.093 153 E HN 0.623 nan 8.360 nan 0.000 0.394 154 I N 4.772 125.146 120.570 -0.326 0.000 2.447 154 I HA 0.290 4.460 4.170 0.001 0.000 0.287 154 I C -0.902 175.145 176.117 -0.117 0.000 1.023 154 I CA -0.988 60.217 61.300 -0.160 0.000 1.083 154 I CB 1.852 39.817 38.000 -0.058 0.000 1.245 154 I HN 0.291 nan 8.210 nan 0.000 0.434 155 V N 4.643 124.510 119.914 -0.079 0.000 2.555 155 V HA 0.497 4.617 4.120 0.001 0.000 0.302 155 V C 0.046 176.115 176.094 -0.042 0.000 1.038 155 V CA -0.414 61.852 62.300 -0.056 0.000 0.887 155 V CB 2.196 33.999 31.823 -0.034 0.000 0.991 155 V HN 0.687 nan 8.190 nan 0.000 0.434 156 T N 3.297 117.803 114.554 -0.080 0.000 2.855 156 T HA 0.381 4.732 4.350 0.001 0.000 0.281 156 T C -0.224 174.413 174.700 -0.105 0.000 1.007 156 T CA -0.496 61.524 62.100 -0.132 0.000 1.009 156 T CB 1.340 70.025 68.868 -0.306 0.000 0.983 156 T HN 0.664 nan 8.240 nan 0.000 0.455 157 E N 2.805 122.956 120.200 -0.081 0.000 2.409 157 E HA 0.147 4.498 4.350 0.001 0.000 0.257 157 E C -2.133 174.425 176.600 -0.069 0.000 1.150 157 E CA -2.086 54.278 56.400 -0.060 0.000 0.942 157 E CB 0.260 29.946 29.700 -0.023 0.000 0.979 157 E HN 0.282 nan 8.360 nan 0.000 0.447 158 P HA 0.132 nan 4.420 nan 0.000 0.226 158 P C -0.422 176.897 177.300 0.031 0.000 1.783 158 P CA 0.178 63.283 63.100 0.008 0.000 0.980 158 P CB -0.067 31.686 31.700 0.087 0.000 1.967 159 D N -0.292 120.088 120.400 -0.033 0.000 2.346 159 D HA 0.085 4.726 4.640 0.001 0.000 0.206 159 D C 0.917 177.192 176.300 -0.043 0.000 1.001 159 D CA 0.375 54.360 54.000 -0.025 0.000 0.871 159 D CB 0.160 40.940 40.800 -0.034 0.000 0.943 159 D HN 0.300 nan 8.370 nan 0.000 0.518 160 I N 1.074 121.597 120.570 -0.079 0.000 2.474 160 I HA 0.131 4.302 4.170 0.001 0.000 0.287 160 I C 1.408 177.501 176.117 -0.040 0.000 1.048 160 I CA -0.093 61.160 61.300 -0.078 0.000 1.383 160 I CB 1.107 39.024 38.000 -0.139 0.000 1.412 160 I HN -0.286 nan 8.210 nan 0.000 0.531 161 R N 2.746 123.229 120.500 -0.029 0.000 2.521 161 R HA 0.303 4.644 4.340 0.001 0.000 0.289 161 R C -0.525 175.766 176.300 -0.014 0.000 0.936 161 R CA 0.176 56.265 56.100 -0.017 0.000 1.089 161 R CB 0.968 31.259 30.300 -0.015 0.000 1.348 161 R HN 0.584 nan 8.270 nan 0.000 0.536 162 T N 0.453 114.997 114.554 -0.016 0.000 2.932 162 T HA 0.241 4.592 4.350 0.001 0.000 0.318 162 T C -2.418 172.274 174.700 -0.013 0.000 1.265 162 T CA -1.003 61.090 62.100 -0.012 0.000 1.036 162 T CB 2.926 71.790 68.868 -0.007 0.000 1.209 162 T HN -0.280 nan 8.240 nan 0.000 0.484 163 P HA -0.104 nan 4.420 nan 0.000 0.216 163 P C 1.378 178.674 177.300 -0.008 0.000 1.150 163 P CA 0.950 64.043 63.100 -0.011 0.000 0.843 163 P CB 0.404 32.102 31.700 -0.004 0.000 0.787 164 E N 0.093 120.291 120.200 -0.004 0.000 2.031 164 E HA -0.236 4.115 4.350 0.001 0.000 0.193 164 E C 1.892 178.486 176.600 -0.009 0.000 0.994 164 E CA 1.224 57.621 56.400 -0.005 0.000 0.800 164 E CB -0.233 29.465 29.700 -0.003 0.000 0.752 164 E HN 0.281 nan 8.360 nan 0.000 0.447 165 E N 0.174 120.370 120.200 -0.005 0.000 2.097 165 E HA -0.248 4.103 4.350 0.001 0.000 0.196 165 E C 2.033 178.646 176.600 0.022 0.000 1.000 165 E CA 1.017 57.421 56.400 0.006 0.000 0.804 165 E CB -0.204 29.497 29.700 0.002 0.000 0.740 165 E HN 0.338 nan 8.360 nan 0.000 0.454 166 A N 1.727 124.547 122.820 -0.000 0.000 1.869 166 A HA -0.306 4.015 4.320 0.001 0.000 0.218 166 A C 2.137 179.724 177.584 0.005 0.000 1.203 166 A CA 2.079 54.117 52.037 0.002 0.000 0.638 166 A CB -0.676 18.312 19.000 -0.019 0.000 0.831 166 A HN 0.170 nan 8.150 nan 0.000 0.450 167 R N -0.440 120.041 120.500 -0.031 0.000 2.073 167 R HA -0.081 4.259 4.340 0.001 0.000 0.234 167 R C 2.130 178.329 176.300 -0.169 0.000 1.134 167 R CA 1.663 57.705 56.100 -0.097 0.000 0.952 167 R CB -0.494 29.784 30.300 -0.036 0.000 0.850 167 R HN 0.502 nan 8.270 nan 0.000 0.433 168 L N 0.264 121.435 121.223 -0.086 0.000 2.043 168 L HA -0.230 4.111 4.340 0.001 0.000 0.212 168 L C 2.437 179.239 176.870 -0.115 0.000 1.075 168 L CA 1.615 56.398 54.840 -0.095 0.000 0.752 168 L CB -0.557 41.475 42.059 -0.045 0.000 0.891 168 L HN 0.234 nan 8.230 nan 0.000 0.432 169 F N 0.421 120.267 119.950 -0.175 0.000 2.069 169 F HA -0.269 4.259 4.527 0.001 0.000 0.298 169 F C 2.250 177.905 175.800 -0.242 0.000 1.113 169 F CA 1.654 59.555 58.000 -0.165 0.000 1.214 169 F CB -0.303 38.625 39.000 -0.120 0.000 0.978 169 F HN -0.141 nan 8.300 nan 0.000 0.474 170 L N 0.050 121.112 121.223 -0.269 0.000 2.081 170 L HA -0.260 4.081 4.340 0.001 0.000 0.212 170 L C 2.414 178.770 176.870 -0.856 0.000 1.080 170 L CA 1.818 56.296 54.840 -0.603 0.000 0.754 170 L CB -0.650 40.901 42.059 -0.847 0.000 0.893 170 L HN 0.261 nan 8.230 nan 0.000 0.433 171 E N -0.403 119.363 120.200 -0.723 0.000 2.072 171 E HA -0.254 4.097 4.350 0.001 0.000 0.190 171 E C 2.124 178.555 176.600 -0.282 0.000 0.982 171 E CA 1.079 57.213 56.400 -0.443 0.000 0.803 171 E CB 0.116 29.657 29.700 -0.264 0.000 0.755 171 E HN 0.236 nan 8.360 nan 0.000 0.453 172 K N 0.676 120.871 120.400 -0.341 0.000 2.062 172 K HA -0.132 4.189 4.320 0.001 0.000 0.205 172 K C 2.049 178.437 176.600 -0.352 0.000 1.051 172 K CA 0.550 56.651 56.287 -0.311 0.000 0.941 172 K CB -0.190 32.126 32.500 -0.307 0.000 0.719 172 K HN 0.007 nan 8.250 nan 0.000 0.440 173 L N 1.646 122.545 121.223 -0.541 0.000 1.990 173 L HA -0.203 4.137 4.340 0.001 0.000 0.213 173 L C 2.271 179.015 176.870 -0.211 0.000 1.072 173 L CA 1.918 56.486 54.840 -0.454 0.000 0.755 173 L CB -0.774 40.932 42.059 -0.589 0.000 0.889 173 L HN 0.218 nan 8.230 nan 0.000 0.432 174 R N -0.639 119.775 120.500 -0.143 0.000 2.094 174 R HA -0.259 4.081 4.340 0.001 0.000 0.239 174 R C 2.253 178.561 176.300 0.013 0.000 1.137 174 R CA 2.100 58.209 56.100 0.014 0.000 0.943 174 R CB -0.490 29.913 30.300 0.171 0.000 0.850 174 R HN 0.511 nan 8.270 nan 0.000 0.433 175 N N 0.283 118.978 118.700 -0.007 0.000 2.188 175 N HA -0.077 4.664 4.740 0.001 0.000 0.184 175 N C 1.716 177.297 175.510 0.119 0.000 1.018 175 N CA 1.203 54.306 53.050 0.088 0.000 0.858 175 N CB -0.055 38.460 38.487 0.047 0.000 0.989 175 N HN 0.271 nan 8.380 nan 0.000 0.426 176 I N -0.164 120.381 120.570 -0.041 0.000 2.252 176 I HA -0.232 3.939 4.170 0.001 0.000 0.245 176 I C 2.064 178.177 176.117 -0.006 0.000 1.102 176 I CA 0.701 61.968 61.300 -0.055 0.000 1.385 176 I CB -0.245 37.667 38.000 -0.146 0.000 1.064 176 I HN 0.118 nan 8.210 nan 0.000 0.414 177 M N 0.505 120.087 119.600 -0.030 0.000 2.065 177 M HA -0.196 4.285 4.480 0.001 0.000 0.259 177 M C 2.475 178.765 176.300 -0.018 0.000 1.069 177 M CA 1.867 57.146 55.300 -0.035 0.000 1.110 177 M CB -1.302 31.282 32.600 -0.027 0.000 1.328 177 M HN 0.193 nan 8.290 nan 0.000 0.405 178 R N -1.395 119.119 120.500 0.025 0.000 2.081 178 R HA -0.170 4.171 4.340 0.001 0.000 0.235 178 R C 2.200 178.491 176.300 -0.016 0.000 1.131 178 R CA 1.428 57.529 56.100 0.001 0.000 0.960 178 R CB -0.467 29.843 30.300 0.017 0.000 0.856 178 R HN 0.328 nan 8.270 nan 0.000 0.436 179 Y N 0.259 120.523 120.300 -0.060 0.000 2.242 179 Y HA -0.142 4.409 4.550 0.001 0.000 0.291 179 Y C 2.408 178.262 175.900 -0.076 0.000 1.137 179 Y CA 1.385 59.453 58.100 -0.053 0.000 1.181 179 Y CB -0.111 38.320 38.460 -0.048 0.000 0.989 179 Y HN 0.110 nan 8.280 nan 0.000 0.527 180 A N -0.958 121.890 122.820 0.047 0.000 2.016 180 A HA 0.254 4.574 4.320 0.001 0.000 0.217 180 A C 1.986 179.483 177.584 -0.146 0.000 1.162 180 A CA 1.184 53.190 52.037 -0.053 0.000 0.662 180 A CB -0.948 18.000 19.000 -0.088 0.000 0.812 180 A HN 0.635 nan 8.150 nan 0.000 0.450 181 G N -1.550 107.151 108.800 -0.164 0.000 2.131 181 G HA2 -0.208 3.753 3.960 0.001 0.000 0.223 181 G HA3 -0.208 3.753 3.960 0.001 0.000 0.223 181 G C 0.963 175.598 174.900 -0.440 0.000 0.990 181 G CA 0.826 45.788 45.100 -0.231 0.000 0.671 181 G HN 1.491 nan 8.290 nan 0.000 0.521 182 V N -3.336 116.337 119.914 -0.403 0.000 2.575 182 V HA 0.641 4.762 4.120 0.001 0.000 0.242 182 V C 1.086 177.106 176.094 -0.123 0.000 1.045 182 V CA 1.797 63.791 62.300 -0.509 0.000 1.065 182 V CB 0.672 32.314 31.823 -0.301 0.000 0.717 182 V HN 1.272 nan 8.190 nan 0.000 0.467 183 S N -1.520 114.143 115.700 -0.062 0.000 2.618 183 S HA 0.500 4.970 4.470 0.001 0.000 0.277 183 S C 0.288 174.884 174.600 -0.006 0.000 1.138 183 S CA -0.747 57.460 58.200 0.011 0.000 0.844 183 S CB 2.095 65.312 63.200 0.028 0.000 1.127 183 S HN 0.196 nan 8.310 nan 0.000 0.474 184 K N 1.583 121.985 120.400 0.003 0.000 2.137 184 K HA 0.286 4.607 4.320 0.001 0.000 0.202 184 K C 1.265 177.858 176.600 -0.011 0.000 1.052 184 K CA 1.107 57.386 56.287 -0.013 0.000 0.961 184 K CB -0.865 31.619 32.500 -0.026 0.000 0.741 184 K HN 1.323 nan 8.250 nan 0.000 0.452 185 A N 2.026 124.845 122.820 -0.002 0.000 2.860 185 A HA -0.163 4.158 4.320 0.001 0.000 0.267 185 A C -0.551 177.029 177.584 -0.007 0.000 1.421 185 A CA 0.915 52.964 52.037 0.020 0.000 0.831 185 A CB -2.005 17.022 19.000 0.045 0.000 1.041 185 A HN 0.291 nan 8.150 nan 0.000 0.623 186 D N -0.191 120.169 120.400 -0.067 0.000 2.308 