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 1qtq_1_A DATA FIRST_RESID 8 DATA SEQUENCE TNFIRQIIDE DLASGKHTTV HTRFPPEPNG YLHIGHAKSI CLNFGIAQDY DATA SEQUENCE KGQCNLRFDD TNPVKEDIEY VESIKNDVEW LGFHWSGNVR YSSDYFDQLH DATA SEQUENCE AYAIELINKG LAYVDELTPE QIREYRGTLT QPGKNSPYRD RSVEENLALF DATA SEQUENCE EKMRAGGFEE GKACLRAKID MASPFIVMRD PVLYRIKFAE HHQTGNKWCI DATA SEQUENCE YPMYDFTHCI SDALEGITHS LCTLEFQDNR RLYDWVLDNI TIPVHPRQYE DATA SEQUENCE FSRLNLEYTV MSKRKLNLLV TDKHVEGWDD PRMPTISGLR RRGYTAASIR DATA SEQUENCE EFCKRIGVTK QDNTIEMASL ESCIREDLNE NAPRAMAVID PVKLVIENYQ DATA SEQUENCE GEGEMVTMPN HPNKPEMGSR QVPFSGEIWI DRADFREEAN KQYKRLVLGK DATA SEQUENCE EVRLRNAYVI KAERVEKDAE GNITTIFCTY DADTLXXXXX XXXXXXGVIH DATA SEQUENCE WVSAAHALPV EIRLYDRLFS VPNPGAADDF LSVINPESLV IKQGFAEPSL DATA SEQUENCE KDAVAGKAFQ FEREGYFCLD SRHSTAEKPV FNRTVGLRDT 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.703 174.700 0.005 0.000 1.109 8 T CA 0.000 62.097 62.100 -0.004 0.000 1.349 8 T CB 0.000 68.869 68.868 0.002 0.000 0.612 9 N N 1.226 119.923 118.700 -0.005 0.000 2.902 9 N HA 0.548 5.288 4.740 -0.001 0.000 0.268 9 N C 0.790 176.324 175.510 0.039 0.000 1.450 9 N CA -0.789 52.285 53.050 0.041 0.000 0.819 9 N CB 0.067 38.561 38.487 0.011 0.000 1.540 9 N HN 0.486 nan 8.380 nan 0.000 0.545 10 F N -0.588 119.331 119.950 -0.052 0.000 2.171 10 F HA 0.206 4.733 4.527 -0.001 0.000 0.300 10 F C 1.406 177.129 175.800 -0.128 0.000 1.090 10 F CA 0.777 58.737 58.000 -0.066 0.000 1.293 10 F CB -0.675 38.305 39.000 -0.034 0.000 1.013 10 F HN 0.385 nan 8.300 nan 0.000 0.486 11 I N 0.555 120.516 120.570 -1.014 0.000 2.315 11 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 11 I C 2.622 178.400 176.117 -0.565 0.000 1.117 11 I CA 1.254 62.010 61.300 -0.908 0.000 1.404 11 I CB -0.488 36.975 38.000 -0.894 0.000 1.071 11 I HN 0.110 nan 8.210 nan 0.000 0.419 12 R N 0.370 120.650 120.500 -0.367 0.000 2.115 12 R HA -0.137 4.203 4.340 -0.001 0.000 0.230 12 R C 2.270 178.475 176.300 -0.158 0.000 1.111 12 R CA 1.016 56.986 56.100 -0.217 0.000 0.976 12 R CB -0.174 30.104 30.300 -0.038 0.000 0.870 12 R HN 0.491 nan 8.270 nan 0.000 0.445 13 Q N 0.287 120.005 119.800 -0.138 0.000 2.119 13 Q HA -0.100 4.239 4.340 -0.001 0.000 0.201 13 Q C 2.087 178.014 176.000 -0.121 0.000 0.972 13 Q CA 1.167 56.924 55.803 -0.077 0.000 0.847 13 Q CB -0.006 28.718 28.738 -0.024 0.000 0.903 13 Q HN 0.382 nan 8.270 nan 0.000 0.433 14 I N 0.454 120.886 120.570 -0.229 0.000 2.252 14 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 14 I C 2.179 178.140 176.117 -0.260 0.000 1.102 14 I CA 1.040 62.181 61.300 -0.265 0.000 1.385 14 I CB -0.242 37.449 38.000 -0.515 0.000 1.064 14 I HN 0.197 nan 8.210 nan 0.000 0.414 15 I N 0.745 121.059 120.570 -0.426 0.000 2.163 15 I HA -0.325 3.845 4.170 -0.001 0.000 0.243 15 I C 2.164 178.171 176.117 -0.184 0.000 1.085 15 I CA 1.477 62.497 61.300 -0.467 0.000 1.347 15 I CB -0.536 36.989 38.000 -0.791 0.000 1.044 15 I HN 0.264 nan 8.210 nan 0.000 0.408 16 D N 0.775 121.115 120.400 -0.099 0.000 2.123 16 D HA -0.194 4.445 4.640 -0.001 0.000 0.196 16 D C 2.079 178.393 176.300 0.023 0.000 0.992 16 D CA 1.376 55.396 54.000 0.033 0.000 0.833 16 D CB -0.263 40.574 40.800 0.061 0.000 0.954 16 D HN 0.446 nan 8.370 nan 0.000 0.455 17 E N 0.433 120.631 120.200 -0.004 0.000 2.110 17 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 17 E C 1.583 178.201 176.600 0.030 0.000 0.988 17 E CA 0.881 57.288 56.400 0.010 0.000 0.804 17 E CB 0.086 29.786 29.700 -0.001 0.000 0.745 17 E HN 0.206 nan 8.360 nan 0.000 0.458 18 D N 0.238 120.668 120.400 0.051 0.000 2.117 18 D HA -0.112 4.527 4.640 -0.001 0.000 0.198 18 D C 1.795 178.152 176.300 0.094 0.000 0.982 18 D CA 0.632 54.694 54.000 0.103 0.000 0.828 18 D CB -0.088 40.880 40.800 0.281 0.000 0.967 18 D HN 0.033 nan 8.370 nan 0.000 0.464 19 L N 0.910 122.193 121.223 0.099 0.000 2.046 19 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 19 L C 2.328 179.237 176.870 0.065 0.000 1.077 19 L CA 1.313 56.211 54.840 0.098 0.000 0.747 19 L CB -1.123 41.001 42.059 0.108 0.000 0.896 19 L HN -0.052 nan 8.230 nan 0.000 0.432 20 A N -0.741 122.110 122.820 0.051 0.000 1.845 20 A HA -0.219 4.101 4.320 -0.001 0.000 0.215 20 A C 2.428 180.026 177.584 0.024 0.000 1.195 20 A CA 2.146 54.204 52.037 0.035 0.000 0.616 20 A CB -1.074 17.943 19.000 0.029 0.000 0.832 20 A HN 0.532 nan 8.150 nan 0.000 0.443 21 S N -1.420 114.291 115.700 0.019 0.000 2.500 21 S HA 0.265 4.735 4.470 -0.001 0.000 0.239 21 S C 1.491 176.088 174.600 -0.005 0.000 0.989 21 S CA 1.280 59.483 58.200 0.005 0.000 0.951 21 S CB -0.696 62.504 63.200 -0.001 0.000 0.759 21 S HN 2.095 nan 8.310 nan 0.000 0.523 22 G N 1.519 110.321 108.800 0.003 0.000 2.136 22 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.242 22 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.242 22 G C 0.573 175.444 174.900 -0.048 0.000 0.989 22 G CA 0.515 45.612 45.100 -0.005 0.000 0.682 22 G HN 0.594 nan 8.290 nan 0.000 0.522 23 K N -0.567 119.778 120.400 -0.092 0.000 2.155 23 K HA -0.015 4.305 4.320 -0.001 0.000 0.203 23 K C 0.524 176.859 176.600 -0.442 0.000 1.052 23 K CA 0.897 57.029 56.287 -0.258 0.000 0.948 23 K CB -0.012 32.319 32.500 -0.282 0.000 0.728 23 K HN 0.564 nan 8.250 nan 0.000 0.448 24 H N -1.596 117.484 119.070 0.017 0.000 2.895 24 H HA 0.115 4.671 4.556 -0.001 0.000 0.373 24 H C 0.135 175.478 175.328 0.026 0.000 1.174 24 H CA -0.095 55.961 56.048 0.013 0.000 1.144 24 H CB 2.241 32.014 29.762 0.017 0.000 1.793 24 H HN 0.073 nan 8.280 nan 0.000 0.551 25 T N -2.313 112.342 114.554 0.169 0.000 2.975 25 T HA 0.147 4.496 4.350 -0.001 0.000 0.257 25 T C 0.626 175.386 174.700 0.100 0.000 1.003 25 T CA 0.271 62.435 62.100 0.106 0.000 0.932 25 T CB 0.286 69.198 68.868 0.073 0.000 1.087 25 T HN 0.652 nan 8.240 nan 0.000 0.512 26 T N 0.087 114.703 114.554 0.103 0.000 2.864 26 T HA 0.707 5.056 4.350 -0.001 0.000 0.299 26 T C -0.900 173.812 174.700 0.020 0.000 1.166 26 T CA -0.558 61.583 62.100 0.068 0.000 1.007 26 T CB 1.908 70.812 68.868 0.059 0.000 1.219 26 T HN 0.608 nan 8.240 nan 0.000 0.506 27 V N -0.464 119.453 119.914 0.006 0.000 2.555 27 V HA 0.773 4.893 4.120 -0.001 0.000 0.302 27 V C -1.099 174.994 176.094 -0.002 0.000 1.038 27 V CA -0.580 61.700 62.300 -0.032 0.000 0.887 27 V CB 1.490 33.256 31.823 -0.095 0.000 0.991 27 V HN 1.180 nan 8.190 nan 0.000 0.434 28 H N 3.704 122.715 119.070 -0.098 0.000 3.013 28 H HA 0.630 5.186 4.556 -0.000 0.000 0.326 28 H C -0.261 175.013 175.328 -0.090 0.000 0.973 28 H CA 0.496 56.493 56.048 -0.084 0.000 1.369 28 H CB 1.805 31.512 29.762 -0.091 0.000 1.598 28 H HN 1.147 nan 8.280 nan 0.000 0.518 29 T N 1.904 116.515 114.554 0.095 0.000 2.844 29 T HA 0.758 5.108 4.350 -0.001 0.000 0.274 29 T C 0.092 174.790 174.700 -0.003 0.000 0.991 29 T CA -1.015 61.099 62.100 0.023 0.000 0.983 29 T CB 2.532 71.357 68.868 -0.072 0.000 1.310 29 T HN 0.643 nan 8.240 nan 0.000 0.596 30 R N -0.186 120.270 120.500 -0.073 0.000 2.664 30 R HA 0.458 4.797 4.340 -0.001 0.000 0.266 30 R C -2.492 173.773 176.300 -0.059 0.000 1.046 30 R CA -0.904 55.130 56.100 -0.110 0.000 0.885 30 R CB 0.871 31.130 30.300 -0.068 0.000 1.254 30 R HN 0.704 nan 8.270 nan 0.000 0.465 31 F N 4.727 124.524 119.950 -0.256 0.000 2.366 31 F HA 0.548 5.075 4.527 -0.000 0.000 0.366 31 F C -2.293 173.411 175.800 -0.159 0.000 1.096 31 F CA -2.672 55.237 58.000 -0.151 0.000 1.060 31 F CB 2.091 41.051 39.000 -0.066 0.000 1.282 31 F HN 0.347 nan 8.300 nan 0.000 0.450 32 P HA 0.282 nan 4.420 nan 0.000 0.202 32 P C -2.960 174.035 177.300 -0.509 0.000 1.869 32 P CA -1.492 61.353 63.100 -0.425 0.000 1.017 32 P CB 0.390 32.067 31.700 -0.039 0.000 1.848 33 P HA 0.188 nan 4.420 nan 0.000 0.276 33 P C -0.275 176.888 177.300 -0.229 0.000 1.244 33 P CA -0.114 62.633 63.100 -0.588 0.000 0.801 33 P CB 1.580 32.822 31.700 -0.762 0.000 1.006 34 E N 2.430 122.559 120.200 -0.118 0.000 2.197 34 E HA 0.210 4.559 4.350 -0.001 0.000 0.281 34 E C -1.896 174.693 176.600 -0.018 0.000 0.995 34 E CA -2.688 53.717 56.400 0.008 0.000 0.808 34 E CB 1.050 30.760 29.700 0.016 0.000 1.093 34 E HN 0.266 nan 8.360 nan 0.000 0.394 35 P HA 0.046 nan 4.420 nan 0.000 0.226 35 P C -0.619 176.607 177.300 -0.123 0.000 1.783 35 P CA 0.042 63.119 63.100 -0.039 0.000 0.980 35 P CB -0.338 31.299 31.700 -0.106 0.000 1.967 36 N N 0.485 118.995 118.700 -0.315 0.000 2.171 36 N HA 0.195 4.935 4.740 -0.001 0.000 0.212 36 N C 0.453 175.364 175.510 -0.999 0.000 1.184 36 N CA -0.284 52.521 53.050 -0.407 0.000 0.888 36 N CB 0.977 39.380 38.487 -0.140 0.000 1.038 36 N HN 0.235 nan 8.380 nan 0.000 0.517 37 G N -0.661 107.319 108.800 -1.368 0.000 2.430 37 G HA2 0.370 4.330 3.960 -0.001 0.000 0.300 37 G HA3 0.370 4.330 3.960 -0.001 0.000 0.300 37 G C -1.992 172.314 174.900 -0.989 0.000 1.330 37 G CA -0.739 43.505 45.100 -1.428 0.000 0.813 37 G HN -0.046 nan 8.290 nan 0.000 0.487 38 Y N -0.809 118.621 120.300 -1.450 0.000 2.295 38 Y HA 0.652 5.201 4.550 -0.001 0.000 0.331 38 Y C 0.796 176.524 175.900 -0.287 0.000 1.311 38 Y CA -0.810 56.883 58.100 -0.680 0.000 1.430 38 Y CB 0.732 38.870 38.460 -0.535 0.000 1.339 38 Y HN 0.309 nan 8.280 nan 0.000 0.552 39 L N 1.725 122.965 121.223 0.028 0.000 2.375 39 L HA 0.247 4.587 4.340 -0.001 0.000 0.271 39 L C -0.093 176.961 176.870 0.307 0.000 1.107 39 L CA -0.313 54.581 54.840 0.089 0.000 0.806 39 L CB 0.306 42.409 42.059 0.073 0.000 1.146 39 L HN 0.752 nan 8.230 nan 0.000 0.447 40 H N -0.154 119.244 119.070 0.546 0.000 2.812 40 H HA 0.400 4.956 4.556 -0.001 0.000 0.355 40 H C 0.802 176.259 175.328 0.216 0.000 1.207 40 H CA -1.081 55.145 56.048 0.297 0.000 1.217 40 H CB 0.217 30.112 29.762 0.222 0.000 1.874 40 H HN 0.414 nan 8.280 nan 0.000 0.581 41 I N 0.705 121.494 120.570 0.366 0.000 2.502 41 I HA -0.141 4.028 4.170 -0.001 0.000 0.258 41 I C 2.031 178.347 176.117 0.332 0.000 1.172 41 I CA 2.153 63.619 61.300 0.276 0.000 1.430 41 I CB -0.798 37.296 38.000 0.156 0.000 1.086 41 I HN 0.896 nan 8.210 nan 0.000 0.440 42 G N -1.117 107.952 108.800 0.449 0.000 2.394 42 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.215 42 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.215 42 G C 1.435 176.499 174.900 0.273 0.000 1.165 42 G CA 0.981 46.275 45.100 0.323 0.000 0.784 42 G HN 0.563 nan 8.290 nan 0.000 0.535 43 H N 0.412 119.690 119.070 0.347 0.000 2.491 43 H HA 0.204 4.760 4.556 -0.001 0.000 0.290 43 H C 2.761 178.139 175.328 0.084 0.000 1.050 43 H CA 0.686 56.863 56.048 0.215 0.000 1.309 43 H CB 0.199 30.035 29.762 0.123 0.000 1.392 43 H HN 0.428 nan 8.280 nan 0.000 0.554 44 A N 0.995 123.942 122.820 0.211 0.000 2.014 44 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 44 A C 2.153 179.781 177.584 0.073 0.000 1.163 44 A CA 1.266 53.369 52.037 0.111 0.000 0.652 44 A CB -0.281 18.835 19.000 0.194 0.000 0.808 44 A HN 0.342 nan 8.150 nan 0.000 0.449 45 K N -0.177 120.303 120.400 0.132 0.000 2.025 45 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 45 K C 2.325 178.940 176.600 0.024 0.000 1.049 45 K CA 1.596 57.934 56.287 0.084 0.000 0.933 45 K CB -0.237 32.357 32.500 0.157 0.000 0.714 45 K HN 0.407 nan 8.250 nan 0.000 0.438 46 S N 0.645 116.432 115.700 0.146 0.000 2.368 46 S HA -0.105 4.365 4.470 -0.001 0.000 0.225 46 S C 1.970 176.537 174.600 -0.054 0.000 1.030 46 S CA 1.132 59.443 58.200 0.184 0.000 0.999 46 S CB -0.283 63.226 63.200 0.515 0.000 0.844 46 S HN 0.362 nan 8.310 nan 0.000 0.459 47 I N 1.021 121.426 120.570 -0.276 0.000 2.179 47 I HA -0.218 3.952 4.170 -0.001 0.000 0.242 47 I C 2.458 178.311 176.117 -0.440 0.000 1.088 47 I CA 1.154 62.185 61.300 -0.448 0.000 1.357 47 I CB -0.558 37.103 38.000 -0.565 0.000 1.051 47 I HN 0.431 nan 8.210 nan 0.000 0.409 48 C N 0.185 119.284 119.300 -0.336 0.000 2.446 48 C HA -0.084 4.376 4.460 -0.001 0.000 0.279 48 C C 2.657 177.518 174.990 -0.216 0.000 1.366 48 C CA 0.173 59.019 59.018 -0.286 0.000 1.763 48 C CB -0.875 26.850 27.740 -0.026 0.000 1.929 48 C HN 0.496 nan 8.230 nan 0.000 0.509 49 L N 1.290 122.383 121.223 -0.217 0.000 2.007 49 L HA -0.089 4.251 4.340 -0.001 0.000 0.205 49 L C 2.311 179.056 176.870 -0.208 0.000 1.073 49 L CA 1.825 56.517 54.840 -0.246 0.000 0.744 49 L CB -0.720 41.094 42.059 -0.408 0.000 0.898 49 L HN 0.395 nan 8.230 nan 0.000 0.435 50 N N -0.030 118.552 118.700 -0.196 0.000 2.062 50 N HA -0.190 4.550 4.740 -0.001 0.000 0.191 50 N C 1.794 177.146 175.510 -0.262 0.000 1.042 50 N CA 1.645 54.566 53.050 -0.214 0.000 0.845 50 N CB -0.551 37.814 38.487 -0.203 0.000 1.024 50 N HN 0.252 nan 8.380 nan 0.000 0.424 51 F N 1.235 121.000 119.950 -0.310 0.000 2.186 51 F HA 0.023 4.549 4.527 -0.001 0.000 0.299 51 F C 2.601 178.303 175.800 -0.163 0.000 1.090 51 F CA 1.012 58.842 58.000 -0.284 0.000 1.307 51 F CB -0.878 37.749 39.000 -0.620 0.000 1.019 51 F HN 0.084 nan 8.300 nan 0.000 0.489 52 G N 0.536 109.310 108.800 -0.043 0.000 2.446 52 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 52 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 52 G C 1.791 176.733 174.900 0.070 0.000 1.168 52 G CA 1.088 46.229 45.100 0.068 0.000 0.771 52 G HN 0.328 nan 8.290 nan 0.000 0.551 53 I N 1.333 121.915 120.570 0.020 0.000 2.127 53 I HA -0.224 3.946 4.170 -0.001 0.000 0.241 53 I C 3.361 179.573 176.117 0.160 0.000 1.075 53 I CA 1.054 62.408 61.300 0.090 0.000 1.334 53 I CB -0.363 37.605 38.000 -0.052 0.000 1.040 53 I HN 0.273 nan 8.210 nan 0.000 0.405 54 A N 1.186 124.037 