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 3h0m_1_B 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 0.000 176.566 176.600 -0.057 0.000 1.382 3 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 3 E CB 0.000 29.716 29.700 0.027 0.000 0.812 4 K N 1.737 122.061 120.400 -0.126 0.000 2.217 4 K HA 0.038 4.358 4.320 0.001 0.000 0.202 4 K C 0.279 176.633 176.600 -0.410 0.000 1.051 4 K CA 0.891 56.981 56.287 -0.328 0.000 0.952 4 K CB 0.078 32.247 32.500 -0.551 0.000 0.736 4 K HN 0.352 nan 8.250 nan 0.000 0.453 5 Y N 0.616 120.896 120.300 -0.032 0.000 2.612 5 Y HA 0.350 4.901 4.550 0.001 0.000 0.334 5 Y C 0.006 175.880 175.900 -0.042 0.000 1.227 5 Y CA -1.068 57.009 58.100 -0.038 0.000 1.356 5 Y CB 0.971 39.409 38.460 -0.036 0.000 1.534 5 Y HN -0.133 nan 8.280 nan 0.000 0.576 6 E N -0.045 120.260 120.200 0.175 0.000 2.335 6 E HA 0.655 5.006 4.350 0.001 0.000 0.280 6 E C -1.914 174.706 176.600 0.034 0.000 0.918 6 E CA -0.879 55.555 56.400 0.057 0.000 0.765 6 E CB 1.606 31.310 29.700 0.006 0.000 1.218 6 E HN 0.693 nan 8.360 nan 0.000 0.425 7 A N 3.199 126.025 122.820 0.009 0.000 2.274 7 A HA 0.537 4.858 4.320 0.001 0.000 0.309 7 A C -0.699 176.883 177.584 -0.003 0.000 1.226 7 A CA -0.544 51.491 52.037 -0.004 0.000 0.853 7 A CB 0.851 19.844 19.000 -0.011 0.000 1.146 7 A HN 0.292 nan 8.150 nan 0.000 0.518 8 V N 4.397 124.319 119.914 0.013 0.000 2.350 8 V HA 0.414 4.535 4.120 0.001 0.000 0.276 8 V C -0.232 175.890 176.094 0.046 0.000 1.028 8 V CA -0.033 62.296 62.300 0.047 0.000 0.860 8 V CB 0.480 32.375 31.823 0.120 0.000 0.990 8 V HN 0.713 nan 8.190 nan 0.000 0.453 9 I N 3.897 124.475 120.570 0.015 0.000 2.436 9 I HA 0.754 4.925 4.170 0.001 0.000 0.289 9 I C 0.576 176.665 176.117 -0.046 0.000 1.010 9 I CA -0.238 61.052 61.300 -0.016 0.000 1.098 9 I CB 2.155 40.135 38.000 -0.035 0.000 1.266 9 I HN 0.715 nan 8.210 nan 0.000 0.434 10 G N 6.407 115.178 108.800 -0.047 0.000 2.481 10 G HA2 0.851 4.812 3.960 0.001 0.000 0.315 10 G HA3 0.851 4.812 3.960 0.001 0.000 0.315 10 G C -1.246 173.611 174.900 -0.072 0.000 1.231 10 G CA -0.571 44.480 45.100 -0.082 0.000 0.968 10 G HN 0.416 nan 8.290 nan 0.000 0.482 11 L N 0.209 121.375 121.223 -0.096 0.000 2.381 11 L HA 0.567 4.907 4.340 0.001 0.000 0.268 11 L C -0.530 176.327 176.870 -0.022 0.000 0.997 11 L CA -0.820 53.998 54.840 -0.037 0.000 0.818 11 L CB 2.831 44.886 42.059 -0.007 0.000 1.310 11 L HN 0.457 nan 8.230 nan 0.000 0.416 12 E N 2.695 122.900 120.200 0.008 0.000 2.155 12 E HA 0.561 4.912 4.350 0.001 0.000 0.264 12 E C -1.355 175.240 176.600 -0.008 0.000 0.886 12 E CA -0.491 55.896 56.400 -0.023 0.000 0.752 12 E CB 2.255 31.959 29.700 0.006 0.000 1.133 12 E HN 0.309 nan 8.360 nan 0.000 0.414 13 I N 2.571 123.093 120.570 -0.079 0.000 2.433 13 I HA 0.251 4.422 4.170 0.001 0.000 0.292 13 I C -0.680 175.323 176.117 -0.190 0.000 1.001 13 I CA -0.540 60.747 61.300 -0.022 0.000 1.119 13 I CB 1.287 39.313 38.000 0.044 0.000 1.289 13 I HN 0.462 nan 8.210 nan 0.000 0.438 14 H N 4.366 123.461 119.070 0.042 0.000 2.511 14 H HA 0.654 5.211 4.556 0.001 0.000 0.328 14 H C -0.894 174.458 175.328 0.040 0.000 1.044 14 H CA -0.605 55.464 56.048 0.035 0.000 1.212 14 H CB 1.550 31.341 29.762 0.048 0.000 1.428 14 H HN 0.230 nan 8.280 nan 0.000 0.483 15 V N 3.753 123.733 119.914 0.111 0.000 2.448 15 V HA 0.185 4.306 4.120 0.001 0.000 0.295 15 V C -0.074 176.071 176.094 0.084 0.000 1.025 15 V CA -0.835 61.512 62.300 0.078 0.000 0.859 15 V CB 1.733 33.577 31.823 0.035 0.000 0.988 15 V HN 0.749 nan 8.190 nan 0.000 0.431 16 Q N 4.312 124.157 119.800 0.074 0.000 2.288 16 Q HA 0.455 4.795 4.340 0.001 0.000 0.258 16 Q C -0.563 175.479 176.000 0.071 0.000 0.957 16 Q CA -0.280 55.566 55.803 0.070 0.000 0.919 16 Q CB 0.954 29.726 28.738 0.057 0.000 1.185 16 Q HN 0.653 nan 8.270 nan 0.000 0.408 17 M N 2.596 122.246 119.600 0.083 0.000 2.211 17 M HA 0.057 4.538 4.480 0.001 0.000 0.356 17 M C -0.039 176.337 176.300 0.127 0.000 1.216 17 M CA -0.195 55.182 55.300 0.129 0.000 1.134 17 M CB 0.631 33.308 32.600 0.129 0.000 1.564 17 M HN 0.498 nan 8.290 nan 0.000 0.463 18 D N 3.091 123.609 120.400 0.198 0.000 2.801 18 D HA 0.049 4.690 4.640 0.001 0.000 0.232 18 D C -0.153 176.248 176.300 0.169 0.000 1.128 18 D CA -0.079 54.023 54.000 0.170 0.000 1.003 18 D CB 0.111 41.006 40.800 0.160 0.000 1.110 18 D HN 0.572 nan 8.370 nan 0.000 0.477 19 T N -2.046 112.533 114.554 0.042 0.000 2.902 19 T HA 0.251 4.602 4.350 0.001 0.000 0.280 19 T C 1.351 176.040 174.700 -0.017 0.000 0.992 19 T CA -0.784 61.278 62.100 -0.063 0.000 1.015 19 T CB 1.747 70.529 68.868 -0.143 0.000 1.044 19 T HN 0.036 nan 8.240 nan 0.000 0.520 20 K N 0.158 120.539 120.400 -0.032 0.000 2.103 20 K HA 0.059 4.380 4.320 0.001 0.000 0.204 20 K C 0.732 177.323 176.600 -0.015 0.000 1.052 20 K CA 0.814 57.094 56.287 -0.011 0.000 0.945 20 K CB -0.085 32.409 32.500 -0.011 0.000 0.722 20 K HN 0.523 nan 8.250 nan 0.000 0.443 21 T N 1.201 115.733 114.554 -0.037 0.000 2.940 21 T HA 0.247 4.598 4.350 0.001 0.000 0.288 21 T C -0.023 174.648 174.700 -0.049 0.000 1.033 21 T CA -0.739 61.339 62.100 -0.037 0.000 1.033 21 T CB 2.031 70.873 68.868 -0.044 0.000 1.079 21 T HN -0.044 nan 8.240 nan 0.000 0.496 22 K N 0.931 121.305 120.400 -0.042 0.000 2.156 22 K HA 0.173 4.494 4.320 0.001 0.000 0.242 22 K C 1.305 177.824 176.600 -0.135 0.000 1.033 22 K CA -0.490 55.762 56.287 -0.059 0.000 0.878 22 K CB 0.178 32.663 32.500 -0.025 0.000 1.057 22 K HN 0.410 nan 8.250 nan 0.000 0.505 23 M N 0.181 119.642 119.600 -0.231 0.000 2.175 23 M HA -0.032 4.449 4.480 0.001 0.000 0.264 23 M C 0.470 176.333 176.300 -0.728 0.000 1.063 23 M CA 1.880 56.846 55.300 -0.557 0.000 1.119 23 M CB 0.198 32.316 32.600 -0.804 0.000 1.377 23 M HN 0.535 nan 8.290 nan 0.000 0.415 24 F N -0.858 119.052 119.950 -0.066 0.000 2.729 24 F HA 0.317 4.845 4.527 0.001 0.000 0.315 24 F C 0.352 176.119 175.800 -0.056 0.000 1.102 24 F CA -0.876 57.073 58.000 -0.084 0.000 1.204 24 F CB -0.002 38.932 39.000 -0.109 0.000 1.052 24 F HN 0.308 nan 8.300 nan 0.000 0.551 25 C N -2.847 116.500 119.300 0.078 0.000 3.306 25 C HA 0.741 5.202 4.460 0.001 0.000 0.335 25 C C 1.222 176.218 174.990 0.010 0.000 1.382 25 C CA -0.487 58.558 59.018 0.044 0.000 1.254 25 C CB 1.141 28.907 27.740 0.044 0.000 1.555 25 C HN 0.302 nan 8.230 nan 0.000 0.463 26 G N -0.088 108.716 108.800 0.007 0.000 3.124 26 G HA2 0.299 4.260 3.960 0.001 0.000 0.212 26 G HA3 0.299 4.260 3.960 0.001 0.000 0.212 26 G C 0.441 175.339 174.900 -0.003 0.000 1.181 26 G CA 0.227 45.326 45.100 -0.002 0.000 0.803 26 G HN 1.039 nan 8.290 nan 0.000 0.529 27 C N 0.928 120.227 119.300 -0.000 0.000 2.652 27 C HA 0.271 4.732 4.460 0.001 0.000 0.412 27 C C 1.003 175.991 174.990 -0.002 0.000 1.294 27 C CA -0.904 58.114 59.018 -0.000 0.000 2.127 27 C CB 0.494 28.235 27.740 0.002 0.000 2.691 27 C HN 0.367 nan 8.230 nan 0.000 0.615 28 K N 1.325 121.725 120.400 0.001 0.000 2.382 28 K HA 0.269 4.590 4.320 0.001 0.000 0.275 28 K C -0.566 176.041 176.600 0.011 0.000 1.009 28 K CA -0.115 56.175 56.287 0.005 0.000 0.970 28 K CB 0.536 33.041 32.500 0.008 0.000 0.934 28 K HN 0.445 nan 8.250 nan 0.000 0.479 29 V N 4.488 124.412 119.914 0.016 0.000 2.385 29 V HA 0.132 4.252 4.120 0.001 0.000 0.269 29 V C -0.092 176.032 176.094 0.050 0.000 1.043 29 V CA -0.070 62.249 62.300 0.033 0.000 0.906 29 V CB 0.467 32.307 31.823 0.029 0.000 0.995 29 V HN 0.872 nan 8.190 nan 0.000 0.467 30 E N 4.646 124.886 120.200 0.066 0.000 2.390 30 E HA 0.460 4.811 4.350 0.001 0.000 0.280 30 E C -1.496 175.186 176.600 0.137 0.000 0.992 30 E CA -0.917 55.540 56.400 0.094 0.000 0.790 30 E CB 1.820 31.555 29.700 0.059 0.000 1.248 30 E HN 0.288 nan 8.360 nan 0.000 0.447 31 F N 1.527 121.481 119.950 0.007 0.000 2.396 31 F HA 0.484 5.011 4.527 0.001 0.000 0.343 31 F C 1.265 177.068 175.800 0.005 0.000 1.104 31 F CA 1.006 59.010 58.000 0.007 0.000 1.161 31 F CB 1.361 40.365 39.000 0.007 0.000 1.146 31 F HN 0.829 nan 8.300 nan 0.000 0.522 32 G N 4.096 112.390 108.800 -0.843 0.000 2.249 32 G HA2 -0.080 3.880 3.960 0.001 0.000 0.273 32 G HA3 -0.080 3.880 3.960 0.001 0.000 0.273 32 G C 0.109 174.857 174.900 -0.255 0.000 1.036 32 G CA 0.120 44.852 45.100 -0.612 0.000 0.824 32 G HN 1.148 nan 8.290 nan 0.000 0.504 33 A N -0.705 122.011 122.820 -0.173 0.000 2.296 33 A HA 0.655 4.975 4.320 0.001 0.000 0.264 33 A C 0.637 178.163 177.584 -0.097 0.000 1.097 33 A CA -0.055 51.925 52.037 -0.096 0.000 0.811 33 A CB 0.369 19.335 19.000 -0.057 0.000 1.072 33 A HN 0.563 nan 8.150 nan 0.000 0.495 34 E N 1.429 121.590 120.200 -0.065 0.000 2.415 34 E HA 0.138 4.489 4.350 0.001 0.000 0.263 34 E C -2.146 174.423 176.600 -0.052 0.000 0.995 34 E CA -1.309 55.057 56.400 -0.056 0.000 0.915 34 E CB 0.167 29.844 29.700 -0.039 0.000 0.951 34 E HN 0.361 nan 8.360 nan 0.000 0.449 35 P HA -0.168 nan 4.420 nan 0.000 0.261 35 P C -0.582 176.697 177.300 -0.035 0.000 1.173 35 P CA 0.374 63.446 63.100 -0.047 0.000 0.760 35 P CB 0.345 32.019 31.700 -0.043 0.000 0.783 36 N N 0.551 119.233 118.700 -0.030 0.000 2.735 36 N HA -0.139 4.602 4.740 0.001 0.000 0.248 36 N C 0.832 176.330 175.510 -0.020 0.000 1.083 36 N CA 1.528 54.564 53.050 -0.023 0.000 0.703 36 N CB -1.595 36.880 38.487 -0.021 0.000 1.005 36 N HN 0.625 nan 8.380 nan 0.000 0.550 37 T N -5.072 109.469 114.554 -0.022 0.000 3.023 37 T HA 0.088 4.438 4.350 0.001 0.000 0.249 37 T C 0.736 175.428 174.700 -0.013 0.000 1.050 37 T CA 0.128 62.218 62.100 -0.018 0.000 1.088 37 T CB 0.364 69.220 68.868 -0.020 0.000 0.946 37 T HN 0.016 nan 8.240 nan 0.000 0.480 38 N N 1.846 120.539 118.700 -0.012 0.000 3.322 38 N HA 0.530 5.271 4.740 0.001 0.000 0.290 38 N C -1.338 174.170 175.510 -0.004 0.000 1.297 38 N CA 0.055 53.101 53.050 -0.007 0.000 1.167 38 N CB 1.079 39.564 38.487 -0.004 0.000 1.434 38 N HN 0.241 nan 8.380 nan 0.000 0.526 39 V N -0.099 119.812 119.914 -0.005 0.000 3.114 39 V HA 0.509 4.630 4.120 0.001 0.000 0.308 39 V C -0.755 175.337 176.094 -0.004 0.000 1.168 39 V CA -0.589 61.708 62.300 -0.005 0.000 1.015 39 V CB 2.905 34.722 31.823 -0.009 0.000 1.050 39 V HN 0.368 nan 8.190 nan 0.000 0.433 40 C N 3.335 122.633 119.300 -0.004 0.000 3.236 40 C HA 0.537 4.998 4.460 0.001 0.000 0.312 40 C C -1.634 173.352 174.990 -0.006 0.000 1.374 40 C CA -0.928 58.089 59.018 -0.003 0.000 1.455 40 C CB 2.472 30.214 27.740 0.003 0.000 1.834 40 C HN 0.788 nan 8.230 nan 0.000 0.460 41 P HA -0.069 nan 4.420 nan 0.000 0.217 41 P C 1.376 178.668 177.300 -0.013 0.000 1.150 41 P CA 1.307 64.401 63.100 -0.009 0.000 0.832 41 P CB 0.082 31.779 31.700 -0.005 0.000 0.787 42 V N 0.840 120.751 119.914 -0.006 0.000 2.223 42 V HA -0.265 3.855 4.120 0.001 0.000 0.244 42 V C 2.599 178.684 176.094 -0.015 0.000 1.045 42 V CA 2.426 64.722 62.300 -0.007 0.000 1.000 42 V CB -1.753 30.078 31.823 0.015 0.000 0.635 42 V HN 0.274 nan 8.190 nan 0.000 0.445 43 C N -1.016 118.284 119.300 -0.000 0.000 2.539 43 C HA 0.252 4.713 4.460 0.001 0.000 0.271 43 C C 2.127 177.104 174.990 -0.022 0.000 1.412 43 C CA -0.156 58.862 59.018 -0.000 0.000 1.729 43 C CB -1.814 25.936 27.740 0.017 0.000 1.739 43 C HN 0.524 nan 8.230 nan 0.000 0.570 44 L N 1.220 122.427 121.223 -0.027 0.000 2.592 44 L HA 0.296 4.637 4.340 0.001 0.000 0.227 44 L C 1.863 178.702 176.870 -0.051 0.000 1.127 44 L CA 0.855 55.675 54.840 -0.033 0.000 0.884 44 L CB -0.407 41.638 42.059 -0.023 0.000 1.065 44 L HN 0.545 nan 8.230 nan 0.000 0.457 45 G N 1.166 109.924 108.800 -0.069 0.000 2.314 45 G HA2 -0.297 3.664 3.960 0.001 0.000 0.292 45 G HA3 -0.297 3.664 3.960 0.001 0.000 0.292 45 G C 0.085 174.948 174.900 -0.060 0.000 1.059 45 G CA 0.057 45.098 45.100 -0.099 0.000 0.982 45 G HN 0.203 nan 8.290 nan 0.000 0.505 46 M N -0.061 119.515 119.600 -0.040 0.000 2.342 46 M HA 0.338 4.819 4.480 0.001 0.000 0.332 46 M C -1.827 174.464 176.300 -0.014 0.000 1.166 46 M CA -1.852 53.434 55.300 -0.022 0.000 1.086 46 M CB 0.907 33.498 32.600 -0.016 0.000 1.541 46 M HN -0.026 nan 8.290 nan 0.000 0.462 47 P HA 0.128 nan 4.420 nan 0.000 0.268 47 P C 0.450 177.754 177.300 0.006 0.000 1.204 47 P CA 0.606 63.709 63.100 0.005 0.000 0.768 47 P CB 0.447 32.152 31.700 0.008 0.000 0.842 48 G N 1.538 110.344 108.800 0.011 0.000 2.176 48 G HA2 -0.140 3.821 3.960 0.001 0.000 0.253 48 G HA3 -0.140 3.821 3.960 0.001 0.000 0.253 48 G C 0.338 175.242 174.900 0.006 0.000 0.979 48 G CA -0.026 45.080 45.100 0.010 0.000 0.641 48 G HN 0.868 nan 8.290 nan 0.000 0.530 49 A N 0.217 123.038 122.820 0.001 0.000 2.309 49 A HA 0.817 5.138 4.320 0.001 0.000 0.298 49 A C 0.093 177.672 177.584 -0.009 0.000 1.165 49 A CA -0.252 51.782 52.037 -0.005 0.000 0.821 49 A CB 0.638 19.631 19.000 -0.011 0.000 1.102 49 A HN 0.823 nan 8.150 nan 0.000 0.500 50 L N 3.981 125.198 121.223 -0.010 0.000 2.346 50 L HA 0.497 4.838 4.340 0.001 0.000 0.276 50 L C -2.148 174.703 176.870 -0.032 0.000 1.006 50 L CA -2.069 52.758 54.840 -0.022 0.000 0.817 50 L CB 2.297 44.349 42.059 -0.012 0.000 1.272 50 L HN 0.535 nan 8.230 nan 0.000 0.421 51 P HA 0.327 nan 4.420 nan 0.000 0.276 51 P C -1.039 176.254 177.300 -0.011 0.000 1.230 51 P CA -0.144 62.889 63.100 -0.110 0.000 0.776 51 P CB 1.429 32.832 31.700 -0.494 0.000 0.888 52 I N 2.946 123.598 120.570 0.136 0.000 2.439 52 I HA 0.144 4.315 4.170 0.001 0.000 0.285 52 I C 0.128 176.376 176.117 0.218 0.000 1.021 52 I CA -0.954 60.428 61.300 0.135 0.000 1.091 52 I CB 1.990 40.032 38.000 0.070 0.000 1.242 52 I HN 0.051 nan 8.210 nan 0.000 0.439 53 V N 5.555 125.591 119.914 0.203 0.000 2.599 53 V HA -0.006 4.115 4.120 0.001 0.000 0.300 53 V C 0.654 176.763 176.094 0.025 0.000 1.034 53 V CA -0.022 62.349 62.300 0.119 0.000 1.115 53 V CB 0.471 32.403 31.823 0.181 0.000 0.934 53 V HN 0.724 nan 8.190 nan 0.000 0.485 54 N N 4.524 123.174 118.700 -0.083 0.000 2.420 54 N HA 0.069 4.809 4.740 0.001 0.000 0.262 54 N C 0.925 176.436 175.510 0.002 0.000 1.144 54 N CA 0.147 53.158 53.050 -0.065 0.000 0.952 54 N CB 0.831 39.233 38.487 -0.140 0.000 1.081 54 N HN 0.700 nan 8.380 nan 0.000 0.480 55 K N 3.587 124.006 120.400 0.032 0.000 2.026 55 K HA -0.130 4.191 4.320 0.001 0.000 0.208 55 K C 1.750 178.429 176.600 0.131 0.000 1.048 55 K CA 1.044 57.397 56.287 0.110 0.000 