186 D HA 0.410 5.051 4.640 0.001 0.000 0.251 186 D C 1.582 177.782 176.300 -0.167 0.000 1.127 186 D CA -0.247 53.665 54.000 -0.146 0.000 0.876 186 D CB 0.755 41.465 40.800 -0.150 0.000 1.176 186 D HN 0.450 nan 8.370 nan 0.000 0.446 187 M N 1.048 120.485 119.600 -0.273 0.000 2.175 187 M HA -0.148 4.333 4.480 0.001 0.000 0.264 187 M C 1.865 178.085 176.300 -0.135 0.000 1.063 187 M CA 1.158 56.337 55.300 -0.201 0.000 1.119 187 M CB -0.083 32.337 32.600 -0.301 0.000 1.377 187 M HN 0.493 nan 8.290 nan 0.000 0.415 188 E N 1.341 121.439 120.200 -0.168 0.000 2.130 188 E HA -0.224 4.127 4.350 0.001 0.000 0.196 188 E C 1.171 177.686 176.600 -0.142 0.000 0.998 188 E CA 1.328 57.653 56.400 -0.126 0.000 0.806 188 E CB 0.119 29.736 29.700 -0.139 0.000 0.738 188 E HN 0.530 nan 8.360 nan 0.000 0.459 189 K N -1.230 119.038 120.400 -0.219 0.000 2.374 189 K HA 0.178 4.498 4.320 0.001 0.000 0.196 189 K C 0.902 177.403 176.600 -0.166 0.000 1.023 189 K CA 0.479 56.534 56.287 -0.386 0.000 1.103 189 K CB 0.857 33.051 32.500 -0.510 0.000 0.848 189 K HN 0.224 nan 8.250 nan 0.000 0.528 190 G N 2.351 111.119 108.800 -0.053 0.000 2.137 190 G HA2 -0.310 3.651 3.960 0.001 0.000 0.237 190 G HA3 -0.310 3.651 3.960 0.001 0.000 0.237 190 G C 0.432 175.355 174.900 0.038 0.000 1.002 190 G CA 0.194 45.314 45.100 0.033 0.000 0.702 190 G HN 0.458 nan 8.290 nan 0.000 0.515 191 Q N -1.064 118.738 119.800 0.003 0.000 2.360 191 Q HA 0.556 4.897 4.340 0.001 0.000 0.202 191 Q C 0.734 176.766 176.000 0.052 0.000 0.915 191 Q CA 0.438 56.256 55.803 0.026 0.000 0.943 191 Q CB 1.023 29.759 28.738 -0.004 0.000 1.064 191 Q HN 0.619 nan 8.270 nan 0.000 0.511 192 L N 0.645 121.904 121.223 0.058 0.000 2.580 192 L HA 0.461 4.802 4.340 0.001 0.000 0.266 192 L C -1.530 175.412 176.870 0.121 0.000 0.955 192 L CA -0.488 54.415 54.840 0.105 0.000 0.886 192 L CB 1.466 43.598 42.059 0.122 0.000 1.263 192 L HN -0.038 nan 8.230 nan 0.000 0.406 193 R N 2.975 123.571 120.500 0.160 0.000 2.873 193 R HA 0.730 5.071 4.340 0.001 0.000 0.264 193 R C -1.409 175.012 176.300 0.202 0.000 1.026 193 R CA -0.732 55.466 56.100 0.164 0.000 1.002 193 R CB 2.207 32.593 30.300 0.142 0.000 1.174 193 R HN 0.623 nan 8.270 nan 0.000 0.488 194 C N 1.793 121.202 119.300 0.183 0.000 2.789 194 C HA 0.261 4.722 4.460 0.001 0.000 0.367 194 C C -1.431 173.639 174.990 0.134 0.000 1.062 194 C CA -0.801 58.319 59.018 0.170 0.000 1.297 194 C CB 0.150 27.998 27.740 0.180 0.000 1.794 194 C HN 0.720 nan 8.230 nan 0.000 0.474 195 D N 4.381 124.860 120.400 0.131 0.000 2.350 195 D HA 0.476 5.117 4.640 0.001 0.000 0.249 195 D C -0.041 176.295 176.300 0.060 0.000 1.119 195 D CA 0.447 54.504 54.000 0.095 0.000 0.886 195 D CB 1.157 42.022 40.800 0.108 0.000 1.195 195 D HN 0.586 nan 8.370 nan 0.000 0.437 196 I N 2.299 122.894 120.570 0.040 0.000 2.406 196 I HA 0.228 4.399 4.170 0.001 0.000 0.290 196 I C -0.011 176.111 176.117 0.009 0.000 0.999 196 I CA -0.724 60.584 61.300 0.014 0.000 1.124 196 I CB 1.227 39.225 38.000 -0.003 0.000 1.289 196 I HN 0.017 nan 8.210 nan 0.000 0.441 197 N N 6.088 124.786 118.700 -0.003 0.000 2.407 197 N HA 0.508 5.248 4.740 0.001 0.000 0.277 197 N C -1.468 174.040 175.510 -0.005 0.000 0.995 197 N CA -0.335 52.715 53.050 -0.000 0.000 0.903 197 N CB 3.259 41.744 38.487 -0.003 0.000 1.218 197 N HN 0.256 nan 8.380 nan 0.000 0.487 198 V N 1.646 121.561 119.914 0.001 0.000 2.733 198 V HA 0.629 4.750 4.120 0.001 0.000 0.306 198 V C -0.891 175.209 176.094 0.010 0.000 1.084 198 V CA -0.373 61.928 62.300 0.001 0.000 0.905 198 V CB 1.888 33.702 31.823 -0.016 0.000 1.010 198 V HN 0.811 nan 8.190 nan 0.000 0.424 199 S N 6.707 122.424 115.700 0.028 0.000 2.599 199 S HA 0.818 5.288 4.470 0.001 0.000 0.287 199 S C -0.595 174.023 174.600 0.029 0.000 1.105 199 S CA -0.734 57.489 58.200 0.038 0.000 0.899 199 S CB 1.845 65.100 63.200 0.091 0.000 1.100 199 S HN 1.367 nan 8.310 nan 0.000 0.482 200 I N -0.946 119.634 120.570 0.016 0.000 2.822 200 I HA 0.864 5.035 4.170 0.001 0.000 0.312 200 I C -0.372 175.802 176.117 0.096 0.000 1.011 200 I CA -1.145 60.173 61.300 0.030 0.000 1.105 200 I CB 1.741 39.697 38.000 -0.072 0.000 1.291 200 I HN 0.870 nan 8.210 nan 0.000 0.474 201 R N 3.026 123.630 120.500 0.173 0.000 2.561 201 R HA 0.473 4.814 4.340 0.001 0.000 0.266 201 R C -2.977 173.382 176.300 0.098 0.000 1.091 201 R CA -1.511 54.649 56.100 0.100 0.000 0.927 201 R CB 2.410 32.696 30.300 -0.024 0.000 1.240 201 R HN 0.410 nan 8.270 nan 0.000 0.449 202 P HA -0.058 nan 4.420 nan 0.000 0.264 202 P C -0.885 176.329 177.300 -0.143 0.000 1.193 202 P CA 0.038 63.013 63.100 -0.208 0.000 0.763 202 P CB 0.517 32.112 31.700 -0.175 0.000 0.810 203 K N 2.529 122.835 120.400 -0.157 0.000 2.527 203 K HA 0.067 4.388 4.320 0.001 0.000 0.278 203 K C 1.549 178.090 176.600 -0.098 0.000 0.981 203 K CA 1.576 57.802 56.287 -0.103 0.000 1.009 203 K CB -0.282 32.163 32.500 -0.091 0.000 0.895 203 K HN 0.780 nan 8.250 nan 0.000 0.493 204 G N 1.771 110.520 108.800 -0.085 0.000 3.444 204 G HA2 -0.368 3.593 3.960 0.001 0.000 0.222 204 G HA3 -0.368 3.593 3.960 0.001 0.000 0.222 204 G C 0.181 175.023 174.900 -0.097 0.000 1.358 204 G CA 0.600 45.650 45.100 -0.082 0.000 0.880 204 G HN 0.921 nan 8.290 nan 0.000 0.555 205 S N 1.009 116.646 115.700 -0.105 0.000 2.561 205 S HA 0.345 4.815 4.470 0.001 0.000 0.294 205 S C 0.990 175.491 174.600 -0.164 0.000 1.294 205 S CA 1.397 59.529 58.200 -0.114 0.000 1.055 205 S CB 1.057 64.195 63.200 -0.103 0.000 0.819 205 S HN 0.666 nan 8.310 nan 0.000 0.503 206 K N 1.223 121.524 120.400 -0.165 0.000 2.358 206 K HA 0.213 4.534 4.320 0.001 0.000 0.197 206 K C 0.548 176.945 176.600 -0.337 0.000 1.025 206 K CA -0.156 55.992 56.287 -0.232 0.000 1.104 206 K CB 0.221 32.645 32.500 -0.127 0.000 0.855 206 K HN 0.574 nan 8.250 nan 0.000 0.531 207 E N 0.195 120.256 120.200 -0.231 0.000 2.435 207 E HA 0.083 4.434 4.350 0.001 0.000 0.254 207 E C -0.559 175.822 176.600 -0.365 0.000 1.289 207 E CA 0.383 56.687 56.400 -0.160 0.000 0.983 207 E CB 0.319 29.992 29.700 -0.044 0.000 1.010 207 E HN -0.056 nan 8.360 nan 0.000 0.509 208 F N -0.563 119.390 119.950 0.005 0.000 2.499 208 F HA 0.348 4.875 4.527 0.001 0.000 0.333 208 F C 0.901 176.708 175.800 0.011 0.000 1.138 208 F CA -0.655 57.349 58.000 0.006 0.000 0.945 208 F CB 1.744 40.745 39.000 0.002 0.000 1.181 208 F HN 0.355 nan 8.300 nan 0.000 0.435 209 G N 1.159 110.053 108.800 0.157 0.000 2.667 209 G HA2 0.401 4.362 3.960 0.001 0.000 0.250 209 G HA3 0.401 4.362 3.960 0.001 0.000 0.250 209 G C -0.024 174.940 174.900 0.107 0.000 1.212 209 G CA -0.523 44.641 45.100 0.108 0.000 0.874 209 G HN 0.629 nan 8.290 nan 0.000 0.561 210 T N -1.614 112.981 114.554 0.068 0.000 2.900 210 T HA 0.308 4.659 4.350 0.001 0.000 0.307 210 T C 0.308 175.033 174.700 0.042 0.000 1.065 210 T CA -0.385 61.745 62.100 0.051 0.000 1.105 210 T CB 1.153 70.042 68.868 0.034 0.000 0.979 210 T HN 0.559 nan 8.240 nan 0.000 0.544 211 R N 1.484 122.005 120.500 0.034 0.000 2.310 211 R HA 0.544 4.884 4.340 0.001 0.000 0.324 211 R C -1.533 174.780 176.300 0.021 0.000 0.955 211 R CA -0.633 55.483 56.100 0.027 0.000 0.830 211 R CB 1.118 31.430 30.300 0.019 0.000 1.154 211 R HN 0.601 nan 8.270 nan 0.000 0.458 212 V N 3.891 123.815 119.914 0.017 0.000 2.483 212 V HA 0.281 4.402 4.120 0.001 0.000 0.295 212 V C -0.064 176.042 176.094 0.020 0.000 1.035 212 V CA -0.626 61.685 62.300 0.018 0.000 0.896 212 V CB 1.674 33.504 31.823 0.012 0.000 0.986 212 V HN 0.741 nan 8.190 nan 0.000 0.447 213 E N 4.076 124.292 120.200 0.028 0.000 2.151 213 E HA 0.515 4.865 4.350 0.001 0.000 0.275 213 E C -1.215 175.408 176.600 0.039 0.000 0.936 213 E CA -0.605 55.814 56.400 0.032 0.000 0.777 213 E CB 1.279 31.001 29.700 0.038 0.000 1.108 213 E HN 0.606 nan 8.360 nan 0.000 0.401 214 I N 4.965 125.556 120.570 0.036 0.000 2.307 214 I HA 0.261 4.432 4.170 0.001 0.000 0.289 214 I C 0.367 176.518 176.117 0.057 0.000 1.021 214 I CA -0.585 60.744 61.300 0.048 0.000 1.224 214 I CB 0.886 38.903 38.000 0.028 0.000 1.376 214 I HN 0.197 nan 8.210 nan 0.000 0.470 215 K N 4.720 125.163 120.400 0.071 0.000 2.098 215 K HA 0.334 4.654 4.320 0.001 0.000 0.261 215 K C 0.051 176.705 176.600 0.090 0.000 0.987 215 K CA -0.706 55.624 56.287 0.072 0.000 0.916 215 K CB 1.001 33.535 32.500 0.057 0.000 1.039 215 K HN 0.592 nan 8.250 nan 0.000 0.455 216 N N 0.192 118.946 118.700 0.090 0.000 2.708 216 N HA -0.171 4.570 4.740 0.001 0.000 0.255 216 N C -0.975 174.616 175.510 0.134 0.000 1.046 216 N CA -0.201 52.910 53.050 0.102 0.000 0.715 216 N CB -0.728 37.813 38.487 0.091 0.000 0.895 216 N HN 0.152 nan 8.380 nan 0.000 0.545 217 V N 0.568 120.566 119.914 0.139 0.000 2.617 217 V HA 0.338 4.458 4.120 0.001 0.000 0.298 217 V C 0.807 177.020 176.094 0.198 0.000 1.048 217 V CA -0.489 61.917 62.300 0.178 0.000 0.964 217 V CB 1.905 33.785 31.823 0.095 0.000 1.004 217 V HN 0.351 nan 8.190 nan 0.000 0.466 218 N N 0.915 119.782 118.700 0.278 0.000 2.118 218 N HA 0.113 4.853 4.740 0.001 0.000 0.226 218 N C 0.031 175.664 