122.820 0.053 0.000 1.873 54 A HA -0.316 4.004 4.320 -0.001 0.000 0.218 54 A C 2.258 179.902 177.584 0.099 0.000 1.193 54 A CA 2.363 54.429 52.037 0.048 0.000 0.629 54 A CB -1.013 17.971 19.000 -0.027 0.000 0.826 54 A HN 0.686 nan 8.150 nan 0.000 0.447 55 Q N -1.369 118.503 119.800 0.120 0.000 2.224 55 Q HA -0.160 4.179 4.340 -0.001 0.000 0.203 55 Q C 0.946 176.982 176.000 0.061 0.000 0.970 55 Q CA 1.459 57.325 55.803 0.104 0.000 0.865 55 Q CB -0.368 28.456 28.738 0.143 0.000 0.922 55 Q HN 0.525 nan 8.270 nan 0.000 0.445 56 D N 0.131 120.566 120.400 0.058 0.000 2.183 56 D HA -0.086 4.554 4.640 -0.001 0.000 0.203 56 D C 0.589 176.782 176.300 -0.179 0.000 0.969 56 D CA 0.948 54.909 54.000 -0.065 0.000 0.842 56 D CB 0.064 40.804 40.800 -0.101 0.000 0.957 56 D HN 0.393 nan 8.370 nan 0.000 0.484 57 Y N 0.543 120.831 120.300 -0.020 0.000 2.524 57 Y HA 0.123 4.673 4.550 0.000 0.000 0.266 57 Y C 0.261 176.153 175.900 -0.014 0.000 1.180 57 Y CA -0.376 57.712 58.100 -0.021 0.000 1.244 57 Y CB 0.343 38.786 38.460 -0.029 0.000 1.125 57 Y HN -0.317 nan 8.280 nan 0.000 0.524 58 K N 0.308 120.759 120.400 0.085 0.000 3.148 58 K HA -0.169 4.151 4.320 -0.001 0.000 0.267 58 K C 0.194 176.822 176.600 0.048 0.000 0.996 58 K CA 0.835 57.152 56.287 0.050 0.000 0.737 58 K CB -1.678 30.840 32.500 0.031 0.000 1.308 58 K HN 0.597 nan 8.250 nan 0.000 0.470 59 G N -0.353 108.472 108.800 0.042 0.000 3.175 59 G HA2 0.648 4.608 3.960 -0.001 0.000 0.255 59 G HA3 0.648 4.608 3.960 -0.001 0.000 0.255 59 G C -0.766 174.078 174.900 -0.094 0.000 1.352 59 G CA -0.554 44.533 45.100 -0.022 0.000 1.037 59 G HN 0.045 nan 8.290 nan 0.000 0.556 60 Q N -1.400 118.239 119.800 -0.268 0.000 2.297 60 Q HA 0.563 4.902 4.340 -0.001 0.000 0.268 60 Q C -1.173 174.582 176.000 -0.408 0.000 1.045 60 Q CA -0.638 54.933 55.803 -0.387 0.000 0.861 60 Q CB 2.021 30.354 28.738 -0.675 0.000 1.344 60 Q HN 0.537 nan 8.270 nan 0.000 0.452 61 C N 2.489 121.655 119.300 -0.223 0.000 2.607 61 C HA 0.500 4.959 4.460 -0.001 0.000 0.350 61 C C -1.176 173.748 174.990 -0.110 0.000 1.101 61 C CA -0.608 58.267 59.018 -0.238 0.000 1.282 61 C CB 0.340 27.780 27.740 -0.499 0.000 1.825 61 C HN 0.755 nan 8.230 nan 0.000 0.460 62 N N 3.072 121.758 118.700 -0.022 0.000 2.493 62 N HA 0.530 5.270 4.740 -0.001 0.000 0.275 62 N C -0.764 174.719 175.510 -0.046 0.000 1.186 62 N CA -0.492 52.593 53.050 0.059 0.000 0.978 62 N CB 1.287 39.818 38.487 0.075 0.000 1.184 62 N HN 0.688 nan 8.380 nan 0.000 0.487 63 L N 0.985 122.165 121.223 -0.072 0.000 2.313 63 L HA 0.387 4.726 4.340 -0.001 0.000 0.273 63 L C -0.167 176.401 176.870 -0.503 0.000 1.028 63 L CA -0.364 54.303 54.840 -0.288 0.000 0.871 63 L CB -0.047 41.654 42.059 -0.596 0.000 1.242 63 L HN 0.460 nan 8.230 nan 0.000 0.434 64 R N 3.827 124.056 120.500 -0.453 0.000 2.393 64 R HA 0.471 4.810 4.340 -0.001 0.000 0.310 64 R C -1.387 174.588 176.300 -0.542 0.000 0.968 64 R CA -0.545 55.303 56.100 -0.420 0.000 0.867 64 R CB 0.786 30.957 30.300 -0.215 0.000 1.124 64 R HN 0.443 nan 8.270 nan 0.000 0.450 65 F N 2.861 122.579 119.950 -0.386 0.000 2.390 65 F HA 0.142 4.669 4.527 -0.001 0.000 0.361 65 F C 0.589 176.337 175.800 -0.087 0.000 1.124 65 F CA -0.357 57.484 58.000 -0.265 0.000 1.149 65 F CB 1.202 40.023 39.000 -0.299 0.000 1.160 65 F HN 0.413 nan 8.300 nan 0.000 0.501 66 D N 3.870 124.333 120.400 0.105 0.000 2.608 66 D HA -0.003 4.636 4.640 -0.001 0.000 0.224 66 D C -0.209 176.226 176.300 0.224 0.000 1.123 66 D CA 0.063 54.155 54.000 0.154 0.000 1.030 66 D CB -0.127 40.778 40.800 0.175 0.000 1.093 66 D HN 0.434 nan 8.370 nan 0.000 0.497 67 D N 0.437 121.004 120.400 0.278 0.000 2.741 67 D HA -0.024 4.616 4.640 -0.001 0.000 0.233 67 D C 1.104 177.663 176.300 0.433 0.000 1.160 67 D CA -0.403 53.808 54.000 0.351 0.000 1.003 67 D CB -0.030 41.038 40.800 0.447 0.000 1.064 67 D HN 0.084 nan 8.370 nan 0.000 0.503 68 T N -2.896 111.864 114.554 0.344 0.000 3.060 68 T HA 0.047 4.396 4.350 -0.001 0.000 0.249 68 T C 0.625 175.439 174.700 0.189 0.000 1.079 68 T CA -0.410 61.907 62.100 0.362 0.000 1.013 68 T CB -0.066 68.966 68.868 0.273 0.000 0.975 68 T HN 0.093 nan 8.240 nan 0.000 0.518 69 N N 2.404 121.167 118.700 0.106 0.000 2.776 69 N HA 0.316 5.056 4.740 -0.001 0.000 0.245 69 N C -1.949 173.507 175.510 -0.091 0.000 1.121 69 N CA -2.463 50.574 53.050 -0.022 0.000 0.852 69 N CB 2.013 40.517 38.487 0.028 0.000 1.142 69 N HN -0.009 nan 8.380 nan 0.000 0.514 70 P HA -0.198 nan 4.420 nan 0.000 0.215 70 P C 1.388 178.620 177.300 -0.115 0.000 1.157 70 P CA 1.445 64.384 63.100 -0.268 0.000 0.874 70 P CB 0.102 31.547 31.700 -0.424 0.000 0.790 71 V N -2.676 117.183 119.914 -0.092 0.000 2.828 71 V HA -0.130 3.990 4.120 -0.001 0.000 0.260 71 V C 2.021 178.123 176.094 0.013 0.000 1.101 71 V CA 1.695 63.985 62.300 -0.017 0.000 1.123 71 V CB -1.343 30.482 31.823 0.004 0.000 0.704 71 V HN -0.011 nan 8.190 nan 0.000 0.493 72 K N 0.266 120.671 120.400 0.009 0.000 2.348 72 K HA 0.302 4.622 4.320 -0.001 0.000 0.194 72 K C 0.716 177.348 176.600 0.053 0.000 1.052 72 K CA 0.259 56.569 56.287 0.039 0.000 1.004 72 K CB 0.416 32.934 32.500 0.031 0.000 0.873 72 K HN 0.675 nan 8.250 nan 0.000 0.523 73 E N 0.811 121.019 120.200 0.014 0.000 2.280 73 E HA 0.264 4.613 4.350 -0.001 0.000 0.264 73 E C -1.053 175.480 176.600 -0.112 0.000 1.064 73 E CA -0.394 55.987 56.400 -0.032 0.000 0.900 73 E CB 1.068 30.721 29.700 -0.078 0.000 1.123 73 E HN -0.080 nan 8.360 nan 0.000 0.418 74 D N -0.158 120.112 120.400 -0.217 0.000 2.717 74 D HA 0.125 4.764 4.640 -0.001 0.000 0.223 74 D C -0.253 175.755 176.300 -0.487 0.000 1.240 74 D CA -0.569 53.226 54.000 -0.341 0.000 0.801 74 D CB 1.169 41.785 40.800 -0.305 0.000 1.556 74 D HN 0.314 nan 8.370 nan 0.000 0.462 75 I N 2.170 122.506 120.570 -0.389 0.000 2.454 75 I HA -0.087 4.082 4.170 -0.001 0.000 0.254 75 I C 1.811 177.752 176.117 -0.293 0.000 1.156 75 I CA 1.526 62.653 61.300 -0.289 0.000 1.433 75 I CB -0.229 37.689 38.000 -0.138 0.000 1.082 75 I HN 0.655 nan 8.210 nan 0.000 0.432 76 E N -0.753 119.227 120.200 -0.365 0.000 2.204 76 E HA -0.265 4.085 4.350 -0.001 0.000 0.195 76 E C 1.902 178.254 176.600 -0.412 0.000 0.990 76 E CA 1.268 57.444 56.400 -0.372 0.000 0.821 76 E CB -0.147 29.292 29.700 -0.434 0.000 0.750 76 E HN 0.577 nan 8.360 nan 0.000 0.477 77 Y N -0.173 119.936 120.300 -0.319 0.000 2.286 77 Y HA -0.121 4.428 4.550 -0.001 0.000 0.293 77 Y C 2.508 178.166 175.900 -0.403 0.000 1.124 77 Y CA 0.949 58.800 58.100 -0.416 0.000 1.178 77 Y CB -0.907 37.351 38.460 -0.337 0.000 1.010 77 Y HN 0.096 nan 8.280 nan 0.000 0.536 78 V N -0.751 118.972 119.914 -0.317 0.000 2.343 78 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 78 V C 1.731 177.667 176.094 -0.263 0.000 1.051 78 V CA 2.206 64.135 62.300 -0.618 0.000 1.036 78 V CB -0.655 30.647 31.823 -0.869 0.000 0.654 78 V HN 0.355 nan 8.190 nan 0.000 0.451 79 E N 1.823 121.902 120.200 -0.200 0.000 2.077 79 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 79 E C 2.445 178.982 176.600 -0.106 0.000 0.989 79 E CA 1.845 58.182 56.400 -0.104 0.000 0.800 79 E CB -0.323 29.314 29.700 -0.104 0.000 0.746 79 E HN 0.898 nan 8.360 nan 0.000 0.452 80 S N 0.614 116.167 115.700 -0.245 0.000 2.406 80 S HA -0.078 4.391 4.470 -0.001 0.000 0.228 80 S C 2.055 176.537 174.600 -0.197 0.000 1.020 80 S CA 0.543 58.535 58.200 -0.347 0.000 0.965 80 S CB -0.338 62.285 63.200 -0.962 0.000 0.798 80 S HN 0.156 nan 8.310 nan 0.000 0.488 81 I N 1.498 122.009 120.570 -0.099 0.000 2.252 81 I HA -0.116 4.053 4.170 -0.001 0.000 0.245 81 I C 2.760 178.937 176.117 0.101 0.000 1.102 81 I CA 1.206 62.537 61.300 0.052 0.000 1.385 81 I CB -0.247 37.906 38.000 0.255 0.000 1.064 81 I HN 0.248 nan 8.210 nan 0.000 0.414 82 K N 0.555 121.041 120.400 0.144 0.000 2.057 82 K HA -0.213 4.107 4.320 -0.001 0.000 0.207 82 K C 1.971 178.680 176.600 0.181 0.000 1.049 82 K CA 1.644 57.996 56.287 0.108 0.000 0.931 82 K CB -0.217 32.370 32.500 0.145 0.000 0.714 82 K HN 0.171 nan 8.250 nan 0.000 0.440 83 N N 1.509 120.284 118.700 0.125 0.000 2.084 83 N HA -0.174 4.566 4.740 -0.001 0.000 0.190 83 N C 1.235 176.851 175.510 0.178 0.000 1.030 83 N CA 1.708 54.838 53.050 0.135 0.000 0.849 83 N CB -0.150 38.370 38.487 0.054 0.000 1.012 83 N HN 0.102 nan 8.380 nan 0.000 0.423 84 D N -0.354 120.126 120.400 0.134 0.000 2.117 84 D HA -0.103 4.537 4.640 -0.001 0.000 0.197 84 D C 2.029 178.469 176.300 0.232 0.000 0.987 84 D CA 0.885 55.004 54.000 0.198 0.000 0.829 84 D CB -0.271 40.605 40.800 0.126 0.000 0.961 84 D HN 0.134 nan 8.370 nan 0.000 0.460 85 V N 1.373 121.380 119.914 0.154 0.000 2.295 85 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 85 V C 2.359 178.509 176.094 0.093 0.000 1.049 85 V CA 1.622 63.976 62.300 0.090 0.000 1.024 85 V CB -0.443 31.428 31.823 0.080 0.000 0.648 85 V HN 0.177 nan 8.190 nan 0.000 0.447 86 E N -1.286 119.025 120.200 0.186 0.000 2.072 86 E HA -0.271 4.079 4.350 -0.001 0.000 0.191 86 E C 1.948 178.537 176.600 -0.019 0.000 0.985 86 E CA 1.532 57.953 56.400 0.035 0.000 0.801 86 E CB -0.231 29.550 29.700 0.134 0.000 0.750 86 E HN 0.755 nan 8.360 nan 0.000 0.452 87 W N 1.388 122.661 121.300 -0.045 0.000 2.342 87 W HA -0.145 4.515 4.660 0.000 0.000 0.297 87 W C 1.606 178.065 176.519 -0.099 0.000 1.213 87 W CA 1.152 58.465 57.345 -0.053 0.000 1.251 87 W CB -0.142 29.313 29.460 -0.008 0.000 1.136 87 W HN -0.012 nan 8.180 nan 0.000 0.526 88 L N 0.481 121.614 121.223 -0.151 0.000 2.465 88 L HA 0.102 4.442 4.340 -0.001 0.000 0.224 88 L C 1.686 178.145 176.870 -0.685 0.000 1.145 88 L CA 1.047 55.681 54.840 -0.342 0.000 0.834 88 L CB -0.970 41.126 42.059 0.062 0.000 0.944 88 L HN 0.282 nan 8.230 nan 0.000 0.451 89 G N -0.288 108.119 108.800 -0.655 0.000 2.207 89 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 89 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 89 G C -0.367 173.887 174.900 -1.076 0.000 1.053 89 G CA -0.544 44.076 45.100 -0.800 0.000 0.764 89 G HN 0.128 nan 8.290 nan 0.000 0.495 90 F N 0.525 120.122 119.950 -0.587 0.000 2.565 90 F HA 0.638 5.165 4.527 -0.000 0.000 0.313 90 F C 0.384 175.711 175.800 -0.788 0.000 1.091 90 F CA -1.086 56.522 58.000 -0.654 0.000 0.915 90 F CB 1.696 40.094 39.000 -1.004 0.000 1.208 90 F HN 0.113 nan 8.300 nan 0.000 0.453 91 H N 0.869 119.930 119.070 -0.015 0.000 2.495 91 H HA 0.240 4.795 4.556 -0.001 0.000 0.348 91 H C -0.973 174.496 175.328 0.234 0.000 1.113 91 H CA -1.012 54.944 56.048 -0.153 0.000 1.195 91 H CB 1.491 31.113 29.762 -0.233 0.000 1.521 91 H HN 0.804 nan 8.280 nan 0.000 0.509 92 W N 1.203 122.744 121.300 0.403 0.000 2.253 92 W HA 0.473 5.133 4.660 -0.000 0.000 0.348 92 W C 0.266 176.916 176.519 0.218 0.000 1.229 92 W CA -1.054 56.532 57.345 0.403 0.000 1.335 92 W CB 0.375 30.032 29.460 0.328 0.000 1.165 92 W HN 0.332 nan 8.180 nan 0.000 0.631 93 S N 1.902 117.822 115.700 0.367 0.000 2.499 93 S HA 0.499 4.968 4.470 -0.001 0.000 0.275 93 S C 0.742 175.496 174.600 0.258 0.000 1.257 93 S CA 0.647 58.967 58.200 0.200 0.000 1.050 93 S CB -0.597 62.656 63.200 0.089 0.000 0.937 93 S HN 1.486 nan 8.310 nan 0.000 0.490 94 G N 5.746 114.655 108.800 0.182 0.000 2.575 94 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.267 94 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.267 94 G C -0.238 174.844 174.900 0.304 0.000 1.264 94 G CA -0.196 45.019 45.100 0.191 0.000 0.935 94 G HN 0.766 nan 8.290 nan 0.000 0.568 95 N N -0.733 118.126 118.700 0.266 0.000 2.381 95 N HA 0.370 5.109 4.740 -0.001 0.000 0.254 95 N C 0.548 176.236 175.510 0.297 0.000 1.264 95 N CA -0.225 53.011 53.050 0.310 0.000 0.942 95 N CB 0.889 39.501 38.487 0.207 0.000 1.190 95 N HN 0.535 nan 8.380 nan 0.000 0.495 96 V N 2.378 122.425 119.914 0.222 0.000 2.529 96 V HA 0.031 4.151 4.120 -0.001 0.000 0.292 96 V C 0.815 176.860 176.094 -0.082 0.000 1.028 96 V CA 0.024 62.267 62.300 -0.096 0.000 1.074 96 V CB -0.051 31.710 31.823 -0.102 0.000 0.958 96 V HN 0.416 nan 8.190 nan 0.000 0.481 97 R N 3.897 124.280 120.500 -0.195 0.000 2.532 97 R HA 0.543 4.883 4.340 -0.001 0.000 0.272 97 R C -1.232 174.872 176.300 -0.327 0.000 1.032 97 R CA -0.495 55.523 56.100 -0.136 0.000 1.089 97 R CB 0.925 31.202 30.300 -0.038 0.000 1.098 97 R HN 0.592 nan 8.270 nan 0.000 0.526 98 Y N -1.122 119.085 120.300 -0.155 0.000 2.457 98 Y HA 0.150 4.700 4.550 -0.001 0.000 0.343 98 Y C 1.276 176.967 175.900 -0.349 0.000 0.994 98 Y CA -0.413 57.593 58.100 -0.157 0.000 1.031 98 Y CB 2.435 40.781 38.460 -0.190 0.000 1.246 98 Y HN 0.550 nan 8.280 nan 0.000 0.449 99 S N 0.369 116.046 115.700 -0.037 0.000 2.399 99 S HA -0.185 4.285 4.470 -0.001 0.000 0.231 99 S C 1.861 176.205 174.600 -0.427 0.000 1.022 99 S CA 1.824 60.001 58.200 -0.039 0.000 0.983 99 S CB -0.164 63.097 63.200 0.102 0.000 0.803 99 S HN 0.778 nan 8.310 nan 0.000 0.480 100 S N 2.030 117.278 115.700 -0.754 0.000 2.400 100 S HA -0.147 4.322 4.470 -0.001 0.000 0.232 100 S C 1.304 175.292 174.600 -1.021 0.000 1.025 100 S CA 1.168 58.353 58.200 -1.693 0.000 0.993 100 S CB -0.513 61.955 63.200 -1.220 0.000 0.808 100 S HN 0.480 nan 8.310 nan 0.000 0.478 101 D N 0.624 120.601 120.400 -0.705 0.000 2.265 101 D HA -0.098 4.542 4.640 -0.001 0.000 0.208 101 D C 0.569 176.547 176.300 -0.537 0.000 0.977 101 D CA 1.052 54.676 54.000 -0.627 0.000 0.871 101 D CB -0.202 40.129 40.800 -0.782 0.000 0.925 101 D HN 0.568 nan 8.370 nan 0.000 0.485 102 Y N -1.206 119.020 120.300 -0.123 0.000 2.555 102 Y HA 0.177 4.726 