0.929 55 K CB 0.094 32.632 32.500 0.064 0.000 0.713 55 K HN 0.513 nan 8.250 nan 0.000 0.439 56 R N 0.003 120.498 120.500 -0.009 0.000 2.092 56 R HA -0.098 4.243 4.340 0.001 0.000 0.231 56 R C 2.145 178.302 176.300 -0.238 0.000 1.119 56 R CA 1.238 57.245 56.100 -0.155 0.000 0.970 56 R CB -0.241 29.867 30.300 -0.319 0.000 0.864 56 R HN 0.264 nan 8.270 nan 0.000 0.440 57 A N 0.239 122.961 122.820 -0.162 0.000 1.908 57 A HA -0.148 4.173 4.320 0.001 0.000 0.218 57 A C 2.237 179.830 177.584 0.016 0.000 1.181 57 A CA 1.771 53.750 52.037 -0.096 0.000 0.627 57 A CB -0.653 18.290 19.000 -0.095 0.000 0.818 57 A HN 0.229 nan 8.150 nan 0.000 0.445 58 V N 0.129 120.087 119.914 0.074 0.000 2.295 58 V HA -0.269 3.852 4.120 0.001 0.000 0.246 58 V C 2.593 178.682 176.094 -0.008 0.000 1.049 58 V CA 2.292 64.660 62.300 0.113 0.000 1.024 58 V CB -0.698 31.280 31.823 0.259 0.000 0.648 58 V HN 0.800 nan 8.190 nan 0.000 0.447 59 E N -0.536 119.684 120.200 0.033 0.000 2.058 59 E HA -0.272 4.079 4.350 0.001 0.000 0.194 59 E C 2.262 178.894 176.600 0.054 0.000 0.997 59 E CA 1.876 58.223 56.400 -0.089 0.000 0.801 59 E CB -0.229 29.594 29.700 0.206 0.000 0.746 59 E HN 0.638 nan 8.360 nan 0.000 0.450 60 Y N 0.122 120.385 120.300 -0.062 0.000 2.224 60 Y HA -0.077 4.474 4.550 0.001 0.000 0.289 60 Y C 2.385 178.239 175.900 -0.077 0.000 1.146 60 Y CA 0.880 58.945 58.100 -0.057 0.000 1.182 60 Y CB -0.968 37.479 38.460 -0.022 0.000 0.983 60 Y HN 0.184 nan 8.280 nan 0.000 0.524 61 A N -0.597 122.276 122.820 0.088 0.000 2.066 61 A HA -0.042 4.279 4.320 0.001 0.000 0.218 61 A C 2.285 179.837 177.584 -0.054 0.000 1.157 61 A CA 0.948 52.998 52.037 0.021 0.000 0.670 61 A CB -0.806 18.219 19.000 0.042 0.000 0.804 61 A HN 0.413 nan 8.150 nan 0.000 0.453 62 I N -1.209 119.290 120.570 -0.119 0.000 2.235 62 I HA -0.170 4.001 4.170 0.001 0.000 0.241 62 I C 2.620 178.634 176.117 -0.171 0.000 1.085 62 I CA 1.317 62.502 61.300 -0.192 0.000 1.378 62 I CB -0.294 37.485 38.000 -0.369 0.000 1.076 62 I HN 0.330 nan 8.210 nan 0.000 0.415 63 R N 1.329 121.733 120.500 -0.159 0.000 2.096 63 R HA -0.249 4.092 4.340 0.001 0.000 0.240 63 R C 2.348 178.570 176.300 -0.130 0.000 1.139 63 R CA 1.967 57.983 56.100 -0.141 0.000 0.952 63 R CB -0.366 29.855 30.300 -0.131 0.000 0.854 63 R HN 0.383 nan 8.270 nan 0.000 0.436 64 A N 0.022 122.777 122.820 -0.109 0.000 1.908 64 A HA -0.187 4.134 4.320 0.001 0.000 0.218 64 A C 2.246 179.759 177.584 -0.119 0.000 1.181 64 A CA 2.106 54.081 52.037 -0.104 0.000 0.627 64 A CB -0.690 18.268 19.000 -0.071 0.000 0.818 64 A HN 0.469 nan 8.150 nan 0.000 0.445 65 S N -0.233 115.397 115.700 -0.116 0.000 2.356 65 S HA -0.105 4.365 4.470 0.001 0.000 0.223 65 S C 1.858 176.356 174.600 -0.171 0.000 1.032 65 S CA 1.525 59.648 58.200 -0.129 0.000 1.005 65 S CB -0.485 62.647 63.200 -0.113 0.000 0.867 65 S HN 0.510 nan 8.310 nan 0.000 0.449 66 L N 1.101 122.222 121.223 -0.170 0.000 2.046 66 L HA -0.130 4.211 4.340 0.001 0.000 0.208 66 L C 2.754 179.499 176.870 -0.210 0.000 1.077 66 L CA 1.252 55.981 54.840 -0.186 0.000 0.747 66 L CB -0.688 41.278 42.059 -0.156 0.000 0.896 66 L HN 0.325 nan 8.230 nan 0.000 0.432 67 A N -0.193 122.519 122.820 -0.180 0.000 2.070 67 A HA -0.088 4.233 4.320 0.001 0.000 0.220 67 A C 1.979 179.424 177.584 -0.231 0.000 1.159 67 A CA 1.132 53.061 52.037 -0.180 0.000 0.656 67 A CB -0.531 18.384 19.000 -0.141 0.000 0.800 67 A HN 0.432 nan 8.150 nan 0.000 0.453 68 L N -0.518 120.560 121.223 -0.241 0.000 2.653 68 L HA 0.093 4.433 4.340 0.001 0.000 0.232 68 L C -0.064 176.525 176.870 -0.470 0.000 1.169 68 L CA -0.253 54.416 54.840 -0.285 0.000 0.951 68 L CB -0.492 41.458 42.059 -0.181 0.000 1.181 68 L HN 0.371 nan 8.230 nan 0.000 0.460 69 N N -1.001 117.369 118.700 -0.549 0.000 2.725 69 N HA -0.175 4.566 4.740 0.001 0.000 0.249 69 N C -0.060 175.084 175.510 -0.609 0.000 1.103 69 N CA 0.618 53.171 53.050 -0.829 0.000 0.707 69 N CB -1.961 35.383 38.487 -1.904 0.000 1.043 69 N HN 0.324 nan 8.380 nan 0.000 0.553 70 C N 0.721 119.821 119.300 -0.333 0.000 2.443 70 C HA 0.318 4.779 4.460 0.001 0.000 0.369 70 C C 1.433 176.320 174.990 -0.172 0.000 1.241 70 C CA -0.721 58.183 59.018 -0.190 0.000 2.413 70 C CB 1.211 28.868 27.740 -0.138 0.000 2.451 70 C HN 0.333 nan 8.230 nan 0.000 0.595 71 E N 1.042 121.153 120.200 -0.148 0.000 2.223 71 E HA 0.350 4.701 4.350 0.001 0.000 0.282 71 E C -0.920 175.443 176.600 -0.396 0.000 1.046 71 E CA -0.020 56.237 56.400 -0.239 0.000 0.857 71 E CB 0.472 30.039 29.700 -0.222 0.000 1.055 71 E HN 0.423 nan 8.360 nan 0.000 0.409 72 V N 6.808 126.527 119.914 -0.325 0.000 2.385 72 V HA 0.161 4.281 4.120 0.001 0.000 0.269 72 V C 0.060 175.974 176.094 -0.300 0.000 1.043 72 V CA -0.666 61.474 62.300 -0.266 0.000 0.906 72 V CB 0.657 32.385 31.823 -0.158 0.000 0.995 72 V HN 0.684 nan 8.190 nan 0.000 0.467 73 H N 4.356 123.405 119.070 -0.035 0.000 2.580 73 H HA 0.150 4.707 4.556 0.001 0.000 0.322 73 H C 1.015 176.334 175.328 -0.016 0.000 1.082 73 H CA -0.206 55.827 56.048 -0.025 0.000 1.383 73 H CB 1.777 31.519 29.762 -0.033 0.000 1.450 73 H HN 0.769 nan 8.280 nan 0.000 0.505 74 E N 3.169 123.432 120.200 0.104 0.000 2.268 74 E HA -0.141 4.209 4.350 0.001 0.000 0.195 74 E C -0.047 176.598 176.600 0.076 0.000 0.995 74 E CA 0.768 57.214 56.400 0.077 0.000 0.836 74 E CB 0.423 30.161 29.700 0.063 0.000 0.763 74 E HN 0.708 nan 8.360 nan 0.000 0.491 75 E N 0.916 121.158 120.200 0.069 0.000 2.216 75 E HA 0.256 4.607 4.350 0.001 0.000 0.260 75 E C -1.378 175.219 176.600 -0.005 0.000 0.880 75 E CA -0.533 55.886 56.400 0.033 0.000 0.765 75 E CB 1.332 31.045 29.700 0.022 0.000 1.174 75 E HN 0.138 nan 8.360 nan 0.000 0.417 76 S N 1.730 117.404 115.700 -0.044 0.000 2.671 76 S HA 0.743 5.213 4.470 0.001 0.000 0.299 76 S C -0.774 173.720 174.600 -0.177 0.000 1.116 76 S CA -0.797 57.329 58.200 -0.124 0.000 0.912 76 S CB 1.950 65.060 63.200 -0.150 0.000 1.130 76 S HN 0.248 nan 8.310 nan 0.000 0.501 77 V N 1.434 121.214 119.914 -0.223 0.000 2.577 77 V HA 0.442 4.563 4.120 0.001 0.000 0.303 77 V C -1.187 174.754 176.094 -0.255 0.000 1.042 77 V CA -0.703 61.487 62.300 -0.183 0.000 0.872 77 V CB 1.222 33.001 31.823 -0.073 0.000 0.998 77 V HN 0.882 nan 8.190 nan 0.000 0.423 78 F N 3.193 123.143 119.950 0.000 0.000 2.495 78 F HA 0.563 5.090 4.527 0.001 0.000 0.365 78 F C 0.855 176.595 175.800 -0.100 0.000 1.090 78 F CA 0.378 58.367 58.000 -0.019 0.000 1.235 78 F CB 0.824 39.828 39.000 0.007 0.000 1.119 78 F HN 0.616 nan 8.300 nan 0.000 0.562 79 A N 4.738 127.602 122.820 0.074 0.000 2.384 79 A HA 0.783 5.104 4.320 0.001 0.000 0.312 79 A C -0.546 176.939 177.584 -0.164 0.000 1.113 79 A CA -1.028 50.969 52.037 -0.066 0.000 0.779 79 A CB 1.240 20.277 19.000 0.062 0.000 1.307 79 A HN 0.775 nan 8.150 nan 0.000 0.436 80 R N 0.978 121.220 120.500 -0.429 0.000 2.229 80 R HA 0.356 4.697 4.340 0.001 0.000 0.328 80 R C -0.542 175.409 176.300 -0.582 0.000 1.009 80 R CA -0.374 55.358 56.100 -0.614 0.000 0.864 80 R CB 1.346 30.982 30.300 -1.107 0.000 1.085 80 R HN 0.633 nan 8.270 nan 0.000 0.453 81 K N 3.363 123.496 120.400 -0.446 0.000 2.293 81 K HA 0.197 4.517 4.320 0.001 0.000 0.267 81 K C -1.137 175.308 176.600 -0.260 0.000 1.010 81 K CA -0.625 55.365 56.287 -0.495 0.000 0.875 81 K CB 0.703 32.975 32.500 -0.379 0.000 1.106 81 K HN 0.616 nan 8.250 nan 0.000 0.450 82 H N 3.441 122.536 119.070 0.043 0.000 2.488 82 H HA 0.307 4.863 4.556 0.001 0.000 0.322 82 H C -1.113 174.364 175.328 0.247 0.000 1.078 82 H CA -0.261 55.841 56.048 0.090 0.000 1.260 82 H CB 0.730 30.500 29.762 0.014 0.000 1.425 82 H HN 0.527 nan 8.280 nan 0.000 0.471 83 Y N 0.348 120.643 120.300 -0.008 0.000 2.641 83 Y HA 0.432 4.983 4.550 0.001 0.000 0.333 83 Y C -2.250 173.573 175.900 -0.128 0.000 1.174 83 Y CA -2.037 56.055 58.100 -0.014 0.000 1.057 83 Y CB 0.439 38.984 38.460 0.142 0.000 1.322 83 Y HN 0.324 nan 8.280 nan 0.000 0.457 84 F N 3.072 123.145 119.950 0.205 0.000 2.385 84 F HA 0.615 5.143 4.527 0.001 0.000 0.360 84 F C -0.855 175.090 175.800 0.242 0.000 1.122 84 F CA -0.477 57.590 58.000 0.112 0.000 1.090 84 F CB 1.043 40.104 39.000 0.102 0.000 1.150 84 F HN 0.552 nan 8.300 nan 0.000 0.472 85 Y N 4.924 125.273 120.300 0.082 0.000 2.424 85 Y HA 0.282 4.833 4.550 0.001 0.000 0.323 85 Y C -2.170 173.749 175.900 0.033 0.000 1.174 85 Y CA -2.324 55.834 58.100 0.097 0.000 1.060 85 Y CB 2.051 40.608 38.460 0.161 0.000 1.314 85 Y HN 0.229 nan 8.280 nan 0.000 0.439 86 P HA -0.200 nan 4.420 nan 0.000 0.217 86 P C 0.723 177.979 177.300 -0.074 0.000 1.151 86 P CA 2.236 65.228 63.100 -0.179 0.000 0.849 86 P CB 0.252 31.785 31.700 -0.279 0.000 0.787 87 D N -1.768 118.635 120.400 0.006 0.000 2.349 87 D HA -0.018 4.623 4.640 0.001 0.000 0.224 87 D C 0.270 176.606 176.300 0.059 0.000 1.029 87 D CA 0.197 54.244 54.000 0.080 0.000 0.879 87 D CB -0.639 40.257 40.800 0.159 0.000 0.906 87 D HN 0.134 nan 8.370 nan 0.000 0.528 88 L N 0.651 121.882 121.223 0.013 0.000 2.384 88 L HA 0.389 4.729 4.340 0.001 0.000 0.261 88 L C -1.956 174.830 176.870 -0.139 0.000 1.024 88 L CA -1.926 52.854 54.840 -0.100 0.000 0.899 88 L CB 1.764 43.663 42.059 -0.268 0.000 1.243 88 L HN -0.309 nan 8.230 nan 0.000 0.449 89 P HA -0.167 nan 4.420 nan 0.000 0.215 89 P C 0.756 177.945 177.300 -0.185 0.000 1.157 89 P CA 1.596 64.623 63.100 -0.122 0.000 0.874 89 P CB 0.241 31.878 31.700 -0.106 0.000 0.790 90 K N -2.265 117.938 120.400 -0.329 0.000 2.296 90 K HA 0.156 4.477 4.320 0.001 0.000 0.200 90 K C 1.457 177.793 176.600 -0.441 0.000 1.048 90 K CA 0.878 56.855 56.287 -0.517 0.000 0.966 90 K CB -0.313 31.534 32.500 -1.087 0.000 0.754 90 K HN 0.221 nan 8.250 nan 0.000 0.466 91 G N 0.895 109.474 108.800 -0.368 0.000 2.194 91 G HA2 -0.267 3.694 3.960 0.001 0.000 0.236 91 G HA3 -0.267 3.694 3.960 0.001 0.000 0.236 91 G C -0.186 174.554 174.900 -0.267 0.000 0.987 91 G CA 0.416 45.300 45.100 -0.361 0.000 0.635 91 G HN 0.426 nan 8.290 nan 0.000 0.520 92 Y N -1.300 118.860 120.300 -0.233 0.000 2.534 92 Y HA 0.810 5.361 4.550 0.002 0.000 0.345 92 Y C -0.498 175.275 175.900 -0.212 0.000 1.031 92 Y CA -1.299 56.649 58.100 -0.253 0.000 1.022 92 Y CB 1.116 39.391 38.460 -0.308 0.000 1.292 92 Y HN 0.206 nan 8.280 nan 0.000 0.459 93 Q N 3.150 122.982 119.800 0.054 0.000 2.257 93 Q HA 0.528 4.869 4.340 0.001 0.000 0.255 93 Q C -1.336 174.744 176.000 0.134 0.000 0.920 93 Q CA -0.787 55.073 55.803 0.095 0.000 0.927 93 Q CB 1.205 30.031 28.738 0.147 0.000 1.229 93 Q HN 0.862 nan 8.270 nan 0.000 0.433 94 I N 3.991 124.659 120.570 0.162 0.000 2.322 94 I HA 0.140 4.311 4.170 0.001 0.000 0.292 94 I C 0.224 176.504 176.117 0.272 0.000 1.060 94 I CA 0.049 61.427 61.300 0.131 0.000 1.309 94 I CB 0.694 38.655 38.000 -0.065 0.000 1.415 94 I HN 0.704 nan 8.210 nan 0.000 0.492 95 S N 5.076 120.918 115.700 0.237 0.000 3.516 95 S HA 0.615 5.085 4.470 0.001 0.000 0.288 95 S C -0.639 174.053 174.600 0.153 0.000 1.051 95 S CA -0.907 57.444 58.200 0.251 0.000 1.109 95 S CB 1.353 64.627 63.200 0.123 0.000 1.338 95 S HN 0.547 nan 8.310 nan 0.000 0.743 96 Q N -1.029 118.643 119.800 -0.213 0.000 2.413 96 Q HA 0.608 4.949 4.340 0.001 0.000 0.276 96 Q C -1.340 174.455 176.000 -0.341 0.000 1.099 96 Q CA -0.695 54.940 55.803 -0.280 0.000 0.814 96 Q CB 2.068 30.633 28.738 -0.288 0.000 1.379 96 Q HN 0.684 nan 8.270 nan 0.000 0.436 97 Y N 0.857 120.945 120.300 -0.354 0.000 2.473 97 Y HA 0.169 4.719 4.550 0.001 0.000 0.094 97 Y C -0.648 175.079 175.900 -0.288 0.000 0.933 97 Y CA -0.241 57.612 58.100 -0.411 0.000 1.798 97 Y CB 0.032 38.143 38.460 -0.582 0.000 1.118 97 Y HN 0.697 nan 8.280 nan 0.000 0.223 98 E N 2.836 122.621 120.200 -0.691 0.000 2.384 98 E HA 0.192 4.543 4.350 0.001 0.000 0.266 98 E C -0.972 175.476 176.600 -0.253 0.000 1.012 98 E CA 0.004 56.126 56.400 -0.463 0.000 0.901 98 E CB 0.343 29.813 29.700 -0.384 0.000 0.967 98 E HN 0.359 nan 8.360 nan 0.000 0.435 99 K N 0.954 121.206 120.400 -0.247 0.000 3.335 99 K HA -0.082 4.239 4.320 0.001 0.000 0.271 99 K C -2.450 174.031 176.600 -0.198 0.000 1.105 99 K CA 0.418 56.571 56.287 -0.222 0.000 0.799 99 K CB -1.361 31.042 32.500 -0.163 0.000 1.309 99 K HN 0.644 nan 8.250 nan 0.000 0.469 100 P HA 0.075 nan 4.420 nan 0.000 0.278 100 P C 0.861 178.145 177.300 -0.027 0.000 1.266 100 P CA -0.699 62.354 63.100 -0.078 0.000 0.807 100 P CB 0.805 32.514 31.700 0.016 0.000 1.094 101 L N 0.627 121.863 121.223 0.022 0.000 2.046 101 L HA 0.045 4.385 4.340 0.001 0.000 0.208 101 L C 0.765 177.738 176.870 0.170 0.000 1.077 101 L CA 2.143 57.018 54.840 0.058 0.000 0.747 101 L CB -0.878 41.191 42.059 0.016 0.000 0.896 101 L HN 0.556 nan 8.230 nan 0.000 0.432 102 A N -2.497 120.415 122.820 0.154 0.000 2.539 102 A HA 0.746 5.067 4.320 0.001 0.000 0.296 102 A C -0.559 177.104 177.584 0.132 0.000 1.073 102 A CA -0.256 51.847 52.037 0.110 0.000 0.700 102 A CB 1.535 20.526 19.000 -0.014 0.000 1.296 102 A HN 0.043 nan 8.150 nan 0.000 0.405 103 T N 0.154 114.774 114.554 0.109 0.000 2.840 103 T HA 0.506 4.857 4.350 0.001 0.000 0.317 103 T C -0.914 173.828 174.700 0.070 0.000 1.401 103 T CA -0.179 62.006 62.100 0.141 0.000 1.028 103 T CB 0.896 69.974 68.868 0.349 0.000 1.317 103 T HN 1.087 nan 8.240 nan 0.000 0.495 104 N N 0.431 119.179 118.700 0.079 0.000 2.681 104 N HA -0.103 4.637 4.740 0.001 0.000 0.259 104 N C -0.148 175.452 175.510 0.149 0.000 1.066 104 N CA 0.821 53.937 53.050 0.109 0.000 0.717 104 N CB -0.593 37.959 38.487 0.109 0.000 0.885 104 N HN 0.822 nan 8.380 nan 0.000 0.547 105 G N -0.453 108.423 108.800 0.127 0.000 3.108 105 G HA2 0.827 4.788 3.960 0.001 0.000 0.268 105 G HA3 0.827 4.788 3.960 0.001 0.000 0.268 105 G C -1.209 173.861 174.900 0.284 0.000 1.361 105 G CA -0.517 44.618 45.100 0.058 0.000 1.047 105 G HN 0.419 nan 8.290 nan 0.000 0.540 106 W N -1.692 119.608 121.300 0.001 0.000 3.363 106 W HA 0.651 5.311 4.660 0.001 0.000 0.306 106 W C -1.871 174.668 176.519 0.032 0.000 1.253 106 W CA -1.309 56.044 57.345 0.014 0.000 1.195 106 W CB 1.071 30.529 29.460 -0.003 0.000 1.366 106 W HN 0.385 nan 8.180 nan 0.000 0.551 107 V N 2.356 122.430 119.914 0.266 0.000 2.495 107 V HA 0.350 4.471 4.120 0.001 0.000 0.298 107 V C -0.313 175.926 176.094 0.242 0.000 1.031 107 V CA -0.870 61.547 62.300 0.194 0.000 0.871 107 V CB 1.532 33.506 31.823 0.251 0.000 0.988 107 V HN 0.668 nan 8.190 nan 0.000 0.432 108 E N 3.506 123.808 120.200 0.170 0.000 2.146 108 E HA 0.411 4.761 4.350 0.001 0.000 0.282 108 E C -1.518 175.105 176.600 0.037 0.000 0.989 108 E CA -0.740 55.730 56.400 0.117 0.000 0.799 108 E CB 1.306 31.070 29.700 0.106 0.000 1.088 108 E HN 0.393 nan 8.360 nan 0.000 0.397 109 L N 4.429 125.676 121.223 0.039 0.000 2.312 109 L HA 0.262 4.602 4.340 0.001 0.000 0.281 109 L C 0.067 176.915 176.870 -0.037 0.000 1.070 109 L CA -0.297 54.544 54.840 0.001 0.000 0.805 109 L CB 1.180 43.259 42.059 0.033 0.000 1.174 109 L HN 0.461 nan 8.230 nan 0.000 0.434 110 N N 4.776 123.431 118.700 -0.074 0.000 2.437 110 N HA 0.394 5.135 4.740 0.001 0.000 0.259 110 N C -0.785 174.690 175.510 -0.059 0.000 0.983 110 N CA -0.436 52.562 53.050 -0.086 0.000 0.937 110 N CB 1.660 40.054 38.487 -0.155 0.000 1.122 110 N HN 0.402 nan 8.380 nan 0.000 0.499 111 L N 2.670 123.870 121.223 -0.038 0.000 2.399 111 L HA 0.362 4.702 4.340 0.001 0.000 0.265 111 L C -1.202 175.658 176.870 -0.018 0.000 1.089 111 L CA -1.667 53.159 54.840 -0.024 0.000 0.802 111 L CB 0.861 42.910 42.059 -0.018 0.000 1.180 111 L HN 0.288 nan 8.230 nan 0.000 0.454 112 P HA -0.011 nan 4.420 nan 0.000 0.245 112 P C 0.152 177.453 177.300 0.002 0.000 1.212 112 P CA 0.460 63.559 63.100 -0.001 0.000 0.774 112 P CB -0.005 31.697 31.700 0.002 0.000 0.999 113 N N -0.894 117.805 118.700 -0.003 0.000 2.214 113 N HA 0.142 4.882 4.740 0.001 0.000 0.214 113 N C 1.164 176.673 175.510 -0.002 0.000 1.132 113 N CA 0.333 53.382 53.050 -0.002 0.000 0.856 113 N CB -0.094 38.391 38.487 -0.004 0.000 1.020 113 N HN 0.161 nan 8.380 nan 0.000 0.509 114 G N 0.234 109.032 108.800 -0.002 0.000 2.284 114 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 114 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 114 G C -0.328 174.567 174.900 -0.008 0.000 1.009 114 G CA -0.105 44.995 45.100 -0.001 0.000 0.625 114 G HN 0.477 nan 8.290 nan 0.000 0.501 115 E N 0.906 121.099 120.200 -0.013 0.000 2.319 115 E HA 0.616 4.967 4.350 0.001 0.000 0.268 115 E C -0.147 176.439 176.600 -0.023 0.000 1.050 115 E CA -0.326 56.064 56.400 -0.017 0.000 0.878 115 E CB 0.931 30.621 29.700 -0.016 0.000 1.066 115 E HN 0.342 nan 8.360 nan 0.000 0.406 116 K N 1.747 122.132 120.400 -0.024 0.000 2.206 116 K HA 0.376 4.697 4.320 0.001 0.000 0.264 116 K C -0.506 176.081 176.600 -0.021 0.000 0.967 116 K CA -0.686 55.585 56.287 -0.026 0.000 0.844 116 K CB 1.711 34.193 32.500 -0.029 0.000 1.099 116 K HN 0.207 nan 8.250 nan 0.000 0.441 117 K N 2.041 122.434 120.400 -0.012 0.000 2.340 117 K HA 0.373 4.693 4.320 0.001 0.000 0.244 117 K C -1.107 175.500 176.600 0.013 0.000 0.973 117 K CA -0.809 55.473 56.287 -0.009 0.000 0.828 117 K CB 1.506 34.001 32.500 -0.008 0.000 1.226 117 K HN 0.371 nan 8.250 nan 0.000 0.437 118 K N 1.544 121.948 120.400 0.005 0.000 2.221 118 K HA 0.401 4.722 4.320 0.001 0.000 0.258 118 K C -1.292 175.331 176.600 0.038 0.000 0.944 118 K CA -0.818 55.494 56.287 0.043 0.000 0.823 118 K CB 2.128 34.626 32.500 -0.005 0.000 1.113 118 K HN 0.208 nan 8.250 nan 0.000 0.431 119 V N 3.752 123.715 119.914 0.082 0.000 2.417 119 V HA 0.362 4.483 4.120 0.001 0.000 0.291 119 V C -0.034 176.104 176.094 0.075 0.000 1.024 119 V CA -0.915 61.384 62.300 -0.002 0.000 0.861 119 V CB 1.400 33.123 31.823 -0.168 0.000 0.985 119 V HN 0.681 nan 8.190 nan 0.000 0.436 120 R N 4.135 124.658 120.500 0.039 0.000 2.438 120 R HA 0.418 4.759 4.340 0.001 0.000 0.287 120 R C -0.639 175.689 176.300 0.047 0.000 1.077 120 R CA -0.545 55.614 56.100 0.098 0.000 1.034 120 R CB 0.732 31.073 30.300 0.069 0.000 0.993 120 R HN 0.488 nan 8.270 nan 0.000 0.459 121 I N 4.280 124.904 120.570 0.090 0.000 2.301 121 I HA 0.076 4.246 4.170 0.001 0.000 0.292 121 I C 1.603 177.738 176.117 0.030 0.000 1.046 121 I CA 0.163 61.489 61.300 0.045 0.000 1.282 121 I CB 0.958 38.979 38.000 0.036 0.000 1.409 121 I HN 0.685 nan 8.210 nan 0.000 0.484 122 R N 6.968 127.469 120.500 0.001 0.000 2.066 122 R HA -0.013 4.327 4.340 0.001 0.000 0.232 122 R C 0.316 176.617 176.300 0.002 0.000 1.131 122 R CA 1.230 57.329 56.100 -0.003 0.000 0.955 122 R CB 0.421 30.706 30.300 -0.026 0.000 0.851 122 R HN 0.751 nan 8.270 nan 0.000 0.432 123 R N -0.729 119.763 120.500 -0.014 0.000 2.680 123 R HA 0.386 4.727 4.340 0.001 0.000 0.269 123 R C -1.779 174.491 176.300 -0.050 0.000 1.026 123 R CA -0.886 55.209 56.100 -0.008 0.000 0.889 123 R CB 1.022 31.331 30.300 0.015 0.000 1.241 123 R HN 0.101 nan 8.270 nan 0.000 0.463 124 L N 3.241 124.444 121.223 -0.033 0.000 2.372 124 L HA 0.504 4.845 4.340 0.001 0.000 0.274 124 L C -0.789 176.079 176.870 -0.004 0.000 0.988 124 L CA -0.537 54.260 54.840 -0.072 0.000 0.833 124 L CB 1.212 43.238 42.059 -0.055 0.000 1.236 124 L HN 0.865 nan 8.230 nan 0.000 0.410 125 H N 3.971 123.037 119.070 -0.006 0.000 2.621 125 H HA 0.527 5.083 4.556 0.001 0.000 0.360 125 H C -0.942 174.418 175.328 0.052 0.000 1.163 125 H CA -1.191 54.863 56.048 0.009 0.000 1.194 125 H CB 1.920 31.685 29.762 0.006 0.000 1.649 125 H HN 0.462 nan 8.280 nan 0.000 0.532 126 I N 2.058 122.801 120.570 0.288 0.000 2.441 126 I HA 0.141 4.312 4.170 0.001 0.000 0.287 126 I C 0.201 176.585 176.117 0.444 0.000 1.049 126 I CA 0.155 61.640 61.300 0.309 0.000 1.381 126 I CB 0.909 39.103 38.000 0.322 0.000 1.409 126 I HN 0.748 nan 8.210 nan 0.000 0.523 127 E N 5.077 125.494 120.200 0.362 0.000 2.447 127 E HA 0.490 4.841 4.350 0.001 0.000 0.279 127 E C -1.637 175.098 176.600 0.226 0.000 1.053 127 E CA -1.107 55.507 56.400 0.356 0.000 0.840 127 E CB 1.610 31.542 29.700 0.387 0.000 1.409 127 E HN 0.632 nan 8.360 nan 0.000 0.461 128 E N 1.007 121.347 120.200 0.234 0.000 2.221 128 E HA 0.377 4.728 4.350 0.001 0.000 0.268 128 E C -1.032 175.651 176.600 0.138 0.000 0.933 128 E CA -0.882 55.611 56.400 0.155 0.000 0.809 128 E CB 1.648 31.487 29.700 0.232 0.000 1.190 128 E HN 0.384 nan 8.360 nan 0.000 0.406 129 D N 0.820 121.276 120.400 0.094 0.000 2.313 129 D HA 0.370 5.010 4.640 0.001 0.000 0.247 129 D C -0.433 175.908 176.300 0.069 0.000 1.094 129 D CA -0.162 53.884 54.000 0.077 0.000 0.925 129 D CB 1.586 42.424 40.800 0.065 0.000 1.188 129 D HN 0.594 nan 8.370 nan 0.000 0.430 130 A N 1.392 124.253 122.820 0.068 0.000 2.249 130 A HA 0.661 4.982 4.320 0.001 0.000 0.281 130 A C 0.713 178.333 177.584 0.060 0.000 1.127 130 A CA 0.146 52.223 52.037 0.066 0.000 0.833 130 A CB 0.111 19.174 19.000 0.105 0.000 1.140 130 A HN 0.515 nan 8.150 nan 0.000 0.502 131 G N -1.100 107.734 108.800 0.057 0.000 2.531 131 G HA2 0.508 4.468 3.960 0.001 0.000 0.281 131 G HA3 0.508 4.468 3.960 0.001 0.000 0.281 131 G C -0.398 174.539 174.900 0.062 0.000 1.382 131 G CA -0.526 44.603 45.100 0.047 0.000 1.045 131 G HN 0.761 nan 8.290 nan 0.000 0.533 132 K N -0.091 120.332 120.400 0.039 0.000 2.270 132 K HA 0.304 4.625 4.320 0.001 0.000 0.255 132 K C -0.908 175.693 176.600 0.001 0.000 0.936 132 K CA -0.707 55.600 56.287 0.034 0.000 0.809 132 K CB 0.859 33.373 32.500 0.024 0.000 1.131 132 K HN 0.383 nan 8.250 nan 0.000 0.427 133 N N 2.807 121.502 118.700 -0.008 0.000 2.498 133 N HA 0.337 5.078 4.740 0.001 0.000 0.287 133 N C -0.881 174.492 175.510 -0.228 0.000 1.097 133 N CA -0.291 52.705 53.050 -0.091 0.000 0.973 133 N CB 0.851 39.303 38.487 -0.058 0.000 1.153 133 N HN 0.397 nan 8.380 nan 0.000 0.472 134 I N 2.071 122.502 120.570 -0.231 0.000 2.433 134 I HA 0.164 4.335 4.170 0.001 0.000 0.292 134 I C -0.247 175.710 176.117 -0.266 0.000 1.001 134 I CA -0.550 60.590 61.300 -0.266 0.000 1.119 134 I CB 0.980 38.912 38.000 -0.114 0.000 1.289 134 I HN 0.336 nan 8.210 nan 0.000 0.438 135 H N 5.218 124.295 119.070 0.013 0.000 2.473 135 H HA 0.519 5.075 4.556 0.001 0.000 0.327 135 H C -0.668 174.661 175.328 0.003 0.000 1.105 135 H CA -0.603 55.449 56.048 0.007 0.000 1.280 135 H CB 1.451 31.221 29.762 0.013 0.000 1.450 135 H HN 0.509 nan 8.280 nan 0.000 0.492 136 E N 1.952 122.223 120.200 0.118 0.000 2.448 136 E HA 0.396 4.746 4.350 0.001 0.000 0.288 136 E C 0.308 176.933 176.600 0.043 0.000 0.936 136 E CA -0.061 56.374 56.400 0.058 0.000 0.809 136 E CB 0.438 30.156 29.700 0.030 0.000 1.408 136 E HN 0.935 nan 8.360 nan 0.000 0.393 137 G N 4.347 113.168 108.800 0.034 0.000 2.527 137 G HA2 -0.341 3.620 3.960 0.001 0.000 0.268 137 G HA3 -0.341 3.620 3.960 0.001 0.000 0.268 137 G C 0.330 175.238 174.900 0.013 0.000 1.175 137 G CA 0.312 45.422 45.100 0.017 0.000 0.962 137 G HN 0.719 nan 8.290 nan 0.000 0.560 138 D N 1.259 121.662 120.400 0.005 0.000 2.336 138 D HA 0.278 4.919 4.640 0.001 0.000 0.228 138 D C 0.745 177.046 176.300 0.002 0.000 1.120 138 D CA 0.609 54.608 54.000 -0.002 0.000 0.839 138 D CB 0.154 40.950 40.800 -0.007 0.000 0.932 138 D HN 0.636 nan 8.370 nan 0.000 0.509 139 K N -0.885 119.525 120.400 0.017 0.000 2.400 139 K HA 0.577 4.897 4.320 0.001 0.000 0.246 139 K C -0.799 175.838 176.600 0.062 0.000 0.995 139 K CA -0.747 55.554 56.287 0.023 0.000 0.840 139 K CB 2.175 34.683 32.500 0.013 0.000 1.293 139 K HN -0.216 nan 8.250 nan 0.000 0.445 140 T N 1.615 116.206 114.554 0.061 0.000 2.807 140 T HA 0.457 4.807 4.350 0.001 0.000 0.279 140 T C -1.089 173.627 174.700 0.027 0.000 0.993 140 T CA -0.681 61.481 62.100 0.104 0.000 0.970 140 T CB 0.721 69.671 68.868 0.138 0.000 0.950 140 T HN 0.125 nan 8.240 nan 0.000 0.441 141 L N 3.331 124.555 121.223 0.002 0.000 2.317 141 L HA 0.604 4.945 4.340 0.001 0.000 0.281 141 L C -0.430 176.419 176.870 -0.036 0.000 1.024 141 L CA -0.520 54.308 54.840 -0.020 0.000 0.810 141 L CB 1.791 43.837 42.059 -0.022 0.000 1.240 141 L HN 0.394 nan 8.230 nan 0.000 0.427 142 V N 2.181 122.076 119.914 -0.031 0.000 2.357 142 V HA 0.362 4.483 4.120 0.001 0.000 0.284 142 V C -0.755 175.322 176.094 -0.028 0.000 1.018 142 V CA -0.672 61.609 62.300 -0.031 0.000 0.841 142 V CB 1.628 33.433 31.823 -0.031 0.000 0.991 142 V HN 0.644 nan 8.190 nan 0.000 0.437 143 D N 4.474 124.858 120.400 -0.027 0.000 2.349 143 D HA 0.363 5.003 4.640 0.001 0.000 0.232 143 D C 0.295 176.586 176.300 -0.014 0.000 1.071 143 D CA -0.281 53.704 54.000 -0.025 0.000 0.832 143 D CB 1.627 42.405 40.800 -0.036 0.000 1.086 143 D HN 0.435 nan 8.370 nan 0.000 0.504 144 L N 3.857 125.072 121.223 -0.013 0.000 2.783 144 L HA 0.170 4.511 4.340 0.001 0.000 0.236 144 L C 1.450 178.318 176.870 -0.003 0.000 1.225 144 L CA -0.284 54.553 54.840 -0.006 0.000 1.026 144 L CB -0.210 41.842 42.059 -0.012 0.000 1.314 144 L HN 0.293 nan 8.230 nan 0.000 0.489 145 N N 1.099 119.795 118.700 -0.007 0.000 2.166 145 N HA -0.186 4.555 4.740 0.001 0.000 0.186 145 N C 1.905 177.423 175.510 0.013 0.000 1.019 145 N CA 1.159 54.207 53.050 -0.004 0.000 0.856 145 N CB 0.013 38.489 38.487 -0.019 0.000 0.993 145 N HN 0.348 nan 8.380 nan 0.000 0.426 146 R N 0.693 121.207 120.500 0.023 0.000 2.210 146 R HA 0.240 4.581 4.340 0.001 0.000 0.203 146 R C 0.218 176.542 176.300 0.039 0.000 1.010 146 R CA 0.134 56.260 56.100 0.043 0.000 1.008 146 R CB -0.023 30.314 30.300 0.060 0.000 0.923 146 R HN 0.040 nan 8.270 nan 0.000 0.469 147 A N 0.621 123.459 122.820 0.030 0.000 2.566 147 A HA 0.328 4.649 4.320 0.001 0.000 0.245 147 A C 1.044 178.648 177.584 0.033 0.000 1.056 147 A CA 0.856 52.910 52.037 0.028 0.000 0.757 147 A CB -0.604 18.402 19.000 0.010 0.000 0.979 147 A HN 0.684 nan 8.150 nan 0.000 0.508 148 G N 2.458 111.289 108.800 0.051 0.000 2.157 148 G HA2 -0.197 3.764 3.960 0.001 0.000 0.248 148 G HA3 -0.197 3.764 3.960 0.001 0.000 0.248 148 G C 0.351 175.261 174.900 0.016 0.000 0.979 148 G CA 0.372 45.510 45.100 0.065 0.000 0.650 148 G HN 1.224 nan 8.290 nan 0.000 0.529 149 T N 2.797 117.365 114.554 0.023 0.000 2.901 149 T HA 0.473 4.823 4.350 0.001 0.000 0.301 149 T C -2.211 172.490 174.700 0.002 0.000 1.012 149 T CA -0.489 61.617 62.100 0.011 0.000 1.135 149 T CB 1.605 70.496 68.868 0.038 0.000 0.936 149 T HN 0.117 nan 8.240 nan 0.000 0.539 150 P HA 0.311 nan 4.420 nan 0.000 0.276 150 P C -0.801 176.526 177.300 0.045 0.000 1.243 150 P CA -0.150 62.934 63.100 -0.026 0.000 0.768 150 P CB 0.372 32.037 31.700 -0.058 0.000 0.856 151 L N 3.358 124.633 121.223 0.086 0.000 2.354 151 L HA 0.551 4.892 4.340 0.001 0.000 0.269 151 L C 0.291 177.234 176.870 0.122 0.000 1.005 151 L CA -0.885 54.031 54.840 0.126 0.000 0.819 151 L CB 1.838 44.013 42.059 0.194 0.000 1.311 151 L HN 0.198 nan 8.230 nan 0.000 0.423 152 M N 2.393 122.042 119.600 0.081 0.000 2.129 152 M HA 0.286 4.767 4.480 0.001 0.000 0.348 152 M C -0.293 175.965 176.300 -0.070 0.000 1.116 152 M CA -0.145 55.168 55.300 0.023 0.000 1.022 152 M CB 1.508 34.110 32.600 0.003 0.000 1.599 152 M HN 0.471 nan 8.290 nan 0.000 0.449 153 E N 4.613 124.689 120.200 -0.207 0.000 2.167 153 E HA 0.438 4.789 4.350 0.001 0.000 0.284 153 E C -1.402 174.933 176.600 -0.443 0.000 1.016 153 E CA -0.341 55.774 56.400 -0.476 0.000 0.817 153 E CB 0.919 30.227 29.700 -0.654 0.000 1.080 153 E HN 0.632 nan 8.360 nan 0.000 0.397 154 I N 4.974 125.353 120.570 -0.319 0.000 2.389 154 I HA 0.278 4.449 4.170 0.001 0.000 0.288 154 I C -0.764 175.270 176.117 -0.139 0.000 0.999 154 I CA -0.999 60.195 61.300 -0.176 0.000 1.129 154 I CB 1.771 39.725 38.000 -0.076 0.000 1.288 154 I HN 0.270 nan 8.210 nan 0.000 0.444 155 V N 4.684 124.532 119.914 -0.110 0.000 2.555 155 V HA 0.403 4.523 4.120 0.001 0.000 0.302 155 V C 0.204 176.263 176.094 -0.058 0.000 1.038 155 V CA -0.482 61.770 62.300 -0.080 0.000 0.887 155 V CB 1.974 33.753 31.823 -0.073 0.000 0.991 155 V HN 0.679 nan 8.190 nan 0.000 0.434 156 T N 3.585 118.090 114.554 -0.082 0.000 2.907 156 T HA 0.317 4.668 4.350 0.001 0.000 0.284 156 T C -0.035 174.600 174.700 -0.108 0.000 1.004 156 T CA -0.438 61.580 62.100 -0.136 0.000 1.063 156 T CB 0.895 69.596 68.868 -0.278 0.000 0.992 156 T HN 0.673 nan 8.240 nan 0.000 0.483 157 E N 3.447 123.592 120.200 -0.091 0.000 2.408 157 E HA 0.138 4.489 4.350 0.001 0.000 0.259 157 E C -1.977 174.579 176.600 -0.073 0.000 1.110 157 E CA -2.102 54.258 56.400 -0.067 0.000 0.929 157 E CB 0.405 30.086 29.700 -0.031 0.000 0.971 157 E HN 0.342 nan 8.360 nan 0.000 0.438 158 P HA 0.085 nan 4.420 nan 0.000 0.232 158 P C -0.410 176.915 177.300 