175.510 0.205 0.000 1.305 218 N CA 0.351 53.541 53.050 0.233 0.000 0.890 218 N CB 1.160 39.788 38.487 0.235 0.000 1.118 218 N HN 0.819 nan 8.380 nan 0.000 0.511 219 S N -1.150 114.708 115.700 0.263 0.000 2.556 219 S HA 0.445 4.915 4.470 0.001 0.000 0.271 219 S C 0.236 174.916 174.600 0.134 0.000 1.135 219 S CA -0.565 57.650 58.200 0.025 0.000 0.858 219 S CB 0.456 63.567 63.200 -0.148 0.000 1.114 219 S HN -0.182 nan 8.310 nan 0.000 0.468 220 F N 1.558 121.502 119.950 -0.010 0.000 2.154 220 F HA 0.018 4.546 4.527 0.001 0.000 0.301 220 F C 2.661 178.446 175.800 -0.026 0.000 1.087 220 F CA 1.058 59.051 58.000 -0.011 0.000 1.274 220 F CB -0.776 38.206 39.000 -0.031 0.000 1.009 220 F HN 0.527 nan 8.300 nan 0.000 0.485 221 R N -0.586 119.971 120.500 0.095 0.000 2.092 221 R HA -0.099 4.242 4.340 0.001 0.000 0.231 221 R C 2.192 178.536 176.300 0.073 0.000 1.119 221 R CA 0.828 56.929 56.100 0.002 0.000 0.970 221 R CB -1.237 28.981 30.300 -0.137 0.000 0.864 221 R HN 0.198 nan 8.270 nan 0.000 0.440 222 F N 0.535 120.542 119.950 0.095 0.000 2.269 222 F HA -0.149 4.378 4.527 0.001 0.000 0.301 222 F C 2.362 178.036 175.800 -0.211 0.000 1.082 222 F CA 0.962 59.004 58.000 0.071 0.000 1.360 222 F CB -1.074 38.067 39.000 0.235 0.000 1.041 222 F HN -0.121 nan 8.300 nan 0.000 0.512 223 V N -1.367 118.598 119.914 0.085 0.000 2.453 223 V HA -0.246 3.875 4.120 0.001 0.000 0.247 223 V C 2.115 178.162 176.094 -0.079 0.000 1.048 223 V CA 1.835 64.109 62.300 -0.043 0.000 1.049 223 V CB -1.073 30.784 31.823 0.057 0.000 0.672 223 V HN 0.374 nan 8.190 nan 0.000 0.457 224 Q N 0.085 119.880 119.800 -0.008 0.000 2.030 224 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 224 Q C 2.403 178.393 176.000 -0.016 0.000 0.986 224 Q CA 2.076 57.877 55.803 -0.003 0.000 0.843 224 Q CB -0.122 28.633 28.738 0.029 0.000 0.904 224 Q HN 0.535 nan 8.270 nan 0.000 0.420 225 K N 0.159 120.565 120.400 0.009 0.000 2.009 225 K HA -0.139 4.181 4.320 0.001 0.000 0.210 225 K C 2.056 178.622 176.600 -0.057 0.000 1.049 225 K CA 1.263 57.594 56.287 0.072 0.000 0.929 225 K CB -0.748 31.940 32.500 0.313 0.000 0.714 225 K HN 0.341 nan 8.250 nan 0.000 0.440 226 A N 1.709 124.189 122.820 -0.567 0.000 1.859 226 A HA -0.196 4.125 4.320 0.001 0.000 0.217 226 A C 2.433 179.926 177.584 -0.151 0.000 1.198 226 A CA 1.697 53.330 52.037 -0.673 0.000 0.629 226 A CB -0.912 17.452 19.000 -1.060 0.000 0.830 226 A HN 0.232 nan 8.150 nan 0.000 0.446 227 L N -1.204 119.933 121.223 -0.143 0.000 2.012 227 L HA -0.246 4.094 4.340 0.001 0.000 0.210 227 L C 2.690 179.551 176.870 -0.016 0.000 1.073 227 L CA 1.909 56.713 54.840 -0.060 0.000 0.748 227 L CB -0.570 41.455 42.059 -0.056 0.000 0.891 227 L HN 0.527 nan 8.230 nan 0.000 0.431 228 E N -0.846 119.362 120.200 0.013 0.000 2.049 228 E HA -0.321 4.030 4.350 0.001 0.000 0.198 228 E C 2.007 178.645 176.600 0.064 0.000 1.007 228 E CA 2.121 58.546 56.400 0.042 0.000 0.809 228 E CB -0.250 29.493 29.700 0.072 0.000 0.749 228 E HN 0.451 nan 8.360 nan 0.000 0.450 229 Y N 1.047 121.346 120.300 -0.002 0.000 2.163 229 Y HA -0.243 4.308 4.550 0.001 0.000 0.288 229 Y C 2.318 178.204 175.900 -0.023 0.000 1.136 229 Y CA 1.939 60.039 58.100 0.001 0.000 1.147 229 Y CB 0.003 38.482 38.460 0.031 0.000 0.987 229 Y HN -0.003 nan 8.280 nan 0.000 0.509 230 E N 0.783 120.946 120.200 -0.062 0.000 2.085 230 E HA -0.218 4.133 4.350 0.001 0.000 0.194 230 E C 1.909 178.385 176.600 -0.206 0.000 0.994 230 E CA 2.203 58.512 56.400 -0.152 0.000 0.801 230 E CB -0.620 29.062 29.700 -0.030 0.000 0.743 230 E HN 0.658 nan 8.360 nan 0.000 0.453 231 I N 0.455 120.938 120.570 -0.144 0.000 2.163 231 I HA -0.285 3.886 4.170 0.001 0.000 0.243 231 I C 2.521 178.516 176.117 -0.203 0.000 1.085 231 I CA 1.739 62.953 61.300 -0.143 0.000 1.347 231 I CB -0.436 37.512 38.000 -0.086 0.000 1.044 231 I HN 0.214 nan 8.210 nan 0.000 0.408 232 E N 1.372 121.436 120.200 -0.227 0.000 2.058 232 E HA -0.283 4.068 4.350 0.001 0.000 0.194 232 E C 2.353 178.742 176.600 -0.352 0.000 0.997 232 E CA 1.538 57.785 56.400 -0.255 0.000 0.801 232 E CB -0.175 29.397 29.700 -0.213 0.000 0.746 232 E HN 0.241 nan 8.360 nan 0.000 0.450 233 R N -0.060 120.107 120.500 -0.554 0.000 2.073 233 R HA -0.163 4.178 4.340 0.001 0.000 0.234 233 R C 2.437 178.577 176.300 -0.267 0.000 1.134 233 R CA 1.918 57.736 56.100 -0.470 0.000 0.952 233 R CB -0.190 29.770 30.300 -0.567 0.000 0.850 233 R HN 0.348 nan 8.270 nan 0.000 0.433 234 Q N 0.039 119.690 119.800 -0.248 0.000 2.079 234 Q HA -0.112 4.229 4.340 0.001 0.000 0.200 234 Q C 2.212 178.052 176.000 -0.267 0.000 0.974 234 Q CA 1.524 57.204 55.803 -0.205 0.000 0.840 234 Q CB 0.010 28.644 28.738 -0.174 0.000 0.898 234 Q HN 0.437 nan 8.270 nan 0.000 0.430 235 I N 1.002 121.374 120.570 -0.330 0.000 2.252 235 I HA -0.267 3.903 4.170 0.001 0.000 0.245 235 I C 1.716 177.668 176.117 -0.274 0.000 1.102 235 I CA 0.645 61.672 61.300 -0.455 0.000 1.385 235 I CB -0.361 37.398 38.000 -0.402 0.000 1.064 235 I HN 0.209 nan 8.210 nan 0.000 0.414 236 N N 0.853 119.441 118.700 -0.187 0.000 2.094 236 N HA -0.153 4.588 4.740 0.001 0.000 0.191 236 N C 1.924 177.380 175.510 -0.090 0.000 1.023 236 N CA 1.250 54.233 53.050 -0.112 0.000 0.857 236 N CB -0.670 37.759 38.487 -0.098 0.000 1.013 236 N HN 0.167 nan 8.380 nan 0.000 0.426 237 V N 0.708 120.558 119.914 -0.106 0.000 2.295 237 V HA -0.168 3.953 4.120 0.001 0.000 0.246 237 V C 2.387 178.448 176.094 -0.054 0.000 1.049 237 V CA 1.276 63.534 62.300 -0.069 0.000 1.024 237 V CB -0.517 31.265 31.823 -0.068 0.000 0.648 237 V HN 0.086 nan 8.190 nan 0.000 0.447 238 V N -0.376 119.486 119.914 -0.086 0.000 2.379 238 V HA -0.168 3.953 4.120 0.001 0.000 0.245 238 V C 2.125 178.235 176.094 0.026 0.000 1.044 238 V CA 1.653 63.935 62.300 -0.031 0.000 1.036 238 V CB -0.638 31.157 31.823 -0.047 0.000 0.664 238 V HN 0.580 nan 8.190 nan 0.000 0.453 239 E N -0.161 120.048 120.200 0.015 0.000 2.502 239 E HA -0.033 4.318 4.350 0.001 0.000 0.194 239 E C 1.027 177.644 176.600 0.027 0.000 1.062 239 E CA 0.044 56.478 56.400 0.058 0.000 0.867 239 E CB 0.096 29.849 29.700 0.089 0.000 0.888 239 E HN 0.649 nan 8.360 nan 0.000 0.510 240 E N 0.156 120.361 120.200 0.008 0.000 2.349 240 E HA 0.099 4.449 4.350 0.001 0.000 0.201 240 E C 0.433 177.039 176.600 0.011 0.000 1.087 240 E CA -0.239 56.166 56.400 0.008 0.000 1.128 240 E CB 0.440 30.140 29.700 -0.000 0.000 1.188 240 E HN 0.293 nan 8.360 nan 0.000 0.445 241 G N 1.105 109.917 108.800 0.019 0.000 2.283 241 G HA2 -0.270 3.691 3.960 0.001 0.000 0.280 241 G HA3 -0.270 3.691 3.960 0.001 0.000 0.280 241 G C 0.304 175.213 174.900 0.015 0.000 1.029 241 G CA 0.241 45.353 45.100 0.020 0.000 0.840 241 G HN 0.439 nan 8.290 nan 0.000 0.505 242 G N -1.071 107.736 108.800 0.011 0.000 2.482 242 G HA2 0.626 4.587 3.960 0.001 0.000 0.317 242 G HA3 0.626 4.587 3.960 0.001 0.000 0.317 242 G C -0.321 174.582 174.900 0.005 0.000 1.241 242 G CA -0.687 44.417 45.100 0.006 0.000 0.967 242 G HN 0.300 nan 8.290 nan 0.000 0.482 243 E N 0.076 120.281 120.200 0.008 0.000 2.344 243 E HA 0.146 4.497 4.350 0.001 0.000 0.270 243 E C -0.003 176.597 176.600 0.001 0.000 1.021 243 E CA -0.202 56.204 56.400 0.009 0.000 0.887 243 E CB 2.191 31.899 29.700 0.013 0.000 0.997 243 E HN 0.276 nan 8.360 nan 0.000 0.429 244 V N 4.950 124.862 119.914 -0.004 0.000 2.530 244 V HA 0.159 4.280 4.120 0.001 0.000 0.282 244 V C -0.190 175.905 176.094 0.002 0.000 1.048 244 V CA -0.282 62.011 62.300 -0.012 0.000 0.997 244 V CB 1.406 33.212 31.823 -0.030 0.000 0.987 244 V HN 0.392 nan 8.190 nan 0.000 0.477 245 V N 6.585 126.502 119.914 0.005 0.000 2.716 245 V HA 0.409 4.530 4.120 0.001 0.000 0.304 245 V C 0.185 176.288 176.094 0.016 0.000 1.053 245 V CA -0.455 61.853 62.300 0.013 0.000 0.984 245 V CB 1.774 33.607 31.823 0.016 0.000 1.021 245 V HN 1.063 nan 8.190 nan 0.000 0.467 246 Q N 5.378 125.190 119.800 0.019 0.000 2.349 246 Q HA 0.395 4.736 4.340 0.001 0.000 0.254 246 Q C -0.473 175.542 176.000 0.024 0.000 0.980 246 Q CA -0.250 55.566 55.803 0.022 0.000 0.924 246 Q CB 0.582 29.333 28.738 0.022 0.000 1.209 246 Q HN 0.906 nan 8.270 nan 0.000 0.445 247 E N 2.034 122.250 120.200 0.027 0.000 2.458 247 E HA 0.490 4.841 4.350 0.001 0.000 0.278 247 E C -1.223 175.398 176.600 0.035 0.000 1.004 247 E CA -0.923 55.496 56.400 0.031 0.000 0.823 247 E CB 1.240 30.962 29.700 0.036 0.000 1.396 247 E HN 0.321 nan 8.360 nan 0.000 0.463 248 T N 0.615 115.192 114.554 0.038 0.000 2.907 248 T HA 0.577 4.928 4.350 0.001 0.000 0.284 248 T C -0.216 174.518 174.700 0.056 0.000 1.004 248 T CA -0.619 61.507 62.100 0.043 0.000 1.063 248 T CB 0.995 69.886 68.868 0.039 0.000 0.992 248 T HN 0.299 nan 8.240 nan 0.000 0.483 249 R N 0.190 120.729 120.500 0.064 0.000 2.855 249 R HA 0.707 5.048 4.340 0.001 0.000 0.266 249 R C -0.783 175.576 176.300 0.098 0.000 1.034 249 R CA -0.885 55.266 56.100 0.085 0.000 0.944 249 R CB 2.097 32.447 30.300 0.083 0.000 1.219 249 R HN 0.647 nan 8.270 nan 0.000 0.474 250 T N -0.005 114.623 114.554 0.124 0.000 2.930 