4.550 -0.001 0.000 0.259 102 Y C 1.462 177.440 175.900 0.130 0.000 1.179 102 Y CA -0.834 57.263 58.100 -0.004 0.000 1.230 102 Y CB -0.306 38.136 38.460 -0.029 0.000 1.146 102 Y HN -0.196 nan 8.280 nan 0.000 0.526 103 F N 1.220 121.157 119.950 -0.022 0.000 2.095 103 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 103 F C 1.895 177.685 175.800 -0.016 0.000 1.104 103 F CA 1.181 59.060 58.000 -0.201 0.000 1.232 103 F CB -0.763 37.891 39.000 -0.577 0.000 0.987 103 F HN 0.221 nan 8.300 nan 0.000 0.475 104 D N -0.597 120.057 120.400 0.425 0.000 2.178 104 D HA -0.184 4.455 4.640 -0.001 0.000 0.201 104 D C 2.111 178.603 176.300 0.320 0.000 0.980 104 D CA 0.999 55.271 54.000 0.454 0.000 0.842 104 D CB -0.211 40.790 40.800 0.334 0.000 0.948 104 D HN 0.287 nan 8.370 nan 0.000 0.472 105 Q N 0.309 120.254 119.800 0.242 0.000 2.046 105 Q HA -0.095 4.244 4.340 -0.001 0.000 0.200 105 Q C 2.116 178.224 176.000 0.181 0.000 0.975 105 Q CA 0.700 56.580 55.803 0.128 0.000 0.836 105 Q CB -0.188 28.643 28.738 0.155 0.000 0.896 105 Q HN 0.111 nan 8.270 nan 0.000 0.428 106 L N -0.305 121.098 121.223 0.301 0.000 2.042 106 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 106 L C 2.249 179.502 176.870 0.638 0.000 1.076 106 L CA 2.072 57.147 54.840 0.392 0.000 0.749 106 L CB -1.361 40.895 42.059 0.328 0.000 0.893 106 L HN 0.427 nan 8.230 nan 0.000 0.432 107 H N -0.221 119.103 119.070 0.423 0.000 2.319 107 H HA -0.130 4.426 4.556 -0.001 0.000 0.299 107 H C 2.063 177.579 175.328 0.314 0.000 1.092 107 H CA 1.810 58.072 56.048 0.355 0.000 1.302 107 H CB 0.082 30.009 29.762 0.275 0.000 1.373 107 H HN 0.262 nan 8.280 nan 0.000 0.497 108 A N -0.326 122.571 122.820 0.127 0.000 1.902 108 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 108 A C 2.097 179.691 177.584 0.016 0.000 1.181 108 A CA 1.526 53.541 52.037 -0.037 0.000 0.623 108 A CB -1.057 17.878 19.000 -0.108 0.000 0.818 108 A HN 0.564 nan 8.150 nan 0.000 0.443 109 Y N -0.130 120.263 120.300 0.156 0.000 2.242 109 Y HA -0.022 4.527 4.550 -0.001 0.000 0.291 109 Y C 2.880 178.935 175.900 0.259 0.000 1.137 109 Y CA 0.302 58.509 58.100 0.178 0.000 1.181 109 Y CB -0.759 37.783 38.460 0.137 0.000 0.989 109 Y HN 0.336 nan 8.280 nan 0.000 0.527 110 A N 0.067 123.180 122.820 0.489 0.000 1.902 110 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 110 A C 2.294 179.861 177.584 -0.028 0.000 1.181 110 A CA 1.628 53.737 52.037 0.120 0.000 0.623 110 A CB -1.037 17.946 19.000 -0.029 0.000 0.818 110 A HN 0.441 nan 8.150 nan 0.000 0.443 111 I N -0.564 120.014 120.570 0.014 0.000 2.264 111 I HA -0.270 3.900 4.170 -0.001 0.000 0.248 111 I C 2.560 178.689 176.117 0.020 0.000 1.111 111 I CA 1.802 63.100 61.300 -0.003 0.000 1.382 111 I CB -0.289 37.684 38.000 -0.045 0.000 1.060 111 I HN 0.567 nan 8.210 nan 0.000 0.418 112 E N 1.400 121.639 120.200 0.065 0.000 2.051 112 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 112 E C 2.401 179.031 176.600 0.051 0.000 0.991 112 E CA 1.076 57.520 56.400 0.073 0.000 0.799 112 E CB 0.000 29.786 29.700 0.143 0.000 0.748 112 E HN 0.445 nan 8.360 nan 0.000 0.449 113 L N 0.742 122.000 121.223 0.059 0.000 2.042 113 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 113 L C 2.584 179.469 176.870 0.025 0.000 1.076 113 L CA 1.023 55.886 54.840 0.039 0.000 0.749 113 L CB -0.445 41.648 42.059 0.055 0.000 0.893 113 L HN 0.288 nan 8.230 nan 0.000 0.432 114 I N 0.065 120.627 120.570 -0.014 0.000 2.179 114 I HA -0.317 3.852 4.170 -0.001 0.000 0.242 114 I C 1.949 178.079 176.117 0.022 0.000 1.088 114 I CA 1.783 63.076 61.300 -0.011 0.000 1.357 114 I CB -0.477 37.494 38.000 -0.048 0.000 1.051 114 I HN 0.361 nan 8.210 nan 0.000 0.409 115 N N 0.422 119.135 118.700 0.021 0.000 2.364 115 N HA -0.197 4.542 4.740 -0.001 0.000 0.183 115 N C 1.624 177.149 175.510 0.025 0.000 1.022 115 N CA 0.665 53.730 53.050 0.024 0.000 0.883 115 N CB -0.007 38.492 38.487 0.021 0.000 0.965 115 N HN 0.260 nan 8.380 nan 0.000 0.438 116 K N 0.280 120.695 120.400 0.026 0.000 2.404 116 K HA 0.064 4.384 4.320 -0.001 0.000 0.194 116 K C 0.678 177.304 176.600 0.043 0.000 1.023 116 K CA 0.205 56.506 56.287 0.024 0.000 1.094 116 K CB 0.246 32.751 32.500 0.008 0.000 0.841 116 K HN 0.169 nan 8.250 nan 0.000 0.523 117 G N 1.250 110.081 108.800 0.052 0.000 2.168 117 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.257 117 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.257 117 G C 0.382 175.348 174.900 0.110 0.000 0.997 117 G CA 0.459 45.601 45.100 0.069 0.000 0.708 117 G HN 0.357 nan 8.290 nan 0.000 0.520 118 L N -0.353 120.950 121.223 0.133 0.000 2.741 118 L HA 0.618 4.957 4.340 -0.001 0.000 0.237 118 L C 1.038 178.059 176.870 0.251 0.000 1.178 118 L CA 0.545 55.528 54.840 0.238 0.000 0.973 118 L CB -0.012 42.210 42.059 0.273 0.000 1.255 118 L HN 0.585 nan 8.230 nan 0.000 0.498 119 A N -0.003 122.913 122.820 0.159 0.000 2.589 119 A HA 0.676 4.995 4.320 -0.001 0.000 0.296 119 A C -1.721 175.915 177.584 0.087 0.000 1.062 119 A CA -0.424 51.646 52.037 0.054 0.000 0.686 119 A CB 1.323 20.258 19.000 -0.108 0.000 1.282 119 A HN 0.185 nan 8.150 nan 0.000 0.404 120 Y N -1.046 119.193 120.300 -0.101 0.000 2.597 120 Y HA 0.728 5.278 4.550 -0.001 0.000 0.340 120 Y C -1.077 174.762 175.900 -0.103 0.000 1.097 120 Y CA -1.639 56.414 58.100 -0.078 0.000 1.037 120 Y CB 0.826 39.270 38.460 -0.026 0.000 1.305 120 Y HN 0.486 nan 8.280 nan 0.000 0.463 121 V N 2.741 122.616 119.914 -0.064 0.000 2.432 121 V HA 0.247 4.367 4.120 -0.001 0.000 0.271 121 V C -0.601 175.444 176.094 -0.081 0.000 1.046 121 V CA -0.056 62.158 62.300 -0.143 0.000 0.945 121 V CB 0.846 32.653 31.823 -0.027 0.000 0.992 121 V HN 0.761 nan 8.190 nan 0.000 0.471 122 D N 3.290 123.555 120.400 -0.223 0.000 2.192 122 D HA 0.323 4.962 4.640 -0.001 0.000 0.246 122 D C 0.644 176.747 176.300 -0.328 0.000 1.042 122 D CA -0.489 53.439 54.000 -0.120 0.000 0.847 122 D CB 1.903 42.661 40.800 -0.070 0.000 1.186 122 D HN 0.508 nan 8.370 nan 0.000 0.461 123 E N 2.140 121.973 120.200 -0.611 0.000 2.474 123 E HA 0.033 4.383 4.350 -0.001 0.000 0.195 123 E C 0.225 176.630 176.600 -0.325 0.000 1.039 123 E CA -0.336 55.636 56.400 -0.712 0.000 0.881 123 E CB 0.426 29.365 29.700 -1.269 0.000 0.970 123 E HN 0.306 nan 8.360 nan 0.000 0.486 124 L N 3.184 124.348 121.223 -0.099 0.000 2.584 124 L HA -0.042 4.298 4.340 -0.001 0.000 0.272 124 L C 1.160 177.997 176.870 -0.056 0.000 1.195 124 L CA 0.538 55.367 54.840 -0.020 0.000 0.920 124 L CB 0.009 42.017 42.059 -0.085 0.000 1.173 124 L HN 0.057 nan 8.230 nan 0.000 0.489 125 T N 2.505 117.046 114.554 -0.022 0.000 2.724 125 T HA 0.098 4.448 4.350 -0.001 0.000 0.324 125 T C -1.609 173.090 174.700 -0.003 0.000 1.071 125 T CA -1.018 61.074 62.100 -0.014 0.000 1.061 125 T CB 0.158 69.034 68.868 0.015 0.000 0.990 125 T HN 0.498 nan 8.240 nan 0.000 0.543 126 P HA -0.047 nan 4.420 nan 0.000 0.219 126 P C 1.167 178.484 177.300 0.028 0.000 1.146 126 P CA 0.993 64.101 63.100 0.013 0.000 0.808 126 P CB 0.063 31.774 31.700 0.019 0.000 0.779 127 E N -0.708 119.513 120.200 0.036 0.000 2.051 127 E HA -0.116 4.234 4.350 -0.001 0.000 0.189 127 E C 2.148 178.792 176.600 0.072 0.000 0.979 127 E CA 0.999 57.429 56.400 0.048 0.000 0.803 127 E CB -0.936 28.793 29.700 0.048 0.000 0.761 127 E HN 0.313 nan 8.360 nan 0.000 0.451 128 Q N 0.387 120.235 119.800 0.080 0.000 2.112 128 Q HA -0.171 4.168 4.340 -0.001 0.000 0.206 128 Q C 2.349 178.440 176.000 0.151 0.000 0.987 128 Q CA 1.308 57.190 55.803 0.133 0.000 0.858 128 Q CB -0.325 28.460 28.738 0.079 0.000 0.905 128 Q HN 0.345 nan 8.270 nan 0.000 0.420 129 I N 0.613 121.221 120.570 0.064 0.000 2.264 129 I HA -0.349 3.821 4.170 -0.001 0.000 0.248 129 I C 2.600 178.783 176.117 0.110 0.000 1.111 129 I CA 1.305 62.642 61.300 0.061 0.000 1.382 129 I CB -0.063 37.947 38.000 0.017 0.000 1.060 129 I HN 0.157 nan 8.210 nan 0.000 0.418 130 R N 0.804 121.359 120.500 0.090 0.000 2.073 130 R HA -0.175 4.164 4.340 -0.001 0.000 0.229 130 R C 2.082 178.439 176.300 0.094 0.000 1.120 130 R CA 1.695 57.841 56.100 0.076 0.000 0.967 130 R CB -0.193 30.137 30.300 0.051 0.000 0.862 130 R HN 0.480 nan 8.270 nan 0.000 0.436 131 E N -0.722 119.552 120.200 0.125 0.000 2.110 131 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 131 E C 1.570 178.224 176.600 0.091 0.000 0.988 131 E CA 1.277 57.738 56.400 0.102 0.000 0.804 131 E CB -0.080 29.695 29.700 0.124 0.000 0.745 131 E HN 0.441 nan 8.360 nan 0.000 0.458 132 Y N 0.451 120.760 120.300 0.015 0.000 2.475 132 Y HA 0.044 4.594 4.550 -0.001 0.000 0.289 132 Y C 2.257 178.163 175.900 0.010 0.000 1.121 132 Y CA 0.421 58.529 58.100 0.013 0.000 1.257 132 Y CB 0.096 38.571 38.460 0.024 0.000 1.026 132 Y HN -0.122 nan 8.280 nan 0.000 0.555 133 R N 0.376 120.969 120.500 0.155 0.000 2.159 133 R HA 0.010 4.350 4.340 -0.001 0.000 0.237 133 R C 0.885 177.212 176.300 0.045 0.000 1.131 133 R CA 1.014 57.167 56.100 0.088 0.000 0.982 133 R CB -0.473 29.866 30.300 0.065 0.000 0.868 133 R HN 0.505 nan 8.270 nan 0.000 0.453 134 G N -0.881 107.933 108.800 0.024 0.000 2.660 134 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.247 134 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.247 134 G C -0.229 174.670 174.900 -0.002 0.000 1.328 134 G CA -0.281 44.818 45.100 -0.001 0.000 0.884 134 G HN 0.414 nan 8.290 nan 0.000 0.531 135 T N -2.694 111.853 114.554 -0.011 0.000 2.773 135 T HA 0.694 5.044 4.350 -0.001 0.000 0.278 135 T C 1.657 176.347 174.700 -0.017 0.000 1.011 135 T CA -0.046 62.047 62.100 -0.013 0.000 1.014 135 T CB 1.273 70.130 68.868 -0.017 0.000 1.293 135 T HN 0.957 nan 8.240 nan 0.000 0.554 136 L N 0.760 121.970 121.223 -0.021 0.000 2.353 136 L HA 0.045 4.385 4.340 -0.001 0.000 0.220 136 L C 2.213 179.062 176.870 -0.035 0.000 1.133 136 L CA 1.539 56.361 54.840 -0.029 0.000 0.798 136 L CB -0.713 41.328 42.059 -0.030 0.000 0.922 136 L HN 0.999 nan 8.230 nan 0.000 0.445 137 T N -5.843 108.692 114.554 -0.031 0.000 3.016 137 T HA 0.080 4.429 4.350 -0.001 0.000 0.271 137 T C 0.491 175.172 174.700 -0.031 0.000 0.968 137 T CA -0.319 61.761 62.100 -0.034 0.000 0.891 137 T CB 0.468 69.317 68.868 -0.031 0.000 1.149 137 T HN 0.117 nan 8.240 nan 0.000 0.524 138 Q N 2.518 122.301 119.800 -0.028 0.000 2.330 138 Q HA 0.436 4.776 4.340 -0.001 0.000 0.269 138 Q C -2.872 173.113 176.000 -0.025 0.000 1.022 138 Q CA -2.762 53.025 55.803 -0.028 0.000 0.796 138 Q CB 2.442 31.162 28.738 -0.030 0.000 1.271 138 Q HN 0.088 nan 8.270 nan 0.000 0.450 139 P HA 0.024 nan 4.420 nan 0.000 0.269 139 P C -0.134 177.157 177.300 -0.016 0.000 1.215 139 P CA 0.118 63.207 63.100 -0.017 0.000 0.780 139 P CB 0.763 32.452 31.700 -0.017 0.000 0.898 140 G N 1.551 110.351 108.800 -0.000 0.000 2.563 140 G HA2 0.513 4.472 3.960 -0.001 0.000 0.283 140 G HA3 0.513 4.472 3.960 -0.001 0.000 0.283 140 G C -0.593 174.312 174.900 0.009 0.000 1.309 140 G CA -0.712 44.394 45.100 0.011 0.000 1.022 140 G HN 0.649 nan 8.290 nan 0.000 0.501 141 K N -0.897 119.525 120.400 0.036 0.000 2.426 141 K HA 0.329 4.649 4.320 -0.001 0.000 0.251 141 K C -0.779 175.935 176.600 0.190 0.000 0.941 141 K CA -0.851 55.463 56.287 0.045 0.000 0.808 141 K CB 2.046 34.492 32.500 -0.090 0.000 1.265 141 K HN 0.478 nan 8.250 nan 0.000 0.432 142 N N 0.925 119.699 118.700 0.123 0.000 2.454 142 N HA -0.053 4.686 4.740 -0.001 0.000 0.254 142 N C -0.365 175.241 175.510 0.159 0.000 1.228 142 N CA 0.009 53.116 53.050 0.096 0.000 0.900 142 N CB 0.870 39.358 38.487 0.002 0.000 1.089 142 N HN 0.581 nan 8.380 nan 0.000 0.449 143 S N 1.994 117.710 115.700 0.027 0.000 2.585 143 S HA 0.153 4.623 4.470 -0.001 0.000 0.273 143 S C -1.321 173.161 174.600 -0.197 0.000 1.339 143 S CA -1.496 56.616 58.200 -0.146 0.000 1.028 143 S CB 0.706 63.890 63.200 -0.026 0.000 0.906 143 S HN 0.450 nan 8.310 nan 0.000 0.528 144 P HA 0.010 nan 4.420 nan 0.000 0.237 144 P C -0.031 176.971 177.300 -0.496 0.000 1.178 144 P CA 0.860 63.684 63.100 -0.461 0.000 0.766 144 P CB -0.138 31.210 31.700 -0.587 0.000 0.876 145 Y N -0.924 119.336 120.300 -0.068 0.000 2.458 145 Y HA 0.308 4.858 4.550 -0.001 0.000 0.256 145 Y C 2.547 178.371 175.900 -0.127 0.000 1.159 145 Y CA -0.398 57.682 58.100 -0.034 0.000 1.261 145 Y CB -0.647 37.834 38.460 0.036 0.000 1.119 145 Y HN -0.185 nan 8.280 nan 0.000 0.524 146 R N 0.718 121.066 120.500 -0.255 0.000 2.241 146 R HA -0.119 4.221 4.340 -0.001 0.000 0.224 146 R C -0.059 175.975 176.300 -0.444 0.000 1.101 146 R CA 1.336 56.973 56.100 -0.772 0.000 0.995 146 R CB 0.006 29.911 30.300 -0.658 0.000 0.870 146 R HN 0.227 nan 8.270 nan 0.000 0.463 147 D N 0.130 120.414 120.400 -0.193 0.000 2.501 147 D HA 0.069 4.708 4.640 -0.001 0.000 0.226 147 D C -0.269 176.014 176.300 -0.029 0.000 1.198 147 D CA -0.033 53.906 54.000 -0.103 0.000 0.830 147 D CB 0.300 41.053 40.800 -0.079 0.000 1.014 147 D HN 0.095 nan 8.370 nan 0.000 0.496 148 R N 1.004 121.510 120.500 0.009 0.000 2.643 148 R HA 0.146 4.485 4.340 -0.001 0.000 0.270 148 R C 1.014 177.343 176.300 0.049 0.000 1.061 148 R CA -0.014 56.121 56.100 0.057 0.000 1.107 148 R CB 0.642 31.008 30.300 0.110 0.000 0.999 148 R HN 0.077 nan 8.270 nan 0.000 0.460 149 S N 0.544 116.272 115.700 0.047 0.000 2.580 149 S HA -0.009 4.460 4.470 -0.001 0.000 0.266 149 S C 1.531 176.161 174.600 0.051 0.000 1.354 149 S CA -0.887 57.338 58.200 0.041 0.000 1.008 149 S CB 0.941 64.163 63.200 0.036 0.000 0.898 149 S HN 0.370 nan 8.310 nan 0.000 0.555 150 V N 1.945 