0.042 0.000 1.738 158 P CA 0.181 63.291 63.100 0.017 0.000 0.948 158 P CB -0.065 31.692 31.700 0.094 0.000 1.943 159 D N -0.271 120.108 120.400 -0.035 0.000 2.367 159 D HA 0.114 4.755 4.640 0.001 0.000 0.207 159 D C 0.996 177.258 176.300 -0.063 0.000 1.034 159 D CA 0.244 54.221 54.000 -0.038 0.000 0.861 159 D CB 0.207 40.973 40.800 -0.057 0.000 0.943 159 D HN 0.323 nan 8.370 nan 0.000 0.515 160 I N 0.980 121.493 120.570 -0.095 0.000 2.519 160 I HA 0.124 4.294 4.170 0.001 0.000 0.287 160 I C 1.484 177.573 176.117 -0.046 0.000 1.047 160 I CA -0.143 61.103 61.300 -0.090 0.000 1.381 160 I CB 1.152 39.072 38.000 -0.133 0.000 1.417 160 I HN -0.304 nan 8.210 nan 0.000 0.540 161 R N 2.360 122.839 120.500 -0.036 0.000 2.419 161 R HA 0.298 4.639 4.340 0.001 0.000 0.235 161 R C -0.249 176.041 176.300 -0.017 0.000 0.899 161 R CA 0.211 56.297 56.100 -0.024 0.000 1.048 161 R CB 0.896 31.182 30.300 -0.023 0.000 1.182 161 R HN 0.565 nan 8.270 nan 0.000 0.544 162 T N 0.516 115.059 114.554 -0.018 0.000 2.956 162 T HA 0.277 4.627 4.350 0.001 0.000 0.312 162 T C -2.325 172.368 174.700 -0.011 0.000 1.151 162 T CA -1.330 60.764 62.100 -0.011 0.000 1.024 162 T CB 2.493 71.356 68.868 -0.008 0.000 1.140 162 T HN -0.247 nan 8.240 nan 0.000 0.473 163 P HA -0.128 nan 4.420 nan 0.000 0.215 163 P C 1.320 178.619 177.300 -0.003 0.000 1.157 163 P CA 1.040 64.137 63.100 -0.005 0.000 0.874 163 P CB 0.279 31.981 31.700 0.004 0.000 0.790 164 E N 0.261 120.461 120.200 -0.000 0.000 2.085 164 E HA -0.256 4.094 4.350 0.001 0.000 0.194 164 E C 1.853 178.449 176.600 -0.006 0.000 0.994 164 E CA 1.285 57.684 56.400 -0.002 0.000 0.801 164 E CB -0.354 29.346 29.700 0.001 0.000 0.743 164 E HN 0.263 nan 8.360 nan 0.000 0.453 165 E N 0.059 120.257 120.200 -0.004 0.000 2.110 165 E HA -0.201 4.150 4.350 0.001 0.000 0.193 165 E C 2.037 178.650 176.600 0.021 0.000 0.988 165 E CA 0.874 57.276 56.400 0.003 0.000 0.804 165 E CB -0.148 29.548 29.700 -0.006 0.000 0.745 165 E HN 0.420 nan 8.360 nan 0.000 0.458 166 A N 1.583 124.406 122.820 0.004 0.000 1.865 166 A HA -0.263 4.058 4.320 0.001 0.000 0.217 166 A C 2.107 179.696 177.584 0.009 0.000 1.191 166 A CA 1.813 53.859 52.037 0.016 0.000 0.623 166 A CB -0.564 18.433 19.000 -0.004 0.000 0.826 166 A HN 0.118 nan 8.150 nan 0.000 0.444 167 R N -0.523 119.957 120.500 -0.034 0.000 2.083 167 R HA -0.095 4.246 4.340 0.001 0.000 0.237 167 R C 2.098 178.297 176.300 -0.168 0.000 1.137 167 R CA 1.721 57.759 56.100 -0.103 0.000 0.951 167 R CB -0.448 29.830 30.300 -0.036 0.000 0.851 167 R HN 0.519 nan 8.270 nan 0.000 0.434 168 L N 0.062 121.237 121.223 -0.080 0.000 2.083 168 L HA -0.194 4.147 4.340 0.001 0.000 0.209 168 L C 2.342 179.149 176.870 -0.105 0.000 1.083 168 L CA 1.152 55.940 54.840 -0.087 0.000 0.752 168 L CB -0.456 41.580 42.059 -0.039 0.000 0.899 168 L HN 0.238 nan 8.230 nan 0.000 0.433 169 F N 0.538 120.384 119.950 -0.173 0.000 2.069 169 F HA -0.265 4.263 4.527 0.001 0.000 0.298 169 F C 2.203 177.851 175.800 -0.253 0.000 1.113 169 F CA 1.652 59.549 58.000 -0.171 0.000 1.214 169 F CB -0.313 38.610 39.000 -0.128 0.000 0.978 169 F HN -0.136 nan 8.300 nan 0.000 0.474 170 L N 0.074 121.044 121.223 -0.421 0.000 2.042 170 L HA -0.249 4.091 4.340 0.001 0.000 0.210 170 L C 2.420 178.736 176.870 -0.924 0.000 1.076 170 L CA 1.869 56.253 54.840 -0.761 0.000 0.749 170 L CB -0.703 40.772 42.059 -0.975 0.000 0.893 170 L HN 0.208 nan 8.230 nan 0.000 0.432 171 E N -0.457 119.277 120.200 -0.777 0.000 2.153 171 E HA -0.260 4.091 4.350 0.001 0.000 0.194 171 E C 2.049 178.485 176.600 -0.272 0.000 0.988 171 E CA 1.037 57.188 56.400 -0.414 0.000 0.811 171 E CB 0.120 29.689 29.700 -0.220 0.000 0.746 171 E HN 0.170 nan 8.360 nan 0.000 0.466 172 K N 0.741 120.934 120.400 -0.346 0.000 2.044 172 K HA -0.085 4.236 4.320 0.001 0.000 0.204 172 K C 1.906 178.307 176.600 -0.333 0.000 1.049 172 K CA 0.511 56.620 56.287 -0.296 0.000 0.945 172 K CB -0.382 31.953 32.500 -0.276 0.000 0.724 172 K HN 0.024 nan 8.250 nan 0.000 0.440 173 L N 1.580 122.488 121.223 -0.525 0.000 1.990 173 L HA -0.189 4.152 4.340 0.001 0.000 0.213 173 L C 2.405 179.141 176.870 -0.224 0.000 1.072 173 L CA 2.090 56.663 54.840 -0.445 0.000 0.755 173 L CB -0.665 41.024 42.059 -0.616 0.000 0.889 173 L HN 0.272 nan 8.230 nan 0.000 0.432 174 R N -0.748 119.651 120.500 -0.168 0.000 2.096 174 R HA -0.252 4.088 4.340 0.001 0.000 0.240 174 R C 2.221 178.520 176.300 -0.001 0.000 1.139 174 R CA 2.051 58.143 56.100 -0.012 0.000 0.952 174 R CB -0.466 29.920 30.300 0.144 0.000 0.854 174 R HN 0.472 nan 8.270 nan 0.000 0.436 175 N N 0.346 119.039 118.700 -0.013 0.000 2.188 175 N HA -0.076 4.665 4.740 0.001 0.000 0.184 175 N C 1.739 177.314 175.510 0.108 0.000 1.018 175 N CA 1.292 54.392 53.050 0.084 0.000 0.858 175 N CB -0.075 38.435 38.487 0.039 0.000 0.989 175 N HN 0.270 nan 8.380 nan 0.000 0.426 176 I N 0.164 120.706 120.570 -0.046 0.000 2.127 176 I HA -0.297 3.874 4.170 0.001 0.000 0.241 176 I C 2.149 178.260 176.117 -0.010 0.000 1.075 176 I CA 0.880 62.145 61.300 -0.057 0.000 1.334 176 I CB -0.261 37.657 38.000 -0.136 0.000 1.040 176 I HN 0.140 nan 8.210 nan 0.000 0.405 177 M N 0.295 119.871 119.600 -0.040 0.000 2.073 177 M HA -0.245 4.236 4.480 0.001 0.000 0.258 177 M C 2.446 178.730 176.300 -0.026 0.000 1.070 177 M CA 1.910 57.184 55.300 -0.044 0.000 1.103 177 M CB -1.431 31.145 32.600 -0.040 0.000 1.321 177 M HN 0.218 nan 8.290 nan 0.000 0.405 178 R N -1.295 119.213 120.500 0.014 0.000 2.073 178 R HA -0.181 4.160 4.340 0.001 0.000 0.234 178 R C 2.245 178.534 176.300 -0.017 0.000 1.134 178 R CA 1.626 57.723 56.100 -0.004 0.000 0.952 178 R CB -0.571 29.736 30.300 0.012 0.000 0.850 178 R HN 0.342 nan 8.270 nan 0.000 0.433 179 Y N 0.425 120.690 120.300 -0.060 0.000 2.181 179 Y HA -0.180 4.371 4.550 0.001 0.000 0.288 179 Y C 2.498 178.352 175.900 -0.078 0.000 1.146 179 Y CA 1.430 59.499 58.100 -0.052 0.000 1.164 179 Y CB -0.350 38.084 38.460 -0.044 0.000 0.982 179 Y HN 0.133 nan 8.280 nan 0.000 0.515 180 A N -0.614 122.237 122.820 0.052 0.000 2.015 180 A HA 0.153 4.474 4.320 0.001 0.000 0.219 180 A C 2.004 179.498 177.584 -0.150 0.000 1.163 180 A CA 1.389 53.391 52.037 -0.059 0.000 0.646 180 A CB -1.158 17.783 19.000 -0.098 0.000 0.806 180 A HN 0.721 nan 8.150 nan 0.000 0.448 181 G N -1.727 106.980 108.800 -0.156 0.000 2.142 181 G HA2 -0.160 3.801 3.960 0.001 0.000 0.225 181 G HA3 -0.160 3.801 3.960 0.001 0.000 0.225 181 G C 0.805 175.483 174.900 -0.371 0.000 1.015 181 G CA 0.773 45.750 45.100 -0.205 0.000 0.716 181 G HN 1.577 nan 8.290 nan 0.000 0.508 182 V N -3.624 116.091 119.914 -0.332 0.000 3.263 182 V HA 0.708 4.828 4.120 0.001 0.000 0.248 182 V C 0.888 176.936 176.094 -0.077 0.000 1.145 182 V CA 1.482 63.532 62.300 -0.417 0.000 1.107 182 V CB 0.924 32.568 31.823 -0.299 0.000 0.797 182 V HN 1.522 nan 8.190 nan 0.000 0.467 183 S N -1.012 114.657 115.700 -0.050 0.000 2.547 183 S HA 0.459 4.929 4.470 0.001 0.000 0.270 183 S C 0.105 174.698 174.600 -0.011 0.000 1.150 183 S CA -0.664 57.541 58.200 0.008 0.000 0.850 183 S CB 2.025 65.236 63.200 0.018 0.000 1.118 183 S HN 0.113 nan 8.310 nan 0.000 0.461 184 K N 1.887 122.283 120.400 -0.006 0.000 2.167 184 K HA 0.253 4.574 4.320 0.001 0.000 0.203 184 K C 1.376 177.960 176.600 -0.028 0.000 1.052 184 K CA 1.070 57.343 56.287 -0.024 0.000 0.956 184 K CB -0.855 31.624 32.500 -0.035 0.000 0.735 184 K HN 1.440 nan 8.250 nan 0.000 0.451 185 A N 2.055 124.864 122.820 -0.017 0.000 2.826 185 A HA -0.169 4.151 4.320 0.001 0.000 0.274 185 A C -0.692 176.879 177.584 -0.021 0.000 1.443 185 A CA 1.025 53.063 52.037 0.002 0.000 0.833 185 A CB -1.923 17.093 19.000 0.026 0.000 1.023 185 A HN 0.280 nan 8.150 nan 0.000 0.600 186 D N -0.138 120.213 120.400 -0.082 0.000 2.280 186 D HA 0.447 5.088 4.640 0.001 0.000 0.243 186 D C 1.528 177.724 176.300 -0.174 0.000 1.129 186 D CA -0.373 53.533 54.000 -0.155 0.000 0.848 186 D CB 0.782 41.484 40.800 -0.162 0.000 1.107 186 D HN 0.435 nan 8.370 nan 0.000 0.471 187 M N 0.873 120.324 119.600 -0.248 0.000 2.267 187 M HA -0.163 4.317 4.480 0.001 0.000 0.263 187 M C 1.790 178.003 176.300 -0.144 0.000 1.063 187 M CA 1.184 56.375 55.300 -0.182 0.000 1.090 187 M CB -0.023 32.425 32.600 -0.254 0.000 1.392 187 M HN 0.477 nan 8.290 nan 0.000 0.422 188 E N 1.130 121.222 120.200 -0.179 0.000 2.085 188 E HA -0.219 4.132 4.350 0.001 0.000 0.194 188 E C 1.127 177.619 176.600 -0.180 0.000 0.994 188 E CA 1.393 57.708 56.400 -0.142 0.000 0.801 188 E CB 0.142 29.753 29.700 -0.147 0.000 0.743 188 E HN 0.445 nan 8.360 nan 0.000 0.453 189 K N -1.117 119.114 120.400 -0.282 0.000 2.387 189 K HA 0.152 4.473 4.320 0.001 0.000 0.198 189 K C 0.645 177.037 176.600 -0.347 0.000 1.022 189 K CA 0.490 56.451 56.287 -0.543 0.000 1.128 189 K CB 0.879 32.976 32.500 -0.671 0.000 0.853 189 K HN 0.225 nan 8.250 nan 0.000 0.523 190 G N 1.926 110.640 108.800 -0.142 0.000 2.249 190 G HA2 -0.350 3.611 3.960 0.001 0.000 0.273 190 G HA3 -0.350 3.611 3.960 0.001 0.000 0.273 190 G C 0.449 175.336 174.900 -0.020 0.000 1.036 190 G CA 0.412 45.492 45.100 -0.034 0.000 0.824 190 G HN 0.458 nan 8.290 nan 0.000 0.504 191 Q N -1.442 118.325 119.800 -0.056 0.000 2.482 191 Q HA 0.413 4.754 4.340 0.001 0.000 0.209 191 Q C 0.909 176.923 176.000 0.024 0.000 0.961 191 Q CA 0.592 56.384 55.803 -0.018 0.000 0.945 191 Q CB 0.544 29.253 28.738 -0.050 0.000 1.012 191 Q HN 0.647 nan 8.270 nan 0.000 0.515 192 L N 0.410 121.652 121.223 0.032 0.000 2.516 192 L HA 0.428 4.769 4.340 0.001 0.000 0.267 192 L C -1.366 175.567 176.870 0.105 0.000 0.957 192 L CA -0.481 54.409 54.840 0.083 0.000 0.860 192 L CB 1.601 43.722 42.059 0.104 0.000 1.265 192 L HN -0.112 nan 8.230 nan 0.000 0.403 193 R N 2.828 123.415 120.500 0.146 0.000 2.787 193 R HA 0.751 5.091 4.340 0.001 0.000 0.271 193 R C -1.553 174.862 176.300 0.191 0.000 0.993 193 R CA -0.654 55.542 56.100 0.159 0.000 0.993 193 R CB 2.144 32.534 30.300 0.150 0.000 1.155 193 R HN 0.630 nan 8.270 nan 0.000 0.486 194 C N 1.829 121.235 119.300 0.177 0.000 2.705 194 C HA 0.376 4.837 4.460 0.001 0.000 0.369 194 C C -1.646 173.427 174.990 0.138 0.000 1.069 194 C CA -0.679 58.437 59.018 0.164 0.000 1.260 194 C CB 0.691 28.535 27.740 0.173 0.000 1.764 194 C HN 0.734 nan 8.230 nan 0.000 0.469 195 D N 4.734 125.211 120.400 0.128 0.000 2.198 195 D HA 0.612 5.253 4.640 0.001 0.000 0.247 195 D C -0.337 176.004 176.300 0.069 0.000 1.010 195 D CA -0.009 54.051 54.000 0.099 0.000 0.880 195 D CB 1.815 42.679 40.800 0.106 0.000 1.209 195 D HN 0.570 nan 8.370 nan 0.000 0.451 196 I N 1.520 122.121 120.570 0.052 0.000 2.474 196 I HA 0.267 4.437 4.170 0.001 0.000 0.294 196 I C -0.082 176.047 176.117 0.021 0.000 1.005 196 I CA -0.829 60.488 61.300 0.028 0.000 1.113 196 I CB 1.405 39.414 38.000 0.015 0.000 1.289 196 I HN -0.002 nan 8.210 nan 0.000 0.436 197 N N 5.360 124.065 118.700 0.007 0.000 2.342 197 N HA 0.561 5.302 4.740 0.001 0.000 0.293 197 N C -1.460 174.051 175.510 0.003 0.000 1.026 197 N CA -0.425 52.628 53.050 0.006 0.000 0.857 197 N CB 3.317 41.803 38.487 -0.001 0.000 1.256 197 N HN 0.256 nan 8.380 nan 0.000 0.484 198 V N 1.436 121.355 119.914 0.007 0.000 2.711 198 V HA 0.526 4.647 4.120 0.001 0.000 0.304 198 V C -0.904 175.197 176.094 0.011 0.000 1.097 198 V CA -0.383 61.920 62.300 0.006 0.000 0.906 198 V CB 1.772 33.589 31.823 -0.010 0.000 1.015 198 V HN 0.869 nan 8.190 nan 0.000 0.427 199 S N 6.871 122.589 115.700 0.030 0.000 2.599 199 S HA 0.853 5.324 4.470 0.001 0.000 0.294 199 S C -0.580 174.024 174.600 0.006 0.000 1.094 199 S CA -0.764 57.455 58.200 0.031 0.000 0.931 199 S CB 2.021 65.278 63.200 0.095 0.000 1.093 199 S HN 1.256 nan 8.310 nan 0.000 0.488 200 I N -1.313 119.240 120.570 -0.028 0.000 2.910 200 I HA 0.867 5.037 4.170 0.001 0.000 0.310 200 I C -0.564 175.551 176.117 -0.002 0.000 1.043 200 I CA -1.256 60.017 61.300 -0.045 0.000 1.053 200 I CB 2.020 39.921 38.000 -0.164 0.000 1.242 200 I HN 0.889 nan 8.210 nan 0.000 0.452 201 R N 3.367 123.911 120.500 0.074 0.000 2.522 201 R HA 0.442 4.783 4.340 0.001 0.000 0.273 201 R C -2.991 173.425 176.300 0.193 0.000 1.133 201 R CA -1.432 54.717 56.100 0.081 0.000 0.969 201 R CB 2.234 32.507 30.300 -0.046 0.000 1.235 201 R HN 0.425 nan 8.270 nan 0.000 0.433 202 P HA -0.118 nan 4.420 nan 0.000 0.261 202 P C -0.783 176.485 177.300 -0.053 0.000 1.173 202 P CA 0.279 63.375 63.100 -0.007 0.000 0.760 202 P CB 0.473 32.146 31.700 -0.044 0.000 0.783 203 K N 2.364 122.704 120.400 -0.099 0.000 2.524 203 K HA 0.049 4.370 4.320 0.001 0.000 0.279 203 K C 1.483 178.037 176.600 -0.075 0.000 0.993 203 K CA 1.463 57.705 56.287 -0.075 0.000 1.030 203 K CB -0.419 32.031 32.500 -0.083 0.000 0.891 203 K HN 0.826 nan 8.250 nan 0.000 0.488 204 G N 2.002 110.759 108.800 -0.071 0.000 2.212 204 G HA2 -0.315 3.646 3.960 0.001 0.000 0.266 204 G HA3 -0.315 3.646 3.960 0.001 0.000 0.266 204 G C 0.259 175.112 174.900 -0.079 0.000 0.978 204 G CA 0.742 45.799 45.100 -0.072 0.000 0.632 204 G HN 0.707 nan 8.290 nan 0.000 0.537 205 S N -0.395 115.254 115.700 -0.085 0.000 2.576 205 S HA 0.472 4.943 4.470 0.001 0.000 0.272 205 S C 1.325 175.844 174.600 -0.136 0.000 1.352 205 S CA 1.066 59.211 58.200 -0.092 0.000 1.021 205 S CB 0.928 64.080 63.200 -0.080 0.000 0.887 205 S HN 0.417 nan 8.310 nan 0.000 0.542 206 K N 0.416 120.741 120.400 -0.126 0.000 2.380 206 K HA 0.224 4.544 4.320 0.001 0.000 0.198 206 K C 0.084 176.569 176.600 -0.191 0.000 1.070 206 K CA -0.139 56.054 56.287 -0.156 0.000 1.040 206 K CB 0.335 32.787 32.500 -0.080 0.000 0.903 206 K HN 0.555 nan 8.250 nan 0.000 0.549 207 E N 0.203 120.322 120.200 -0.135 0.000 2.345 207 E HA 0.197 4.548 4.350 0.001 0.000 0.259 207 E C -0.988 175.502 176.600 -0.183 0.000 1.117 207 E CA -0.212 56.151 56.400 -0.061 0.000 0.913 207 E CB 0.448 30.156 29.700 0.012 0.000 1.057 207 E HN -0.126 nan 8.360 nan 0.000 0.432 208 F N 0.622 120.573 119.950 0.002 0.000 2.425 208 F HA 0.538 5.066 4.527 0.001 0.000 0.331 208 F C 1.119 176.921 175.800 0.002 0.000 1.085 208 F CA -0.069 57.931 58.000 0.000 0.000 1.028 208 F CB 1.769 40.767 39.000 -0.004 0.000 1.177 208 F HN 0.484 nan 8.300 nan 0.000 0.487 209 G N 0.590 109.488 108.800 0.164 0.000 2.547 209 