250 T HA 0.558 4.909 4.350 0.001 0.000 0.290 250 T C -1.370 173.428 174.700 0.164 0.000 1.052 250 T CA -0.645 61.539 62.100 0.140 0.000 1.017 250 T CB 1.384 70.334 68.868 0.136 0.000 1.137 250 T HN 0.417 nan 8.240 nan 0.000 0.511 251 F N 1.840 121.770 119.950 -0.033 0.000 2.536 251 F HA 0.391 4.919 4.527 0.001 0.000 0.322 251 F C -0.966 174.756 175.800 -0.129 0.000 1.144 251 F CA -0.971 56.959 58.000 -0.116 0.000 0.924 251 F CB 1.343 40.282 39.000 -0.102 0.000 1.181 251 F HN 0.549 nan 8.300 nan 0.000 0.438 252 D N 8.857 128.807 120.400 -0.750 0.000 2.347 252 D HA 0.234 4.875 4.640 0.001 0.000 0.235 252 D C -1.978 173.647 176.300 -1.124 0.000 1.149 252 D CA -1.890 51.707 54.000 -0.671 0.000 0.850 252 D CB 2.054 42.722 40.800 -0.219 0.000 1.061 252 D HN 0.271 nan 8.370 nan 0.000 0.487 253 P HA -0.265 nan 4.420 nan 0.000 0.216 253 P C 1.547 178.572 177.300 -0.458 0.000 1.167 253 P CA 1.562 64.027 63.100 -1.058 0.000 0.933 253 P CB 0.222 31.390 31.700 -0.886 0.000 0.793 254 Q N -1.427 118.207 119.800 -0.276 0.000 2.062 254 Q HA -0.231 4.109 4.340 0.001 0.000 0.209 254 Q C 2.288 178.212 176.000 -0.126 0.000 0.996 254 Q CA 2.482 58.210 55.803 -0.124 0.000 0.859 254 Q CB -1.825 26.858 28.738 -0.091 0.000 0.920 254 Q HN 0.319 nan 8.270 nan 0.000 0.415 255 T N -1.234 113.210 114.554 -0.184 0.000 2.942 255 T HA 0.050 4.401 4.350 0.001 0.000 0.265 255 T C 1.199 175.778 174.700 -0.201 0.000 1.062 255 T CA 1.710 63.721 62.100 -0.148 0.000 1.139 255 T CB -0.354 68.471 68.868 -0.072 0.000 0.883 255 T HN 0.647 nan 8.240 nan 0.000 0.468 256 G N 1.374 109.963 108.800 -0.352 0.000 2.147 256 G HA2 -0.199 3.761 3.960 0.001 0.000 0.244 256 G HA3 -0.199 3.761 3.960 0.001 0.000 0.244 256 G C -0.128 174.639 174.900 -0.221 0.000 1.005 256 G CA 0.404 45.382 45.100 -0.204 0.000 0.713 256 G HN 0.657 nan 8.290 nan 0.000 0.515 257 K N 0.126 120.195 120.400 -0.552 0.000 2.385 257 K HA 0.673 4.994 4.320 0.001 0.000 0.248 257 K C 0.179 176.287 176.600 -0.820 0.000 0.955 257 K CA -0.317 55.438 56.287 -0.886 0.000 0.816 257 K CB 1.811 33.700 32.500 -1.019 0.000 1.250 257 K HN 0.256 nan 8.250 nan 0.000 0.434 258 T N -1.077 113.148 114.554 -0.548 0.000 2.907 258 T HA 0.512 4.863 4.350 0.001 0.000 0.284 258 T C -0.702 173.709 174.700 -0.482 0.000 1.004 258 T CA -0.589 61.343 62.100 -0.281 0.000 1.063 258 T CB 0.293 69.239 68.868 0.130 0.000 0.992 258 T HN 0.425 nan 8.240 nan 0.000 0.483 259 Y N 1.616 121.975 120.300 0.099 0.000 2.421 259 Y HA 0.460 5.011 4.550 0.001 0.000 0.339 259 Y C -2.290 173.644 175.900 0.057 0.000 0.996 259 Y CA -2.635 55.502 58.100 0.061 0.000 1.046 259 Y CB 2.256 40.722 38.460 0.011 0.000 1.226 259 Y HN 0.523 nan 8.280 nan 0.000 0.445 260 P HA 0.123 nan 4.420 nan 0.000 0.272 260 P C -0.816 176.551 177.300 0.112 0.000 1.254 260 P CA -0.001 63.175 63.100 0.128 0.000 0.795 260 P CB 1.033 32.794 31.700 0.101 0.000 1.022 261 M N -0.091 119.554 119.600 0.074 0.000 2.644 261 M HA 0.391 4.871 4.480 0.001 0.000 0.316 261 M C 1.643 177.964 176.300 0.035 0.000 1.200 261 M CA -0.609 54.723 55.300 0.054 0.000 0.944 261 M CB 1.997 34.626 32.600 0.048 0.000 1.691 261 M HN 0.250 nan 8.290 nan 0.000 0.471 262 R N -0.426 120.087 120.500 0.021 0.000 2.323 262 R HA 0.062 4.403 4.340 0.001 0.000 0.198 262 R C -0.309 175.999 176.300 0.014 0.000 0.988 262 R CA 0.616 56.723 56.100 0.011 0.000 1.041 262 R CB -0.718 29.581 30.300 -0.002 0.000 0.926 262 R HN 0.708 nan 8.270 nan 0.000 0.476 263 T N -1.055 113.511 114.554 0.020 0.000 2.772 263 T HA 0.359 4.710 4.350 0.001 0.000 0.288 263 T C -0.216 174.497 174.700 0.022 0.000 0.994 263 T CA -1.033 61.080 62.100 0.021 0.000 0.951 263 T CB 1.910 70.794 68.868 0.025 0.000 0.933 263 T HN 0.055 nan 8.240 nan 0.000 0.447 264 K N 2.188 122.599 120.400 0.019 0.000 2.968 264 K HA 0.092 4.413 4.320 0.001 0.000 0.249 264 K C 0.221 176.831 176.600 0.017 0.000 1.062 264 K CA 0.004 56.301 56.287 0.018 0.000 1.215 264 K CB -0.030 32.479 32.500 0.015 0.000 1.097 264 K HN 0.680 nan 8.250 nan 0.000 0.462 265 E N 2.164 122.376 120.200 0.020 0.000 2.081 265 E HA -0.016 4.335 4.350 0.001 0.000 0.270 265 E C -0.214 176.394 176.600 0.013 0.000 1.180 265 E CA 0.021 56.434 56.400 0.021 0.000 0.926 265 E CB 0.419 30.138 29.700 0.032 0.000 1.035 265 E HN 0.278 nan 8.360 nan 0.000 0.418 266 E N 1.197 121.401 120.200 0.006 0.000 2.585 266 E HA 0.235 4.586 4.350 0.001 0.000 0.256 266 E C 0.026 176.614 176.600 -0.020 0.000 1.383 266 E CA -0.438 55.960 56.400 -0.004 0.000 1.029 266 E CB 0.418 30.115 29.700 -0.006 0.000 1.044 266 E HN 0.468 nan 8.360 nan 0.000 0.595 267 A N 0.509 123.305 122.820 -0.041 0.000 2.257 267 A HA 0.310 4.630 4.320 0.001 0.000 0.289 267 A C -0.362 177.143 177.584 -0.131 0.000 1.095 267 A CA -0.278 51.701 52.037 -0.097 0.000 0.836 267 A CB 0.602 19.541 19.000 -0.101 0.000 1.111 267 A HN 0.548 nan 8.150 nan 0.000 0.497 268 E N 0.346 120.399 120.200 -0.243 0.000 2.256 268 E HA 0.184 4.535 4.350 0.001 0.000 0.268 268 E C -1.482 174.878 176.600 -0.399 0.000 0.877 268 E CA -0.854 55.417 56.400 -0.216 0.000 0.757 268 E CB 1.631 31.274 29.700 -0.094 0.000 1.183 268 E HN 0.710 nan 8.360 nan 0.000 0.418 269 D N 1.897 122.163 120.400 -0.224 0.000 2.923 269 D HA -0.174 4.467 4.640 0.001 0.000 0.220 269 D C -0.028 176.160 176.300 -0.186 0.000 1.099 269 D CA 1.032 54.936 54.000 -0.161 0.000 0.807 269 D CB 0.461 41.231 40.800 -0.050 0.000 1.155 269 D HN 0.493 nan 8.370 nan 0.000 0.524 270 Y N 3.119 123.384 120.300 -0.058 0.000 2.546 270 Y HA 0.075 4.625 4.550 0.001 0.000 0.287 270 Y C 1.226 177.013 175.900 -0.189 0.000 1.158 270 Y CA 0.109 58.070 58.100 -0.231 0.000 1.307 270 Y CB 0.049 38.087 38.460 -0.704 0.000 1.036 270 Y HN 0.407 nan 8.280 nan 0.000 0.532 271 R N -0.719 119.818 120.500 0.061 0.000 3.251 271 R HA -0.249 4.091 4.340 0.001 0.000 0.249 271 R C -1.101 175.333 176.300 0.223 0.000 0.949 271 R CA 0.134 56.279 56.100 0.074 0.000 0.645 271 R CB -2.664 27.581 30.300 -0.092 0.000 1.065 271 R HN 0.275 nan 8.270 nan 0.000 0.452 272 Y N 1.065 121.453 120.300 0.147 0.000 2.578 272 Y HA 0.232 4.783 4.550 0.001 0.000 0.339 272 Y C 1.048 177.154 175.900 0.342 0.000 1.231 272 Y CA 0.893 59.061 58.100 0.113 0.000 1.461 272 Y CB 0.374 38.642 38.460 -0.321 0.000 1.323 272 Y HN 0.269 nan 8.280 nan 0.000 0.590 273 F N 0.028 120.076 119.950 0.165 0.000 2.765 273 F HA 0.529 5.057 4.527 0.001 0.000 0.313 273 F C -3.476 172.363 175.800 0.066 0.000 1.136 273 F CA -2.873 55.194 58.000 0.112 0.000 0.952 273 F CB 0.877 39.925 39.000 0.080 0.000 1.268 273 F HN 0.115 nan 8.300 nan 0.000 0.441 274 P HA 0.005 nan 4.420 nan 0.000 0.265 274 P C -0.789 176.123 177.300 -0.647 0.000 1.193 274 P CA 0.276 63.215 63.100 -0.267 0.000 0.765 274 P CB 0.508 32.149 31.700 -0.100 0.000 0.823 275 D N 4.575 124.692 120.400 -0.472 0.000 2.401 275 D HA 0.004 4.645 4.640 0.001 0.000 0.254 275 D C -1.213 174.897 176.300 -0.316 0.000 1.192 275 D CA -1.470 52.231 54.000 -0.499 0.000 0.885 275 D CB 0.693 41.296 40.800 -0.327 0.000 1.147 275 D HN 0.235 nan 8.370 nan 0.000 0.478 276 P HA -0.027 nan 4.420 nan 0.000 0.237 276 P C 0.315 177.562 177.300 -0.089 0.000 1.178 276 P CA 0.425 63.448 63.100 -0.129 0.000 0.766 276 P CB 0.521 32.187 31.700 -0.057 0.000 0.876 277 D N -0.234 120.094 120.400 -0.120 0.000 2.347 277 D HA 0.089 4.730 4.640 0.001 0.000 0.213 277 D C 0.729 176.975 176.300 -0.089 0.000 0.985 277 D CA 0.638 54.582 54.000 -0.094 0.000 0.879 277 D CB 0.461 41.194 40.800 -0.111 0.000 0.919 277 D HN 0.290 nan 8.370 nan 0.000 0.526 278 L N 0.777 121.949 121.223 -0.086 0.000 2.386 278 L HA 0.297 4.638 4.340 0.001 0.000 0.271 278 L C 0.164 177.053 176.870 0.032 0.000 0.993 278 L CA -1.195 53.629 54.840 -0.027 0.000 0.819 278 L CB 2.442 44.476 42.059 -0.041 0.000 1.294 278 L HN -0.257 nan 8.230 nan 0.000 0.414 279 V N 0.104 120.053 119.914 0.059 0.000 3.185 279 V HA 0.470 4.591 4.120 0.001 0.000 0.305 279 V C -2.193 173.972 176.094 0.119 0.000 1.090 279 V CA -1.575 60.766 62.300 0.068 0.000 1.107 279 V CB -0.319 31.539 31.823 0.058 0.000 1.061 279 V HN 0.571 nan 8.190 nan 0.000 0.480 280 P HA 0.178 nan 4.420 nan 0.000 0.267 280 P C -0.589 176.781 177.300 0.117 0.000 1.200 280 P CA -0.279 62.872 63.100 0.084 0.000 0.772 280 P CB 0.208 31.933 31.700 0.041 0.000 0.855 281 L N 3.386 124.665 121.223 0.095 0.000 2.433 281 L HA 0.155 4.495 4.340 0.001 0.000 0.284 281 L C 0.056 176.987 176.870 0.102 0.000 1.120 281 L CA 0.438 55.358 54.840 0.133 0.000 0.879 281 L CB -0.869 41.219 42.059 0.049 0.000 1.232 281 L HN 0.161 nan 8.230 nan 0.000 0.454 282 K N 3.923 124.399 120.400 0.126 0.000 2.253 282 K HA 0.450 4.771 4.320 0.001 0.000 0.277 282 K C -1.130 175.573 176.600 0.170 0.000 1.053 282 K CA -0.494 55.862 56.287 0.115 0.000 0.892 282 K CB 1.277 33.830 32.500 0.087 0.000 1.102 282 K HN 0.404 nan 8.250 nan 0.000 0.469 283 V N 5.727 125.748 119.914 0.179 0.000 2.313 283 V HA 0.139 4.260 4.120 0.001 0.000 0.278 283 V C 0.049 176.276 176.094 0.221 0.000 1.017 283 V CA -0.918 61.543 62.300 0.268 0.000 