121.885 119.914 0.043 0.000 2.392 150 V HA -0.172 3.947 4.120 -0.001 0.000 0.249 150 V C 2.539 178.662 176.094 0.049 0.000 1.059 150 V CA 2.403 64.731 62.300 0.045 0.000 1.051 150 V CB -1.388 30.456 31.823 0.036 0.000 0.658 150 V HN 0.879 nan 8.190 nan 0.000 0.455 151 E N 0.107 120.333 120.200 0.044 0.000 2.072 151 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 151 E C 2.169 178.803 176.600 0.056 0.000 0.985 151 E CA 1.318 57.744 56.400 0.044 0.000 0.801 151 E CB -0.275 29.446 29.700 0.035 0.000 0.750 151 E HN 0.662 nan 8.360 nan 0.000 0.452 152 E N 0.531 120.767 120.200 0.061 0.000 2.031 152 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 152 E C 1.891 178.548 176.600 0.095 0.000 0.994 152 E CA 1.283 57.728 56.400 0.076 0.000 0.800 152 E CB -0.256 29.492 29.700 0.079 0.000 0.752 152 E HN 0.301 nan 8.360 nan 0.000 0.447 153 N N 0.365 119.122 118.700 0.094 0.000 2.120 153 N HA -0.170 4.570 4.740 -0.001 0.000 0.188 153 N C 1.719 177.303 175.510 0.123 0.000 1.024 153 N CA 0.492 53.603 53.050 0.101 0.000 0.852 153 N CB -0.032 38.503 38.487 0.080 0.000 1.003 153 N HN -0.016 nan 8.380 nan 0.000 0.424 154 L N 1.129 122.415 121.223 0.105 0.000 2.012 154 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 154 L C 2.262 179.210 176.870 0.129 0.000 1.073 154 L CA 1.499 56.412 54.840 0.122 0.000 0.748 154 L CB -1.038 41.067 42.059 0.077 0.000 0.891 154 L HN 0.159 nan 8.230 nan 0.000 0.431 155 A N -1.382 121.496 122.820 0.097 0.000 1.873 155 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 155 A C 2.096 179.742 177.584 0.103 0.000 1.186 155 A CA 1.470 53.552 52.037 0.075 0.000 0.616 155 A CB -0.690 18.343 19.000 0.056 0.000 0.823 155 A HN 0.327 nan 8.150 nan 0.000 0.442 156 L N -1.669 119.648 121.223 0.157 0.000 2.083 156 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 156 L C 2.251 179.307 176.870 0.311 0.000 1.083 156 L CA 1.435 56.424 54.840 0.248 0.000 0.752 156 L CB -1.470 40.736 42.059 0.246 0.000 0.899 156 L HN 0.490 nan 8.230 nan 0.000 0.433 157 F N 0.997 120.985 119.950 0.065 0.000 2.186 157 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 157 F C 2.513 178.336 175.800 0.039 0.000 1.090 157 F CA 1.621 59.635 58.000 0.022 0.000 1.307 157 F CB -0.253 38.723 39.000 -0.040 0.000 1.019 157 F HN 0.212 nan 8.300 nan 0.000 0.489 158 E N 0.602 120.809 120.200 0.012 0.000 2.152 158 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 158 E C 2.212 178.756 176.600 -0.092 0.000 0.983 158 E CA 1.153 57.489 56.400 -0.107 0.000 0.818 158 E CB -0.409 29.266 29.700 -0.041 0.000 0.758 158 E HN 0.116 nan 8.360 nan 0.000 0.467 159 K N 0.089 120.474 120.400 -0.025 0.000 2.057 159 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 159 K C 2.101 178.669 176.600 -0.053 0.000 1.049 159 K CA 1.504 57.732 56.287 -0.098 0.000 0.931 159 K CB -0.276 32.128 32.500 -0.159 0.000 0.714 159 K HN 0.295 nan 8.250 nan 0.000 0.440 160 M N -0.070 119.609 119.600 0.132 0.000 2.086 160 M HA -0.164 4.316 4.480 -0.001 0.000 0.261 160 M C 2.433 178.718 176.300 -0.025 0.000 1.067 160 M CA 1.481 56.905 55.300 0.206 0.000 1.116 160 M CB -0.293 32.462 32.600 0.260 0.000 1.348 160 M HN 0.070 nan 8.290 nan 0.000 0.407 161 R N 0.382 120.767 120.500 -0.192 0.000 2.091 161 R HA -0.120 4.220 4.340 -0.001 0.000 0.238 161 R C 1.886 178.065 176.300 -0.202 0.000 1.136 161 R CA 1.742 57.673 56.100 -0.283 0.000 0.959 161 R CB -0.336 29.695 30.300 -0.449 0.000 0.856 161 R HN 0.386 nan 8.270 nan 0.000 0.437 162 A N -0.217 122.509 122.820 -0.157 0.000 2.248 162 A HA 0.066 4.386 4.320 -0.001 0.000 0.210 162 A C 1.254 178.817 177.584 -0.035 0.000 1.174 162 A CA 1.104 53.071 52.037 -0.116 0.000 0.750 162 A CB -0.432 18.500 19.000 -0.113 0.000 0.780 162 A HN 0.601 nan 8.150 nan 0.000 0.478 163 G N -2.237 106.574 108.800 0.018 0.000 2.176 163 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.252 163 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.252 163 G C 1.045 176.062 174.900 0.196 0.000 1.024 163 G CA 0.539 45.773 45.100 0.223 0.000 0.755 163 G HN 1.268 nan 8.290 nan 0.000 0.507 164 G N -0.979 107.822 108.800 0.001 0.000 2.511 164 G HA2 0.350 4.309 3.960 -0.001 0.000 0.217 164 G HA3 0.350 4.309 3.960 -0.001 0.000 0.217 164 G C 0.476 175.265 174.900 -0.186 0.000 1.133 164 G CA 0.409 45.413 45.100 -0.160 0.000 0.792 164 G HN 0.413 nan 8.290 nan 0.000 0.539 165 F N 0.605 120.630 119.950 0.125 0.000 2.432 165 F HA 0.487 5.014 4.527 -0.001 0.000 0.329 165 F C 0.586 176.527 175.800 0.235 0.000 1.076 165 F CA -1.400 56.673 58.000 0.121 0.000 1.018 165 F CB 1.447 40.492 39.000 0.075 0.000 1.201 165 F HN 0.000 nan 8.300 nan 0.000 0.489 166 E N 0.258 120.703 120.200 0.409 0.000 2.342 166 E HA 0.181 4.531 4.350 -0.001 0.000 0.257 166 E C -0.721 176.092 176.600 0.356 0.000 1.150 166 E CA -0.762 55.855 56.400 0.361 0.000 0.926 166 E CB 0.499 30.314 29.700 0.192 0.000 1.074 166 E HN 0.493 nan 8.360 nan 0.000 0.449 167 E N 0.159 120.579 120.200 0.367 0.000 2.480 167 E HA 0.063 4.413 4.350 -0.001 0.000 0.258 167 E C 0.636 177.316 176.600 0.134 0.000 0.984 167 E CA 0.674 57.219 56.400 0.241 0.000 0.930 167 E CB 0.281 30.131 29.700 0.250 0.000 0.936 167 E HN 0.818 nan 8.360 nan 0.000 0.466 168 G N 3.540 112.387 108.800 0.078 0.000 2.205 168 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.261 168 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.261 168 G C 1.102 175.989 174.900 -0.022 0.000 0.980 168 G CA 0.524 45.640 45.100 0.027 0.000 0.632 168 G HN 0.465 nan 8.290 nan 0.000 0.533 169 K N 0.632 121.023 120.400 -0.016 0.000 2.365 169 K HA 0.609 4.928 4.320 -0.001 0.000 0.199 169 K C 1.046 177.429 176.600 -0.361 0.000 1.045 169 K CA 1.481 57.708 56.287 -0.099 0.000 0.962 169 K CB 0.071 32.599 32.500 0.047 0.000 0.759 169 K HN 1.430 nan 8.250 nan 0.000 0.469 170 A N -1.313 121.289 122.820 -0.363 0.000 2.583 170 A HA 0.570 4.890 4.320 -0.001 0.000 0.292 170 A C -1.343 176.091 177.584 -0.250 0.000 1.045 170 A CA -0.609 51.132 52.037 -0.493 0.000 0.672 170 A CB 0.434 18.791 19.000 -1.071 0.000 1.283 170 A HN 0.269 nan 8.150 nan 0.000 0.419 171 C N -0.330 118.837 119.300 -0.223 0.000 3.311 171 C HA 0.835 5.294 4.460 -0.001 0.000 0.325 171 C C -1.408 173.465 174.990 -0.195 0.000 1.352 171 C CA -0.796 58.144 59.018 -0.131 0.000 1.308 171 C CB 0.537 28.210 27.740 -0.111 0.000 1.619 171 C HN 1.661 nan 8.230 nan 0.000 0.469 172 L N 2.374 123.494 121.223 -0.171 0.000 2.272 172 L HA 0.722 5.061 4.340 -0.001 0.000 0.289 172 L C 0.081 176.720 176.870 -0.385 0.000 1.032 172 L CA 0.079 54.712 54.840 -0.346 0.000 0.810 172 L CB 0.478 42.254 42.059 -0.472 0.000 1.205 172 L HN 0.809 nan 8.230 nan 0.000 0.422 173 R N 3.838 123.983 120.500 -0.592 0.000 2.803 173 R HA 0.778 5.117 4.340 -0.001 0.000 0.276 173 R C -0.831 175.193 176.300 -0.460 0.000 0.978 173 R CA -0.983 54.795 56.100 -0.535 0.000 0.939 173 R CB 1.783 31.715 30.300 -0.613 0.000 1.179 173 R HN 0.746 nan 8.270 nan 0.000 0.472 174 A N 1.772 124.435 122.820 -0.260 0.000 2.354 174 A HA 0.185 4.505 4.320 -0.001 0.000 0.269 174 A C -0.115 177.463 177.584 -0.011 0.000 1.109 174 A CA -0.264 51.688 52.037 -0.143 0.000 0.800 174 A CB 0.366 19.169 19.000 -0.329 0.000 1.045 174 A HN 0.641 nan 8.150 nan 0.000 0.489 175 K N 3.402 123.891 120.400 0.148 0.000 2.244 175 K HA 0.479 4.799 4.320 -0.001 0.000 0.263 175 K C -0.324 176.307 176.600 0.053 0.000 1.103 175 K CA -0.150 56.251 56.287 0.191 0.000 0.966 175 K CB -0.147 32.485 32.500 0.220 0.000 1.429 175 K HN 0.740 nan 8.250 nan 0.000 0.434 176 I N 0.652 121.171 120.570 -0.084 0.000 5.247 176 I HA 0.262 4.432 4.170 -0.001 0.000 0.240 176 I C -0.322 175.765 176.117 -0.049 0.000 0.809 176 I CA -0.599 60.610 61.300 -0.152 0.000 2.363 176 I CB 0.373 38.084 38.000 -0.481 0.000 1.461 176 I HN 0.395 nan 8.210 nan 0.000 0.496 177 D N 0.200 120.562 120.400 -0.063 0.000 2.478 177 D HA 0.284 4.923 4.640 -0.001 0.000 0.240 177 D C 0.292 176.591 176.300 -0.002 0.000 1.364 177 D CA -0.297 53.696 54.000 -0.011 0.000 0.987 177 D CB 1.217 42.024 40.800 0.012 0.000 1.328 177 D HN 0.121 nan 8.370 nan 0.000 0.584 178 M N 1.854 121.460 119.600 0.009 0.000 2.630 178 M HA 0.130 4.609 4.480 -0.001 0.000 0.254 178 M C 1.132 177.442 176.300 0.018 0.000 1.092 178 M CA 0.513 55.826 55.300 0.022 0.000 1.087 178 M CB -0.597 32.026 32.600 0.039 0.000 1.453 178 M HN 0.492 nan 8.290 nan 0.000 0.509 179 A N -0.797 122.031 122.820 0.013 0.000 2.574 179 A HA 0.250 4.569 4.320 -0.001 0.000 0.283 179 A C 0.781 178.372 177.584 0.011 0.000 1.270 179 A CA -0.216 51.826 52.037 0.007 0.000 0.945 179 A CB 0.009 19.010 19.000 0.003 0.000 1.127 179 A HN 0.231 nan 8.150 nan 0.000 0.522 180 S N 1.186 116.902 115.700 0.026 0.000 2.545 180 S HA 0.362 4.832 4.470 -0.001 0.000 0.275 180 S C -0.934 173.679 174.600 0.023 0.000 1.299 180 S CA -1.280 56.950 58.200 0.050 0.000 1.048 180 S CB 0.829 64.088 63.200 0.098 0.000 0.938 180 S HN 0.310 nan 8.310 nan 0.000 0.496 181 P HA -0.060 nan 4.420 nan 0.000 0.218 181 P C 0.001 177.201 177.300 -0.167 0.000 1.149 181 P CA 0.845 63.855 63.100 -0.149 0.000 0.817 181 P CB -0.092 31.446 31.700 -0.270 0.000 0.785 182 F N 0.218 120.162 119.950 -0.009 0.000 2.471 182 F HA 0.139 4.665 4.527 -0.001 0.000 0.365 182 F C 2.089 177.879 175.800 -0.017 0.000 1.095 182 F CA -0.144 57.850 58.000 -0.009 0.000 1.174 182 F CB -0.099 38.898 39.000 -0.004 0.000 1.105 182 F HN -0.229 nan 8.300 nan 0.000 0.535 183 I N 2.513 123.168 120.570 0.143 0.000 2.614 183 I HA -0.191 3.979 4.170 -0.001 0.000 0.258 183 I C 2.177 178.337 176.117 0.071 0.000 1.189 183 I CA 0.580 61.926 61.300 0.077 0.000 1.462 183 I CB -0.265 37.760 38.000 0.042 0.000 1.092 183 I HN 0.515 nan 8.210 nan 0.000 0.442 184 V N 1.250 121.223 119.914 0.099 0.000 2.515 184 V HA -0.200 3.920 4.120 -0.001 0.000 0.250 184 V C 2.162 178.253 176.094 -0.006 0.000 1.058 184 V CA 1.499 63.829 62.300 0.051 0.000 1.064 184 V CB -0.130 31.730 31.823 0.063 0.000 0.675 184 V HN 0.336 nan 8.190 nan 0.000 0.461 185 M N -0.023 119.579 119.600 0.004 0.000 2.618 185 M HA 0.161 4.641 4.480 -0.001 0.000 0.240 185 M C 0.719 176.963 176.300 -0.094 0.000 1.123 185 M CA 0.577 55.821 55.300 -0.093 0.000 1.060 185 M CB -0.673 31.895 32.600 -0.053 0.000 1.535 185 M HN 0.237 nan 8.290 nan 0.000 0.507 186 R N 1.933 122.412 120.500 -0.034 0.000 3.266 186 R HA 0.142 4.481 4.340 -0.001 0.000 0.224 186 R C -0.704 175.580 176.300 -0.026 0.000 1.525 186 R CA -0.254 55.836 56.100 -0.018 0.000 1.364 186 R CB -0.589 29.721 30.300 0.018 0.000 1.276 186 R HN 0.151 nan 8.270 nan 0.000 0.660 187 D N 1.764 122.123 120.400 -0.068 0.000 2.735 187 D HA -0.110 4.529 4.640 -0.001 0.000 0.235 187 D C -2.280 173.968 176.300 -0.087 0.000 1.175 187 D CA 0.609 54.578 54.000 -0.051 0.000 0.683 187 D CB -0.399 40.456 40.800 0.091 0.000 1.008 187 D HN 0.359 nan 8.370 nan 0.000 0.416 188 P HA 0.009 nan 4.420 nan 0.000 0.268 188 P C 0.228 177.451 177.300 -0.128 0.000 1.205 188 P CA -0.362 62.677 63.100 -0.102 0.000 0.771 188 P CB 0.874 32.517 31.700 -0.095 0.000 0.858 189 V N 4.576 124.432 119.914 -0.096 0.000 2.585 189 V HA -0.089 4.030 4.120 -0.001 0.000 0.296 189 V C 1.770 177.791 176.094 -0.123 0.000 1.035 189 V CA 0.373 62.602 62.300 -0.119 0.000 1.084 189 V CB 0.280 32.060 31.823 -0.071 0.000 0.953 189 V HN 0.465 nan 8.190 nan 0.000 0.483 190 L N 4.926 126.034 121.223 -0.191 0.000 2.286 190 L HA 0.331 4.671 4.340 -0.001 0.000 0.203 190 L C 0.069 176.790 176.870 -0.249 0.000 1.068 190 L CA 1.081 55.746 54.840 -0.292 0.000 0.811 190 L CB -0.401 41.344 42.059 -0.523 0.000 0.989 190 L HN 0.581 nan 8.230 nan 0.000 0.467 191 Y N -0.861 119.337 120.300 -0.171 0.000 2.524 191 Y HA 0.574 5.124 4.550 -0.001 0.000 0.347 191 Y C -0.345 175.540 175.900 -0.025 0.000 1.005 191 Y CA -1.274 56.799 58.100 -0.044 0.000 1.025 191 Y CB 1.579 40.075 38.460 0.059 0.000 1.275 191 Y HN -0.014 nan 8.280 nan 0.000 0.460 192 R N 1.148 121.751 120.500 0.172 0.000 2.725 192 R HA 0.688 5.027 4.340 -0.001 0.000 0.277 192 R C -1.888 174.487 176.300 0.125 0.000 0.987 192 R CA -0.834 55.331 56.100 0.109 0.000 0.901 192 R CB 0.969 31.309 30.300 0.066 0.000 1.207 192 R HN 0.537 nan 8.270 nan 0.000 0.463 193 I N 2.246 122.855 120.570 0.066 0.000 2.396 193 I HA 0.286 4.456 4.170 -0.001 0.000 0.289 193 I C -0.179 175.944 176.117 0.009 0.000 1.056 193 I CA -0.239 61.050 61.300 -0.018 0.000 1.365 193 I CB 0.669 38.643 38.000 -0.043 0.000 1.407 193 I HN 0.307 nan 8.210 nan 0.000 0.509 194 K N 7.278 127.686 120.400 0.015 0.000 2.640 194 K HA 0.301 4.620 4.320 -0.001 0.000 0.245 194 K C -1.021 175.651 176.600 0.120 0.000 0.962 194 K CA -0.475 55.892 56.287 0.135 0.000 0.896 194 K CB 1.434 34.064 32.500 0.217 0.000 1.147 194 K HN 0.360 nan 8.250 nan 0.000 0.445 195 F N 2.011 122.085 119.950 0.207 0.000 2.666 195 F HA 0.241 4.767 4.527 -0.001 0.000 0.362 195 F C 0.781 176.682 175.800 0.170 0.000 1.190 195 F CA -0.322 57.786 58.000 0.181 0.000 1.328 195 F CB 0.349 39.419 39.000 0.116 0.000 1.682 195 F HN 0.373 nan 8.300 nan 0.000 0.623 196 A N 0.829 123.842 122.820 0.323 0.000 2.386 196 A HA 0.463 4.783 4.320 -0.001 0.000 0.311 196 A C -0.379 177.357 177.584 0.253 0.000 1.068 196 A CA -0.804 51.368 52.037 0.224 0.000 0.743 196 A CB 0.873 19.946 19.000 0.122 0.000 1.258 196 A HN 0.395 nan 8.150 nan 0.000 0.429 197 E N 1.602 121.921 120.200 0.198 0.000 2.376 197 E HA 0.049 4.399 4.350 -0.001 0.000 0.266 197 E C -0.640 176.087 176.600 0.211 0.000 