G HA2 0.389 4.350 3.960 0.001 0.000 0.291 209 G HA3 0.389 4.350 3.960 0.001 0.000 0.291 209 G C -0.700 174.259 174.900 0.098 0.000 1.211 209 G CA -0.657 44.500 45.100 0.095 0.000 0.950 209 G HN 0.521 nan 8.290 nan 0.000 0.504 210 T N 0.120 114.705 114.554 0.051 0.000 2.934 210 T HA 0.159 4.509 4.350 0.001 0.000 0.306 210 T C 0.633 175.351 174.700 0.030 0.000 1.042 210 T CA 0.349 62.470 62.100 0.036 0.000 1.145 210 T CB 0.504 69.382 68.868 0.017 0.000 0.982 210 T HN 0.514 nan 8.240 nan 0.000 0.544 211 R N 2.420 122.937 120.500 0.028 0.000 2.265 211 R HA 0.517 4.858 4.340 0.001 0.000 0.319 211 R C -1.228 175.081 176.300 0.015 0.000 1.006 211 R CA -0.517 55.596 56.100 0.022 0.000 0.880 211 R CB 0.602 30.911 30.300 0.015 0.000 1.077 211 R HN 0.447 nan 8.270 nan 0.000 0.454 212 V N 3.742 123.663 119.914 0.012 0.000 2.581 212 V HA 0.316 4.437 4.120 0.001 0.000 0.303 212 V C -0.137 175.970 176.094 0.020 0.000 1.041 212 V CA -0.706 61.603 62.300 0.014 0.000 0.907 212 V CB 1.710 33.537 31.823 0.006 0.000 0.994 212 V HN 0.765 nan 8.190 nan 0.000 0.442 213 E N 3.641 123.859 120.200 0.030 0.000 2.166 213 E HA 0.556 4.906 4.350 0.001 0.000 0.275 213 E C -1.362 175.267 176.600 0.048 0.000 0.941 213 E CA -0.503 55.919 56.400 0.037 0.000 0.784 213 E CB 1.923 31.648 29.700 0.041 0.000 1.115 213 E HN 0.541 nan 8.360 nan 0.000 0.399 214 I N 3.711 124.311 120.570 0.051 0.000 2.382 214 I HA 0.314 4.485 4.170 0.001 0.000 0.286 214 I C 0.281 176.444 176.117 0.077 0.000 1.002 214 I CA -0.610 60.731 61.300 0.069 0.000 1.135 214 I CB 1.326 39.362 38.000 0.060 0.000 1.288 214 I HN 0.032 nan 8.210 nan 0.000 0.448 215 K N 4.272 124.726 120.400 0.091 0.000 2.156 215 K HA 0.458 4.779 4.320 0.001 0.000 0.250 215 K C -0.316 176.350 176.600 0.110 0.000 0.955 215 K CA -0.944 55.397 56.287 0.091 0.000 0.855 215 K CB 1.363 33.907 32.500 0.073 0.000 1.101 215 K HN 0.573 nan 8.250 nan 0.000 0.434 216 N N -0.072 118.693 118.700 0.108 0.000 2.671 216 N HA -0.165 4.576 4.740 0.001 0.000 0.261 216 N C -1.121 174.482 175.510 0.155 0.000 1.053 216 N CA -0.019 53.103 53.050 0.120 0.000 0.732 216 N CB -0.945 37.607 38.487 0.108 0.000 0.887 216 N HN 0.164 nan 8.380 nan 0.000 0.546 217 V N -0.389 119.620 119.914 0.158 0.000 2.547 217 V HA 0.384 4.505 4.120 0.001 0.000 0.299 217 V C 0.807 177.034 176.094 0.222 0.000 1.040 217 V CA -0.614 61.806 62.300 0.199 0.000 0.913 217 V CB 2.115 34.003 31.823 0.109 0.000 0.992 217 V HN 0.340 nan 8.190 nan 0.000 0.449 218 N N 0.569 119.462 118.700 0.321 0.000 2.193 218 N HA 0.120 4.861 4.740 0.001 0.000 0.210 218 N C 0.289 175.934 175.510 0.224 0.000 1.215 218 N CA 0.399 53.608 53.050 0.265 0.000 0.901 218 N CB 0.777 39.420 38.487 0.261 0.000 1.060 218 N HN 0.869 nan 8.380 nan 0.000 0.508 219 S N -1.484 114.390 115.700 0.289 0.000 2.632 219 S HA 0.401 4.872 4.470 0.001 0.000 0.289 219 S C 0.189 174.825 174.600 0.060 0.000 1.115 219 S CA -0.665 57.502 58.200 -0.056 0.000 0.889 219 S CB 0.587 63.559 63.200 -0.380 0.000 1.116 219 S HN -0.122 nan 8.310 nan 0.000 0.486 220 F N 1.215 121.117 119.950 -0.080 0.000 2.171 220 F HA 0.085 4.613 4.527 0.001 0.000 0.300 220 F C 2.672 178.418 175.800 -0.091 0.000 1.090 220 F CA 0.795 58.757 58.000 -0.064 0.000 1.293 220 F CB -0.881 38.077 39.000 -0.069 0.000 1.013 220 F HN 0.502 nan 8.300 nan 0.000 0.486 221 R N -0.341 120.152 120.500 -0.012 0.000 2.081 221 R HA -0.137 4.203 4.340 0.001 0.000 0.235 221 R C 2.175 178.459 176.300 -0.028 0.000 1.131 221 R CA 1.120 57.158 56.100 -0.104 0.000 0.960 221 R CB -1.249 28.875 30.300 -0.292 0.000 0.856 221 R HN 0.225 nan 8.270 nan 0.000 0.436 222 F N 0.496 120.479 119.950 0.056 0.000 2.234 222 F HA -0.137 4.391 4.527 0.001 0.000 0.299 222 F C 2.428 178.052 175.800 -0.292 0.000 1.087 222 F CA 0.853 58.835 58.000 -0.031 0.000 1.340 222 F CB -1.237 37.848 39.000 0.141 0.000 1.031 222 F HN -0.130 nan 8.300 nan 0.000 0.500 223 V N -1.078 118.860 119.914 0.041 0.000 2.453 223 V HA -0.259 3.861 4.120 0.001 0.000 0.247 223 V C 2.137 178.190 176.094 -0.068 0.000 1.048 223 V CA 1.913 64.186 62.300 -0.045 0.000 1.049 223 V CB -1.194 30.657 31.823 0.048 0.000 0.672 223 V HN 0.400 nan 8.190 nan 0.000 0.457 224 Q N 0.491 120.283 119.800 -0.013 0.000 2.096 224 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 224 Q C 2.313 178.307 176.000 -0.011 0.000 0.982 224 Q CA 2.375 58.175 55.803 -0.005 0.000 0.850 224 Q CB -0.170 28.579 28.738 0.018 0.000 0.901 224 Q HN 0.625 nan 8.270 nan 0.000 0.422 225 K N 0.036 120.429 120.400 -0.013 0.000 2.025 225 K HA -0.026 4.295 4.320 0.001 0.000 0.207 225 K C 1.840 178.410 176.600 -0.051 0.000 1.049 225 K CA 1.356 57.671 56.287 0.046 0.000 0.933 225 K CB -0.540 32.105 32.500 0.242 0.000 0.714 225 K HN 0.328 nan 8.250 nan 0.000 0.438 226 A N 0.591 123.127 122.820 -0.473 0.000 1.883 226 A HA -0.171 4.149 4.320 0.001 0.000 0.217 226 A C 2.228 179.770 177.584 -0.071 0.000 1.186 226 A CA 1.681 53.452 52.037 -0.444 0.000 0.624 226 A CB -0.809 17.756 19.000 -0.724 0.000 0.822 226 A HN 0.290 nan 8.150 nan 0.000 0.444 227 L N -0.963 120.211 121.223 -0.082 0.000 1.994 227 L HA -0.215 4.125 4.340 0.001 0.000 0.208 227 L C 2.668 179.540 176.870 0.003 0.000 1.071 227 L CA 1.751 56.573 54.840 -0.030 0.000 0.745 227 L CB -0.581 41.459 42.059 -0.031 0.000 0.892 227 L HN 0.486 nan 8.230 nan 0.000 0.431 228 E N -0.818 119.399 120.200 0.028 0.000 2.065 228 E HA -0.340 4.010 4.350 0.001 0.000 0.201 228 E C 2.019 178.670 176.600 0.085 0.000 1.016 228 E CA 2.291 58.726 56.400 0.058 0.000 0.818 228 E CB -0.304 29.447 29.700 0.084 0.000 0.749 228 E HN 0.487 nan 8.360 nan 0.000 0.453 229 Y N 1.098 121.408 120.300 0.017 0.000 2.200 229 Y HA -0.227 4.324 4.550 0.001 0.000 0.290 229 Y C 2.391 178.288 175.900 -0.005 0.000 1.137 229 Y CA 1.758 59.871 58.100 0.021 0.000 1.163 229 Y CB 0.138 38.632 38.460 0.057 0.000 0.988 229 Y HN -0.029 nan 8.280 nan 0.000 0.518 230 E N 0.844 120.971 120.200 -0.122 0.000 2.077 230 E HA -0.190 4.160 4.350 0.001 0.000 0.193 230 E C 1.923 178.395 176.600 -0.213 0.000 0.989 230 E CA 1.967 58.247 56.400 -0.200 0.000 0.800 230 E CB -0.576 29.096 29.700 -0.045 0.000 0.746 230 E HN 0.647 nan 8.360 nan 0.000 0.452 231 I N 0.682 121.169 120.570 -0.139 0.000 2.118 231 I HA -0.305 3.866 4.170 0.001 0.000 0.241 231 I C 2.480 178.499 176.117 -0.164 0.000 1.070 231 I CA 1.721 62.947 61.300 -0.124 0.000 1.327 231 I CB -0.361 37.598 38.000 -0.068 0.000 1.034 231 I HN 0.209 nan 8.210 nan 0.000 0.405 232 E N 0.346 120.439 120.200 -0.179 0.000 2.085 232 E HA -0.279 4.071 4.350 0.001 0.000 0.194 232 E C 2.354 178.795 176.600 -0.265 0.000 0.994 232 E CA 1.064 57.353 56.400 -0.185 0.000 0.801 232 E CB -0.142 29.469 29.700 -0.147 0.000 0.743 232 E HN 0.318 nan 8.360 nan 0.000 0.453 233 R N 0.836 121.073 120.500 -0.438 0.000 2.083 233 R HA -0.214 4.127 4.340 0.001 0.000 0.237 233 R C 2.155 178.313 176.300 -0.236 0.000 1.137 233 R CA 1.796 57.651 56.100 -0.409 0.000 0.951 233 R CB -0.064 29.911 30.300 -0.542 0.000 0.851 233 R HN 0.267 nan 8.270 nan 0.000 0.434 234 Q N -0.097 119.570 119.800 -0.221 0.000 2.123 234 Q HA -0.094 4.247 4.340 0.001 0.000 0.199 234 Q C 2.265 178.122 176.000 -0.238 0.000 0.966 234 Q CA 1.387 57.076 55.803 -0.191 0.000 0.845 234 Q CB -0.008 28.625 28.738 -0.174 0.000 0.907 234 Q HN 0.419 nan 8.270 nan 0.000 0.439 235 I N 1.211 121.622 120.570 -0.265 0.000 2.226 235 I HA -0.294 3.877 4.170 0.001 0.000 0.245 235 I C 1.764 177.774 176.117 -0.178 0.000 1.100 235 I CA 0.773 61.882 61.300 -0.317 0.000 1.374 235 I CB -0.306 37.569 38.000 -0.209 0.000 1.057 235 I HN 0.208 nan 8.210 nan 0.000 0.413 236 N N 0.661 119.285 118.700 -0.125 0.000 2.036 236 N HA -0.165 4.575 4.740 0.001 0.000 0.195 236 N C 1.914 177.385 175.510 -0.065 0.000 1.037 236 N CA 1.348 54.354 53.050 -0.073 0.000 0.855 236 N CB -0.777 37.668 38.487 -0.069 0.000 1.033 236 N HN 0.130 nan 8.380 nan 0.000 0.423 237 V N 0.666 120.528 119.914 -0.087 0.000 2.252 237 V HA -0.206 3.914 4.120 0.001 0.000 0.249 237 V C 2.400 178.459 176.094 -0.058 0.000 1.056 237 V CA 1.441 63.702 62.300 -0.065 0.000 1.022 237 V CB -0.615 31.165 31.823 -0.072 0.000 0.641 237 V HN 0.104 nan 8.190 nan 0.000 0.445 238 V N -0.383 119.472 119.914 -0.098 0.000 2.407 238 V HA -0.210 3.910 4.120 0.001 0.000 0.248 238 V C 2.386 178.482 176.094 0.003 0.000 1.055 238 V CA 1.876 64.133 62.300 -0.071 0.000 1.049 238 V CB -0.614 31.106 31.823 -0.171 0.000 0.662 238 V HN 0.612 nan 8.190 nan 0.000 0.455 239 E N -0.191 120.016 120.200 0.011 0.000 2.285 239 E HA -0.140 4.211 4.350 0.001 0.000 0.194 239 E C 1.885 178.505 176.600 0.035 0.000 0.997 239 E CA 0.508 56.947 56.400 0.065 0.000 0.845 239 E CB -0.010 29.749 29.700 0.099 0.000 0.782 239 E HN 0.688 nan 8.360 nan 0.000 0.491 240 E N -0.186 120.021 120.200 0.013 0.000 2.516 240 E HA -0.017 4.334 4.350 0.001 0.000 0.199 240 E C 0.999 177.606 176.600 0.012 0.000 1.069 240 E CA 0.359 56.766 56.400 0.011 0.000 0.876 240 E CB 0.188 29.890 29.700 0.003 0.000 0.843 240 E HN 0.369 nan 8.360 nan 0.000 0.530 241 G N 0.547 109.356 108.800 0.015 0.000 2.175 241 G HA2 -0.238 3.722 3.960 0.001 0.000 0.244 241 G HA3 -0.238 3.722 3.960 0.001 0.000 0.244 241 G C 0.502 175.407 174.900 0.009 0.000 0.982 241 G CA -0.240 44.869 45.100 0.016 0.000 0.641 241 G HN 0.503 nan 8.290 nan 0.000 0.527 242 G N -0.635 108.166 108.800 0.002 0.000 2.580 242 G HA2 0.572 4.532 3.960 0.001 0.000 0.278 242 G HA3 0.572 4.532 3.960 0.001 0.000 0.278 242 G C -0.298 174.598 174.900 -0.007 0.000 1.212 242 G CA -0.304 44.794 45.100 -0.002 0.000 0.939 242 G HN 0.361 nan 8.290 nan 0.000 0.513 243 E N -1.141 119.056 120.200 -0.006 0.000 2.191 243 E HA 0.325 4.676 4.350 0.001 0.000 0.274 243 E C -0.622 175.969 176.600 -0.014 0.000 0.948 243 E CA -0.742 55.654 56.400 -0.007 0.000 0.802 243 E CB 2.662 32.363 29.700 0.002 0.000 1.137 243 E HN 0.283 nan 8.360 nan 0.000 0.397 244 V N 3.850 123.750 119.914 -0.023 0.000 2.488 244 V HA 0.192 4.313 4.120 0.001 0.000 0.277 244 V C -0.345 175.743 176.094 -0.010 0.000 1.046 244 V CA -0.248 62.036 62.300 -0.027 0.000 0.986 244 V CB 1.245 33.039 31.823 -0.048 0.000 0.989 244 V HN 0.394 nan 8.190 nan 0.000 0.475 245 V N 7.074 126.986 119.914 -0.004 0.000 2.509 245 V HA 0.368 4.488 4.120 0.001 0.000 0.284 245 V C 0.324 176.423 176.094 0.009 0.000 1.047 245 V CA -0.375 61.928 62.300 0.006 0.000 0.952 245 V CB 1.623 33.452 31.823 0.010 0.000 0.988 245 V HN 1.092 nan 8.190 nan 0.000 0.469 246 Q N 6.010 125.818 119.800 0.013 0.000 2.296 246 Q HA 0.373 4.714 4.340 0.001 0.000 0.263 246 Q C -0.326 175.686 176.000 0.020 0.000 1.026 246 Q CA 0.049 55.861 55.803 0.016 0.000 0.912 246 Q CB 0.457 29.204 28.738 0.016 0.000 1.198 246 Q HN 0.927 nan 8.270 nan 0.000 0.407 247 E N 1.674 121.888 120.200 0.023 0.000 2.439 247 E HA 0.426 4.777 4.350 0.001 0.000 0.279 247 E C -1.372 175.249 176.600 0.035 0.000 1.077 247 E CA -0.978 55.439 56.400 0.029 0.000 0.849 247 E CB 0.929 30.649 29.700 0.033 0.000 1.408 247 E HN 0.319 nan 8.360 nan 0.000 0.457 248 T N 0.561 115.140 114.554 0.041 0.000 2.907 248 T HA 0.596 4.947 4.350 0.001 0.000 0.284 248 T C -0.373 174.365 174.700 0.064 0.000 1.004 248 T CA -0.592 61.538 62.100 0.050 0.000 1.063 248 T CB 0.943 69.840 68.868 0.047 0.000 0.992 248 T HN 0.318 nan 8.240 nan 0.000 0.483 249 R N 0.298 120.844 120.500 0.077 0.000 2.905 249 R HA 0.741 5.081 4.340 0.001 0.000 0.260 249 R C -0.615 175.760 176.300 0.124 0.000 1.086 249 R CA -0.954 55.208 56.100 0.103 0.000 0.978 249 R CB 1.868 32.227 30.300 0.099 0.000 1.215 249 R HN 0.744 nan 8.270 nan 0.000 0.480 250 T N -1.415 113.236 114.554 0.161 0.000 2.924 250 T HA 0.575 4.925 4.350 0.001 0.000 0.291 250 T C -1.128 173.719 174.700 0.245 0.000 1.045 250 T CA -0.683 61.529 62.100 0.186 0.000 1.015 250 T CB 1.467 70.432 68.868 0.162 0.000 1.103 250 T HN 0.382 nan 8.240 nan 0.000 0.496 251 F N 1.722 121.707 119.950 0.057 0.000 2.467 251 F HA 0.554 5.082 4.527 0.001 0.000 0.336 251 F C -0.846 174.951 175.800 -0.005 0.000 1.123 251 F CA -1.228 56.780 58.000 0.012 0.000 0.964 251 F CB 1.464 40.465 39.000 0.002 0.000 1.136 251 F HN 0.685 nan 8.300 nan 0.000 0.447 252 D N 8.352 128.398 120.400 -0.589 0.000 2.359 252 D HA 0.389 5.030 4.640 0.001 0.000 0.230 252 D C -2.024 173.624 176.300 -1.087 0.000 1.118 252 D CA -2.347 51.299 54.000 -0.590 0.000 0.844 252 D CB 1.886 42.572 40.800 -0.189 0.000 1.059 252 D HN 0.220 nan 8.370 nan 0.000 0.493 253 P HA -0.207 nan 4.420 nan 0.000 0.215 253 P C 1.285 178.326 177.300 -0.433 0.000 1.157 253 P CA 1.112 63.695 63.100 -0.861 0.000 0.874 253 P CB 0.220 31.412 31.700 -0.847 0.000 0.790 254 Q N -1.353 118.263 119.800 -0.307 0.000 2.096 254 Q HA -0.146 4.195 4.340 0.001 0.000 0.204 254 Q C 2.184 178.097 176.000 -0.145 0.000 0.982 254 Q CA 1.981 57.688 55.803 -0.160 0.000 0.850 254 Q CB -1.521 27.146 28.738 -0.119 0.000 0.901 254 Q HN 0.258 nan 8.270 nan 0.000 0.422 255 T N -1.382 113.053 114.554 -0.199 0.000 3.057 255 T HA 0.182 4.532 4.350 0.001 0.000 0.254 255 T C 1.050 175.619 174.700 -0.218 0.000 1.094 255 T CA 0.989 62.996 62.100 -0.155 0.000 1.088 255 T CB -0.196 68.630 68.868 -0.070 0.000 0.934 255 T HN 0.542 nan 8.240 nan 0.000 0.497 256 G N 1.933 110.541 108.800 -0.321 0.000 2.225 256 G HA2 -0.245 3.716 3.960 0.001 0.000 0.267 256 G HA3 -0.245 3.716 3.960 0.001 0.000 0.267 256 G C -0.051 174.710 174.900 -0.232 0.000 1.024 256 G CA 0.673 45.672 45.100 -0.169 0.000 0.784 256 G HN 0.590 nan 8.290 nan 0.000 0.507 257 K N -0.324 119.778 120.400 -0.497 0.000 2.295 257 K HA 0.696 5.017 4.320 0.001 0.000 0.239 257 K C 0.198 176.503 176.600 -0.492 0.000 0.991 257 K CA -0.203 55.601 56.287 -0.804 0.000 0.845 257 K CB 1.604 33.545 32.500 -0.933 0.000 1.197 257 K HN 0.262 nan 8.250 nan 0.000 0.441 258 T N -1.144 113.230 114.554 -0.300 0.000 2.823 258 T HA 0.517 4.868 4.350 0.001 0.000 0.279 258 T C -0.874 173.611 174.700 -0.359 0.000 0.998 258 T CA -0.648 61.394 62.100 -0.097 0.000 0.994 258 T CB 0.316 69.303 68.868 0.197 0.000 0.960 258 T HN 0.380 nan 8.240 nan 0.000 0.448 259 Y N 2.438 122.812 120.300 0.123 0.000 2.446 259 Y HA 0.523 5.074 4.550 0.001 0.000 0.345 259 Y C -2.165 173.777 175.900 0.070 0.000 0.984 