0.823 283 V CB 1.058 32.991 31.823 0.185 0.000 1.010 283 V HN 0.632 nan 8.190 nan 0.000 0.443 284 K N 3.113 123.671 120.400 0.263 0.000 2.527 284 K HA -0.027 4.293 4.320 0.001 0.000 0.278 284 K C 1.236 177.947 176.600 0.185 0.000 0.981 284 K CA 0.244 56.645 56.287 0.190 0.000 1.009 284 K CB 0.745 33.345 32.500 0.168 0.000 0.895 284 K HN 0.599 nan 8.250 nan 0.000 0.493 285 K N 2.484 122.954 120.400 0.116 0.000 2.097 285 K HA -0.181 4.140 4.320 0.001 0.000 0.206 285 K C 1.145 177.807 176.600 0.103 0.000 1.049 285 K CA 1.710 58.047 56.287 0.084 0.000 0.933 285 K CB 0.149 32.682 32.500 0.056 0.000 0.717 285 K HN 0.432 nan 8.250 nan 0.000 0.442 286 E N -0.685 119.588 120.200 0.122 0.000 2.204 286 E HA -0.172 4.179 4.350 0.001 0.000 0.194 286 E C 1.242 177.965 176.600 0.204 0.000 0.989 286 E CA 0.995 57.469 56.400 0.124 0.000 0.824 286 E CB -0.145 29.612 29.700 0.095 0.000 0.756 286 E HN 0.432 nan 8.360 nan 0.000 0.477 287 W N 0.947 122.256 121.300 0.014 0.000 2.408 287 W HA -0.000 4.660 4.660 0.001 0.000 0.311 287 W C 1.635 178.163 176.519 0.015 0.000 1.190 287 W CA 0.807 58.163 57.345 0.017 0.000 1.321 287 W CB -0.684 28.790 29.460 0.022 0.000 1.143 287 W HN -0.024 nan 8.180 nan 0.000 0.501 288 I N 0.715 121.309 120.570 0.039 0.000 2.143 288 I HA -0.406 3.765 4.170 0.001 0.000 0.245 288 I C 2.169 178.262 176.117 -0.041 0.000 1.068 288 I CA 2.203 63.447 61.300 -0.092 0.000 1.326 288 I CB -0.722 37.245 38.000 -0.056 0.000 1.028 288 I HN 0.052 nan 8.210 nan 0.000 0.412 289 E N -0.072 120.142 120.200 0.023 0.000 2.274 289 E HA -0.223 4.128 4.350 0.001 0.000 0.194 289 E C 2.060 178.684 176.600 0.040 0.000 0.996 289 E CA 0.685 57.100 56.400 0.025 0.000 0.840 289 E CB 0.037 29.760 29.700 0.038 0.000 0.772 289 E HN 0.465 nan 8.360 nan 0.000 0.491 290 E N 0.619 120.868 120.200 0.082 0.000 2.076 290 E HA -0.138 4.213 4.350 0.001 0.000 0.190 290 E C 1.965 178.603 176.600 0.064 0.000 0.979 290 E CA 0.559 57.022 56.400 0.104 0.000 0.807 290 E CB 0.098 29.918 29.700 0.200 0.000 0.761 290 E HN 0.202 nan 8.360 nan 0.000 0.454 291 I N 1.181 121.756 120.570 0.008 0.000 2.286 291 I HA -0.252 3.918 4.170 0.001 0.000 0.248 291 I C 2.645 178.734 176.117 -0.047 0.000 1.115 291 I CA 1.054 62.322 61.300 -0.052 0.000 1.392 291 I CB -0.166 37.721 38.000 -0.188 0.000 1.065 291 I HN 0.077 nan 8.210 nan 0.000 0.418 292 K N 1.548 121.920 120.400 -0.047 0.000 2.002 292 K HA -0.264 4.057 4.320 0.001 0.000 0.209 292 K C 2.261 178.850 176.600 -0.018 0.000 1.048 292 K CA 1.756 58.018 56.287 -0.041 0.000 0.930 292 K CB -0.096 32.380 32.500 -0.039 0.000 0.714 292 K HN 0.145 nan 8.250 nan 0.000 0.438 293 K N 0.052 120.452 120.400 0.000 0.000 2.148 293 K HA -0.103 4.218 4.320 0.001 0.000 0.204 293 K C 0.893 177.501 176.600 0.012 0.000 1.050 293 K CA 1.515 57.808 56.287 0.010 0.000 0.942 293 K CB 0.033 32.545 32.500 0.021 0.000 0.724 293 K HN 0.140 nan 8.250 nan 0.000 0.446 294 N N 0.883 119.593 118.700 0.016 0.000 2.268 294 N HA -0.001 4.740 4.740 0.001 0.000 0.204 294 N C -0.128 175.387 175.510 0.009 0.000 1.124 294 N CA -0.034 53.028 53.050 0.020 0.000 0.838 294 N CB 0.154 38.663 38.487 0.036 0.000 0.994 294 N HN 0.232 nan 8.380 nan 0.000 0.489 295 M N 2.261 121.858 119.600 -0.005 0.000 2.269 295 M HA 0.148 4.629 4.480 0.001 0.000 0.350 295 M C -2.227 174.071 176.300 -0.002 0.000 1.429 295 M CA -1.045 54.245 55.300 -0.017 0.000 1.063 295 M CB 0.261 32.842 32.600 -0.032 0.000 1.841 295 M HN -0.149 nan 8.290 nan 0.000 0.455 296 P HA -0.059 nan 4.420 nan 0.000 0.267 296 P C -1.090 176.237 177.300 0.046 0.000 1.195 296 P CA 0.008 63.120 63.100 0.020 0.000 0.773 296 P CB 0.301 32.006 31.700 0.008 0.000 0.837 297 E N 1.307 121.556 120.200 0.081 0.000 2.414 297 E HA 0.103 4.453 4.350 0.001 0.000 0.263 297 E C -0.648 176.055 176.600 0.173 0.000 1.000 297 E CA -0.116 56.349 56.400 0.110 0.000 0.914 297 E CB 0.178 29.957 29.700 0.132 0.000 0.948 297 E HN 0.280 nan 8.360 nan 0.000 0.444 298 L N 5.480 126.727 121.223 0.040 0.000 2.334 298 L HA 0.299 4.640 4.340 0.001 0.000 0.270 298 L C -1.726 174.957 176.870 -0.312 0.000 1.018 298 L CA -2.186 52.587 54.840 -0.112 0.000 0.811 298 L CB 1.283 43.272 42.059 -0.116 0.000 1.271 298 L HN 0.487 nan 8.230 nan 0.000 0.443 299 P HA -0.163 nan 4.420 nan 0.000 0.216 299 P C 0.428 177.586 177.300 -0.237 0.000 1.150 299 P CA 1.250 63.931 63.100 -0.698 0.000 0.843 299 P CB 0.235 31.521 31.700 -0.690 0.000 0.787 300 D N -1.379 118.920 120.400 -0.169 0.000 2.194 300 D HA -0.084 4.557 4.640 0.001 0.000 0.204 300 D C 2.081 178.405 176.300 0.039 0.000 0.964 300 D CA 0.889 54.859 54.000 -0.051 0.000 0.846 300 D CB -0.459 40.301 40.800 -0.067 0.000 0.962 300 D HN 0.293 nan 8.370 nan 0.000 0.490 301 Q N 0.324 120.125 119.800 0.003 0.000 2.016 301 Q HA -0.068 4.272 4.340 0.001 0.000 0.200 301 Q C 2.268 178.310 176.000 0.070 0.000 0.978 301 Q CA 0.869 56.694 55.803 0.038 0.000 0.833 301 Q CB 0.009 28.760 28.738 0.022 0.000 0.895 301 Q HN 0.131 nan 8.270 nan 0.000 0.427 302 R N 0.074 120.612 120.500 0.063 0.000 2.096 302 R HA -0.161 4.180 4.340 0.001 0.000 0.235 302 R C 2.134 178.504 176.300 0.115 0.000 1.127 302 R CA 1.150 57.314 56.100 0.106 0.000 0.968 302 R CB -0.259 30.131 30.300 0.151 0.000 0.861 302 R HN 0.231 nan 8.270 nan 0.000 0.440 303 F N 2.145 122.079 119.950 -0.026 0.000 2.095 303 F HA -0.225 4.302 4.527 0.001 0.000 0.298 303 F C 2.126 177.929 175.800 0.005 0.000 1.104 303 F CA 1.720 59.705 58.000 -0.024 0.000 1.232 303 F CB 0.003 38.971 39.000 -0.053 0.000 0.987 303 F HN 0.021 nan 8.300 nan 0.000 0.475 304 E N 0.068 120.329 120.200 0.102 0.000 2.150 304 E HA -0.207 4.144 4.350 0.001 0.000 0.193 304 E C 2.308 178.904 176.600 -0.006 0.000 0.985 304 E CA 0.857 57.267 56.400 0.018 0.000 0.814 304 E CB -0.551 29.203 29.700 0.091 0.000 0.752 304 E HN 0.477 nan 8.360 nan 0.000 0.466 305 R N 0.720 121.243 120.500 0.038 0.000 2.115 305 R HA -0.023 4.318 4.340 0.001 0.000 0.230 305 R C 2.418 178.797 176.300 0.131 0.000 1.111 305 R CA 0.549 56.694 56.100 0.075 0.000 0.976 305 R CB -0.058 30.304 30.300 0.104 0.000 0.870 305 R HN 0.130 nan 8.270 nan 0.000 0.445 306 L N 0.248 121.525 121.223 0.089 0.000 2.072 306 L HA -0.121 4.220 4.340 0.001 0.000 0.205 306 L C 2.322 179.253 176.870 0.101 0.000 1.079 306 L CA 0.986 55.919 54.840 0.155 0.000 0.752 306 L CB -0.273 41.744 42.059 -0.070 0.000 0.906 306 L HN 0.223 nan 8.230 nan 0.000 0.436 307 I N -0.138 120.381 120.570 -0.084 0.000 2.264 307 I HA -0.330 3.841 4.170 0.001 0.000 0.248 307 I C 2.461 178.575 176.117 -0.004 0.000 1.111 307 I CA 1.559 62.805 61.300 -0.090 0.000 1.382 307 I CB -0.208 37.683 38.000 -0.182 0.000 1.060 307 I HN 0.239 nan 8.210 nan 0.000 0.418 308 K N 0.238 120.645 120.400 0.012 0.000 2.063 308 K HA -0.083 4.238 4.320 0.001 0.000 0.204 308 K C 2.096 178.693 176.600 -0.006 0.000 1.039 308 K CA 0.715 57.005 56.287 0.005 0.000 0.957 308 K CB -0.071 32.428 32.500 -0.001 0.000 0.764 308 K HN 0.132 nan 8.250 nan 0.000 0.447 309 E N -0.604 119.590 120.200 -0.011 0.000 2.338 309 E HA -0.139 4.212 4.350 0.001 0.000 0.197 309 E C 0.511 176.876 176.600 -0.391 0.000 1.007 309 E CA 1.123 57.397 56.400 -0.209 0.000 0.849 309 E CB 0.331 29.863 29.700 -0.279 0.000 0.774 309 E HN 0.370 nan 8.360 nan 0.000 0.506 310 Y N -2.431 117.895 120.300 0.042 0.000 2.476 310 Y HA 0.268 4.818 4.550 0.001 0.000 0.261 310 Y C 1.324 177.257 175.900 0.054 0.000 1.077 310 Y CA 0.148 58.297 58.100 0.081 0.000 1.240 310 Y CB 1.476 40.060 38.460 0.207 0.000 1.317 310 Y HN 0.079 nan 8.280 nan 0.000 0.540 311 G N 1.257 110.150 108.800 0.156 0.000 2.159 311 G HA2 -0.283 3.677 3.960 0.001 0.000 0.256 311 G HA3 -0.283 3.677 3.960 0.001 0.000 0.256 311 G C 0.263 175.198 174.900 0.057 0.000 0.977 311 G CA 0.167 45.312 45.100 0.075 0.000 0.652 311 G HN 0.211 nan 8.290 nan 0.000 0.531 312 L N 1.217 122.477 121.223 0.061 0.000 2.517 312 L HA 0.267 4.607 4.340 0.001 0.000 0.294 312 L C 1.620 178.459 176.870 -0.052 0.000 1.264 312 L CA 0.823 55.650 54.840 -0.022 0.000 0.839 312 L CB 0.029 42.013 42.059 -0.126 0.000 1.098 312 L HN 0.566 nan 8.230 nan 0.000 0.525 313 S N -0.010 115.669 115.700 -0.035 0.000 2.632 313 S HA 0.134 4.605 4.470 0.001 0.000 0.267 313 S C 0.717 175.295 174.600 -0.036 0.000 1.276 313 S CA -0.799 57.397 58.200 -0.005 0.000 0.998 313 S CB 1.423 64.662 63.200 0.064 0.000 0.953 313 S HN 0.639 nan 8.310 nan 0.000 0.547 314 E N -0.117 120.095 120.200 0.020 0.000 2.209 314 E HA -0.182 4.169 4.350 0.001 0.000 0.196 314 E C 1.338 178.069 176.600 0.218 0.000 0.993 314 E CA 1.319 57.788 56.400 0.115 0.000 0.819 314 E CB -0.262 29.569 29.700 0.218 0.000 0.745 314 E HN 0.851 nan 8.360 nan 0.000 0.477 315 Y N 1.578 121.906 120.300 0.045 0.000 2.184 315 Y HA -0.148 4.403 4.550 0.001 0.000 0.290 315 Y C 1.954 177.856 175.900 0.003 0.000 1.129 315 Y CA 1.561 59.681 58.100 0.033 0.000 1.144 315 Y CB 0.171 38.634 38.460 0.005 0.000 0.995 315 Y HN -0.066 nan 8.280 nan 0.000 0.513 316 E N 0.332 120.480 120.200 -0.088 0.000 2.028 316 E HA -0.171 