1.009 197 E CA -0.145 56.382 56.400 0.212 0.000 0.902 197 E CB 0.335 30.122 29.700 0.146 0.000 0.972 197 E HN 0.693 nan 8.360 nan 0.000 0.439 198 H N 3.283 122.470 119.070 0.194 0.000 2.473 198 H HA 0.044 4.600 4.556 -0.001 0.000 0.327 198 H C 0.584 175.948 175.328 0.059 0.000 1.105 198 H CA -0.105 56.026 56.048 0.138 0.000 1.280 198 H CB 0.881 30.804 29.762 0.267 0.000 1.450 198 H HN 0.780 nan 8.280 nan 0.000 0.492 199 H N 1.656 120.677 119.070 -0.082 0.000 2.543 199 H HA -0.042 4.513 4.556 -0.001 0.000 0.286 199 H C 0.686 176.060 175.328 0.076 0.000 1.037 199 H CA 1.014 57.051 56.048 -0.018 0.000 1.250 199 H CB 0.504 30.185 29.762 -0.135 0.000 1.373 199 H HN 0.445 nan 8.280 nan 0.000 0.580 200 Q N 0.271 120.103 119.800 0.053 0.000 2.580 200 Q HA 0.062 4.402 4.340 -0.001 0.000 0.239 200 Q C 1.785 177.736 176.000 -0.082 0.000 0.873 200 Q CA 1.564 57.278 55.803 -0.149 0.000 0.951 200 Q CB 0.282 28.762 28.738 -0.430 0.000 1.172 200 Q HN 0.676 nan 8.270 nan 0.000 0.616 201 T N -1.625 112.919 114.554 -0.018 0.000 3.122 201 T HA 0.418 4.767 4.350 -0.001 0.000 0.250 201 T C 1.143 175.940 174.700 0.161 0.000 1.067 201 T CA 0.509 62.648 62.100 0.065 0.000 0.966 201 T CB 0.229 69.214 68.868 0.194 0.000 1.002 201 T HN 0.399 nan 8.240 nan 0.000 0.542 202 G N 2.883 111.786 108.800 0.171 0.000 2.611 202 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.301 202 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.301 202 G C 0.350 175.376 174.900 0.211 0.000 1.233 202 G CA 0.283 45.476 45.100 0.155 0.000 0.993 202 G HN 0.515 nan 8.290 nan 0.000 0.553 203 N N 1.079 119.865 118.700 0.143 0.000 2.380 203 N HA 0.111 4.851 4.740 -0.001 0.000 0.255 203 N C 1.546 177.098 175.510 0.071 0.000 1.158 203 N CA 0.434 53.572 53.050 0.148 0.000 0.878 203 N CB 0.957 39.513 38.487 0.114 0.000 1.138 203 N HN 0.645 nan 8.380 nan 0.000 0.509 204 K N -0.236 120.189 120.400 0.042 0.000 2.155 204 K HA -0.040 4.280 4.320 -0.001 0.000 0.203 204 K C -0.372 176.010 176.600 -0.364 0.000 1.052 204 K CA 0.835 57.013 56.287 -0.181 0.000 0.948 204 K CB 0.315 32.687 32.500 -0.213 0.000 0.728 204 K HN 0.060 nan 8.250 nan 0.000 0.448 205 W N -0.696 120.542 121.300 -0.104 0.000 2.689 205 W HA 0.231 4.891 4.660 -0.001 0.000 0.340 205 W C 0.709 177.016 176.519 -0.354 0.000 1.060 205 W CA -1.240 55.909 57.345 -0.327 0.000 1.218 205 W CB 1.343 30.444 29.460 -0.598 0.000 1.410 205 W HN 0.077 nan 8.180 nan 0.000 0.528 206 C N 0.512 119.702 119.300 -0.183 0.000 3.403 206 C HA 0.525 4.984 4.460 -0.001 0.000 0.317 206 C C 0.494 175.256 174.990 -0.379 0.000 1.346 206 C CA -0.316 58.513 59.018 -0.315 0.000 1.743 206 C CB -1.371 26.083 27.740 -0.477 0.000 2.308 206 C HN 0.465 nan 8.230 nan 0.000 0.675 207 I N -1.120 119.233 120.570 -0.361 0.000 2.474 207 I HA 0.795 4.964 4.170 -0.001 0.000 0.294 207 I C -1.505 174.362 176.117 -0.416 0.000 1.005 207 I CA -0.832 60.360 61.300 -0.180 0.000 1.113 207 I CB 1.282 39.277 38.000 -0.008 0.000 1.289 207 I HN 0.048 nan 8.210 nan 0.000 0.436 208 Y N 4.816 125.131 120.300 0.026 0.000 2.499 208 Y HA 0.612 5.162 4.550 -0.001 0.000 0.347 208 Y C -2.501 173.164 175.900 -0.392 0.000 0.987 208 Y CA -2.481 55.469 58.100 -0.250 0.000 1.044 208 Y CB 2.153 40.512 38.460 -0.169 0.000 1.245 208 Y HN 0.446 nan 8.280 nan 0.000 0.461 209 P HA 0.141 nan 4.420 nan 0.000 0.278 209 P C -0.608 176.565 177.300 -0.212 0.000 1.238 209 P CA -0.180 62.455 63.100 -0.775 0.000 0.794 209 P CB 0.964 32.338 31.700 -0.543 0.000 0.955 210 M N 2.325 121.847 119.600 -0.131 0.000 2.247 210 M HA 0.081 4.561 4.480 -0.001 0.000 0.326 210 M C 1.634 177.998 176.300 0.106 0.000 1.134 210 M CA -0.459 54.860 55.300 0.033 0.000 1.136 210 M CB -0.108 32.512 32.600 0.034 0.000 1.454 210 M HN 0.481 nan 8.290 nan 0.000 0.467 211 Y N 2.417 122.764 120.300 0.078 0.000 2.069 211 Y HA -0.322 4.227 4.550 -0.001 0.000 0.278 211 Y C 1.627 177.595 175.900 0.113 0.000 1.175 211 Y CA 2.480 60.642 58.100 0.103 0.000 1.134 211 Y CB -0.164 38.362 38.460 0.110 0.000 0.965 211 Y HN 0.693 nan 8.280 nan 0.000 0.498 212 D N -0.689 119.679 120.400 -0.054 0.000 2.178 212 D HA -0.197 4.442 4.640 -0.001 0.000 0.201 212 D C 1.907 178.164 176.300 -0.071 0.000 0.980 212 D CA 1.550 55.483 54.000 -0.112 0.000 0.842 212 D CB -0.405 40.474 40.800 0.131 0.000 0.948 212 D HN 0.439 nan 8.370 nan 0.000 0.472 213 F N 1.672 121.528 119.950 -0.156 0.000 2.234 213 F HA -0.080 4.447 4.527 -0.001 0.000 0.296 213 F C 2.325 178.008 175.800 -0.194 0.000 1.089 213 F CA 1.027 58.940 58.000 -0.145 0.000 1.343 213 F CB -0.383 38.544 39.000 -0.121 0.000 1.040 213 F HN -0.213 nan 8.300 nan 0.000 0.498 214 T N -1.197 113.211 114.554 -0.245 0.000 2.668 214 T HA -0.203 4.147 4.350 -0.001 0.000 0.262 214 T C 1.690 176.167 174.700 -0.372 0.000 1.045 214 T CA 1.867 63.792 62.100 -0.291 0.000 1.152 214 T CB -0.720 68.106 68.868 -0.070 0.000 0.864 214 T HN 0.375 nan 8.240 nan 0.000 0.419 215 H N 0.519 119.305 119.070 -0.474 0.000 2.357 215 H HA -0.168 4.388 4.556 -0.001 0.000 0.296 215 H C 2.536 177.566 175.328 -0.497 0.000 1.108 215 H CA 2.216 57.976 56.048 -0.480 0.000 1.273 215 H CB -0.498 28.830 29.762 -0.724 0.000 1.367 215 H HN 0.618 nan 8.280 nan 0.000 0.498 216 C N -0.820 118.096 119.300 -0.640 0.000 2.457 216 C HA 0.054 4.513 4.460 -0.001 0.000 0.278 216 C C 2.660 177.182 174.990 -0.780 0.000 1.309 216 C CA 0.337 58.710 59.018 -1.074 0.000 1.735 216 C CB -1.071 25.748 27.740 -1.536 0.000 1.992 216 C HN 0.549 nan 8.230 nan 0.000 0.493 217 I N 2.143 122.298 120.570 -0.693 0.000 2.439 217 I HA -0.130 4.039 4.170 -0.001 0.000 0.251 217 I C 2.754 178.518 176.117 -0.589 0.000 1.139 217 I CA 1.472 62.394 61.300 -0.630 0.000 1.438 217 I CB -0.466 37.142 38.000 -0.653 0.000 1.085 217 I HN 0.330 nan 8.210 nan 0.000 0.427 218 S N 0.573 115.916 115.700 -0.595 0.000 2.356 218 S HA -0.192 4.277 4.470 -0.001 0.000 0.223 218 S C 1.620 175.869 174.600 -0.585 0.000 1.032 218 S CA 1.432 59.225 58.200 -0.678 0.000 1.005 218 S CB -0.291 62.650 63.200 -0.432 0.000 0.867 218 S HN 0.420 nan 8.310 nan 0.000 0.449 219 D N 1.595 121.695 120.400 -0.500 0.000 2.117 219 D HA -0.016 4.623 4.640 -0.001 0.000 0.197 219 D C 2.146 178.244 176.300 -0.337 0.000 0.987 219 D CA 1.261 55.045 54.000 -0.360 0.000 0.829 219 D CB -0.481 40.183 40.800 -0.227 0.000 0.961 219 D HN 0.364 nan 8.370 nan 0.000 0.460 220 A N 0.673 123.265 122.820 -0.380 0.000 1.858 220 A HA -0.128 4.191 4.320 -0.001 0.000 0.216 220 A C 2.431 179.838 177.584 -0.297 0.000 1.190 220 A CA 0.977 52.821 52.037 -0.322 0.000 0.617 220 A CB -0.864 17.912 19.000 -0.373 0.000 0.827 220 A HN 0.218 nan 8.150 nan 0.000 0.443 221 L N -0.649 120.353 121.223 -0.367 0.000 2.042 221 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 221 L C 2.342 179.050 176.870 -0.271 0.000 1.076 221 L CA 1.680 56.325 54.840 -0.326 0.000 0.749 221 L CB -0.582 41.172 42.059 -0.509 0.000 0.893 221 L HN 0.481 nan 8.230 nan 0.000 0.432 222 E N -0.200 119.805 120.200 -0.324 0.000 2.482 222 E HA 0.007 4.356 4.350 -0.001 0.000 0.196 222 E C 1.169 177.544 176.600 -0.375 0.000 1.047 222 E CA 0.442 56.683 56.400 -0.265 0.000 0.869 222 E CB 0.068 29.625 29.700 -0.238 0.000 0.836 222 E HN 0.556 nan 8.360 nan 0.000 0.520 223 G N 1.982 110.589 108.800 -0.321 0.000 2.221 223 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.265 223 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.265 223 G C 0.179 174.836 174.900 -0.404 0.000 1.041 223 G CA -0.228 44.687 45.100 -0.308 0.000 0.807 223 G HN 0.125 nan 8.290 nan 0.000 0.502 224 I N 1.149 121.504 120.570 -0.360 0.000 2.692 224 I HA 0.161 4.330 4.170 -0.001 0.000 0.284 224 I C 1.984 177.983 176.117 -0.197 0.000 1.159 224 I CA 1.045 62.188 61.300 -0.260 0.000 1.423 224 I CB 0.668 38.574 38.000 -0.158 0.000 1.380 224 I HN 0.384 nan 8.210 nan 0.000 0.580 225 T N 2.482 116.889 114.554 -0.244 0.000 3.021 225 T HA 0.099 4.448 4.350 -0.001 0.000 0.245 225 T C 0.580 174.897 174.700 -0.639 0.000 1.028 225 T CA 0.493 62.257 62.100 -0.560 0.000 1.139 225 T CB 0.117 68.400 68.868 -0.974 0.000 0.884 225 T HN 0.544 nan 8.240 nan 0.000 0.457 226 H N 1.049 120.083 119.070 -0.061 0.000 2.970 226 H HA 0.545 5.100 4.556 -0.001 0.000 0.315 226 H C -1.159 174.198 175.328 0.048 0.000 0.992 226 H CA -0.679 55.400 56.048 0.051 0.000 1.363 226 H CB 1.572 31.340 29.762 0.009 0.000 1.532 226 H HN 0.191 nan 8.280 nan 0.000 0.514 227 S N 4.778 120.560 115.700 0.136 0.000 2.400 227 S HA 0.304 4.774 4.470 -0.001 0.000 0.295 227 S C 0.087 174.760 174.600 0.123 0.000 1.113 227 S CA -0.731 57.532 58.200 0.105 0.000 1.064 227 S CB -0.397 62.859 63.200 0.094 0.000 0.990 227 S HN 0.414 nan 8.310 nan 0.000 0.502 228 L N 6.475 127.793 121.223 0.159 0.000 2.265 228 L HA 0.544 4.884 4.340 -0.001 0.000 0.289 228 L C 0.339 177.398 176.870 0.315 0.000 1.033 228 L CA -0.842 54.142 54.840 0.241 0.000 0.814 228 L CB 0.427 42.586 42.059 0.167 0.000 1.203 228 L HN 0.776 nan 8.230 nan 0.000 0.423 229 C N -0.135 119.326 119.300 0.268 0.000 3.235 229 C HA 0.881 5.340 4.460 -0.001 0.000 0.351 229 C C 0.773 175.649 174.990 -0.190 0.000 1.520 229 C CA -0.648 58.422 59.018 0.087 0.000 1.474 229 C CB 1.463 29.124 27.740 -0.133 0.000 2.019 229 C HN 0.779 nan 8.230 nan 0.000 0.446 230 T N -0.366 114.051 114.554 -0.228 0.000 2.847 230 T HA 0.410 4.759 4.350 -0.001 0.000 0.279 230 T C 0.939 175.582 174.700 -0.095 0.000 0.984 230 T CA -0.504 61.333 62.100 -0.438 0.000 0.988 230 T CB 0.403 69.067 68.868 -0.339 0.000 1.040 230 T HN 0.560 nan 8.240 nan 0.000 0.528 231 L N 1.156 122.292 121.223 -0.144 0.000 2.043 231 L HA -0.093 4.247 4.340 -0.001 0.000 0.212 231 L C 2.415 179.238 176.870 -0.080 0.000 1.075 231 L CA 1.793 56.596 54.840 -0.062 0.000 0.752 231 L CB -1.600 40.419 42.059 -0.066 0.000 0.891 231 L HN 0.814 nan 8.230 nan 0.000 0.432 232 E N -1.807 118.275 120.200 -0.197 0.000 2.501 232 E HA -0.190 4.160 4.350 -0.001 0.000 0.203 232 E C 1.234 177.541 176.600 -0.489 0.000 1.072 232 E CA 0.854 57.041 56.400 -0.355 0.000 0.885 232 E CB -0.608 28.798 29.700 -0.490 0.000 0.813 232 E HN 0.421 nan 8.360 nan 0.000 0.556 233 F N 0.416 120.326 119.950 -0.066 0.000 2.661 233 F HA 0.242 4.768 4.527 -0.001 0.000 0.306 233 F C 1.713 177.501 175.800 -0.020 0.000 1.094 233 F CA -0.317 57.661 58.000 -0.037 0.000 1.254 233 F CB 0.195 39.169 39.000 -0.043 0.000 1.040 233 F HN -0.066 nan 8.300 nan 0.000 0.562 234 Q N 0.382 120.243 119.800 0.102 0.000 2.135 234 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 234 Q C 1.295 177.340 176.000 0.076 0.000 0.981 234 Q CA 1.724 57.574 55.803 0.077 0.000 0.856 234 Q CB -0.122 28.655 28.738 0.065 0.000 0.902 234 Q HN 0.320 nan 8.270 nan 0.000 0.425 235 D N 0.275 120.731 120.400 0.093 0.000 2.117 235 D HA -0.102 4.538 4.640 -0.001 0.000 0.198 235 D C 1.488 177.800 176.300 0.019 0.000 0.982 235 D CA 0.745 54.816 54.000 0.119 0.000 0.828 235 D CB -0.352 40.550 40.800 0.171 0.000 0.967 235 D HN 0.266 nan 8.370 nan 0.000 0.464 236 N N 0.846 119.605 118.700 0.098 0.000 2.272 236 N HA -0.179 4.560 4.740 -0.001 0.000 0.185 236 N C 1.849 177.427 175.510 0.115 0.000 1.014 236 N CA 0.363 53.508 53.050 0.159 0.000 0.870 236 N CB -0.037 38.671 38.487 0.368 0.000 0.975 236 N HN 0.207 nan 8.380 nan 0.000 0.433 237 R N 1.436 121.958 120.500 0.038 0.000 2.139 237 R HA -0.108 4.232 4.340 -0.001 0.000 0.243 237 R C 1.893 178.192 176.300 -0.002 0.000 1.145 237 R CA 1.255 57.336 56.100 -0.032 0.000 0.976 237 R CB 0.085 30.318 30.300 -0.113 0.000 0.866 237 R HN 0.024 nan 8.270 nan 0.000 0.449 238 R N 0.143 120.565 120.500 -0.131 0.000 2.081 238 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 238 R C 2.019 178.319 176.300 0.000 0.000 1.131 238 R CA 1.057 57.035 56.100 -0.204 0.000 0.960 238 R CB -0.663 29.238 30.300 -0.664 0.000 0.856 238 R HN 0.205 nan 8.270 nan 0.000 0.436 239 L N -0.804 120.442 121.223 0.039 0.000 2.131 239 L HA -0.042 4.298 4.340 -0.001 0.000 0.206 239 L C 1.843 178.857 176.870 0.240 0.000 1.087 239 L CA 1.520 56.441 54.840 0.134 0.000 0.767 239 L CB -0.808 41.296 42.059 0.075 0.000 0.917 239 L HN 0.184 nan 8.230 nan 0.000 0.441 240 Y N 0.801 121.130 120.300 0.049 0.000 2.081 240 Y HA -0.308 4.241 4.550 -0.001 0.000 0.280 240 Y C 2.254 178.152 175.900 -0.004 0.000 1.163 240 Y CA 2.371 60.468 58.100 -0.004 0.000 1.135 240 Y CB -0.361 38.086 38.460 -0.022 0.000 0.970 240 Y HN 0.315 nan 8.280 nan 0.000 0.498 241 D N -1.130 119.495 120.400 0.375 0.000 2.178 241 D HA -0.204 4.436 4.640 -0.001 0.000 0.202 241 D C 1.819 178.235 176.300 0.193 0.000 0.974 241 D CA 1.275 55.469 54.000 0.323 0.000 0.841 241 D CB -0.889 40.082 40.800 0.285 0.000 0.953 241 D HN 0.601 nan 8.370 nan 0.000 0.478 242 W N 1.641 122.959 121.300 0.029 0.000 2.354 242 W HA -0.224 4.436 4.660 -0.001 0.000 0.315 242 W C 2.113 178.613 176.519 -0.033 0.000 1.206 242 W CA 1.313 58.660 57.345 0.003 0.000 1.290 242 W CB -0.400 29.058 29.460 -0.003 0.000 1.152 242 W HN -0.250 nan 8.180 nan 0.000 0.489 243 V N 1.459 121.467 119.914 0.158 0.000 2.255 243 V HA -0.370 3.749 4.120 -0.001 0.000 0.247 243 V C 2.371 178.249 176.094 -0.360 0.000 1.051 243 V CA 2.266 64.520 62.300 -0.077 0.000 1.018 243 V CB -1.249 30.587 31.823 0.022 0.000 0.641 243 V HN 0.273 nan 8.190 nan 0.000 0.445 244 L N -0.286 120.700 121.223 -0.394 0.000 2.083 244 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 244 L C 2.230 178.882 176.870 -0.363 0.000 1.083 244 L CA 1.460 55.999 54.840 -0.502 