259 Y CA -2.619 55.528 58.100 0.079 0.000 1.058 259 Y CB 2.205 40.685 38.460 0.032 0.000 1.220 259 Y HN 0.520 nan 8.280 nan 0.000 0.455 260 P HA 0.130 nan 4.420 nan 0.000 0.274 260 P C -0.928 176.447 177.300 0.124 0.000 1.260 260 P CA -0.071 63.111 63.100 0.137 0.000 0.793 260 P CB 0.991 32.757 31.700 0.110 0.000 1.048 261 M N 0.042 119.692 119.600 0.084 0.000 2.404 261 M HA 0.393 4.874 4.480 0.001 0.000 0.338 261 M C 1.785 178.112 176.300 0.045 0.000 1.150 261 M CA -0.609 54.729 55.300 0.063 0.000 1.016 261 M CB 2.152 34.786 32.600 0.057 0.000 1.672 261 M HN 0.277 nan 8.290 nan 0.000 0.448 262 R N -0.068 120.450 120.500 0.030 0.000 2.115 262 R HA 0.001 4.341 4.340 0.001 0.000 0.230 262 R C 0.313 176.626 176.300 0.021 0.000 1.111 262 R CA 1.199 57.311 56.100 0.019 0.000 0.976 262 R CB -0.855 29.448 30.300 0.005 0.000 0.870 262 R HN 0.728 nan 8.270 nan 0.000 0.445 263 T N 0.042 114.611 114.554 0.025 0.000 2.729 263 T HA 0.282 4.633 4.350 0.001 0.000 0.296 263 T C -0.182 174.536 174.700 0.028 0.000 0.928 263 T CA -0.931 61.185 62.100 0.027 0.000 1.045 263 T CB 1.509 70.396 68.868 0.032 0.000 0.902 263 T HN 0.189 nan 8.240 nan 0.000 0.500 264 K N 2.988 123.403 120.400 0.024 0.000 3.192 264 K HA 0.120 4.441 4.320 0.001 0.000 0.269 264 K C 0.120 176.733 176.600 0.022 0.000 1.270 264 K CA -0.052 56.249 56.287 0.023 0.000 1.249 264 K CB 0.084 32.596 32.500 0.019 0.000 1.528 264 K HN 0.677 nan 8.250 nan 0.000 0.360 265 E N 2.092 122.307 120.200 0.025 0.000 2.001 265 E HA 0.054 4.405 4.350 0.001 0.000 0.279 265 E C -0.478 176.132 176.600 0.015 0.000 1.045 265 E CA -0.203 56.212 56.400 0.025 0.000 0.833 265 E CB 0.748 30.470 29.700 0.036 0.000 1.077 265 E HN 0.283 nan 8.360 nan 0.000 0.397 266 E N 1.425 121.630 120.200 0.008 0.000 2.398 266 E HA 0.152 4.503 4.350 0.001 0.000 0.263 266 E C 0.001 176.587 176.600 -0.023 0.000 1.046 266 E CA -0.264 56.133 56.400 -0.005 0.000 0.908 266 E CB 0.943 30.639 29.700 -0.006 0.000 0.963 266 E HN 0.493 nan 8.360 nan 0.000 0.431 267 A N 3.306 126.097 122.820 -0.049 0.000 2.366 267 A HA 0.116 4.437 4.320 0.001 0.000 0.250 267 A C -0.047 177.450 177.584 -0.146 0.000 1.099 267 A CA 0.090 52.060 52.037 -0.113 0.000 0.794 267 A CB 0.416 19.328 19.000 -0.147 0.000 1.056 267 A HN 0.647 nan 8.150 nan 0.000 0.499 268 E N 0.015 120.064 120.200 -0.251 0.000 2.266 268 E HA 0.201 4.552 4.350 0.001 0.000 0.268 268 E C -1.349 175.022 176.600 -0.382 0.000 0.879 268 E CA -0.917 55.359 56.400 -0.207 0.000 0.762 268 E CB 1.597 31.248 29.700 -0.082 0.000 1.199 268 E HN 0.713 nan 8.360 nan 0.000 0.422 269 D N 1.516 121.781 120.400 -0.224 0.000 2.752 269 D HA -0.161 4.480 4.640 0.001 0.000 0.225 269 D C -0.081 176.095 176.300 -0.205 0.000 1.104 269 D CA 0.983 54.876 54.000 -0.179 0.000 0.832 269 D CB 0.491 41.265 40.800 -0.044 0.000 1.161 269 D HN 0.491 nan 8.370 nan 0.000 0.505 270 Y N 3.065 123.302 120.300 -0.105 0.000 2.529 270 Y HA 0.065 4.615 4.550 0.001 0.000 0.290 270 Y C 1.161 176.949 175.900 -0.186 0.000 1.177 270 Y CA 0.077 58.006 58.100 -0.285 0.000 1.305 270 Y CB -0.026 37.945 38.460 -0.816 0.000 1.047 270 Y HN 0.409 nan 8.280 nan 0.000 0.522 271 R N -0.869 119.693 120.500 0.102 0.000 3.251 271 R HA -0.255 4.085 4.340 0.001 0.000 0.249 271 R C -1.121 175.397 176.300 0.363 0.000 0.949 271 R CA 0.139 56.364 56.100 0.209 0.000 0.645 271 R CB -2.640 27.744 30.300 0.140 0.000 1.065 271 R HN 0.234 nan 8.270 nan 0.000 0.452 272 Y N 1.010 121.420 120.300 0.184 0.000 2.597 272 Y HA 0.226 4.777 4.550 0.001 0.000 0.336 272 Y C 0.928 177.015 175.900 0.312 0.000 1.216 272 Y CA 0.868 59.013 58.100 0.074 0.000 1.463 272 Y CB 0.358 38.637 38.460 -0.301 0.000 1.303 272 Y HN 0.262 nan 8.280 nan 0.000 0.576 273 F N 1.222 121.269 119.950 0.161 0.000 2.769 273 F HA 0.581 5.109 4.527 0.002 0.000 0.313 273 F C -3.484 172.351 175.800 0.059 0.000 1.146 273 F CA -2.999 55.069 58.000 0.114 0.000 0.934 273 F CB 0.835 39.890 39.000 0.092 0.000 1.283 273 F HN 0.101 nan 8.300 nan 0.000 0.443 274 P HA 0.047 nan 4.420 nan 0.000 0.265 274 P C -0.764 176.253 177.300 -0.472 0.000 1.193 274 P CA 0.259 63.245 63.100 -0.189 0.000 0.765 274 P CB 0.500 32.198 31.700 -0.004 0.000 0.823 275 D N 5.093 125.250 120.400 -0.405 0.000 2.412 275 D HA -0.014 4.627 4.640 0.001 0.000 0.257 275 D C -1.172 175.010 176.300 -0.197 0.000 1.217 275 D CA -1.420 52.328 54.000 -0.420 0.000 0.897 275 D CB 0.624 41.238 40.800 -0.310 0.000 1.132 275 D HN 0.235 nan 8.370 nan 0.000 0.493 276 P HA -0.044 nan 4.420 nan 0.000 0.234 276 P C 0.354 177.644 177.300 -0.017 0.000 1.167 276 P CA 0.448 63.546 63.100 -0.003 0.000 0.763 276 P CB 0.506 32.256 31.700 0.084 0.000 0.835 277 D N -0.394 119.970 120.400 -0.061 0.000 2.347 277 D HA 0.097 4.738 4.640 0.001 0.000 0.213 277 D C 0.689 176.957 176.300 -0.053 0.000 0.985 277 D CA 0.620 54.588 54.000 -0.054 0.000 0.879 277 D CB 0.365 41.119 40.800 -0.078 0.000 0.919 277 D HN 0.275 nan 8.370 nan 0.000 0.526 278 L N 0.678 121.874 121.223 -0.046 0.000 2.386 278 L HA 0.287 4.628 4.340 0.001 0.000 0.271 278 L C 0.073 176.978 176.870 0.058 0.000 0.993 278 L CA -1.188 53.657 54.840 0.007 0.000 0.819 278 L CB 2.524 44.585 42.059 0.004 0.000 1.294 278 L HN -0.247 nan 8.230 nan 0.000 0.414 279 V N 0.353 120.313 119.914 0.077 0.000 3.051 279 V HA 0.432 4.553 4.120 0.001 0.000 0.306 279 V C -2.146 174.020 176.094 0.119 0.000 1.083 279 V CA -1.465 60.884 62.300 0.082 0.000 1.104 279 V CB -0.370 31.494 31.823 0.069 0.000 1.027 279 V HN 0.580 nan 8.190 nan 0.000 0.483 280 P HA 0.199 nan 4.420 nan 0.000 0.267 280 P C -0.631 176.725 177.300 0.092 0.000 1.200 280 P CA -0.288 62.853 63.100 0.069 0.000 0.772 280 P CB 0.228 31.949 31.700 0.035 0.000 0.855 281 L N 3.595 124.855 121.223 0.061 0.000 2.385 281 L HA 0.189 4.529 4.340 0.001 0.000 0.281 281 L C 0.011 176.928 176.870 0.078 0.000 1.106 281 L CA 0.433 55.330 54.840 0.095 0.000 0.856 281 L CB -0.555 41.519 42.059 0.024 0.000 1.186 281 L HN 0.194 nan 8.230 nan 0.000 0.453 282 K N 4.257 124.722 120.400 0.109 0.000 2.293 282 K HA 0.507 4.828 4.320 0.001 0.000 0.267 282 K C -1.244 175.446 176.600 0.150 0.000 1.010 282 K CA -0.614 55.733 56.287 0.101 0.000 0.875 282 K CB 1.569 34.116 32.500 0.078 0.000 1.106 282 K HN 0.396 nan 8.250 nan 0.000 0.450 283 V N 5.152 125.159 119.914 0.156 0.000 2.311 283 V HA 0.173 4.294 4.120 0.001 0.000 0.275 283 V C 0.137 176.347 176.094 0.193 0.000 1.022 283 V CA -1.053 61.387 62.300 0.233 0.000 0.830 283 V CB 0.841 32.760 31.823 0.160 0.000 1.012 283 V HN 0.588 nan 8.190 nan 0.000 0.452 284 K N 3.177 123.712 120.400 0.224 0.000 2.485 284 K HA 0.030 4.351 4.320 0.001 0.000 0.277 284 K C 1.279 177.980 176.600 0.168 0.000 0.990 284 K CA 0.190 56.575 56.287 0.164 0.000 0.994 284 K CB 0.744 33.329 32.500 0.142 0.000 0.906 284 K HN 0.559 nan 8.250 nan 0.000 0.488 285 K N 2.278 122.741 120.400 0.105 0.000 2.147 285 K HA -0.191 4.130 4.320 0.001 0.000 0.205 285 K C 0.902 177.562 176.600 0.100 0.000 1.049 285 K CA 1.592 57.927 56.287 0.080 0.000 0.936 285 K CB 0.252 32.782 32.500 0.050 0.000 0.722 285 K HN 0.388 nan 8.250 nan 0.000 0.446 286 E N -0.603 119.667 120.200 0.116 0.000 2.204 286 E HA -0.191 4.160 4.350 0.001 0.000 0.195 286 E C 1.243 177.967 176.600 0.206 0.000 0.990 286 E CA 0.880 57.352 56.400 0.122 0.000 0.821 286 E CB -0.192 29.562 29.700 0.090 0.000 0.750 286 E HN 0.430 nan 8.360 nan 0.000 0.477 287 W N 0.581 121.888 121.300 0.011 0.000 2.481 287 W HA 0.131 4.792 4.660 0.001 0.000 0.293 287 W C 1.615 178.140 176.519 0.011 0.000 1.201 287 W CA 0.437 57.790 57.345 0.014 0.000 1.328 287 W CB -0.417 29.055 29.460 0.019 0.000 1.112 287 W HN -0.012 nan 8.180 nan 0.000 0.546 288 I N 0.648 121.255 120.570 0.062 0.000 2.163 288 I HA -0.347 3.823 4.170 0.001 0.000 0.243 288 I C 2.234 178.332 176.117 -0.032 0.000 1.085 288 I CA 1.955 63.210 61.300 -0.075 0.000 1.347 288 I CB -0.673 37.295 38.000 -0.053 0.000 1.044 288 I HN -0.047 nan 8.210 nan 0.000 0.408 289 E N 0.362 120.577 120.200 0.026 0.000 2.097 289 E HA -0.309 4.042 4.350 0.001 0.000 0.196 289 E C 2.115 178.736 176.600 0.035 0.000 1.000 289 E CA 1.641 58.057 56.400 0.027 0.000 0.804 289 E CB -0.113 29.613 29.700 0.044 0.000 0.740 289 E HN 0.489 nan 8.360 nan 0.000 0.454 290 E N 0.420 120.667 120.200 0.078 0.000 2.107 290 E HA -0.155 4.196 4.350 0.001 0.000 0.191 290 E C 1.987 178.619 176.600 0.054 0.000 0.982 290 E CA 0.648 57.106 56.400 0.097 0.000 0.809 290 E CB 0.058 29.875 29.700 0.196 0.000 0.756 290 E HN 0.224 nan 8.360 nan 0.000 0.459 291 I N 0.867 121.433 120.570 -0.007 0.000 2.353 291 I HA -0.203 3.968 4.170 0.001 0.000 0.248 291 I C 2.579 178.662 176.117 -0.056 0.000 1.119 291 I CA 0.831 62.093 61.300 -0.064 0.000 1.417 291 I CB -0.116 37.764 38.000 -0.200 0.000 1.078 291 I HN 0.053 nan 8.210 nan 0.000 0.421 292 K N 1.431 121.798 120.400 -0.054 0.000 2.032 292 K HA -0.272 4.049 4.320 0.001 0.000 0.209 292 K C 2.255 178.842 176.600 -0.022 0.000 1.048 292 K CA 1.719 57.978 56.287 -0.046 0.000 0.927 292 K CB -0.085 32.390 32.500 -0.041 0.000 0.712 292 K HN 0.109 nan 8.250 nan 0.000 0.441 293 K N 0.100 120.498 120.400 -0.004 0.000 2.097 293 K HA -0.122 4.199 4.320 0.001 0.000 0.206 293 K C 0.718 177.324 176.600 0.009 0.000 1.049 293 K CA 1.544 57.835 56.287 0.007 0.000 0.933 293 K CB 0.059 32.571 32.500 0.020 0.000 0.717 293 K HN 0.156 nan 8.250 nan 0.000 0.442 294 N N 0.815 119.521 118.700 0.010 0.000 2.251 294 N HA 0.013 4.754 4.740 0.001 0.000 0.217 294 N C -0.263 175.248 175.510 0.001 0.000 1.124 294 N CA -0.132 52.926 53.050 0.014 0.000 0.843 294 N CB 0.266 38.772 38.487 0.031 0.000 1.024 294 N HN 0.186 nan 8.380 nan 0.000 0.501 295 M N 2.200 121.792 119.600 -0.013 0.000 2.260 295 M HA 0.108 4.588 4.480 0.001 0.000 0.348 295 M C -2.212 174.083 176.300 -0.008 0.000 1.342 295 M CA -0.903 54.382 55.300 -0.025 0.000 1.040 295 M CB 0.257 32.834 32.600 -0.037 0.000 1.810 295 M HN -0.080 nan 8.290 nan 0.000 0.453 296 P HA 0.059 nan 4.420 nan 0.000 0.271 296 P C -1.150 176.177 177.300 0.044 0.000 1.244 296 P CA -0.358 62.753 63.100 0.018 0.000 0.793 296 P CB 0.341 32.047 31.700 0.009 0.000 0.984 297 E N 0.734 120.984 120.200 0.083 0.000 2.360 297 E HA 0.160 4.511 4.350 0.001 0.000 0.269 297 E C -0.626 176.067 176.600 0.154 0.000 1.022 297 E CA -0.200 56.261 56.400 0.102 0.000 0.887 297 E CB 0.253 30.026 29.700 0.121 0.000 0.990 297 E HN 0.286 nan 8.360 nan 0.000 0.426 298 L N 4.970 126.206 121.223 0.022 0.000 2.331 298 L HA 0.300 4.640 4.340 0.001 0.000 0.268 298 L C -1.714 174.951 176.870 -0.343 0.000 1.015 298 L CA -2.167 52.599 54.840 -0.123 0.000 0.807 298 L CB 1.087 43.079 42.059 -0.113 0.000 1.293 298 L HN 0.463 nan 8.230 nan 0.000 0.451 299 P HA -0.124 nan 4.420 nan 0.000 0.215 299 P C 0.472 177.623 177.300 -0.249 0.000 1.157 299 P CA 1.159 63.854 63.100 -0.675 0.000 0.868 299 P CB 0.230 31.547 31.700 -0.639 0.000 0.788 300 D N -0.948 119.343 120.400 -0.182 0.000 2.144 300 D HA -0.147 4.494 4.640 0.001 0.000 0.200 300 D C 2.113 178.426 176.300 0.020 0.000 0.978 300 D CA 1.052 55.003 54.000 -0.081 0.000 0.833 300 D CB -0.621 40.128 40.800 -0.084 0.000 0.961 300 D HN 0.326 nan 8.370 nan 0.000 0.470 301 Q N 0.106 119.901 119.800 -0.008 0.000 2.050 301 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 301 Q C 2.263 178.303 176.000 0.066 0.000 0.980 301 Q CA 0.836 56.657 55.803 0.030 0.000 0.840 301 Q CB -0.070 28.676 28.738 0.012 0.000 0.898 301 Q HN 0.183 nan 8.270 nan 0.000 0.424 302 R N 0.202 120.736 120.500 0.056 0.000 2.081 302 R HA -0.167 4.173 4.340 0.001 0.000 0.235 302 R C 2.133 178.508 176.300 0.126 0.000 1.131 302 R CA 1.238 57.400 56.100 0.103 0.000 0.960 302 R CB -0.303 30.075 30.300 0.129 0.000 0.856 302 R HN 0.219 nan 8.270 nan 0.000 0.436 303 F N 2.179 122.112 119.950 -0.029 0.000 2.065 303 F HA -0.271 4.257 4.527 0.001 0.000 0.298 303 F C 2.227 178.027 175.800 -0.001 0.000 1.112 303 F CA 1.901 59.886 58.000 -0.025 0.000 1.212 303 F CB -0.037 38.934 39.000 -0.049 0.000 0.975 303 F HN 0.054 nan 8.300 nan 0.000 0.476 304 E N -0.093 120.207 120.200 0.167 0.000 2.150 304 E HA -0.199 4.151 4.350 0.001 0.000 0.193 304 E C 2.309 178.916 176.600 0.012 0.000 0.985 304 E CA 0.856 57.295 56.400 0.066 0.000 0.814 304 E CB -0.580 29.182 29.700 0.103 0.000 0.752 304 E HN 0.481 nan 8.360 nan 0.000 0.466 305 R N 0.753 121.278 120.500 0.042 0.000 2.075 305 R HA -0.030 4.311 4.340 0.001 0.000 0.232 305 R C 2.470 178.817 176.300 0.078 0.000 1.126 305 R CA 0.704 56.836 56.100 0.053 0.000 0.963 305 R CB -0.095 30.255 30.300 0.082 0.000 0.858 305 R HN 0.132 nan 8.270 nan 0.000 0.435 306 L N 0.343 121.614 121.223 0.080 0.000 2.056 306 L HA -0.150 4.191 4.340 0.001 0.000 0.207 306 L C 2.462 179.374 176.870 0.070 0.000 1.078 306 L CA 1.099 56.040 54.840 0.168 0.000 0.749 306 L CB -0.439 41.611 42.059 -0.014 0.000 0.901 306 L HN 0.237 nan 8.230 nan 0.000 0.433 307 I N 0.112 120.619 120.570 -0.104 0.000 2.151 307 I HA -0.358 3.812 4.170 0.001 0.000 0.243 307 I C 2.628 178.724 176.117 -0.034 0.000 1.080 307 I CA 1.603 62.835 61.300 -0.113 0.000 1.339 307 I CB -0.241 37.646 38.000 -0.190 0.000 1.039 307 I HN 0.236 nan 8.210 nan 0.000 0.409 308 K N 0.592 120.978 120.400 -0.023 0.000 1.980 308 K HA -0.155 4.166 4.320 0.001 0.000 0.208 308 K C 2.123 178.694 176.600 -0.048 0.000 1.043 308 K CA 1.251 57.523 56.287 -0.025 0.000 0.938 308 K CB -0.117 32.369 32.500 -0.023 0.000 0.724 308 K HN 0.141 nan 8.250 nan 0.000 0.438 309 E N -1.131 119.020 120.200 -0.082 0.000 2.268 309 E HA -0.157 4.193 4.350 0.001 0.000 0.195 309 E C 0.463 176.793 176.600 -0.451 0.000 0.995 309 E CA 1.098 57.322 56.400 -0.292 0.000 0.836 309 E CB 0.285 29.744 29.700 -0.403 0.000 0.763 309 E HN 0.367 nan 8.360 nan 0.000 0.491 310 Y N -2.173 118.148 120.300 0.035 0.000 2.610 310 Y HA 0.278 4.829 4.550 0.001 0.000 0.254 310 Y C 1.114 177.036 175.900 0.036 0.000 1.110 310 Y CA 0.152 58.297 58.100 0.075 0.000 1.238 310 Y CB 1.432 40.005 38.460 0.187 0.000 1.322 310 Y HN 0.049 nan 8.280 nan 0.000 0.547 311 G N 1.519 110.384 108.800 0.109 0.000 2.203 311 G HA2 -0.306 3.655 3.960 0.001 0.000 0.263 311 G HA3 -0.306 3.655 3.960 0.001 0.000 0.263 311 G C 0.178 175.098 174.900 0.034 