4.180 4.350 0.001 0.000 0.191 316 E C 2.353 178.788 176.600 -0.275 0.000 0.988 316 E CA 1.071 57.324 56.400 -0.245 0.000 0.799 316 E CB -0.365 29.250 29.700 -0.142 0.000 0.755 316 E HN 0.557 nan 8.360 nan 0.000 0.447 317 A N 1.115 123.793 122.820 -0.237 0.000 1.972 317 A HA -0.091 4.230 4.320 0.001 0.000 0.219 317 A C 2.361 179.957 177.584 0.020 0.000 1.169 317 A CA 1.609 53.496 52.037 -0.249 0.000 0.635 317 A CB -1.087 17.614 19.000 -0.499 0.000 0.810 317 A HN 0.360 nan 8.150 nan 0.000 0.446 318 G N 0.198 109.129 108.800 0.220 0.000 2.446 318 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 318 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 318 G C 1.531 176.441 174.900 0.017 0.000 1.168 318 G CA 1.144 46.394 45.100 0.251 0.000 0.771 318 G HN 0.468 nan 8.290 nan 0.000 0.551 319 I N 0.472 120.961 120.570 -0.134 0.000 2.127 319 I HA -0.159 4.012 4.170 0.001 0.000 0.241 319 I C 2.666 178.738 176.117 -0.074 0.000 1.075 319 I CA 0.902 62.107 61.300 -0.158 0.000 1.334 319 I CB -0.147 37.673 38.000 -0.299 0.000 1.040 319 I HN 0.116 nan 8.210 nan 0.000 0.405 320 L N -0.462 120.693 121.223 -0.113 0.000 2.275 320 L HA -0.149 4.192 4.340 0.001 0.000 0.215 320 L C 2.336 179.228 176.870 0.036 0.000 1.119 320 L CA 0.735 55.522 54.840 -0.089 0.000 0.790 320 L CB -0.408 41.519 42.059 -0.221 0.000 0.919 320 L HN 0.154 nan 8.230 nan 0.000 0.443 321 V N -0.360 119.609 119.914 0.091 0.000 2.685 321 V HA -0.091 4.029 4.120 0.001 0.000 0.244 321 V C 1.991 178.212 176.094 0.211 0.000 1.054 321 V CA 0.995 63.410 62.300 0.191 0.000 1.076 321 V CB -0.195 31.744 31.823 0.193 0.000 0.725 321 V HN 0.420 nan 8.190 nan 0.000 0.467 322 N N -0.339 118.434 118.700 0.122 0.000 2.142 322 N HA -0.122 4.619 4.740 0.001 0.000 0.186 322 N C 1.179 176.788 175.510 0.165 0.000 1.023 322 N CA 1.070 54.179 53.050 0.099 0.000 0.852 322 N CB -0.362 38.140 38.487 0.025 0.000 0.998 322 N HN 0.611 nan 8.380 nan 0.000 0.424 323 H N 1.209 120.302 119.070 0.039 0.000 2.914 323 H HA 0.121 4.678 4.556 0.001 0.000 0.264 323 H C 1.151 176.498 175.328 0.033 0.000 1.433 323 H CA -0.346 55.716 56.048 0.023 0.000 1.342 323 H CB 0.378 30.130 29.762 -0.017 0.000 1.582 323 H HN 0.046 nan 8.280 nan 0.000 0.525 324 K N 2.847 123.376 120.400 0.215 0.000 2.107 324 K HA -0.258 4.063 4.320 0.001 0.000 0.211 324 K C 1.067 177.631 176.600 -0.061 0.000 1.049 324 K CA 2.197 58.486 56.287 0.003 0.000 0.927 324 K CB 0.243 32.523 32.500 -0.366 0.000 0.714 324 K HN 0.599 nan 8.250 nan 0.000 0.452 325 E N -0.085 120.054 120.200 -0.102 0.000 2.338 325 E HA -0.102 4.248 4.350 0.001 0.000 0.197 325 E C 1.731 178.222 176.600 -0.182 0.000 1.007 325 E CA 0.791 57.096 56.400 -0.158 0.000 0.849 325 E CB 0.168 29.766 29.700 -0.169 0.000 0.774 325 E HN 0.140 nan 8.360 nan 0.000 0.506 326 V N 0.056 119.800 119.914 -0.283 0.000 2.273 326 V HA -0.107 4.014 4.120 0.001 0.000 0.242 326 V C 2.326 178.434 176.094 0.024 0.000 1.035 326 V CA 1.859 64.046 62.300 -0.188 0.000 1.013 326 V CB -1.149 30.539 31.823 -0.226 0.000 0.652 326 V HN 0.413 nan 8.190 nan 0.000 0.452 327 G N 0.304 109.116 108.800 0.020 0.000 2.505 327 G HA2 -0.308 3.652 3.960 0.001 0.000 0.220 327 G HA3 -0.308 3.652 3.960 0.001 0.000 0.220 327 G C 1.199 176.193 174.900 0.157 0.000 1.145 327 G CA 1.386 46.541 45.100 0.091 0.000 0.761 327 G HN 0.532 nan 8.290 nan 0.000 0.571 328 D N -0.131 120.325 120.400 0.093 0.000 2.117 328 D HA -0.078 4.563 4.640 0.001 0.000 0.198 328 D C 1.989 178.346 176.300 0.096 0.000 0.982 328 D CA 0.395 54.437 54.000 0.068 0.000 0.828 328 D CB -0.474 40.333 40.800 0.012 0.000 0.967 328 D HN 0.341 nan 8.370 nan 0.000 0.464 329 F N 0.917 120.853 119.950 -0.023 0.000 2.043 329 F HA -0.277 4.250 4.527 0.001 0.000 0.297 329 F C 2.233 178.038 175.800 0.009 0.000 1.121 329 F CA 1.428 59.413 58.000 -0.025 0.000 1.199 329 F CB -0.414 38.565 39.000 -0.034 0.000 0.968 329 F HN -0.087 nan 8.300 nan 0.000 0.478 330 F N 1.180 121.259 119.950 0.215 0.000 2.192 330 F HA -0.227 4.300 4.527 0.001 0.000 0.301 330 F C 2.170 177.954 175.800 -0.027 0.000 1.079 330 F CA 2.164 60.212 58.000 0.081 0.000 1.303 330 F CB -0.493 38.499 39.000 -0.013 0.000 1.024 330 F HN 0.123 nan 8.300 nan 0.000 0.494 331 E N -0.418 119.721 120.200 -0.102 0.000 2.170 331 E HA -0.163 4.188 4.350 0.001 0.000 0.191 331 E C 2.037 178.570 176.600 -0.112 0.000 0.981 331 E CA 0.740 57.036 56.400 -0.173 0.000 0.830 331 E CB -0.181 29.526 29.700 0.012 0.000 0.775 331 E HN 0.579 nan 8.360 nan 0.000 0.470 332 E N 0.729 120.864 120.200 -0.108 0.000 2.152 332 E HA -0.133 4.218 4.350 0.001 0.000 0.192 332 E C 1.938 178.465 176.600 -0.123 0.000 0.983 332 E CA 0.709 57.050 56.400 -0.098 0.000 0.818 332 E CB 0.082 29.672 29.700 -0.182 0.000 0.758 332 E HN 0.173 nan 8.360 nan 0.000 0.467 333 A N 0.721 123.400 122.820 -0.235 0.000 1.855 333 A HA -0.131 4.189 4.320 0.001 0.000 0.215 333 A C 2.349 179.878 177.584 -0.093 0.000 1.191 333 A CA 1.307 53.221 52.037 -0.204 0.000 0.613 333 A CB -0.925 17.990 19.000 -0.141 0.000 0.829 333 A HN 0.263 nan 8.150 nan 0.000 0.442 334 V N -0.212 119.564 119.914 -0.230 0.000 2.720 334 V HA -0.228 3.893 4.120 0.001 0.000 0.256 334 V C 2.536 178.615 176.094 -0.025 0.000 1.082 334 V CA 2.422 64.620 62.300 -0.171 0.000 1.101 334 V CB -0.760 30.889 31.823 -0.290 0.000 0.693 334 V HN 0.614 nan 8.190 nan 0.000 0.479 335 R N -0.737 119.775 120.500 0.021 0.000 2.073 335 R HA -0.158 4.183 4.340 0.001 0.000 0.234 335 R C 2.139 178.469 176.300 0.050 0.000 1.134 335 R CA 2.098 58.224 56.100 0.042 0.000 0.952 335 R CB -0.329 30.005 30.300 0.058 0.000 0.850 335 R HN 0.675 nan 8.270 nan 0.000 0.433 336 H N -2.537 116.521 119.070 -0.019 0.000 2.559 336 H HA 0.089 4.645 4.556 0.001 0.000 0.273 336 H C -0.751 174.670 175.328 0.155 0.000 1.000 336 H CA 0.681 56.745 56.048 0.026 0.000 1.195 336 H CB 0.181 29.931 29.762 -0.019 0.000 1.368 336 H HN 0.019 nan 8.280 nan 0.000 0.592 337 F N -0.040 119.939 119.950 0.048 0.000 2.911 337 F HA 0.200 4.727 4.527 0.001 0.000 0.349 337 F C -0.466 175.340 175.800 0.010 0.000 1.222 337 F CA -1.430 56.582 58.000 0.020 0.000 1.164 337 F CB 0.931 39.944 39.000 0.022 0.000 1.454 337 F HN -0.315 nan 8.300 nan 0.000 0.616 338 K N 3.238 123.432 120.400 -0.343 0.000 3.277 338 K HA 0.028 4.348 4.320 0.001 0.000 0.291 338 K C -0.145 176.197 176.600 -0.430 0.000 0.994 338 K CA 0.229 56.334 56.287 -0.304 0.000 1.147 338 K CB -0.127 32.263 32.500 -0.184 0.000 1.185 338 K HN 0.458 nan 8.250 nan 0.000 0.422 339 E N 0.969 120.814 120.200 -0.593 0.000 2.167 339 E HA 0.125 4.476 4.350 0.001 0.000 0.247 339 E C -2.102 174.460 176.600 -0.064 0.000 0.961 339 E CA -2.596 53.578 56.400 -0.376 0.000 0.797 339 E CB 1.056 30.435 29.700 -0.534 0.000 1.182 339 E HN 0.072 nan 8.360 nan 0.000 0.437 340 P HA -0.064 nan 4.420 nan 0.000 0.217 340 P C 1.088 178.569 177.300 0.302 0.000 1.153 340 P CA 0.691 63.918 63.100 0.211 0.000 0.843 340 P CB 0.391 32.300 31.700 0.349 0.000 0.794 341 K N 0.052 120.570 120.400 0.197 0.000 2.148 341 K HA -0.046 4.275 4.320 0.001 0.000 0.204 341 K C 2.230 178.938 176.600 0.181 0.000 1.050 341 K CA 1.538 57.925 56.287 0.166 0.000 0.942 341 K CB -0.777 31.788 32.500 0.110 0.000 0.724 341 K HN 0.088 nan 8.250 nan 0.000 0.446 342 G N 1.288 110.208 108.800 0.201 0.000 2.404 342 G HA2 -0.197 3.764 3.960 0.001 0.000 0.215 342 G HA3 -0.197 3.764 3.960 0.001 0.000 0.215 342 G C 1.528 176.647 174.900 0.366 0.000 1.174 342 G CA 0.483 45.753 45.100 0.283 0.000 0.780 342 G HN 0.187 nan 8.290 nan 0.000 0.537 343 I N 1.253 122.024 120.570 0.335 0.000 2.226 343 I HA -0.190 3.981 4.170 0.001 0.000 0.245 343 I C 2.932 179.301 176.117 0.419 0.000 1.100 343 I CA 1.078 62.603 61.300 0.375 0.000 1.374 343 I CB -0.335 37.823 38.000 0.263 0.000 1.057 343 I HN 0.144 nan 8.210 nan 0.000 0.413 344 V N -0.021 120.141 119.914 0.413 0.000 2.287 344 V HA -0.278 3.843 4.120 0.001 0.000 0.248 344 V C 2.139 178.303 176.094 0.118 0.000 1.053 344 V CA 2.134 64.535 62.300 0.169 0.000 1.027 344 V CB -1.308 30.489 31.823 -0.043 0.000 0.646 344 V HN 0.381 nan 8.190 nan 0.000 0.447 345 N N 0.099 118.874 118.700 0.125 0.000 2.018 345 N HA -0.191 4.550 4.740 0.001 0.000 0.196 345 N C 1.438 176.941 175.510 -0.010 0.000 1.043 345 N CA 2.346 55.406 53.050 0.017 0.000 0.856 345 N CB -0.743 37.722 38.487 -0.037 0.000 1.042 345 N HN 0.697 nan 8.380 nan 0.000 0.423 346 W N 0.820 122.178 121.300 0.096 0.000 2.388 346 W HA 0.025 4.686 4.660 0.001 0.000 0.294 346 W C 2.134 178.697 176.519 0.074 0.000 1.212 346 W CA 0.095 57.492 57.345 0.086 0.000 1.271 346 W CB -0.552 28.970 29.460 0.103 0.000 1.126 346 W HN 0.093 nan 8.180 nan 0.000 0.535 347 L N 0.484 121.882 121.223 0.291 0.000 1.976 347 L HA -0.165 4.176 4.340 0.001 0.000 0.209 347 L C 2.002 178.904 176.870 0.053 0.000 1.071 347 L CA 2.031 56.968 54.840 0.162 0.000 0.746 347 L CB -1.155 41.013 42.059 0.183 0.000 0.890 347 L HN 0.000 nan 8.230 nan 0.000 0.432 348 I N 0.018 120.604 120.570 0.027 0.000 2.179 348 I HA -0.256 3.915 4.170 0.001 