0.000 0.752 244 L CB -0.783 40.807 42.059 -0.782 0.000 0.899 244 L HN 0.345 nan 8.230 nan 0.000 0.433 245 D N -0.084 120.164 120.400 -0.253 0.000 2.350 245 D HA -0.103 4.536 4.640 -0.001 0.000 0.216 245 D C 1.397 177.517 176.300 -0.300 0.000 0.968 245 D CA 0.807 54.702 54.000 -0.176 0.000 0.894 245 D CB -0.051 40.691 40.800 -0.097 0.000 0.909 245 D HN 0.359 nan 8.370 nan 0.000 0.520 246 N N 0.177 118.599 118.700 -0.463 0.000 2.184 246 N HA 0.122 4.862 4.740 -0.001 0.000 0.206 246 N C 0.558 175.877 175.510 -0.318 0.000 1.151 246 N CA 0.000 52.764 53.050 -0.477 0.000 0.878 246 N CB 1.614 39.578 38.487 -0.872 0.000 1.014 246 N HN 0.342 nan 8.380 nan 0.000 0.512 247 I N -2.247 118.146 120.570 -0.296 0.000 2.957 247 I HA 0.459 4.629 4.170 -0.001 0.000 0.310 247 I C -0.423 175.608 176.117 -0.143 0.000 1.063 247 I CA -0.737 60.435 61.300 -0.214 0.000 1.033 247 I CB 1.735 39.468 38.000 -0.446 0.000 1.230 247 I HN -0.338 nan 8.210 nan 0.000 0.447 248 T N 4.850 119.410 114.554 0.011 0.000 2.992 248 T HA 0.523 4.873 4.350 -0.001 0.000 0.299 248 T C -0.384 174.354 174.700 0.063 0.000 1.027 248 T CA 0.164 62.285 62.100 0.035 0.000 1.001 248 T CB -0.602 68.309 68.868 0.071 0.000 1.005 248 T HN 0.458 nan 8.240 nan 0.000 0.599 249 I N 4.979 125.514 120.570 -0.058 0.000 2.534 249 I HA 0.351 4.521 4.170 -0.001 0.000 0.288 249 I C -1.593 174.479 176.117 -0.076 0.000 1.077 249 I CA -2.347 58.907 61.300 -0.077 0.000 1.051 249 I CB 2.723 40.572 38.000 -0.253 0.000 1.234 249 I HN 0.233 nan 8.210 nan 0.000 0.425 250 P HA -0.035 nan 4.420 nan 0.000 0.226 250 P C 0.004 177.283 177.300 -0.036 0.000 1.153 250 P CA 0.896 63.975 63.100 -0.035 0.000 0.777 250 P CB -0.032 31.654 31.700 -0.023 0.000 0.794 251 V N -3.159 116.719 119.914 -0.060 0.000 3.001 251 V HA 0.585 4.705 4.120 -0.001 0.000 0.314 251 V C -1.060 175.013 176.094 -0.034 0.000 1.099 251 V CA -1.184 61.095 62.300 -0.034 0.000 0.989 251 V CB 2.113 33.906 31.823 -0.050 0.000 1.040 251 V HN 0.035 nan 8.190 nan 0.000 0.434 252 H N 2.066 121.101 119.070 -0.059 0.000 2.917 252 H HA 0.603 5.159 4.556 -0.001 0.000 0.279 252 H C -2.855 172.475 175.328 0.003 0.000 1.211 252 H CA -1.645 54.377 56.048 -0.043 0.000 1.534 252 H CB 1.682 31.420 29.762 -0.039 0.000 1.581 252 H HN 0.668 nan 8.280 nan 0.000 0.510 253 P HA 0.129 nan 4.420 nan 0.000 0.271 253 P C -0.617 176.815 177.300 0.221 0.000 1.218 253 P CA -0.471 62.710 63.100 0.136 0.000 0.780 253 P CB 0.747 32.493 31.700 0.078 0.000 0.901 254 R N 2.071 122.604 120.500 0.056 0.000 2.338 254 R HA 0.297 4.636 4.340 -0.001 0.000 0.317 254 R C -0.024 176.028 176.300 -0.413 0.000 0.968 254 R CA -0.615 55.395 56.100 -0.149 0.000 0.849 254 R CB 1.161 31.402 30.300 -0.098 0.000 1.128 254 R HN 0.563 nan 8.270 nan 0.000 0.448 255 Q N 2.727 122.130 119.800 -0.662 0.000 2.261 255 Q HA 0.257 4.597 4.340 -0.001 0.000 0.252 255 Q C -1.262 174.317 176.000 -0.702 0.000 0.915 255 Q CA -0.183 55.255 55.803 -0.609 0.000 0.915 255 Q CB 0.715 29.013 28.738 -0.733 0.000 1.204 255 Q HN 0.430 nan 8.270 nan 0.000 0.421 256 Y N 1.741 122.043 120.300 0.004 0.000 2.442 256 Y HA 0.318 4.868 4.550 -0.000 0.000 0.344 256 Y C -0.946 175.050 175.900 0.160 0.000 0.976 256 Y CA -0.987 57.163 58.100 0.084 0.000 1.040 256 Y CB 2.121 40.608 38.460 0.046 0.000 1.228 256 Y HN 0.612 nan 8.280 nan 0.000 0.451 257 E N 3.496 123.914 120.200 0.363 0.000 2.183 257 E HA 0.562 4.912 4.350 -0.001 0.000 0.271 257 E C -1.285 175.589 176.600 0.456 0.000 0.919 257 E CA -0.685 55.890 56.400 0.292 0.000 0.781 257 E CB 1.471 31.261 29.700 0.150 0.000 1.140 257 E HN 0.385 nan 8.360 nan 0.000 0.402 258 F N -0.704 119.420 119.950 0.290 0.000 2.561 258 F HA 0.685 5.212 4.527 -0.000 0.000 0.321 258 F C 0.048 175.953 175.800 0.175 0.000 1.065 258 F CA -1.521 56.672 58.000 0.322 0.000 0.934 258 F CB 1.017 40.198 39.000 0.301 0.000 1.215 258 F HN 0.306 nan 8.300 nan 0.000 0.471 259 S N 1.798 117.602 115.700 0.173 0.000 2.562 259 S HA 0.383 4.853 4.470 -0.001 0.000 0.281 259 S C 0.016 174.637 174.600 0.035 0.000 1.333 259 S CA -1.015 57.201 58.200 0.027 0.000 1.052 259 S CB 0.489 63.721 63.200 0.053 0.000 0.884 259 S HN 0.972 nan 8.310 nan 0.000 0.506 260 R N 1.200 121.666 120.500 -0.057 0.000 2.637 260 R HA 0.555 4.895 4.340 -0.001 0.000 0.269 260 R C -0.323 176.008 176.300 0.052 0.000 1.089 260 R CA -0.977 55.121 56.100 -0.003 0.000 1.177 260 R CB 0.094 30.363 30.300 -0.052 0.000 1.091 260 R HN 0.567 nan 8.270 nan 0.000 0.540 261 L N 1.223 122.493 121.223 0.078 0.000 2.350 261 L HA 0.368 4.708 4.340 -0.001 0.000 0.275 261 L C -1.060 175.820 176.870 0.017 0.000 1.099 261 L CA -0.105 54.775 54.840 0.067 0.000 0.808 261 L CB 1.094 43.220 42.059 0.111 0.000 1.149 261 L HN 0.642 nan 8.230 nan 0.000 0.442 262 N N 5.253 123.968 118.700 0.024 0.000 2.310 262 N HA 0.448 5.188 4.740 -0.001 0.000 0.292 262 N C -1.595 173.937 175.510 0.038 0.000 1.049 262 N CA -0.398 52.648 53.050 -0.007 0.000 0.849 262 N CB 2.422 40.890 38.487 -0.032 0.000 1.532 262 N HN 0.579 nan 8.380 nan 0.000 0.479 263 L N 1.082 122.323 121.223 0.031 0.000 2.329 263 L HA 0.350 4.689 4.340 -0.001 0.000 0.279 263 L C 0.618 177.515 176.870 0.045 0.000 1.014 263 L CA -0.656 54.227 54.840 0.072 0.000 0.814 263 L CB 1.860 43.966 42.059 0.078 0.000 1.257 263 L HN 0.417 nan 8.230 nan 0.000 0.424 264 E N 2.466 122.703 120.200 0.062 0.000 2.414 264 E HA -0.063 4.286 4.350 -0.001 0.000 0.263 264 E C -0.701 175.976 176.600 0.129 0.000 1.000 264 E CA 0.539 56.941 56.400 0.003 0.000 0.914 264 E CB 0.260 29.994 29.700 0.057 0.000 0.948 264 E HN 0.487 nan 8.360 nan 0.000 0.444 265 Y N -0.451 119.894 120.300 0.075 0.000 4.936 265 Y HA -0.302 4.247 4.550 -0.001 0.000 0.260 265 Y C 0.271 176.332 175.900 0.268 0.000 0.928 265 Y CA 1.274 59.463 58.100 0.148 0.000 1.869 265 Y CB -1.682 36.857 38.460 0.133 0.000 1.344 265 Y HN 0.498 nan 8.280 nan 0.000 0.521 266 T N -0.429 114.277 114.554 0.252 0.000 2.883 266 T HA 0.715 5.065 4.350 -0.001 0.000 0.301 266 T C -0.756 173.976 174.700 0.053 0.000 1.158 266 T CA -0.174 62.106 62.100 0.299 0.000 1.007 266 T CB 1.327 70.335 68.868 0.234 0.000 1.186 266 T HN 0.532 nan 8.240 nan 0.000 0.499 267 V N 2.426 122.365 119.914 0.042 0.000 2.617 267 V HA 0.754 4.873 4.120 -0.001 0.000 0.298 267 V C 0.220 176.255 176.094 -0.099 0.000 1.048 267 V CA -0.723 61.505 62.300 -0.118 0.000 0.964 267 V CB 1.313 33.008 31.823 -0.214 0.000 1.004 267 V HN 0.870 nan 8.190 nan 0.000 0.466 268 M N 4.049 123.540 119.600 -0.182 0.000 2.778 268 M HA 0.402 4.881 4.480 -0.001 0.000 0.359 268 M C 0.217 176.354 176.300 -0.273 0.000 1.216 268 M CA 0.094 55.201 55.300 -0.321 0.000 0.935 268 M CB -0.189 32.201 32.600 -0.351 0.000 1.330 268 M HN 1.049 nan 8.290 nan 0.000 0.516 269 S N -1.747 113.895 115.700 -0.097 0.000 2.482 269 S HA 0.477 4.946 4.470 -0.001 0.000 0.303 269 S C 0.749 175.439 174.600 0.149 0.000 1.091 269 S CA -0.814 57.402 58.200 0.027 0.000 1.057 269 S CB 1.739 64.904 63.200 -0.059 0.000 1.031 269 S HN 0.358 nan 8.310 nan 0.000 0.485 270 K N 1.224 121.788 120.400 0.273 0.000 2.152 270 K HA -0.122 4.198 4.320 -0.001 0.000 0.206 270 K C 2.241 178.980 176.600 0.231 0.000 1.048 270 K CA 0.819 57.320 56.287 0.356 0.000 0.933 270 K CB -0.182 32.499 32.500 0.301 0.000 0.721 270 K HN 0.576 nan 8.250 nan 0.000 0.447 271 R N 2.110 122.678 120.500 0.113 0.000 2.083 271 R HA -0.135 4.205 4.340 -0.001 0.000 0.237 271 R C 1.733 178.036 176.300 0.005 0.000 1.137 271 R CA 1.708 57.839 56.100 0.052 0.000 0.951 271 R CB -0.052 30.249 30.300 0.002 0.000 0.851 271 R HN 0.151 nan 8.270 nan 0.000 0.434 272 K N 0.224 120.575 120.400 -0.082 0.000 2.062 272 K HA -0.028 4.292 4.320 -0.001 0.000 0.205 272 K C 2.303 178.917 176.600 0.024 0.000 1.051 272 K CA 1.079 57.257 56.287 -0.181 0.000 0.941 272 K CB -0.145 32.013 32.500 -0.569 0.000 0.719 272 K HN 0.173 nan 8.250 nan 0.000 0.440 273 L N 1.451 122.680 121.223 0.011 0.000 2.079 273 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 273 L C 2.290 178.925 176.870 -0.392 0.000 1.081 273 L CA 0.885 55.684 54.840 -0.067 0.000 0.752 273 L CB -0.505 41.593 42.059 0.066 0.000 0.896 273 L HN 0.238 nan 8.230 nan 0.000 0.433 274 N N 0.444 118.960 118.700 -0.306 0.000 2.244 274 N HA -0.177 4.563 4.740 -0.001 0.000 0.183 274 N C 1.723 177.121 175.510 -0.187 0.000 1.016 274 N CA 1.023 53.855 53.050 -0.364 0.000 0.866 274 N CB -0.062 38.474 38.487 0.082 0.000 0.980 274 N HN 0.148 nan 8.380 nan 0.000 0.430 275 L N 0.607 121.819 121.223 -0.020 0.000 2.141 275 L HA 0.077 4.416 4.340 -0.001 0.000 0.209 275 L C 2.002 178.899 176.870 0.046 0.000 1.094 275 L CA 1.116 56.002 54.840 0.076 0.000 0.763 275 L CB -0.467 41.743 42.059 0.252 0.000 0.908 275 L HN 0.181 nan 8.230 nan 0.000 0.437 276 L N -2.092 119.162 121.223 0.050 0.000 2.093 276 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 276 L C 2.315 179.102 176.870 -0.137 0.000 1.085 276 L CA 0.779 55.642 54.840 0.037 0.000 0.755 276 L CB -0.568 41.530 42.059 0.065 0.000 0.904 276 L HN 0.092 nan 8.230 nan 0.000 0.435 277 V N -0.922 118.818 119.914 -0.289 0.000 2.323 277 V HA -0.220 3.900 4.120 -0.001 0.000 0.244 277 V C 2.513 178.475 176.094 -0.221 0.000 1.041 277 V CA 2.220 64.310 62.300 -0.350 0.000 1.025 277 V CB -0.748 30.652 31.823 -0.705 0.000 0.656 277 V HN 0.437 nan 8.190 nan 0.000 0.451 278 T N -0.221 114.228 114.554 -0.174 0.000 2.788 278 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 278 T C 1.369 175.987 174.700 -0.137 0.000 1.044 278 T CA 1.644 63.685 62.100 -0.098 0.000 1.139 278 T CB -0.320 68.525 68.868 -0.038 0.000 0.867 278 T HN 0.412 nan 8.240 nan 0.000 0.454 279 D N 0.570 120.839 120.400 -0.217 0.000 2.340 279 D HA 0.075 4.714 4.640 -0.001 0.000 0.220 279 D C 0.546 176.514 176.300 -0.554 0.000 1.039 279 D CA 0.160 53.925 54.000 -0.392 0.000 0.866 279 D CB 0.062 40.551 40.800 -0.518 0.000 0.913 279 D HN 0.111 nan 8.370 nan 0.000 0.523 280 K N -0.420 119.776 120.400 -0.340 0.000 3.071 280 K HA -0.226 4.094 4.320 -0.001 0.000 0.265 280 K C 0.193 176.668 176.600 -0.208 0.000 1.060 280 K CA 0.433 56.582 56.287 -0.229 0.000 0.767 280 K CB -2.820 29.589 32.500 -0.152 0.000 1.241 280 K HN 0.562 nan 8.250 nan 0.000 0.486 281 H N -1.338 117.690 119.070 -0.070 0.000 2.548 281 H HA 0.102 4.657 4.556 -0.001 0.000 0.268 281 H C 1.019 176.301 175.328 -0.078 0.000 0.975 281 H CA 0.559 56.561 56.048 -0.077 0.000 1.195 281 H CB 0.554 30.259 29.762 -0.095 0.000 1.397 281 H HN 0.261 nan 8.280 nan 0.000 0.572 282 V N -2.808 117.108 119.914 0.002 0.000 2.962 282 V HA 0.193 4.312 4.120 -0.001 0.000 0.313 282 V C 0.615 176.692 176.094 -0.030 0.000 1.099 282 V CA -1.042 61.247 62.300 -0.018 0.000 0.971 282 V CB 2.519 34.312 31.823 -0.051 0.000 1.028 282 V HN 0.069 nan 8.190 nan 0.000 0.430 283 E N 2.015 122.218 120.200 0.004 0.000 2.097 283 E HA 0.212 4.561 4.350 -0.001 0.000 0.196 283 E C 0.942 177.530 176.600 -0.019 0.000 1.000 283 E CA 1.815 58.225 56.400 0.018 0.000 0.804 283 E CB -0.018 29.725 29.700 0.071 0.000 0.740 283 E HN 1.143 nan 8.360 nan 0.000 0.454 284 G N -1.891 106.880 108.800 -0.049 0.000 2.340 284 G HA2 0.074 4.034 3.960 -0.001 0.000 0.299 284 G HA3 0.074 4.034 3.960 -0.001 0.000 0.299 284 G C -1.009 173.832 174.900 -0.099 0.000 1.291 284 G CA -0.620 44.432 45.100 -0.079 0.000 0.841 284 G HN 0.126 nan 8.290 nan 0.000 0.500 285 W N 0.695 121.841 121.300 -0.256 0.000 2.325 285 W HA -0.023 4.636 4.660 -0.001 0.000 0.299 285 W C 2.305 178.687 176.519 -0.228 0.000 1.215 285 W CA 1.724 58.848 57.345 -0.369 0.000 1.244 285 W CB 0.206 29.041 29.460 -1.042 0.000 1.140 285 W HN 0.623 nan 8.180 nan 0.000 0.523 286 D N -0.645 119.784 120.400 0.048 0.000 2.319 286 D HA -0.078 4.562 4.640 -0.001 0.000 0.230 286 D C 0.165 176.457 176.300 -0.013 0.000 1.094 286 D CA 0.260 54.283 54.000 0.039 0.000 0.856 286 D CB -0.774 40.053 40.800 0.046 0.000 0.915 286 D HN 0.084 nan 8.370 nan 0.000 0.517 287 D N 1.834 122.222 120.400 -0.021 0.000 2.488 287 D HA -0.030 4.610 4.640 -0.001 0.000 0.238 287 D C -1.526 174.705 176.300 -0.114 0.000 1.138 287 D CA -1.317 52.656 54.000 -0.044 0.000 0.873 287 D CB 1.844 42.624 40.800 -0.032 0.000 1.183 287 D HN -0.068 nan 8.370 nan 0.000 0.458 288 P HA -0.050 nan 4.420 nan 0.000 0.231 288 P C 0.690 177.721 177.300 -0.449 0.000 1.158 288 P CA 0.945 63.773 63.100 -0.453 0.000 0.763 288 P CB 0.228 31.374 31.700 -0.923 0.000 0.805 289 R N -2.339 117.999 120.500 -0.269 0.000 2.223 289 R HA 0.200 4.539 4.340 -0.001 0.000 0.198 289 R C 0.751 177.004 176.300 -0.079 0.000 0.984 289 R CA 0.071 56.086 56.100 -0.142 0.000 1.018 289 R CB -0.182 30.084 30.300 -0.056 0.000 0.945 289 R HN 0.172 nan 8.270 nan 0.000 0.479 290 M N 2.836 122.399 119.600 -0.061 0.000 2.245 290 M HA 0.064 4.544 4.480 -0.001 0.000 0.344 290 M C -1.635 174.673 176.300 0.013 0.000 1.170 290 M CA -2.033 53.269 55.300 0.003 0.000 1.135 290 M CB 0.314 32.931 32.600 0.029 0.000 1.574 290 M HN -0.122 nan 8.290 nan 0.000 0.452 291 P HA 0.026 nan 4.420 nan 0.000 0.255 291 P C -0.046 177.327 177.300 0.122 0.000 1.357 291 P CA 0.173 63.299 63.100 0.042 0.000 0.839 291 P CB -0.556 31.174 31.700 0.051 0.000 1.356 292 T N -2.347 112.307 114.554 0.167 0.000 2.868 292 T HA 0.194 4.544 4.350 -0.001 0.000 0.292 292 T C 1.647 176.437 174.700 0.150 0.000 1.028 292 T CA -0.739 61.511 62.100 0.250 0.000 1.059 292 T CB 0.817 69.872 68.868 0.312 0.000 0.991 292 T HN -0.253 nan 8.240 nan 0.000 0.531 293 I N 1.704 122.381 