0.000 1.012 311 G CA 0.328 45.459 45.100 0.051 0.000 0.749 311 G HN 0.280 nan 8.290 nan 0.000 0.512 312 L N 0.778 122.010 121.223 0.016 0.000 2.473 312 L HA 0.410 4.751 4.340 0.001 0.000 0.268 312 L C 1.548 178.371 176.870 -0.078 0.000 1.215 312 L CA 0.226 55.031 54.840 -0.059 0.000 0.823 312 L CB 0.606 42.564 42.059 -0.169 0.000 1.099 312 L HN 0.472 nan 8.230 nan 0.000 0.483 313 S N -0.098 115.569 115.700 -0.056 0.000 2.617 313 S HA 0.129 4.600 4.470 0.001 0.000 0.269 313 S C 0.696 175.256 174.600 -0.065 0.000 1.292 313 S CA -0.729 57.458 58.200 -0.023 0.000 1.010 313 S CB 1.276 64.509 63.200 0.054 0.000 0.944 313 S HN 0.658 nan 8.310 nan 0.000 0.536 314 E N 0.004 120.195 120.200 -0.016 0.000 2.267 314 E HA -0.176 4.174 4.350 0.001 0.000 0.197 314 E C 1.334 178.027 176.600 0.154 0.000 0.998 314 E CA 1.335 57.757 56.400 0.037 0.000 0.830 314 E CB -0.281 29.542 29.700 0.205 0.000 0.751 314 E HN 0.854 nan 8.360 nan 0.000 0.491 315 Y N 1.544 121.855 120.300 0.020 0.000 2.184 315 Y HA -0.165 4.385 4.550 0.001 0.000 0.290 315 Y C 1.946 177.842 175.900 -0.007 0.000 1.129 315 Y CA 1.537 59.651 58.100 0.024 0.000 1.144 315 Y CB 0.191 38.652 38.460 0.002 0.000 0.995 315 Y HN -0.058 nan 8.280 nan 0.000 0.513 316 E N 0.471 120.556 120.200 -0.192 0.000 2.015 316 E HA -0.186 4.164 4.350 0.001 0.000 0.191 316 E C 2.404 178.812 176.600 -0.320 0.000 0.991 316 E CA 1.037 57.242 56.400 -0.325 0.000 0.802 316 E CB -0.396 29.192 29.700 -0.188 0.000 0.759 316 E HN 0.569 nan 8.360 nan 0.000 0.447 317 A N 1.234 123.874 122.820 -0.299 0.000 1.940 317 A HA -0.157 4.164 4.320 0.001 0.000 0.219 317 A C 2.419 179.955 177.584 -0.080 0.000 1.176 317 A CA 1.862 53.701 52.037 -0.329 0.000 0.631 317 A CB -1.306 17.313 19.000 -0.634 0.000 0.814 317 A HN 0.378 nan 8.150 nan 0.000 0.446 318 G N -0.093 108.780 108.800 0.121 0.000 2.440 318 G HA2 -0.221 3.739 3.960 0.001 0.000 0.218 318 G HA3 -0.221 3.739 3.960 0.001 0.000 0.218 318 G C 1.540 176.468 174.900 0.046 0.000 1.154 318 G CA 1.134 46.401 45.100 0.277 0.000 0.767 318 G HN 0.483 nan 8.290 nan 0.000 0.552 319 I N 0.374 120.876 120.570 -0.112 0.000 2.179 319 I HA -0.121 4.050 4.170 0.001 0.000 0.242 319 I C 2.570 178.656 176.117 -0.052 0.000 1.088 319 I CA 0.812 62.035 61.300 -0.128 0.000 1.357 319 I CB -0.089 37.741 38.000 -0.283 0.000 1.051 319 I HN 0.114 nan 8.210 nan 0.000 0.409 320 L N -0.402 120.764 121.223 -0.096 0.000 2.376 320 L HA -0.116 4.225 4.340 0.001 0.000 0.219 320 L C 2.131 179.036 176.870 0.059 0.000 1.133 320 L CA 0.648 55.447 54.840 -0.068 0.000 0.816 320 L CB -0.257 41.683 42.059 -0.199 0.000 0.933 320 L HN 0.159 nan 8.230 nan 0.000 0.449 321 V N -1.045 118.935 119.914 0.110 0.000 2.922 321 V HA -0.015 4.106 4.120 0.001 0.000 0.242 321 V C 1.902 178.130 176.094 0.223 0.000 1.094 321 V CA 0.617 63.042 62.300 0.209 0.000 1.106 321 V CB -0.139 31.806 31.823 0.204 0.000 0.799 321 V HN 0.385 nan 8.190 nan 0.000 0.474 322 N N -0.089 118.696 118.700 0.141 0.000 2.309 322 N HA -0.093 4.647 4.740 0.001 0.000 0.182 322 N C 0.760 176.370 175.510 0.166 0.000 1.018 322 N CA 0.933 54.051 53.050 0.114 0.000 0.876 322 N CB -0.169 38.348 38.487 0.051 0.000 0.972 322 N HN 0.422 nan 8.380 nan 0.000 0.434 323 H N 0.958 120.069 119.070 0.070 0.000 2.786 323 H HA 0.221 4.778 4.556 0.001 0.000 0.284 323 H C 0.772 176.130 175.328 0.049 0.000 1.104 323 H CA -0.444 55.630 56.048 0.044 0.000 1.339 323 H CB 0.538 30.303 29.762 0.004 0.000 1.427 323 H HN -0.064 nan 8.280 nan 0.000 0.497 324 K N 2.826 123.383 120.400 0.262 0.000 2.074 324 K HA -0.193 4.128 4.320 0.001 0.000 0.209 324 K C 0.771 177.376 176.600 0.008 0.000 1.048 324 K CA 1.969 58.277 56.287 0.035 0.000 0.926 324 K CB 0.424 32.680 32.500 -0.407 0.000 0.713 324 K HN 0.437 nan 8.250 nan 0.000 0.444 325 E N 0.081 120.300 120.200 0.033 0.000 2.268 325 E HA -0.115 4.236 4.350 0.001 0.000 0.195 325 E C 1.786 178.335 176.600 -0.084 0.000 0.995 325 E CA 0.795 57.173 56.400 -0.037 0.000 0.836 325 E CB 0.081 29.775 29.700 -0.010 0.000 0.763 325 E HN 0.107 nan 8.360 nan 0.000 0.491 326 V N 0.255 120.034 119.914 -0.225 0.000 2.323 326 V HA -0.137 3.984 4.120 0.001 0.000 0.244 326 V C 2.279 178.397 176.094 0.041 0.000 1.041 326 V CA 1.926 64.130 62.300 -0.161 0.000 1.025 326 V CB -1.042 30.627 31.823 -0.256 0.000 0.656 326 V HN 0.431 nan 8.190 nan 0.000 0.451 327 G N -0.037 108.788 108.800 0.041 0.000 2.440 327 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 327 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 327 G C 1.227 176.220 174.900 0.155 0.000 1.154 327 G CA 1.107 46.263 45.100 0.093 0.000 0.767 327 G HN 0.505 nan 8.290 nan 0.000 0.552 328 D N 0.020 120.482 120.400 0.102 0.000 2.117 328 D HA -0.109 4.531 4.640 0.001 0.000 0.197 328 D C 1.984 178.346 176.300 0.103 0.000 0.987 328 D CA 0.542 54.589 54.000 0.079 0.000 0.829 328 D CB -0.417 40.400 40.800 0.029 0.000 0.961 328 D HN 0.340 nan 8.370 nan 0.000 0.460 329 F N 0.704 120.651 119.950 -0.005 0.000 2.046 329 F HA -0.242 4.286 4.527 0.001 0.000 0.297 329 F C 2.249 178.059 175.800 0.016 0.000 1.123 329 F CA 1.264 59.258 58.000 -0.009 0.000 1.199 329 F CB -0.387 38.598 39.000 -0.026 0.000 0.972 329 F HN -0.116 nan 8.300 nan 0.000 0.474 330 F N 1.488 121.573 119.950 0.224 0.000 2.087 330 F HA -0.284 4.243 4.527 0.001 0.000 0.299 330 F C 2.294 178.061 175.800 -0.055 0.000 1.100 330 F CA 2.452 60.496 58.000 0.074 0.000 1.226 330 F CB -0.685 38.288 39.000 -0.045 0.000 0.983 330 F HN 0.103 nan 8.300 nan 0.000 0.479 331 E N -0.443 119.708 120.200 -0.080 0.000 2.152 331 E HA -0.218 4.133 4.350 0.001 0.000 0.192 331 E C 2.131 178.636 176.600 -0.157 0.000 0.983 331 E CA 1.054 57.340 56.400 -0.191 0.000 0.818 331 E CB -0.334 29.391 29.700 0.041 0.000 0.758 331 E HN 0.606 nan 8.360 nan 0.000 0.467 332 E N 0.554 120.678 120.200 -0.127 0.000 2.208 332 E HA -0.135 4.215 4.350 0.001 0.000 0.193 332 E C 1.898 178.450 176.600 -0.079 0.000 0.988 332 E CA 0.688 57.025 56.400 -0.106 0.000 0.828 332 E CB 0.089 29.697 29.700 -0.153 0.000 0.763 332 E HN 0.187 nan 8.360 nan 0.000 0.478 333 A N 0.591 123.283 122.820 -0.212 0.000 1.855 333 A HA -0.086 4.234 4.320 0.001 0.000 0.213 333 A C 2.297 179.812 177.584 -0.115 0.000 1.195 333 A CA 0.959 52.897 52.037 -0.166 0.000 0.610 333 A CB -0.811 18.092 19.000 -0.162 0.000 0.837 333 A HN 0.238 nan 8.150 nan 0.000 0.444 334 V N -0.012 119.703 119.914 -0.333 0.000 2.794 334 V HA -0.245 3.875 4.120 0.001 0.000 0.260 334 V C 2.503 178.540 176.094 -0.094 0.000 1.103 334 V CA 2.512 64.638 62.300 -0.289 0.000 1.125 334 V CB -0.772 30.748 31.823 -0.506 0.000 0.702 334 V HN 0.626 nan 8.190 nan 0.000 0.494 335 R N -1.358 119.105 120.500 -0.062 0.000 2.093 335 R HA -0.078 4.263 4.340 0.001 0.000 0.224 335 R C 2.159 178.410 176.300 -0.081 0.000 1.101 335 R CA 1.571 57.632 56.100 -0.065 0.000 0.979 335 R CB -0.233 30.009 30.300 -0.097 0.000 0.877 335 R HN 0.693 nan 8.270 nan 0.000 0.441 336 H N -2.283 116.769 119.070 -0.029 0.000 2.395 336 H HA 0.057 4.614 4.556 0.001 0.000 0.299 336 H C -0.539 174.872 175.328 0.139 0.000 1.070 336 H CA 1.221 57.282 56.048 0.022 0.000 1.356 336 H CB 0.265 30.021 29.762 -0.010 0.000 1.401 336 H HN 0.015 nan 8.280 nan 0.000 0.524 337 F N 0.565 120.545 119.950 0.051 0.000 2.671 337 F HA 0.273 4.801 4.527 0.001 0.000 0.332 337 F C -0.492 175.310 175.800 0.004 0.000 1.189 337 F CA -1.525 56.487 58.000 0.020 0.000 0.988 337 F CB 1.071 40.083 39.000 0.019 0.000 1.258 337 F HN -0.312 nan 8.300 nan 0.000 0.471 338 K N 3.861 124.088 120.400 -0.289 0.000 3.000 338 K HA 0.060 4.381 4.320 0.001 0.000 0.265 338 K C -0.286 176.041 176.600 -0.455 0.000 1.260 338 K CA 0.270 56.389 56.287 -0.280 0.000 1.209 338 K CB -0.192 32.224 32.500 -0.139 0.000 1.484 338 K HN 0.474 nan 8.250 nan 0.000 0.283 339 E N 1.803 121.646 120.200 -0.596 0.000 2.916 339 E HA 0.161 4.512 4.350 0.001 0.000 0.217 339 E C -2.130 174.402 176.600 -0.114 0.000 1.100 339 E CA -2.617 53.524 56.400 -0.431 0.000 0.891 339 E CB 0.912 30.199 29.700 -0.688 0.000 1.311 339 E HN 0.177 nan 8.360 nan 0.000 0.421 340 P HA -0.205 nan 4.420 nan 0.000 0.214 340 P C 1.246 178.695 177.300 0.248 0.000 1.162 340 P CA 1.036 64.258 63.100 0.203 0.000 0.879 340 P CB 0.349 32.273 31.700 0.374 0.000 0.786 341 K N 0.063 120.560 120.400 0.162 0.000 2.074 341 K HA -0.128 4.193 4.320 0.001 0.000 0.209 341 K C 2.307 179.003 176.600 0.161 0.000 1.048 341 K CA 2.075 58.444 56.287 0.138 0.000 0.926 341 K CB -1.038 31.517 32.500 0.092 0.000 0.713 341 K HN 0.121 nan 8.250 nan 0.000 0.444 342 G N 1.162 110.067 108.800 0.176 0.000 2.402 342 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 342 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 342 G C 1.582 176.698 174.900 0.360 0.000 1.162 342 G CA 0.645 45.908 45.100 0.270 0.000 0.777 342 G HN 0.257 nan 8.290 nan 0.000 0.539 343 I N 1.155 121.902 120.570 0.294 0.000 2.252 343 I HA -0.152 4.018 4.170 0.001 0.000 0.245 343 I C 2.871 179.215 176.117 0.378 0.000 1.102 343 I CA 0.902 62.395 61.300 0.321 0.000 1.385 343 I CB -0.155 37.944 38.000 0.166 0.000 1.064 343 I HN 0.146 nan 8.210 nan 0.000 0.414 344 V N -0.731 119.411 119.914 0.381 0.000 2.490 344 V HA -0.201 3.919 4.120 0.001 0.000 0.250 344 V C 2.093 178.262 176.094 0.125 0.000 1.061 344 V CA 1.755 64.181 62.300 0.211 0.000 1.064 344 V CB -1.156 30.681 31.823 0.023 0.000 0.670 344 V HN 0.368 nan 8.190 nan 0.000 0.461 345 N N 0.306 119.081 118.700 0.125 0.000 2.039 345 N HA -0.151 4.589 4.740 0.001 0.000 0.193 345 N C 1.442 176.930 175.510 -0.038 0.000 1.044 345 N CA 2.236 55.285 53.050 -0.002 0.000 0.847 345 N CB -0.654 37.791 38.487 -0.070 0.000 1.030 345 N HN 0.700 nan 8.380 nan 0.000 0.422 346 W N 0.770 122.120 121.300 0.083 0.000 2.425 346 W HA 0.062 4.723 4.660 0.001 0.000 0.277 346 W C 2.038 178.590 176.519 0.054 0.000 1.231 346 W CA -0.133 57.255 57.345 0.071 0.000 1.248 346 W CB -0.423 29.089 29.460 0.088 0.000 1.117 346 W HN 0.080 nan 8.180 nan 0.000 0.568 347 L N 0.331 121.708 121.223 0.256 0.000 1.988 347 L HA -0.116 4.224 4.340 0.001 0.000 0.207 347 L C 2.018 178.907 176.870 0.031 0.000 1.071 347 L CA 1.992 56.905 54.840 0.123 0.000 0.744 347 L CB -1.067 41.082 42.059 0.149 0.000 0.893 347 L HN -0.034 nan 8.230 nan 0.000 0.433 348 I N -0.230 120.351 120.570 0.018 0.000 2.233 348 I HA -0.231 3.940 4.170 0.001 0.000 0.243 348 I C 1.827 177.938 176.117 -0.009 0.000 1.093 348 I CA 1.087 62.376 61.300 -0.019 0.000 1.380 348 I CB -0.407 37.575 38.000 -0.030 0.000 1.067 348 I HN 0.367 nan 8.210 nan 0.000 0.413 349 N N 0.033 118.718 118.700 -0.025 0.000 2.376 349 N HA -0.069 4.672 4.740 0.001 0.000 0.177 349 N C 1.079 176.559 175.510 -0.050 0.000 1.024 349 N CA 0.992 54.006 53.050 -0.060 0.000 0.893 349 N CB 0.079 38.478 38.487 -0.147 0.000 0.980 349 N HN 0.422 nan 8.380 nan 0.000 0.439 350 D N -0.469 119.931 120.400 0.001 0.000 3.234 350 D HA 0.018 4.659 4.640 0.001 0.000 0.281 350 D C 1.796 178.145 176.300 0.080 0.000 1.405 350 D CA -0.183 53.861 54.000 0.073 0.000 1.115 350 D CB -0.071 40.865 40.800 0.226 0.000 1.198 350 D HN -0.069 nan 8.370 nan 0.000 0.388 351 L N 1.689 122.967 121.223 0.092 0.000 1.989 351 L HA -0.129 4.212 4.340 0.001 0.000 0.211 351 L C 2.240 179.089 176.870 -0.036 0.000 1.071 351 L CA 1.433 56.288 54.840 0.025 0.000 0.749 351 L CB -0.757 41.292 42.059 -0.017 0.000 0.890 351 L HN -0.026 nan 8.230 nan 0.000 0.431 352 L N 0.034 121.221 121.223 -0.060 0.000 2.013 352 L HA -0.164 4.176 4.340 0.001 0.000 0.212 352 L C 2.512 179.362 176.870 -0.033 0.000 1.073 352 L CA 2.223 57.020 54.840 -0.073 0.000 0.753 352 L CB -1.779 40.238 42.059 -0.070 0.000 0.890 352 L HN 0.429 nan 8.230 nan 0.000 0.432 353 G N -1.842 106.951 108.800 -0.012 0.000 2.448 353 G HA2 -0.137 3.824 3.960 0.001 0.000 0.218 353 G HA3 -0.137 3.824 3.960 0.001 0.000 0.218 353 G C 1.704 176.607 174.900 0.005 0.000 1.135 353 G CA 0.371 45.471 45.100 0.000 0.000 0.784 353 G HN 0.322 nan 8.290 nan 0.000 0.543 354 L N -0.142 121.086 121.223 0.008 0.000 2.056 354 L HA 0.035 4.375 4.340 0.001 0.000 0.207 354 L C 2.848 179.722 176.870 0.006 0.000 1.078 354 L CA 0.635 55.484 54.840 0.015 0.000 0.749 354 L CB -0.270 41.806 42.059 0.030 0.000 0.901 354 L HN 0.208 nan 8.230 nan 0.000 0.433 355 L N -1.051 120.167 121.223 -0.009 0.000 2.056 355 L HA -0.183 4.158 4.340 0.001 0.000 0.207 355 L C 2.769 179.636 176.870 -0.005 0.000 1.078 355 L CA 1.065 55.898 54.840 -0.013 0.000 0.749 355 L CB -0.631 41.404 42.059 -0.040 0.000 0.901 355 L HN 0.175 nan 8.230 nan 0.000 0.433 356 R N 0.327 120.824 120.500 -0.005 0.000 2.096 356 R HA -0.201 4.140 4.340 0.001 0.000 0.240 356 R C 1.928 178.232 176.300 0.006 0.000 1.139 356 R CA 1.975 58.077 56.100 0.003 0.000 0.952 356 R CB -0.560 29.743 30.300 0.005 0.000 0.854 356 R HN 0.391 nan 8.270 nan 0.000 0.436 357 D N 0.218 120.622 120.400 0.007 0.000 2.144 357 D HA -0.116 4.525 4.640 0.001 0.000 0.199 357 D C 1.678 177.984 176.300 0.010 0.000 0.984 357 D CA 1.233 55.238 54.000 0.009 0.000 0.834 357 D CB -0.047 40.760 40.800 0.011 0.000 0.955 357 D HN 0.215 nan 8.370 nan 0.000 0.465 358 K N -0.648 119.758 120.400 0.010 0.000 2.296 358 K HA 0.108 4.429 4.320 0.001 0.000 0.200 358 K C 1.177 177.783 176.600 0.011 0.000 1.048 358 K CA 0.793 57.086 56.287 0.011 0.000 0.966 358 K CB 0.444 32.951 32.500 0.012 0.000 0.754 358 K HN 0.192 nan 8.250 nan 0.000 0.466 359 G N 2.451 111.257 108.800 0.009 0.000 2.130 359 G HA2 -0.239 3.722 3.960 0.001 0.000 0.216 359 G HA3 -0.239 3.722 3.960 0.001 0.000 0.216 359 G C -0.079 174.828 174.900 0.011 0.000 0.999 359 G CA 0.059 45.164 45.100 0.010 0.000 0.686 359 G HN 0.388 nan 8.290 nan 0.000 0.515 360 I N 1.661 122.237 120.570 0.010 0.000 2.359 360 I HA 0.689 4.859 4.170 0.001 0.000 0.294 360 I C 0.741 176.864 176.117 0.010 0.000 0.987 360 I CA -0.247 61.060 61.300 0.011 0.000 1.225 360 I CB 1.389 39.397 38.000 0.012 0.000 1.366 360 I HN 0.363 nan 8.210 nan 0.000 0.466 361 S N 5.949 121.661 115.700 0.019 0.000 2.592 361 S HA 0.155 4.626 4.470 0.001 0.000 0.271 361 S C 0.946 175.549 174.600 0.004 0.000 1.326 361 S CA -0.627 57.592 58.200 0.031 0.000 1.024 361 S CB 1.490 64.719 63.200 0.049 0.000 0.921 361 S HN 0.780 