0.000 0.242 348 I C 1.734 177.848 176.117 -0.006 0.000 1.088 348 I CA 1.316 62.607 61.300 -0.015 0.000 1.357 348 I CB -0.447 37.539 38.000 -0.023 0.000 1.051 348 I HN 0.386 nan 8.210 nan 0.000 0.409 349 N N -0.230 118.457 118.700 -0.022 0.000 2.412 349 N HA -0.029 4.712 4.740 0.001 0.000 0.184 349 N C 0.752 176.230 175.510 -0.054 0.000 1.101 349 N CA 0.787 53.800 53.050 -0.061 0.000 0.881 349 N CB 0.305 38.705 38.487 -0.146 0.000 0.969 349 N HN 0.474 nan 8.380 nan 0.000 0.459 350 D N -0.769 119.637 120.400 0.011 0.000 2.954 350 D HA 0.005 4.645 4.640 0.001 0.000 0.266 350 D C 1.670 178.024 176.300 0.088 0.000 1.277 350 D CA -0.246 53.799 54.000 0.075 0.000 1.130 350 D CB 0.185 41.115 40.800 0.217 0.000 1.440 350 D HN -0.071 nan 8.370 nan 0.000 0.427 351 L N 1.930 123.215 121.223 0.103 0.000 1.976 351 L HA -0.107 4.233 4.340 0.001 0.000 0.209 351 L C 2.166 179.027 176.870 -0.016 0.000 1.071 351 L CA 1.522 56.391 54.840 0.049 0.000 0.746 351 L CB -0.730 41.345 42.059 0.028 0.000 0.890 351 L HN -0.015 nan 8.230 nan 0.000 0.432 352 L N 0.018 121.216 121.223 -0.043 0.000 2.042 352 L HA -0.129 4.212 4.340 0.001 0.000 0.210 352 L C 2.591 179.450 176.870 -0.019 0.000 1.076 352 L CA 2.005 56.813 54.840 -0.053 0.000 0.749 352 L CB -2.210 39.816 42.059 -0.054 0.000 0.893 352 L HN 0.436 nan 8.230 nan 0.000 0.432 353 G N -0.944 107.854 108.800 -0.003 0.000 2.446 353 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 353 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 353 G C 1.769 176.675 174.900 0.009 0.000 1.168 353 G CA 0.843 45.945 45.100 0.005 0.000 0.771 353 G HN 0.339 nan 8.290 nan 0.000 0.551 354 L N -0.043 121.190 121.223 0.016 0.000 1.970 354 L HA -0.089 4.252 4.340 0.001 0.000 0.212 354 L C 2.965 179.842 176.870 0.011 0.000 1.071 354 L CA 0.968 55.820 54.840 0.021 0.000 0.751 354 L CB -0.498 41.582 42.059 0.036 0.000 0.889 354 L HN 0.193 nan 8.230 nan 0.000 0.432 355 L N -0.996 120.228 121.223 0.001 0.000 2.127 355 L HA -0.216 4.125 4.340 0.001 0.000 0.211 355 L C 2.779 179.648 176.870 -0.002 0.000 1.089 355 L CA 1.108 55.944 54.840 -0.005 0.000 0.757 355 L CB -0.600 41.441 42.059 -0.029 0.000 0.899 355 L HN 0.206 nan 8.230 nan 0.000 0.434 356 R N 0.200 120.699 120.500 -0.002 0.000 2.091 356 R HA -0.170 4.171 4.340 0.001 0.000 0.238 356 R C 1.889 178.191 176.300 0.003 0.000 1.136 356 R CA 1.822 57.922 56.100 0.001 0.000 0.959 356 R CB -0.335 29.966 30.300 0.001 0.000 0.856 356 R HN 0.372 nan 8.270 nan 0.000 0.437 357 D N 0.096 120.499 120.400 0.005 0.000 2.178 357 D HA -0.111 4.530 4.640 0.001 0.000 0.202 357 D C 1.657 177.962 176.300 0.007 0.000 0.974 357 D CA 1.097 55.102 54.000 0.007 0.000 0.841 357 D CB 0.029 40.835 40.800 0.010 0.000 0.953 357 D HN 0.136 nan 8.370 nan 0.000 0.478 358 K N -0.725 119.680 120.400 0.008 0.000 2.186 358 K HA 0.102 4.423 4.320 0.001 0.000 0.202 358 K C 1.382 177.987 176.600 0.008 0.000 1.052 358 K CA 0.996 57.289 56.287 0.009 0.000 0.965 358 K CB 0.486 32.993 32.500 0.012 0.000 0.746 358 K HN 0.228 nan 8.250 nan 0.000 0.457 359 G N 2.111 110.915 108.800 0.006 0.000 2.163 359 G HA2 -0.212 3.748 3.960 0.001 0.000 0.213 359 G HA3 -0.212 3.748 3.960 0.001 0.000 0.213 359 G C 0.071 174.975 174.900 0.007 0.000 0.991 359 G CA 0.109 45.211 45.100 0.004 0.000 0.653 359 G HN 0.367 nan 8.290 nan 0.000 0.518 360 I N 1.878 122.453 120.570 0.008 0.000 2.396 360 I HA 0.706 4.876 4.170 0.001 0.000 0.292 360 I C 0.587 176.710 176.117 0.010 0.000 0.999 360 I CA -0.098 61.208 61.300 0.011 0.000 1.310 360 I CB 1.417 39.425 38.000 0.013 0.000 1.404 360 I HN 0.336 nan 8.210 nan 0.000 0.496 361 S N 6.002 121.711 115.700 0.016 0.000 2.554 361 S HA 0.247 4.717 4.470 0.001 0.000 0.278 361 S C 0.933 175.532 174.600 -0.001 0.000 1.242 361 S CA -0.740 57.476 58.200 0.027 0.000 1.051 361 S CB 1.543 64.770 63.200 0.045 0.000 0.986 361 S HN 0.831 nan 8.310 nan 0.000 0.502 362 I N 1.569 122.110 120.570 -0.047 0.000 2.479 362 I HA -0.204 3.967 4.170 0.001 0.000 0.258 362 I C 1.824 177.929 176.117 -0.020 0.000 1.165 362 I CA 1.678 62.890 61.300 -0.146 0.000 1.422 362 I CB -0.423 37.374 38.000 -0.338 0.000 1.087 362 I HN 0.830 nan 8.210 nan 0.000 0.441 363 E N 0.175 120.383 120.200 0.012 0.000 2.047 363 E HA -0.218 4.133 4.350 0.001 0.000 0.191 363 E C 1.960 178.597 176.600 0.061 0.000 0.987 363 E CA 1.394 57.823 56.400 0.048 0.000 0.799 363 E CB -0.174 29.545 29.700 0.033 0.000 0.752 363 E HN 0.452 nan 8.360 nan 0.000 0.449 364 E N 0.467 120.694 120.200 0.045 0.000 2.489 364 E HA 0.035 4.386 4.350 0.001 0.000 0.193 364 E C -0.278 176.358 176.600 0.060 0.000 1.057 364 E CA 0.019 56.446 56.400 0.046 0.000 0.866 364 E CB 0.190 29.910 29.700 0.032 0.000 0.916 364 E HN 0.153 nan 8.360 nan 0.000 0.500 365 S N 0.507 116.253 115.700 0.076 0.000 2.546 365 S HA 0.028 4.498 4.470 0.001 0.000 0.290 365 S C -1.730 172.945 174.600 0.125 0.000 1.290 365 S CA -1.035 57.218 58.200 0.088 0.000 1.069 365 S CB 1.044 64.285 63.200 0.068 0.000 0.846 365 S HN -0.122 nan 8.310 nan 0.000 0.495 366 P HA -0.046 nan 4.420 nan 0.000 0.216 366 P C -0.028 177.404 177.300 0.219 0.000 1.150 366 P CA 0.586 63.762 63.100 0.126 0.000 0.837 366 P CB -0.153 31.599 31.700 0.086 0.000 0.786 367 V N 1.197 121.253 119.914 0.237 0.000 2.421 367 V HA 0.027 4.147 4.120 0.001 0.000 0.271 367 V C 0.730 177.007 176.094 0.305 0.000 1.031 367 V CA 0.156 62.669 62.300 0.356 0.000 1.032 367 V CB -0.384 31.604 31.823 0.276 0.000 1.009 367 V HN 0.034 nan 8.190 nan 0.000 0.477 368 K N 5.904 126.289 120.400 -0.025 0.000 2.098 368 K HA 0.369 4.690 4.320 0.001 0.000 0.258 368 K C -1.672 174.576 176.600 -0.588 0.000 0.973 368 K CA -1.795 54.250 56.287 -0.402 0.000 0.898 368 K CB 1.142 33.271 32.500 -0.619 0.000 1.057 368 K HN 0.213 nan 8.250 nan 0.000 0.447 369 P HA -0.212 nan 4.420 nan 0.000 0.219 369 P C -0.092 176.836 177.300 -0.620 0.000 1.144 369 P CA 1.346 63.896 63.100 -0.916 0.000 0.806 369 P CB 0.284 31.411 31.700 -0.955 0.000 0.771 370 E N -1.925 117.855 120.200 -0.701 0.000 2.076 370 E HA -0.153 4.198 4.350 0.001 0.000 0.190 370 E C 1.873 178.363 176.600 -0.183 0.000 0.979 370 E CA 1.099 57.176 56.400 -0.539 0.000 0.807 370 E CB -1.087 28.355 29.700 -0.430 0.000 0.761 370 E HN 0.516 nan 8.360 nan 0.000 0.454 371 H N -0.036 118.943 119.070 -0.152 0.000 2.270 371 H HA -0.084 4.473 4.556 0.001 0.000 0.299 371 H C 2.046 177.333 175.328 -0.069 0.000 1.077 371 H CA 0.993 56.990 56.048 -0.085 0.000 1.294 371 H CB -0.104 29.630 29.762 -0.047 0.000 1.371 371 H HN 0.032 nan 8.280 nan 0.000 0.491 372 L N 0.993 122.277 121.223 0.101 0.000 2.079 372 L HA -0.148 4.192 4.340 0.001 0.000 0.210 372 L C 2.487 179.383 176.870 0.042 0.000 1.081 372 L CA 1.522 56.411 54.840 0.081 0.000 0.752 372 L CB -0.580 41.601 42.059 0.203 0.000 0.896 372 L HN 0.280 nan 8.230 nan 0.000 0.433 373 A N -1.013 121.825 122.820 0.029 0.000 1.902 373 A HA -0.268 4.053 4.320 0.001 0.000 0.217 373 A C 2.332 179.915 177.584 -0.002 0.000 1.181 373 A CA 1.861 53.951 52.037 0.088 0.000 0.623 373 A CB -0.693 18.364 19.000 0.095 0.000 0.818 373 A HN 0.591 nan 8.150 nan 0.000 0.443 374 E N -0.628 119.538 120.200 -0.056 0.000 2.051 374 E HA -0.200 4.151 4.350 0.001 0.000 0.192 374 E C 1.973 178.465 176.600 -0.181 0.000 0.991 374 E CA 1.414 57.733 56.400 -0.135 0.000 0.799 374 E CB -0.201 29.460 29.700 -0.066 0.000 0.748 374 E HN 0.463 nan 8.360 nan 0.000 0.449 375 L N 0.573 121.708 121.223 -0.147 0.000 2.046 375 L HA -0.149 4.192 4.340 0.001 0.000 0.208 375 L C 2.257 178.943 176.870 -0.307 0.000 1.077 375 L CA 1.316 56.017 54.840 -0.232 0.000 0.747 375 L CB -0.400 41.507 42.059 -0.254 0.000 0.896 375 L HN 0.010 nan 8.230 nan 0.000 0.432 376 V N -0.050 119.734 119.914 -0.216 0.000 2.407 376 V HA -0.301 3.820 4.120 0.001 0.000 0.248 376 V C 2.676 178.765 176.094 -0.009 0.000 1.055 376 V CA 2.026 64.264 62.300 -0.103 0.000 1.049 376 V CB -0.718 31.191 31.823 0.144 0.000 0.662 376 V HN 0.536 nan 8.190 nan 0.000 0.455 377 K N -0.013 120.249 120.400 -0.230 0.000 2.063 377 K HA -0.187 4.133 4.320 0.001 0.000 0.208 377 K C 2.074 178.488 176.600 -0.311 0.000 1.048 377 K CA 1.642 57.527 56.287 -0.669 0.000 0.928 377 K CB -0.221 31.577 32.500 -1.170 0.000 0.713 377 K HN 0.424 nan 8.250 nan 0.000 0.442 378 L N 0.926 122.007 121.223 -0.237 0.000 2.141 378 L HA -0.180 4.161 4.340 0.001 0.000 0.209 378 L C 2.255 179.068 176.870 -0.094 0.000 1.094 378 L CA 0.432 55.178 54.840 -0.155 0.000 0.763 378 L CB -0.350 41.615 42.059 -0.156 0.000 0.908 378 L HN 0.199 nan 8.230 nan 0.000 0.437 379 I N 0.024 120.541 120.570 -0.089 0.000 2.353 379 I HA -0.197 3.974 4.170 0.001 0.000 0.248 379 I C 2.492 178.649 176.117 0.067 0.000 1.119 379 I CA 1.299 62.597 61.300 -0.003 0.000 1.417 379 I CB -0.919 37.096 38.000 0.025 0.000 1.078 379 I HN 0.188 nan 8.210 nan 0.000 0.421 380 K N 1.523 121.978 120.400 0.093 0.000 2.155 380 K HA -0.099 4.222 4.320 0.001 0.000 0.203 380 K C 1.627 178.288 176.600 0.101 0.000 1.052 380 K CA 1.176 57.553 56.287 0.150 0.000 0.948 380 