120.570 0.177 0.000 2.142 293 I HA -0.182 3.987 4.170 -0.001 0.000 0.240 293 I C 2.971 179.057 176.117 -0.051 0.000 1.078 293 I CA 1.992 63.360 61.300 0.113 0.000 1.343 293 I CB -1.993 36.113 38.000 0.176 0.000 1.046 293 I HN 0.916 nan 8.210 nan 0.000 0.405 294 S N 1.141 116.835 115.700 -0.010 0.000 2.383 294 S HA -0.113 4.357 4.470 -0.001 0.000 0.229 294 S C 2.178 176.719 174.600 -0.099 0.000 1.030 294 S CA 1.208 59.351 58.200 -0.095 0.000 1.002 294 S CB -1.318 61.941 63.200 0.098 0.000 0.829 294 S HN 0.474 nan 8.310 nan 0.000 0.467 295 G N 1.766 110.557 108.800 -0.016 0.000 2.402 295 G HA2 0.035 3.995 3.960 -0.001 0.000 0.216 295 G HA3 0.035 3.995 3.960 -0.001 0.000 0.216 295 G C 1.453 176.298 174.900 -0.091 0.000 1.162 295 G CA 0.712 45.785 45.100 -0.045 0.000 0.777 295 G HN 0.496 nan 8.290 nan 0.000 0.539 296 L N -0.050 121.121 121.223 -0.086 0.000 2.083 296 L HA -0.016 4.324 4.340 -0.001 0.000 0.209 296 L C 2.904 179.776 176.870 0.003 0.000 1.083 296 L CA 1.184 55.976 54.840 -0.080 0.000 0.752 296 L CB -0.302 41.662 42.059 -0.158 0.000 0.899 296 L HN 0.219 nan 8.230 nan 0.000 0.433 297 R N 0.586 120.971 120.500 -0.192 0.000 2.070 297 R HA -0.214 4.126 4.340 -0.001 0.000 0.233 297 R C 2.481 178.679 176.300 -0.169 0.000 1.137 297 R CA 1.749 57.621 56.100 -0.379 0.000 0.945 297 R CB -0.242 29.452 30.300 -1.011 0.000 0.845 297 R HN 0.162 nan 8.270 nan 0.000 0.430 298 R N 0.049 120.451 120.500 -0.163 0.000 2.152 298 R HA -0.139 4.201 4.340 -0.001 0.000 0.232 298 R C 2.206 178.466 176.300 -0.066 0.000 1.117 298 R CA 1.460 57.499 56.100 -0.101 0.000 0.981 298 R CB -0.113 30.129 30.300 -0.096 0.000 0.870 298 R HN 0.069 nan 8.270 nan 0.000 0.451 299 R N -0.441 120.019 120.500 -0.066 0.000 2.189 299 R HA -0.015 4.325 4.340 -0.001 0.000 0.218 299 R C 0.987 177.301 176.300 0.024 0.000 1.074 299 R CA 1.690 57.753 56.100 -0.062 0.000 0.991 299 R CB -0.041 30.241 30.300 -0.029 0.000 0.883 299 R HN 0.413 nan 8.270 nan 0.000 0.457 300 G N -2.717 106.120 108.800 0.062 0.000 2.205 300 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.180 300 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.180 300 G C -0.522 174.402 174.900 0.039 0.000 1.004 300 G CA -0.143 44.981 45.100 0.040 0.000 0.670 300 G HN 0.225 nan 8.290 nan 0.000 0.496 301 Y N 2.570 122.897 120.300 0.045 0.000 2.425 301 Y HA 0.441 4.991 4.550 -0.000 0.000 0.331 301 Y C 1.590 177.634 175.900 0.240 0.000 1.157 301 Y CA 0.977 59.133 58.100 0.094 0.000 1.372 301 Y CB 0.954 39.471 38.460 0.095 0.000 1.253 301 Y HN 0.252 nan 8.280 nan 0.000 0.536 302 T N -0.503 114.185 114.554 0.222 0.000 2.909 302 T HA 0.495 4.845 4.350 -0.001 0.000 0.286 302 T C 1.140 175.840 174.700 0.000 0.000 1.002 302 T CA -0.417 61.758 62.100 0.124 0.000 1.074 302 T CB 1.614 70.463 68.868 -0.031 0.000 0.984 302 T HN 0.767 nan 8.240 nan 0.000 0.495 303 A N 2.303 124.831 122.820 -0.486 0.000 1.940 303 A HA 0.106 4.425 4.320 -0.001 0.000 0.219 303 A C 2.590 179.987 177.584 -0.311 0.000 1.176 303 A CA 1.907 53.488 52.037 -0.760 0.000 0.631 303 A CB -1.458 16.799 19.000 -1.238 0.000 0.814 303 A HN 1.261 nan 8.150 nan 0.000 0.446 304 A N 0.391 123.067 122.820 -0.241 0.000 1.877 304 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 304 A C 2.543 180.104 177.584 -0.038 0.000 1.186 304 A CA 2.460 54.412 52.037 -0.141 0.000 0.620 304 A CB -1.120 17.801 19.000 -0.132 0.000 0.822 304 A HN 1.074 nan 8.150 nan 0.000 0.443 305 S N 0.209 115.910 115.700 0.002 0.000 2.383 305 S HA -0.163 4.307 4.470 -0.001 0.000 0.229 305 S C 1.875 176.576 174.600 0.169 0.000 1.030 305 S CA 1.572 59.820 58.200 0.079 0.000 1.002 305 S CB -0.809 62.443 63.200 0.085 0.000 0.829 305 S HN 0.482 nan 8.310 nan 0.000 0.467 306 I N 1.607 122.283 120.570 0.176 0.000 2.252 306 I HA -0.126 4.044 4.170 -0.001 0.000 0.245 306 I C 3.050 179.296 176.117 0.217 0.000 1.102 306 I CA 1.220 62.653 61.300 0.222 0.000 1.385 306 I CB -0.312 37.815 38.000 0.211 0.000 1.064 306 I HN 0.253 nan 8.210 nan 0.000 0.414 307 R N 0.351 120.922 120.500 0.118 0.000 2.148 307 R HA -0.200 4.140 4.340 -0.001 0.000 0.227 307 R C 2.148 178.511 176.300 0.105 0.000 1.103 307 R CA 1.227 57.395 56.100 0.112 0.000 0.983 307 R CB -0.211 30.115 30.300 0.043 0.000 0.874 307 R HN 0.282 nan 8.270 nan 0.000 0.451 308 E N 0.632 120.898 120.200 0.110 0.000 2.107 308 E HA -0.164 4.186 4.350 -0.001 0.000 0.191 308 E C 1.501 178.194 176.600 0.155 0.000 0.982 308 E CA 0.929 57.390 56.400 0.102 0.000 0.809 308 E CB -0.254 29.499 29.700 0.089 0.000 0.756 308 E HN 0.205 nan 8.360 nan 0.000 0.459 309 F N 0.496 120.480 119.950 0.057 0.000 2.102 309 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 309 F C 2.112 177.945 175.800 0.055 0.000 1.105 309 F CA 1.507 59.545 58.000 0.063 0.000 1.239 309 F CB -0.822 38.225 39.000 0.079 0.000 0.991 309 F HN 0.156 nan 8.300 nan 0.000 0.474 310 C N 0.859 120.153 119.300 -0.010 0.000 2.413 310 C HA -0.177 4.283 4.460 -0.001 0.000 0.276 310 C C 2.792 177.712 174.990 -0.117 0.000 1.248 310 C CA 1.456 60.402 59.018 -0.120 0.000 1.742 310 C CB -1.243 26.509 27.740 0.019 0.000 2.017 310 C HN 0.550 nan 8.230 nan 0.000 0.481 311 K N 0.634 121.010 120.400 -0.040 0.000 2.026 311 K HA -0.150 4.169 4.320 -0.001 0.000 0.208 311 K C 2.309 178.876 176.600 -0.055 0.000 1.048 311 K CA 1.405 57.673 56.287 -0.031 0.000 0.929 311 K CB -0.177 32.325 32.500 0.004 0.000 0.713 311 K HN 0.447 nan 8.250 nan 0.000 0.439 312 R N 0.720 121.184 120.500 -0.060 0.000 2.075 312 R HA -0.073 4.267 4.340 -0.001 0.000 0.232 312 R C 2.505 178.737 176.300 -0.114 0.000 1.126 312 R CA 1.755 57.821 56.100 -0.056 0.000 0.963 312 R CB -0.566 29.736 30.300 0.003 0.000 0.858 312 R HN 0.456 nan 8.270 nan 0.000 0.435 313 I N -1.672 118.743 120.570 -0.258 0.000 2.454 313 I HA 0.083 4.253 4.170 -0.001 0.000 0.254 313 I C 1.038 177.080 176.117 -0.125 0.000 1.156 313 I CA 0.953 62.100 61.300 -0.256 0.000 1.433 313 I CB -0.719 36.989 38.000 -0.486 0.000 1.082 313 I HN 0.215 nan 8.210 nan 0.000 0.432 314 G N 0.644 109.383 108.800 -0.102 0.000 2.760 314 G HA2 -0.128 3.832 3.960 -0.001 0.000 0.246 314 G HA3 -0.128 3.832 3.960 -0.001 0.000 0.246 314 G C -0.712 174.179 174.900 -0.014 0.000 1.359 314 G CA -0.363 44.712 45.100 -0.042 0.000 0.861 314 G HN 0.407 nan 8.290 nan 0.000 0.541 315 V N 1.856 121.793 119.914 0.039 0.000 2.462 315 V HA 0.778 4.898 4.120 -0.001 0.000 0.288 315 V C 0.587 176.867 176.094 0.310 0.000 1.020 315 V CA 0.575 62.940 62.300 0.108 0.000 0.857 315 V CB 1.029 32.818 31.823 -0.056 0.000 1.013 315 V HN 1.830 nan 8.190 nan 0.000 0.431 316 T N 1.318 116.062 114.554 0.317 0.000 2.618 316 T HA 0.530 4.879 4.350 -0.001 0.000 0.286 316 T C 0.170 174.912 174.700 0.070 0.000 1.027 316 T CA -0.656 61.538 62.100 0.156 0.000 1.063 316 T CB 2.321 71.197 68.868 0.014 0.000 1.440 316 T HN 0.316 nan 8.240 nan 0.000 0.505 317 K N -0.098 120.185 120.400 -0.195 0.000 2.374 317 K HA 0.247 4.567 4.320 -0.001 0.000 0.202 317 K C 0.318 176.876 176.600 -0.070 0.000 1.040 317 K CA -0.132 56.076 56.287 -0.133 0.000 1.085 317 K CB 0.558 32.895 32.500 -0.271 0.000 0.873 317 K HN 0.460 nan 8.250 nan 0.000 0.539 318 Q N 1.654 121.422 119.800 -0.053 0.000 2.288 318 Q HA 0.083 4.422 4.340 -0.001 0.000 0.254 318 Q C -0.606 175.385 176.000 -0.014 0.000 0.932 318 Q CA -0.200 55.581 55.803 -0.036 0.000 0.902 318 Q CB 1.025 29.743 28.738 -0.033 0.000 1.203 318 Q HN 0.104 nan 8.270 nan 0.000 0.415 319 D N 2.248 122.635 120.400 -0.022 0.000 2.382 319 D HA 0.078 4.718 4.640 -0.001 0.000 0.240 319 D C -0.271 176.022 176.300 -0.012 0.000 1.146 319 D CA 0.569 54.557 54.000 -0.020 0.000 0.897 319 D CB 0.623 41.404 40.800 -0.032 0.000 1.197 319 D HN 0.589 nan 8.370 nan 0.000 0.432 320 N N -1.899 116.797 118.700 -0.007 0.000 2.710 320 N HA 0.407 5.147 4.740 -0.001 0.000 0.257 320 N C -1.770 173.741 175.510 0.003 0.000 1.327 320 N CA -0.800 52.250 53.050 0.001 0.000 0.861 320 N CB 1.608 40.102 38.487 0.011 0.000 1.532 320 N HN 0.029 nan 8.380 nan 0.000 0.499 321 T N 1.106 115.665 114.554 0.009 0.000 2.985 321 T HA 0.403 4.753 4.350 -0.001 0.000 0.315 321 T C -0.730 173.998 174.700 0.046 0.000 1.001 321 T CA -0.273 61.837 62.100 0.015 0.000 1.016 321 T CB 0.184 69.044 68.868 -0.014 0.000 0.993 321 T HN 0.450 nan 8.240 nan 0.000 0.454 322 I N 2.965 123.589 120.570 0.089 0.000 2.519 322 I HA 0.201 4.370 4.170 -0.001 0.000 0.287 322 I C 0.916 177.123 176.117 0.150 0.000 1.047 322 I CA -0.180 61.206 61.300 0.144 0.000 1.381 322 I CB 0.642 38.795 38.000 0.256 0.000 1.417 322 I HN 0.550 nan 8.210 nan 0.000 0.540 323 E N 5.089 125.379 120.200 0.149 0.000 2.349 323 E HA 0.117 4.467 4.350 -0.001 0.000 0.265 323 E C 0.675 177.371 176.600 0.160 0.000 1.064 323 E CA -0.623 55.865 56.400 0.147 0.000 0.886 323 E CB 0.680 30.457 29.700 0.128 0.000 1.036 323 E HN 0.469 nan 8.360 nan 0.000 0.413 324 M N 1.218 120.917 119.600 0.164 0.000 2.202 324 M HA -0.173 4.307 4.480 -0.001 0.000 0.262 324 M C 1.977 178.331 176.300 0.090 0.000 1.063 324 M CA 1.399 56.769 55.300 0.117 0.000 1.097 324 M CB -1.174 31.502 32.600 0.127 0.000 1.382 324 M HN 0.725 nan 8.290 nan 0.000 0.413 325 A N -1.184 121.698 122.820 0.105 0.000 2.024 325 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 325 A C 2.471 180.119 177.584 0.106 0.000 1.164 325 A CA 2.075 54.168 52.037 0.093 0.000 0.643 325 A CB -0.709 18.345 19.000 0.089 0.000 0.806 325 A HN 0.498 nan 8.150 nan 0.000 0.451 326 S N -0.888 114.899 115.700 0.145 0.000 2.371 326 S HA -0.007 4.463 4.470 -0.001 0.000 0.224 326 S C 1.898 176.617 174.600 0.199 0.000 1.029 326 S CA 1.064 59.391 58.200 0.211 0.000 0.978 326 S CB -0.356 63.040 63.200 0.326 0.000 0.833 326 S HN 0.543 nan 8.310 nan 0.000 0.466 327 L N 1.049 122.285 121.223 0.021 0.000 2.056 327 L HA -0.071 4.269 4.340 -0.001 0.000 0.207 327 L C 2.435 179.335 176.870 0.049 0.000 1.078 327 L CA 1.623 56.319 54.840 -0.241 0.000 0.749 327 L CB -0.473 41.269 42.059 -0.529 0.000 0.901 327 L HN 0.444 nan 8.230 nan 0.000 0.433 328 E N -0.962 119.282 120.200 0.073 0.000 2.118 328 E HA -0.248 4.102 4.350 -0.001 0.000 0.195 328 E C 2.209 178.833 176.600 0.041 0.000 0.992 328 E CA 1.432 57.877 56.400 0.076 0.000 0.804 328 E CB -0.098 29.642 29.700 0.067 0.000 0.741 328 E HN 0.346 nan 8.360 nan 0.000 0.458 329 S N 0.083 115.822 115.700 0.065 0.000 2.368 329 S HA -0.177 4.293 4.470 -0.001 0.000 0.225 329 S C 2.146 176.770 174.600 0.040 0.000 1.030 329 S CA 1.225 59.460 58.200 0.058 0.000 0.999 329 S CB -0.328 62.921 63.200 0.082 0.000 0.844 329 S HN 0.400 nan 8.310 nan 0.000 0.459 330 C N 0.717 120.062 119.300 0.075 0.000 2.436 330 C HA 0.016 4.476 4.460 -0.001 0.000 0.277 330 C C 2.436 177.415 174.990 -0.018 0.000 1.241 330 C CA 0.714 59.776 59.018 0.073 0.000 1.721 330 C CB -1.441 26.398 27.740 0.166 0.000 2.043 330 C HN 0.701 nan 8.230 nan 0.000 0.472 331 I N 0.850 121.374 120.570 -0.077 0.000 2.493 331 I HA -0.105 4.064 4.170 -0.001 0.000 0.254 331 I C 2.588 178.490 176.117 -0.358 0.000 1.160 331 I CA 1.433 62.557 61.300 -0.294 0.000 1.445 331 I CB -0.509 37.052 38.000 -0.731 0.000 1.086 331 I HN 0.205 nan 8.210 nan 0.000 0.433 332 R N 0.007 120.357 120.500 -0.249 0.000 2.066 332 R HA -0.177 4.163 4.340 -0.001 0.000 0.232 332 R C 2.250 178.427 176.300 -0.205 0.000 1.131 332 R CA 1.585 57.530 56.100 -0.258 0.000 0.955 332 R CB -0.435 29.847 30.300 -0.030 0.000 0.851 332 R HN 0.501 nan 8.270 nan 0.000 0.432 333 E N 0.941 121.080 120.200 -0.102 0.000 2.038 333 E HA -0.264 4.086 4.350 -0.001 0.000 0.195 333 E C 1.594 178.141 176.600 -0.088 0.000 1.000 333 E CA 1.878 58.244 56.400 -0.056 0.000 0.803 333 E CB -0.077 29.611 29.700 -0.020 0.000 0.750 333 E HN 0.142 nan 8.360 nan 0.000 0.448 334 D N 0.022 120.347 120.400 -0.125 0.000 2.095 334 D HA -0.179 4.460 4.640 -0.001 0.000 0.192 334 D C 2.075 178.274 176.300 -0.169 0.000 0.990 334 D CA 1.115 55.038 54.000 -0.128 0.000 0.836 334 D CB -0.333 40.386 40.800 -0.134 0.000 0.979 334 D HN 0.181 nan 8.370 nan 0.000 0.447 335 L N 1.026 122.057 121.223 -0.319 0.000 2.081 335 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 335 L C 2.170 178.898 176.870 -0.237 0.000 1.080 335 L CA 1.593 56.188 54.840 -0.409 0.000 0.754 335 L CB -1.579 39.959 42.059 -0.868 0.000 0.893 335 L HN 0.266 nan 8.230 nan 0.000 0.433 336 N N -0.691 117.886 118.700 -0.205 0.000 2.149 336 N HA -0.225 4.514 4.740 -0.001 0.000 0.188 336 N C 1.853 177.485 175.510 0.204 0.000 1.019 336 N CA 1.335 54.462 53.050 0.128 0.000 0.857 336 N CB -0.007 38.556 38.487 0.126 0.000 0.997 336 N HN 0.237 nan 8.380 nan 0.000 0.426 337 E N -0.560 119.704 120.200 0.106 0.000 2.170 337 E HA 0.010 4.359 4.350 -0.001 0.000 0.191 337 E C 0.707 177.371 176.600 0.107 0.000 0.981 337 E CA 0.592 57.057 56.400 0.108 0.000 0.830 337 E CB 0.030 29.739 29.700 0.014 0.000 0.775 337 E HN 0.507 nan 8.360 nan 0.000 0.470 338 N N -0.167 118.578 118.700 0.074 0.000 2.516 338 N HA 0.072 4.811 4.740 -0.001 0.000 0.197 338 N C 0.230 175.788 175.510 0.080 0.000 1.064 338 N CA 0.357 53.436 53.050 0.049 0.000 0.866 338 N CB 0.002 38.475 38.487 -0.023 0.000 1.255 338 N HN -0.067 nan 8.380 nan 0.000 0.447 339 A N 3.924 126.787 122.820 0.071 0.000 2.491 339 A HA 0.255 4.575 4.320 -0.001 0.000 0.261 339 A C -2.168 175.494 177.584 0.130 0.000 1.101 339 A CA -0.785 51.295 52.037 0.072 0.000 0.772 339 A CB -0.281 18.797 19.000 0.130 0.000 1.043 339 A HN 0.039 nan 8.150 nan 0.000 0.501 340 P HA 0.235 nan 4.420 