nan 8.310 nan 0.000 0.527 362 I N 1.449 121.998 120.570 -0.034 0.000 2.454 362 I HA -0.101 4.069 4.170 0.001 0.000 0.254 362 I C 1.915 178.041 176.117 0.015 0.000 1.156 362 I CA 1.527 62.764 61.300 -0.104 0.000 1.433 362 I CB -0.624 37.212 38.000 -0.272 0.000 1.082 362 I HN 0.828 nan 8.210 nan 0.000 0.432 363 E N 0.351 120.573 120.200 0.037 0.000 2.153 363 E HA -0.205 4.145 4.350 0.001 0.000 0.194 363 E C 1.619 178.258 176.600 0.064 0.000 0.988 363 E CA 1.430 57.868 56.400 0.063 0.000 0.811 363 E CB -0.171 29.559 29.700 0.049 0.000 0.746 363 E HN 0.568 nan 8.360 nan 0.000 0.466 364 E N 0.309 120.538 120.200 0.050 0.000 2.501 364 E HA 0.087 4.438 4.350 0.001 0.000 0.200 364 E C -0.427 176.203 176.600 0.050 0.000 1.016 364 E CA -0.205 56.222 56.400 0.045 0.000 0.921 364 E CB 0.648 30.369 29.700 0.033 0.000 1.034 364 E HN 0.099 nan 8.360 nan 0.000 0.468 365 S N 0.689 116.427 115.700 0.063 0.000 2.562 365 S HA 0.085 4.556 4.470 0.001 0.000 0.281 365 S C -1.653 173.001 174.600 0.089 0.000 1.333 365 S CA -1.138 57.099 58.200 0.062 0.000 1.052 365 S CB 1.084 64.306 63.200 0.037 0.000 0.884 365 S HN -0.150 nan 8.310 nan 0.000 0.506 366 P HA 0.008 nan 4.420 nan 0.000 0.218 366 P C -0.149 177.247 177.300 0.160 0.000 1.149 366 P CA 0.476 63.634 63.100 0.097 0.000 0.817 366 P CB -0.119 31.626 31.700 0.075 0.000 0.785 367 V N 1.534 121.552 119.914 0.172 0.000 2.397 367 V HA 0.048 4.168 4.120 0.001 0.000 0.262 367 V C 0.733 176.973 176.094 0.244 0.000 1.047 367 V CA -0.112 62.336 62.300 0.247 0.000 1.003 367 V CB -0.404 31.546 31.823 0.211 0.000 1.037 367 V HN 0.043 nan 8.190 nan 0.000 0.480 368 K N 5.998 126.367 120.400 -0.050 0.000 2.126 368 K HA 0.288 4.608 4.320 0.001 0.000 0.257 368 K C -1.529 174.815 176.600 -0.427 0.000 1.007 368 K CA -1.557 54.551 56.287 -0.299 0.000 0.928 368 K CB 0.681 32.827 32.500 -0.591 0.000 1.013 368 K HN 0.214 nan 8.250 nan 0.000 0.473 369 P HA -0.238 nan 4.420 nan 0.000 0.218 369 P C 0.107 177.082 177.300 -0.540 0.000 1.150 369 P CA 1.492 64.032 63.100 -0.933 0.000 0.841 369 P CB 0.242 31.386 31.700 -0.927 0.000 0.784 370 E N -2.207 117.593 120.200 -0.668 0.000 2.106 370 E HA -0.186 4.165 4.350 0.001 0.000 0.192 370 E C 1.907 178.375 176.600 -0.220 0.000 0.984 370 E CA 1.063 57.055 56.400 -0.679 0.000 0.806 370 E CB -0.771 28.527 29.700 -0.670 0.000 0.750 370 E HN 0.456 nan 8.360 nan 0.000 0.458 371 H N -0.360 118.601 119.070 -0.182 0.000 2.395 371 H HA 0.025 4.581 4.556 0.001 0.000 0.299 371 H C 2.012 177.298 175.328 -0.070 0.000 1.070 371 H CA 0.751 56.738 56.048 -0.102 0.000 1.356 371 H CB -0.468 29.263 29.762 -0.052 0.000 1.401 371 H HN 0.099 nan 8.280 nan 0.000 0.524 372 L N 0.693 121.978 121.223 0.102 0.000 2.056 372 L HA 0.018 4.359 4.340 0.001 0.000 0.207 372 L C 2.413 179.312 176.870 0.048 0.000 1.078 372 L CA 1.500 56.399 54.840 0.099 0.000 0.749 372 L CB -0.663 41.544 42.059 0.247 0.000 0.901 372 L HN 0.192 nan 8.230 nan 0.000 0.433 373 A N -1.058 121.781 122.820 0.032 0.000 1.933 373 A HA -0.245 4.076 4.320 0.001 0.000 0.218 373 A C 2.313 179.907 177.584 0.015 0.000 1.175 373 A CA 1.790 53.885 52.037 0.096 0.000 0.628 373 A CB -0.612 18.448 19.000 0.100 0.000 0.814 373 A HN 0.590 nan 8.150 nan 0.000 0.444 374 E N -0.582 119.584 120.200 -0.057 0.000 2.047 374 E HA -0.170 4.180 4.350 0.001 0.000 0.191 374 E C 1.958 178.452 176.600 -0.176 0.000 0.987 374 E CA 1.235 57.557 56.400 -0.130 0.000 0.799 374 E CB -0.181 29.471 29.700 -0.080 0.000 0.752 374 E HN 0.468 nan 8.360 nan 0.000 0.449 375 L N 0.681 121.811 121.223 -0.155 0.000 2.012 375 L HA -0.158 4.183 4.340 0.001 0.000 0.210 375 L C 2.247 178.930 176.870 -0.312 0.000 1.073 375 L CA 1.484 56.179 54.840 -0.242 0.000 0.748 375 L CB -0.567 41.327 42.059 -0.275 0.000 0.891 375 L HN 0.014 nan 8.230 nan 0.000 0.431 376 V N -0.000 119.766 119.914 -0.247 0.000 2.594 376 V HA -0.291 3.830 4.120 0.001 0.000 0.253 376 V C 2.686 178.768 176.094 -0.020 0.000 1.069 376 V CA 1.963 64.179 62.300 -0.140 0.000 1.082 376 V CB -0.810 31.082 31.823 0.115 0.000 0.680 376 V HN 0.542 nan 8.190 nan 0.000 0.469 377 K N 0.080 120.330 120.400 -0.250 0.000 2.057 377 K HA -0.154 4.166 4.320 0.001 0.000 0.207 377 K C 2.068 178.490 176.600 -0.296 0.000 1.049 377 K CA 1.527 57.433 56.287 -0.635 0.000 0.931 377 K CB -0.179 31.767 32.500 -0.924 0.000 0.714 377 K HN 0.424 nan 8.250 nan 0.000 0.440 378 L N 0.997 122.083 121.223 -0.228 0.000 2.141 378 L HA -0.169 4.172 4.340 0.001 0.000 0.209 378 L C 2.256 179.071 176.870 -0.092 0.000 1.094 378 L CA 0.381 55.130 54.840 -0.152 0.000 0.763 378 L CB -0.377 41.590 42.059 -0.154 0.000 0.908 378 L HN 0.203 nan 8.230 nan 0.000 0.437 379 I N 0.270 120.786 120.570 -0.090 0.000 2.286 379 I HA -0.213 3.958 4.170 0.001 0.000 0.245 379 I C 2.544 178.706 176.117 0.075 0.000 1.104 379 I CA 1.339 62.641 61.300 0.002 0.000 1.397 379 I CB -0.942 37.072 38.000 0.022 0.000 1.072 379 I HN 0.215 nan 8.210 nan 0.000 0.417 380 K N 1.717 122.179 120.400 0.103 0.000 2.057 380 K HA -0.130 4.190 4.320 0.001 0.000 0.206 380 K C 1.741 178.397 176.600 0.094 0.000 1.050 380 K CA 1.397 57.775 56.287 0.151 0.000 0.935 380 K CB -0.087 32.587 32.500 0.291 0.000 0.715 380 K HN 0.287 nan 8.250 nan 0.000 0.439 381 E N 0.413 120.636 120.200 0.038 0.000 2.502 381 E HA 0.003 4.354 4.350 0.001 0.000 0.194 381 E C -0.444 176.160 176.600 0.008 0.000 1.062 381 E CA 0.068 56.476 56.400 0.014 0.000 0.867 381 E CB 0.157 29.836 29.700 -0.035 0.000 0.888 381 E HN 0.209 nan 8.360 nan 0.000 0.510 382 K N -0.760 119.650 120.400 0.017 0.000 3.160 382 K HA -0.209 4.112 4.320 0.001 0.000 0.280 382 K C 0.834 177.433 176.600 -0.000 0.000 1.154 382 K CA 0.248 56.545 56.287 0.018 0.000 0.822 382 K CB -1.777 30.738 32.500 0.026 0.000 1.239 382 K HN 0.037 nan 8.250 nan 0.000 0.489 383 V N 0.163 120.065 119.914 -0.020 0.000 2.379 383 V HA -0.087 4.034 4.120 0.001 0.000 0.245 383 V C 1.304 177.382 176.094 -0.026 0.000 1.044 383 V CA 1.992 64.273 62.300 -0.030 0.000 1.036 383 V CB -0.519 31.272 31.823 -0.053 0.000 0.664 383 V HN 0.454 nan 8.190 nan 0.000 0.453 384 I N -2.828 117.725 120.570 -0.028 0.000 3.145 384 I HA 0.706 4.877 4.170 0.001 0.000 0.313 384 I C -0.032 176.091 176.117 0.010 0.000 1.122 384 I CA -0.747 60.543 61.300 -0.016 0.000 0.987 384 I CB 2.091 40.070 38.000 -0.035 0.000 1.236 384 I HN 0.009 nan 8.210 nan 0.000 0.453 385 S N 0.756 116.472 115.700 0.027 0.000 2.632 385 S HA 0.302 4.773 4.470 0.001 0.000 0.271 385 S C 0.857 175.517 174.600 0.100 0.000 1.260 385 S CA -0.008 58.228 58.200 0.059 0.000 1.010 385 S CB 1.323 64.555 63.200 0.052 0.000 0.965 385 S HN 0.747 nan 8.310 nan 0.000 0.534 386 T N 1.525 116.173 114.554 0.157 0.000 2.699 386 T HA -0.161 4.190 4.350 0.001 0.000 0.268 386 T C 1.695 176.536 174.700 0.236 0.000 1.036 386 T CA 1.698 63.962 62.100 0.273 0.000 1.147 386 T CB -0.424 68.579 68.868 0.225 0.000 0.862 386 T HN 0.671 nan 8.240 nan 0.000 0.446 387 K N 0.328 120.810 120.400 0.137 0.000 2.032 387 K HA -0.097 4.224 4.320 0.001 0.000 0.209 387 K C 2.166 178.824 176.600 0.096 0.000 1.048 387 K CA 1.201 57.550 56.287 0.104 0.000 0.927 387 K CB -0.192 32.347 32.500 0.065 0.000 0.712 387 K HN 0.237 nan 8.250 nan 0.000 0.441 388 I N 0.467 121.081 120.570 0.073 0.000 2.353 388 I HA -0.113 4.058 4.170 0.001 0.000 0.248 388 I C 2.467 178.604 176.117 0.033 0.000 1.119 388 I CA 1.219 62.543 61.300 0.041 0.000 1.417 388 I CB -1.704 36.306 38.000 0.017 0.000 1.078 388 I HN 0.248 nan 8.210 nan 0.000 0.421 389 G N 0.921 109.748 108.800 0.045 0.000 2.442 389 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 389 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 389 G C 1.795 176.744 174.900 0.082 0.000 1.141 389 G CA 0.435 45.511 45.100 -0.040 0.000 0.763 389 G HN 0.349 nan 8.290 nan 0.000 0.554 390 K N -0.028 120.530 120.400 0.264 0.000 2.366 390 K HA 0.065 4.385 4.320 0.001 0.000 0.198 390 K C 2.237 178.924 176.600 0.144 0.000 1.044 390 K CA 0.550 57.009 56.287 0.287 0.000 0.973 390 K CB 0.095 32.742 32.500 0.245 0.000 0.767 390 K HN 0.385 nan 8.250 nan 0.000 0.475 391 E N 0.204 120.458 120.200 0.089 0.000 2.122 391 E HA -0.108 4.243 4.350 0.001 0.000 0.190 391 E C 1.990 178.607 176.600 0.028 0.000 0.977 391 E CA 1.018 57.449 56.400 0.050 0.000 0.820 391 E CB 0.291 30.013 29.700 0.036 0.000 0.770 391 E HN 0.161 nan 8.360 nan 0.000 0.462 392 V N -0.542 119.377 119.914 0.008 0.000 2.591 392 V HA -0.098 4.022 4.120 0.001 0.000 0.249 392 V C 2.178 178.263 176.094 -0.016 0.000 1.053 392 V CA 0.964 63.251 62.300 -0.021 0.000 1.068 392 V CB -0.433 31.357 31.823 -0.056 0.000 0.689 392 V HN 0.150 nan 8.190 nan 0.000 0.462 393 I N 0.007 120.580 120.570 0.006 0.000 2.286 393 I HA -0.183 3.988 4.170 0.001 0.000 0.248 393 I C 2.746 178.893 176.117 0.051 0.000 1.115 393 I CA 1.617 62.939 61.300 0.037 0.000 1.392 393 I CB -0.135 37.932 38.000 0.112 0.000 1.065 393 I HN 0.231 nan 8.210 nan 0.000 0.418 394 K N 0.038 120.471 120.400 0.055 0.000 2.147 394 K HA -0.227 4.094 4.320 0.001 0.000 0.205 394 K C 1.970 178.586 176.600 0.027 0.000 1.049 394 K CA 1.445 57.759 56.287 0.044 0.000 0.936 394 K CB -0.079 32.448 32.500 0.044 0.000 0.722 394 K HN 0.451 nan 8.250 nan 0.000 0.446 395 E N 0.229 120.439 120.200 0.016 0.000 2.190 395 E HA -0.007 4.344 4.350 0.001 0.000 0.191 395 E C 1.991 178.591 176.600 -0.000 0.000 0.978 395 E CA 0.130 56.533 56.400 0.005 0.000 0.839 395 E CB 0.183 29.881 29.700 -0.004 0.000 0.787 395 E HN 0.217 nan 8.360 nan 0.000 0.473 396 M N 0.188 119.786 119.600 -0.003 0.000 2.082 396 M HA -0.220 4.261 4.480 0.001 0.000 0.258 396 M C 2.282 178.597 176.300 0.025 0.000 1.069 396 M CA 1.379 56.679 55.300 -0.001 0.000 1.102 396 M CB -0.128 32.473 32.600 0.002 0.000 1.336 396 M HN 0.051 nan 8.290 nan 0.000 0.404 397 V N -0.248 119.686 119.914 0.033 0.000 2.343 397 V HA -0.246 3.874 4.120 0.001 0.000 0.247 397 V C 2.139 178.248 176.094 0.026 0.000 1.051 397 V CA 2.034 64.355 62.300 0.035 0.000 1.036 397 V CB -0.608 31.235 31.823 0.033 0.000 0.654 397 V HN 0.434 nan 8.190 nan 0.000 0.451 398 E N 0.364 120.575 120.200 0.019 0.000 2.072 398 E HA -0.169 4.182 4.350 0.001 0.000 0.191 398 E C 2.273 178.880 176.600 0.012 0.000 0.985 398 E CA 2.055 58.464 56.400 0.014 0.000 0.801 398 E CB -0.158 29.549 29.700 0.011 0.000 0.750 398 E HN 0.811 nan 8.360 nan 0.000 0.452 399 T N -5.084 109.474 114.554 0.007 0.000 3.146 399 T HA 0.382 4.732 4.350 0.001 0.000 0.235 399 T C 1.567 176.272 174.700 0.008 0.000 0.985 399 T CA 0.680 62.781 62.100 0.003 0.000 1.265 399 T CB 0.354 69.216 68.868 -0.010 0.000 0.946 399 T HN 0.275 nan 8.240 nan 0.000 0.418 400 G N 1.146 109.950 108.800 0.006 0.000 2.234 400 G HA2 -0.051 3.909 3.960 0.001 0.000 0.153 400 G HA3 -0.051 3.909 3.960 0.001 0.000 0.153 400 G C -0.152 174.733 174.900 -0.024 0.000 1.013 400 G CA -0.300 44.813 45.100 0.022 0.000 0.712 400 G HN 0.711 nan 8.290 nan 0.000 0.491 401 K N 1.634 121.994 120.400 -0.066 0.000 2.202 401 K HA 0.521 4.842 4.320 0.001 0.000 0.264 401 K C 0.801 177.247 176.600 -0.256 0.000 1.010 401 K CA 0.104 56.315 56.287 -0.127 0.000 0.940 401 K CB 0.583 33.030 32.500 -0.088 0.000 0.983 401 K HN 0.178 nan 8.250 nan 0.000 0.475 402 T N 2.035 116.378 114.554 -0.352 0.000 2.903 402 T HA -0.016 4.334 4.350 0.001 0.000 0.314 402 T C -1.563 172.976 174.700 -0.267 0.000 1.078 402 T CA -1.342 60.468 62.100 -0.483 0.000 1.114 402 T CB 0.163 68.830 68.868 -0.336 0.000 0.987 402 T HN 0.424 nan 8.240 nan 0.000 0.548 403 P HA -0.184 nan 4.420 nan 0.000 0.215 403 P C 1.845 179.066 177.300 -0.130 0.000 1.157 403 P CA 1.623 64.631 63.100 -0.153 0.000 0.874 403 P CB -0.230 31.382 31.700 -0.147 0.000 0.790 404 S N -0.993 114.629 115.700 -0.129 0.000 2.447 404 S HA -0.171 4.299 4.470 0.001 0.000 0.233 404 S C 2.220 176.766 174.600 -0.090 0.000 1.006 404 S CA 0.662 58.801 58.200 -0.102 0.000 0.957 404 S CB -1.104 62.040 63.200 -0.094 0.000 0.773 404 S HN 0.128 nan 8.310 nan 0.000 0.507 405 Q N 1.068 120.805 119.800 -0.104 0.000 2.002 405 Q HA -0.089 4.252 4.340 0.001 0.000 0.204 405 Q C 2.304 178.261 176.000 -0.071 0.000 0.988 405 Q CA 2.140 57.891 55.803 -0.087 0.000 0.843 405 Q CB -0.408 28.268 28.738 -0.103 0.000 0.908 405 Q HN 0.885 nan 8.270 nan 0.000 0.420 406 I N -2.179 118.345 120.570 -0.077 0.000 2.928 406 I HA -0.102 4.069 4.170 0.001 0.000 0.266 406 I C 2.077 178.163 176.117 -0.051 0.000 1.234 406 I CA 0.283 61.548 61.300 -0.059 0.000 1.483 406 I CB -0.356 37.611 38.000 -0.056 0.000 1.097 406 I HN -0.052 nan 8.210 nan 0.000 0.455 407 V N 1.920 121.798 119.914 -0.060 0.000 2.295 407 V HA -0.278 3.843 4.120 0.001 0.000 0.246 407 V C 2.727 178.796 176.094 -0.042 0.000 1.049 407 V CA 2.501 64.770 62.300 -0.052 0.000 1.024 407 V CB -0.521 31.265 31.823 -0.062 0.000 0.648 407 V HN 0.553 nan 8.190 nan 0.000 0.447 408 E N -0.014 120.160 120.200 -0.044 0.000 2.047 408 E HA -0.246 4.105 4.350 0.001 0.000 0.191 408 E C 2.122 178.704 176.600 -0.030 0.000 0.987 408 E CA 1.374 57.752 56.400 -0.036 0.000 0.799 408 E CB -0.137 29.541 29.700 -0.038 0.000 0.752 408 E HN 0.666 nan 8.360 nan 0.000 0.449 409 E N -0.170 120.010 120.200 -0.032 0.000 2.331 409 E HA -0.152 4.199 4.350 0.001 0.000 0.199 409 E C 1.023 177.610 176.600 -0.022 0.000 1.008 409 E CA 0.828 57.212 56.400 -0.027 0.000 0.843 409 E CB 0.174 29.857 29.700 -0.029 0.000 0.761 409 E HN 0.125 nan 8.360 nan 0.000 0.507 410 K N -0.744 119.642 120.400 -0.023 0.000 2.533 410 K HA 0.185 4.505 4.320 0.001 0.000 0.202 410 K C -0.108 176.481 176.600 -0.017 0.000 1.096 410 K CA 0.320 56.597 56.287 -0.018 0.000 1.056 410 K CB 1.873 34.363 32.500 -0.017 0.000 0.890 410 K HN 0.139 nan 8.250 nan 0.000 0.552 411 G N 2.838 111.626 108.800 -0.020 0.000 2.778 411 G HA2 -0.202 3.758 3.960 0.001 0.000 0.686 411 G HA3 -0.202 3.758 3.960 0.001 0.000 0.686 411 G C -0.142 174.746 174.900 -0.019 0.000 1.309 411 G CA -0.463 44.626 45.100 -0.018 0.000 0.904 411 G HN 0.103 nan 8.290 nan 0.000 0.593 412 L N 0.000 121.211 121.223 -0.019 0.000 2.949 412 L HA 0.000 4.341 4.340 0.001 0.000 0.249 412 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 412 L CB 0.000 42.044 42.059 -0.025 0.000 0.961 412 L HN 0.000 nan 8.230 nan 0.000 0.502