K CB -0.004 32.671 32.500 0.292 0.000 0.728 380 K HN 0.279 nan 8.250 nan 0.000 0.448 381 E N 0.226 120.454 120.200 0.046 0.000 2.445 381 E HA 0.034 4.385 4.350 0.001 0.000 0.189 381 E C -0.449 176.160 176.600 0.015 0.000 1.069 381 E CA -0.022 56.393 56.400 0.024 0.000 0.871 381 E CB 0.222 29.910 29.700 -0.020 0.000 0.991 381 E HN 0.167 nan 8.360 nan 0.000 0.481 382 K N -0.979 119.436 120.400 0.024 0.000 3.130 382 K HA -0.224 4.096 4.320 0.001 0.000 0.282 382 K C 0.915 177.518 176.600 0.005 0.000 1.145 382 K CA 0.404 56.705 56.287 0.023 0.000 0.831 382 K CB -1.711 30.806 32.500 0.028 0.000 1.226 382 K HN 0.051 nan 8.250 nan 0.000 0.478 383 V N 0.213 120.118 119.914 -0.014 0.000 2.453 383 V HA -0.081 4.040 4.120 0.001 0.000 0.247 383 V C 1.283 177.362 176.094 -0.024 0.000 1.048 383 V CA 1.956 64.241 62.300 -0.026 0.000 1.049 383 V CB -0.627 31.168 31.823 -0.047 0.000 0.672 383 V HN 0.426 nan 8.190 nan 0.000 0.457 384 I N -2.861 117.693 120.570 -0.026 0.000 3.145 384 I HA 0.698 4.869 4.170 0.001 0.000 0.313 384 I C -0.073 176.048 176.117 0.007 0.000 1.122 384 I CA -0.761 60.528 61.300 -0.017 0.000 0.987 384 I CB 2.057 40.034 38.000 -0.038 0.000 1.236 384 I HN -0.031 nan 8.210 nan 0.000 0.453 385 S N 0.951 116.665 115.700 0.024 0.000 2.610 385 S HA 0.294 4.764 4.470 0.001 0.000 0.273 385 S C 0.869 175.526 174.600 0.095 0.000 1.274 385 S CA 0.061 58.294 58.200 0.056 0.000 1.023 385 S CB 1.346 64.577 63.200 0.051 0.000 0.962 385 S HN 0.751 nan 8.310 nan 0.000 0.523 386 T N 2.385 117.031 114.554 0.153 0.000 2.653 386 T HA -0.185 4.166 4.350 0.001 0.000 0.268 386 T C 1.690 176.536 174.700 0.243 0.000 1.035 386 T CA 1.831 64.095 62.100 0.273 0.000 1.154 386 T CB -0.495 68.513 68.868 0.233 0.000 0.862 386 T HN 0.744 nan 8.240 nan 0.000 0.441 387 K N 0.253 120.739 120.400 0.143 0.000 2.103 387 K HA -0.112 4.209 4.320 0.001 0.000 0.207 387 K C 2.088 178.750 176.600 0.103 0.000 1.048 387 K CA 1.146 57.500 56.287 0.111 0.000 0.930 387 K CB -0.142 32.400 32.500 0.070 0.000 0.716 387 K HN 0.251 nan 8.250 nan 0.000 0.444 388 I N 0.308 120.926 120.570 0.080 0.000 2.333 388 I HA -0.083 4.088 4.170 0.001 0.000 0.246 388 I C 2.494 178.629 176.117 0.031 0.000 1.106 388 I CA 1.162 62.488 61.300 0.044 0.000 1.411 388 I CB -1.670 36.342 38.000 0.018 0.000 1.082 388 I HN 0.251 nan 8.210 nan 0.000 0.420 389 G N 1.243 110.061 108.800 0.029 0.000 2.469 389 G HA2 -0.295 3.665 3.960 0.001 0.000 0.219 389 G HA3 -0.295 3.665 3.960 0.001 0.000 0.219 389 G C 1.821 176.748 174.900 0.045 0.000 1.150 389 G CA 0.774 45.825 45.100 -0.082 0.000 0.763 389 G HN 0.327 nan 8.290 nan 0.000 0.561 390 K N 0.047 120.604 120.400 0.262 0.000 2.283 390 K HA 0.019 4.340 4.320 0.001 0.000 0.202 390 K C 2.431 179.121 176.600 0.150 0.000 1.048 390 K CA 0.923 57.389 56.287 0.299 0.000 0.948 390 K CB 0.000 32.659 32.500 0.264 0.000 0.742 390 K HN 0.418 nan 8.250 nan 0.000 0.458 391 E N -0.003 120.253 120.200 0.092 0.000 2.076 391 E HA -0.131 4.220 4.350 0.001 0.000 0.190 391 E C 2.061 178.677 176.600 0.027 0.000 0.979 391 E CA 1.314 57.745 56.400 0.051 0.000 0.807 391 E CB 0.147 29.868 29.700 0.036 0.000 0.761 391 E HN 0.192 nan 8.360 nan 0.000 0.454 392 V N -0.192 119.724 119.914 0.004 0.000 2.358 392 V HA -0.188 3.933 4.120 0.001 0.000 0.246 392 V C 2.259 178.340 176.094 -0.021 0.000 1.047 392 V CA 1.286 63.570 62.300 -0.026 0.000 1.035 392 V CB -0.605 31.181 31.823 -0.062 0.000 0.658 392 V HN 0.178 nan 8.190 nan 0.000 0.452 393 I N -0.243 120.324 120.570 -0.006 0.000 2.226 393 I HA -0.207 3.964 4.170 0.001 0.000 0.245 393 I C 2.830 178.980 176.117 0.055 0.000 1.100 393 I CA 1.710 63.028 61.300 0.030 0.000 1.374 393 I CB -0.206 37.853 38.000 0.099 0.000 1.057 393 I HN 0.274 nan 8.210 nan 0.000 0.413 394 K N 0.169 120.607 120.400 0.063 0.000 2.103 394 K HA -0.258 4.062 4.320 0.001 0.000 0.207 394 K C 1.976 178.594 176.600 0.030 0.000 1.048 394 K CA 1.632 57.950 56.287 0.052 0.000 0.930 394 K CB -0.089 32.441 32.500 0.050 0.000 0.716 394 K HN 0.431 nan 8.250 nan 0.000 0.444 395 E N -0.052 120.158 120.200 0.017 0.000 2.318 395 E HA -0.023 4.328 4.350 0.001 0.000 0.193 395 E C 1.953 178.549 176.600 -0.007 0.000 0.998 395 E CA 0.040 56.442 56.400 0.003 0.000 0.859 395 E CB 0.180 29.877 29.700 -0.005 0.000 0.812 395 E HN 0.247 nan 8.360 nan 0.000 0.492 396 M N 0.034 119.628 119.600 -0.010 0.000 2.082 396 M HA -0.214 4.267 4.480 0.001 0.000 0.258 396 M C 2.261 178.566 176.300 0.009 0.000 1.069 396 M CA 1.360 56.647 55.300 -0.021 0.000 1.102 396 M CB -0.081 32.509 32.600 -0.017 0.000 1.336 396 M HN 0.038 nan 8.290 nan 0.000 0.404 397 V N -0.145 119.786 119.914 0.029 0.000 2.261 397 V HA -0.275 3.846 4.120 0.001 0.000 0.246 397 V C 2.150 178.258 176.094 0.024 0.000 1.047 397 V CA 2.199 64.520 62.300 0.036 0.000 1.015 397 V CB -0.642 31.204 31.823 0.039 0.000 0.642 397 V HN 0.436 nan 8.190 nan 0.000 0.446 398 E N 0.202 120.412 120.200 0.017 0.000 2.147 398 E HA -0.227 4.123 4.350 0.001 0.000 0.199 398 E C 2.171 178.775 176.600 0.007 0.000 1.005 398 E CA 2.348 58.755 56.400 0.012 0.000 0.810 398 E CB -0.168 29.537 29.700 0.009 0.000 0.736 398 E HN 0.845 nan 8.360 nan 0.000 0.460 399 T N -6.388 108.166 114.554 0.001 0.000 3.138 399 T HA 0.374 4.724 4.350 0.001 0.000 0.245 399 T C 1.588 176.285 174.700 -0.005 0.000 0.982 399 T CA 0.619 62.716 62.100 -0.005 0.000 1.134 399 T CB 0.520 69.378 68.868 -0.017 0.000 1.032 399 T HN 0.302 nan 8.240 nan 0.000 0.442 400 G N 1.641 110.432 108.800 -0.014 0.000 2.184 400 G HA2 -0.136 3.825 3.960 0.001 0.000 0.206 400 G HA3 -0.136 3.825 3.960 0.001 0.000 0.206 400 G C -0.139 174.711 174.900 -0.082 0.000 0.995 400 G CA -0.144 44.948 45.100 -0.013 0.000 0.651 400 G HN 0.728 nan 8.290 nan 0.000 0.511 401 K N 1.798 122.136 120.400 -0.104 0.000 2.185 401 K HA 0.480 4.801 4.320 0.001 0.000 0.271 401 K C 0.841 177.280 176.600 -0.269 0.000 1.013 401 K CA 0.080 56.278 56.287 -0.148 0.000 0.943 401 K CB 0.588 33.032 32.500 -0.093 0.000 0.998 401 K HN 0.207 nan 8.250 nan 0.000 0.468 402 T N 3.077 117.432 114.554 -0.332 0.000 2.923 402 T HA -0.063 4.288 4.350 0.001 0.000 0.320 402 T C -1.503 173.059 174.700 -0.231 0.000 1.074 402 T CA -1.155 60.714 62.100 -0.386 0.000 1.131 402 T CB -0.117 68.629 68.868 -0.203 0.000 1.058 402 T HN 0.449 nan 8.240 nan 0.000 0.535 403 P HA -0.202 nan 4.420 nan 0.000 0.216 403 P C 1.806 179.041 177.300 -0.110 0.000 1.157 403 P CA 1.712 64.733 63.100 -0.133 0.000 0.880 403 P CB -0.224 31.402 31.700 -0.123 0.000 0.791 404 S N -1.261 114.379 115.700 -0.100 0.000 2.453 404 S HA -0.138 4.333 4.470 0.001 0.000 0.231 404 S C 2.135 176.693 174.600 -0.069 0.000 1.005 404 S CA 0.568 58.721 58.200 -0.079 0.000 0.949 404 S CB -1.004 62.155 63.200 -0.068 0.000 0.774 404 S HN 0.167 nan 8.310 nan 0.000 0.510 405 Q N 1.148 120.900 119.800 -0.080 0.000 1.993 405 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 405 Q C 2.382 178.347 176.000 -0.058 0.000 0.984 405 Q CA 2.047 57.809 55.803 -0.068 0.000 0.837 405 Q CB -0.473 28.217 28.738 -0.079 0.000 0.902 405 Q HN 0.842 nan 8.270 nan 0.000 0.423 406 I N -2.017 118.514 120.570 -0.065 0.000 2.394 406 I HA -0.148 4.022 4.170 0.001 0.000 0.251 406 I C 2.210 178.300 176.117 -0.045 0.000 1.136 406 I CA 0.518 61.787 61.300 -0.051 0.000 1.425 406 I CB -0.629 37.341 38.000 -0.051 0.000 1.079 406 I HN -0.046 nan 8.210 nan 0.000 0.425 407 V N 1.643 121.525 119.914 -0.053 0.000 2.324 407 V HA -0.327 3.793 4.120 0.001 0.000 0.250 407 V C 2.698 178.770 176.094 -0.037 0.000 1.060 407 V CA 2.594 64.866 62.300 -0.047 0.000 1.042 407 V CB -0.545 31.243 31.823 -0.058 0.000 0.650 407 V HN 0.548 nan 8.190 nan 0.000 0.450 408 E N -0.686 119.491 120.200 -0.037 0.000 2.060 408 E HA -0.168 4.183 4.350 0.001 0.000 0.189 408 E C 2.209 178.794 176.600 -0.025 0.000 0.974 408 E CA 0.770 57.153 56.400 -0.029 0.000 0.808 408 E CB -0.073 29.610 29.700 -0.029 0.000 0.768 408 E HN 0.646 nan 8.360 nan 0.000 0.453 409 E N 0.282 120.466 120.200 -0.027 0.000 2.208 409 E HA -0.229 4.121 4.350 0.001 0.000 0.202 409 E C 1.178 177.766 176.600 -0.019 0.000 1.014 409 E CA 1.178 57.565 56.400 -0.023 0.000 0.819 409 E CB 0.057 29.742 29.700 -0.026 0.000 0.735 409 E HN 0.079 nan 8.360 nan 0.000 0.469 410 K N -0.815 119.573 120.400 -0.020 0.000 2.438 410 K HA 0.199 4.519 4.320 0.001 0.000 0.205 410 K C -0.303 176.288 176.600 -0.014 0.000 1.033 410 K CA 0.298 56.575 56.287 -0.015 0.000 1.089 410 K CB 1.688 34.180 32.500 -0.014 0.000 0.857 410 K HN 0.150 nan 8.250 nan 0.000 0.522 411 G N 2.688 111.478 108.800 -0.016 0.000 3.396 411 G HA2 -0.207 3.754 3.960 0.001 0.000 0.682 411 G HA3 -0.207 3.754 3.960 0.001 0.000 0.682 411 G C -0.180 174.711 174.900 -0.016 0.000 0.924 411 G CA -0.927 44.164 45.100 -0.015 0.000 0.770 411 G HN 0.034 nan 8.290 nan 0.000 0.484 412 L N 0.000 121.212 121.223 -0.018 0.000 2.949 412 L HA 0.000 4.341 4.340 0.001 0.000 0.249 412 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 412 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502