nan 0.000 0.276 340 P C -0.438 176.975 177.300 0.187 0.000 1.230 340 P CA -0.249 62.941 63.100 0.150 0.000 0.776 340 P CB 0.812 32.607 31.700 0.159 0.000 0.888 341 R N 1.798 122.352 120.500 0.091 0.000 2.707 341 R HA 0.665 5.004 4.340 -0.001 0.000 0.270 341 R C 0.560 176.921 176.300 0.102 0.000 1.083 341 R CA 0.166 56.309 56.100 0.071 0.000 1.182 341 R CB -0.019 30.256 30.300 -0.040 0.000 1.084 341 R HN 0.666 nan 8.270 nan 0.000 0.528 342 A N 0.548 123.398 122.820 0.051 0.000 2.506 342 A HA 0.705 5.025 4.320 -0.001 0.000 0.305 342 A C -1.658 175.772 177.584 -0.257 0.000 1.166 342 A CA -0.747 51.241 52.037 -0.081 0.000 0.638 342 A CB 1.152 20.114 19.000 -0.063 0.000 1.336 342 A HN 0.405 nan 8.150 nan 0.000 0.493 343 M N -0.100 119.238 119.600 -0.437 0.000 2.321 343 M HA 0.769 5.248 4.480 -0.001 0.000 0.315 343 M C -0.351 175.532 176.300 -0.695 0.000 1.052 343 M CA -0.551 54.448 55.300 -0.502 0.000 0.936 343 M CB 0.800 33.080 32.600 -0.534 0.000 1.639 343 M HN 1.534 nan 8.290 nan 0.000 0.433 344 A N 2.564 125.003 122.820 -0.635 0.000 2.566 344 A HA 0.801 5.121 4.320 -0.001 0.000 0.297 344 A C -1.559 175.865 177.584 -0.268 0.000 1.059 344 A CA -0.651 50.968 52.037 -0.696 0.000 0.691 344 A CB 1.600 19.729 19.000 -1.450 0.000 1.282 344 A HN 0.517 nan 8.150 nan 0.000 0.401 345 V N 3.349 123.157 119.914 -0.176 0.000 2.444 345 V HA 0.304 4.423 4.120 -0.001 0.000 0.294 345 V C 0.462 176.495 176.094 -0.102 0.000 1.022 345 V CA -0.183 62.105 62.300 -0.019 0.000 0.850 345 V CB 1.147 32.982 31.823 0.020 0.000 0.992 345 V HN 0.874 nan 8.190 nan 0.000 0.426 346 I N 1.764 122.312 120.570 -0.035 0.000 2.235 346 I HA 0.050 4.220 4.170 -0.001 0.000 0.241 346 I C 1.021 177.096 176.117 -0.070 0.000 1.085 346 I CA 1.354 62.620 61.300 -0.057 0.000 1.378 346 I CB 0.108 38.116 38.000 0.014 0.000 1.076 346 I HN 0.557 nan 8.210 nan 0.000 0.415 347 D N 2.385 122.772 120.400 -0.021 0.000 2.479 347 D HA 0.238 4.877 4.640 -0.001 0.000 0.247 347 D C -2.376 173.915 176.300 -0.015 0.000 1.119 347 D CA -1.446 52.539 54.000 -0.023 0.000 0.922 347 D CB 0.989 41.799 40.800 0.016 0.000 1.014 347 D HN 0.102 nan 8.370 nan 0.000 0.510 348 P HA 0.108 nan 4.420 nan 0.000 0.280 348 P C -0.449 176.898 177.300 0.079 0.000 1.244 348 P CA -0.413 62.651 63.100 -0.061 0.000 0.784 348 P CB 2.115 33.557 31.700 -0.429 0.000 0.913 349 V N 3.743 123.823 119.914 0.277 0.000 2.668 349 V HA 0.288 4.407 4.120 -0.001 0.000 0.304 349 V C -0.160 176.110 176.094 0.292 0.000 1.071 349 V CA -1.112 61.343 62.300 0.260 0.000 0.894 349 V CB 1.813 33.690 31.823 0.090 0.000 1.008 349 V HN 0.498 nan 8.190 nan 0.000 0.425 350 K N 5.326 125.828 120.400 0.170 0.000 2.451 350 K HA 0.342 4.662 4.320 -0.001 0.000 0.280 350 K C -0.804 175.571 176.600 -0.375 0.000 1.020 350 K CA -0.079 56.007 56.287 -0.336 0.000 1.008 350 K CB 0.608 32.747 32.500 -0.601 0.000 0.917 350 K HN 0.714 nan 8.250 nan 0.000 0.478 351 L N 6.694 127.670 121.223 -0.412 0.000 2.401 351 L HA 0.285 4.625 4.340 -0.001 0.000 0.263 351 L C -1.045 175.568 176.870 -0.429 0.000 1.004 351 L CA -0.934 53.666 54.840 -0.400 0.000 0.881 351 L CB 1.253 43.147 42.059 -0.275 0.000 1.219 351 L HN 0.463 nan 8.230 nan 0.000 0.441 352 V N 2.711 122.343 119.914 -0.470 0.000 2.406 352 V HA 0.435 4.555 4.120 -0.001 0.000 0.272 352 V C 0.378 176.349 176.094 -0.205 0.000 1.043 352 V CA -0.476 61.606 62.300 -0.363 0.000 0.915 352 V CB 0.984 32.612 31.823 -0.325 0.000 0.988 352 V HN 0.558 nan 8.190 nan 0.000 0.466 353 I N 4.474 124.924 120.570 -0.200 0.000 2.347 353 I HA 0.211 4.381 4.170 -0.001 0.000 0.294 353 I C 1.293 177.424 176.117 0.023 0.000 1.090 353 I CA 0.155 61.412 61.300 -0.072 0.000 1.314 353 I CB 0.641 38.564 38.000 -0.130 0.000 1.423 353 I HN 0.767 nan 8.210 nan 0.000 0.503 354 E N 3.961 124.215 120.200 0.091 0.000 2.347 354 E HA -0.143 4.207 4.350 -0.001 0.000 0.196 354 E C 1.484 178.149 176.600 0.110 0.000 1.008 354 E CA 0.340 56.800 56.400 0.100 0.000 0.852 354 E CB 0.031 29.793 29.700 0.104 0.000 0.783 354 E HN 0.599 nan 8.360 nan 0.000 0.505 355 N N 0.159 118.959 118.700 0.167 0.000 2.461 355 N HA -0.088 4.651 4.740 -0.001 0.000 0.188 355 N C -0.668 175.048 175.510 0.344 0.000 1.134 355 N CA 0.082 53.267 53.050 0.225 0.000 0.878 355 N CB 0.293 38.939 38.487 0.265 0.000 0.972 355 N HN 0.080 nan 8.380 nan 0.000 0.456 356 Y N 2.441 122.777 120.300 0.059 0.000 2.326 356 Y HA 0.144 4.694 4.550 -0.001 0.000 0.337 356 Y C 0.048 175.927 175.900 -0.034 0.000 1.023 356 Y CA -0.578 57.475 58.100 -0.079 0.000 1.143 356 Y CB 0.676 38.942 38.460 -0.323 0.000 1.183 356 Y HN 0.089 nan 8.280 nan 0.000 0.485 357 Q N 5.142 124.741 119.800 -0.335 0.000 2.274 357 Q HA 0.702 5.041 4.340 -0.001 0.000 0.260 357 Q C -0.142 175.709 176.000 -0.248 0.000 0.974 357 Q CA -0.016 55.670 55.803 -0.195 0.000 0.876 357 Q CB 1.985 30.642 28.738 -0.134 0.000 1.297 357 Q HN 0.960 nan 8.270 nan 0.000 0.446 358 G N 2.418 111.174 108.800 -0.073 0.000 2.500 358 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.209 358 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.209 358 G C -0.143 174.801 174.900 0.073 0.000 1.283 358 G CA 0.034 45.125 45.100 -0.015 0.000 0.960 358 G HN 0.564 nan 8.290 nan 0.000 0.528 359 E N 0.344 120.603 120.200 0.098 0.000 2.413 359 E HA 0.415 4.764 4.350 -0.001 0.000 0.203 359 E C 1.181 177.887 176.600 0.176 0.000 0.957 359 E CA 1.366 57.829 56.400 0.106 0.000 0.950 359 E CB 1.203 30.946 29.700 0.071 0.000 0.957 359 E HN 1.913 nan 8.360 nan 0.000 0.497 360 G N 1.283 110.234 108.800 0.253 0.000 2.352 360 G HA2 0.216 4.176 3.960 -0.001 0.000 0.302 360 G HA3 0.216 4.176 3.960 -0.001 0.000 0.302 360 G C -1.361 173.700 174.900 0.268 0.000 1.370 360 G CA -0.355 44.923 45.100 0.296 0.000 0.918 360 G HN 0.051 nan 8.290 nan 0.000 0.610 361 E N -1.994 118.370 120.200 0.272 0.000 2.421 361 E HA 0.811 5.160 4.350 -0.001 0.000 0.265 361 E C -1.296 175.394 176.600 0.149 0.000 0.990 361 E CA -1.199 55.328 56.400 0.212 0.000 0.874 361 E CB 1.847 31.713 29.700 0.276 0.000 1.646 361 E HN 0.503 nan 8.360 nan 0.000 0.451 362 M N 1.966 121.632 119.600 0.110 0.000 2.197 362 M HA 0.312 4.792 4.480 -0.001 0.000 0.301 362 M C -1.286 175.054 176.300 0.066 0.000 0.987 362 M CA -0.691 54.652 55.300 0.072 0.000 0.921 362 M CB 2.058 34.676 32.600 0.030 0.000 1.569 362 M HN 0.555 nan 8.290 nan 0.000 0.431 363 V N 0.663 120.627 119.914 0.083 0.000 2.834 363 V HA 0.781 4.901 4.120 -0.001 0.000 0.313 363 V C -0.133 175.978 176.094 0.028 0.000 1.060 363 V CA -0.523 61.797 62.300 0.034 0.000 0.989 363 V CB 1.624 33.468 31.823 0.034 0.000 1.041 363 V HN 0.768 nan 8.190 nan 0.000 0.459 364 T N 4.995 119.551 114.554 0.004 0.000 2.806 364 T HA 0.636 4.986 4.350 -0.001 0.000 0.290 364 T C -0.270 174.436 174.700 0.011 0.000 0.966 364 T CA -0.070 62.034 62.100 0.007 0.000 1.060 364 T CB 0.562 69.430 68.868 0.002 0.000 0.927 364 T HN 0.707 nan 8.240 nan 0.000 0.485 365 M N 4.318 123.925 119.600 0.011 0.000 2.267 365 M HA 0.335 4.814 4.480 -0.001 0.000 0.289 365 M C -2.692 173.620 176.300 0.019 0.000 1.043 365 M CA -2.205 53.101 55.300 0.009 0.000 0.928 365 M CB 2.724 35.315 32.600 -0.014 0.000 1.613 365 M HN 0.218 nan 8.290 nan 0.000 0.450 366 P HA 0.116 nan 4.420 nan 0.000 0.271 366 P C -0.149 177.188 177.300 0.061 0.000 1.216 366 P CA -0.103 63.026 63.100 0.049 0.000 0.771 366 P CB 0.543 32.277 31.700 0.057 0.000 0.864 367 N N 0.808 119.559 118.700 0.085 0.000 2.550 367 N HA -0.097 4.643 4.740 -0.001 0.000 0.186 367 N C -0.171 175.432 175.510 0.154 0.000 1.110 367 N CA 0.931 54.046 53.050 0.108 0.000 0.912 367 N CB -0.332 38.223 38.487 0.113 0.000 0.968 367 N HN 0.602 nan 8.380 nan 0.000 0.448 368 H N -1.818 117.279 119.070 0.045 0.000 3.184 368 H HA 0.162 4.719 4.556 0.001 0.000 0.317 368 H C -2.193 173.156 175.328 0.035 0.000 1.065 368 H CA -0.947 55.128 56.048 0.045 0.000 1.462 368 H CB 1.871 31.659 29.762 0.043 0.000 2.037 368 H HN -0.179 nan 8.280 nan 0.000 0.431 369 P HA -0.106 nan 4.420 nan 0.000 0.216 369 P C 0.522 177.930 177.300 0.181 0.000 1.150 369 P CA 1.145 64.323 63.100 0.130 0.000 0.837 369 P CB 0.327 32.064 31.700 0.061 0.000 0.786 370 N N -1.337 117.563 118.700 0.332 0.000 2.336 370 N HA 0.047 4.787 4.740 -0.001 0.000 0.189 370 N C -0.084 175.460 175.510 0.056 0.000 1.113 370 N CA 0.514 53.679 53.050 0.192 0.000 0.858 370 N CB 0.053 38.658 38.487 0.195 0.000 0.970 370 N HN 0.127 nan 8.380 nan 0.000 0.471 371 K N 0.439 120.861 120.400 0.037 0.000 2.814 371 K HA 0.199 4.518 4.320 -0.001 0.000 0.205 371 K C -2.104 174.493 176.600 -0.005 0.000 1.093 371 K CA -1.222 54.992 56.287 -0.122 0.000 1.035 371 K CB 2.270 34.491 32.500 -0.466 0.000 1.220 371 K HN -0.082 nan 8.250 nan 0.000 0.576 372 P HA -0.234 nan 4.420 nan 0.000 0.225 372 P C 0.716 178.026 177.300 0.017 0.000 1.148 372 P CA 1.146 64.264 63.100 0.029 0.000 0.779 372 P CB 0.372 32.085 31.700 0.023 0.000 0.780 373 E N -0.109 120.089 120.200 -0.004 0.000 2.418 373 E HA -0.096 4.254 4.350 -0.001 0.000 0.197 373 E C 1.699 178.301 176.600 0.002 0.000 1.026 373 E CA 0.651 57.047 56.400 -0.006 0.000 0.862 373 E CB -0.777 28.910 29.700 -0.022 0.000 0.799 373 E HN 0.324 nan 8.360 nan 0.000 0.518 374 M N 0.703 120.310 119.600 0.012 0.000 2.558 374 M HA 0.119 4.599 4.480 -0.001 0.000 0.255 374 M C 0.905 177.235 176.300 0.050 0.000 1.113 374 M CA 0.903 56.224 55.300 0.035 0.000 1.097 374 M CB 0.165 32.806 32.600 0.068 0.000 1.426 374 M HN 0.302 nan 8.290 nan 0.000 0.488 375 G N 0.029 108.856 108.800 0.045 0.000 2.610 375 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.304 375 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.304 375 G C -0.878 174.052 174.900 0.051 0.000 1.309 375 G CA -0.702 44.424 45.100 0.044 0.000 0.906 375 G HN 0.318 nan 8.290 nan 0.000 0.521 376 S N -0.750 114.976 115.700 0.043 0.000 2.588 376 S HA 0.862 5.332 4.470 -0.001 0.000 0.275 376 S C 0.036 174.657 174.600 0.035 0.000 1.130 376 S CA -0.249 57.974 58.200 0.039 0.000 0.855 376 S CB 2.033 65.251 63.200 0.030 0.000 1.116 376 S HN 1.060 nan 8.310 nan 0.000 0.472 377 R N 0.280 120.797 120.500 0.028 0.000 2.912 377 R HA 0.722 5.062 4.340 -0.001 0.000 0.262 377 R C -1.538 174.769 176.300 0.012 0.000 1.057 377 R CA -1.016 55.097 56.100 0.022 0.000 0.981 377 R CB 0.806 31.119 30.300 0.022 0.000 1.201 377 R HN 0.372 nan 8.270 nan 0.000 0.484 378 Q N 1.198 121.003 119.800 0.008 0.000 2.466 378 Q HA 0.312 4.651 4.340 -0.001 0.000 0.242 378 Q C -1.408 174.587 176.000 -0.008 0.000 1.046 378 Q CA -0.453 55.354 55.803 0.006 0.000 0.841 378 Q CB 1.751 30.494 28.738 0.009 0.000 1.193 378 Q HN 0.494 nan 8.270 nan 0.000 0.508 379 V N 6.314 126.226 119.914 -0.004 0.000 2.407 379 V HA 0.472 4.592 4.120 -0.001 0.000 0.278 379 V C -2.040 174.082 176.094 0.047 0.000 1.037 379 V CA -1.889 60.398 62.300 -0.022 0.000 0.900 379 V CB 1.312 33.084 31.823 -0.085 0.000 0.983 379 V HN 0.698 nan 8.190 nan 0.000 0.459 380 P HA 0.140 nan 4.420 nan 0.000 0.271 380 P C -0.977 176.466 177.300 0.238 0.000 1.220 380 P CA 0.109 63.166 63.100 -0.071 0.000 0.768 380 P CB 0.624 31.950 31.700 -0.623 0.000 0.848 381 F N 3.006 123.015 119.950 0.099 0.000 2.507 381 F HA 0.568 5.095 4.527 -0.000 0.000 0.327 381 F C -0.003 175.720 175.800 -0.128 0.000 1.068 381 F CA 0.250 58.269 58.000 0.032 0.000 0.965 381 F CB 1.987 40.963 39.000 -0.041 0.000 1.192 381 F HN 0.542 nan 8.300 nan 0.000 0.476 382 S N 1.536 116.546 115.700 -1.149 0.000 2.703 382 S HA 0.474 4.943 4.470 -0.001 0.000 0.273 382 S C 0.158 173.879 174.600 -1.465 0.000 1.178 382 S CA -0.308 57.331 58.200 -0.935 0.000 0.838 382 S CB 0.924 63.899 63.200 -0.374 0.000 1.178 382 S HN 0.951 nan 8.310 nan 0.000 0.494 383 G N -0.436 107.786 108.800 -0.963 0.000 2.551 383 G HA2 0.227 4.187 3.960 -0.001 0.000 0.216 383 G HA3 0.227 4.187 3.960 -0.001 0.000 0.216 383 G C 0.018 174.590 174.900 -0.546 0.000 1.137 383 G CA 0.069 44.747 45.100 -0.703 0.000 0.798 383 G HN 0.690 nan 8.290 nan 0.000 0.536 384 E N 0.875 120.761 120.200 -0.524 0.000 2.101 384 E HA 0.421 4.771 4.350 -0.001 0.000 0.260 384 E C -0.293 175.942 176.600 -0.608 0.000 0.897 384 E CA -0.369 55.714 56.400 -0.528 0.000 0.744 384 E CB 1.417 30.840 29.700 -0.463 0.000 1.140 384 E HN 0.493 nan 8.360 nan 0.000 0.419 385 I N -1.900 118.303 120.570 -0.612 0.000 3.133 385 I HA 0.650 4.820 4.170 -0.001 0.000 0.311 385 I C -0.803 175.044 176.117 -0.450 0.000 1.072 385 I CA -1.279 59.735 61.300 -0.476 0.000 1.015 385 I CB 1.606 39.363 38.000 -0.404 0.000 1.233 385 I HN 0.314 nan 8.210 nan 0.000 0.473 386 W N 2.814 124.055 121.300 -0.097 0.000 2.666 386 W HA 0.759 5.418 4.660 -0.001 0.000 0.334 386 W C -0.435 176.074 176.519 -0.017 0.000 1.051 386 W CA -0.644 56.648 57.345 -0.088 0.000 1.224 386 W CB 2.011 31.421 29.460 -0.084 0.000 1.405 386 W HN 0.479 nan 8.180 nan 0.000 0.513 387 I N -1.006 119.719 120.570 0.258 0.000 3.074 387 I HA 0.538 4.708 4.170 -0.001 0.000 0.310 387 I C -0.875 175.277 176.117 0.058 0.000 1.153 387 I CA -1.148 60.207 61.300 0.091 0.000 0.993 387 I CB 1.969 39.997 38.000 0.046 0.000 1.237 387 I HN 0.108 nan 8.210 nan 0.000 0.443 388 D N 2.021 122.392 120.400 -0.049 0.000 2.308 388 D HA 0.244 4.884 4.640 -0.001 0.000 0.251 388 D C 0.936 177.282 176.300 0.077 0.000 1.127 388 D CA -0.068 53.941 54.000 0.015 0.000 0.876 388 D CB 1.541 42.350 40.800 0.016 0.000 1.176 388 D HN 0.554 nan 8.370 nan 0.000 0.446 389 R N 2.582 123.139 120.500 0.095 0.000 2.200 389 R HA -0.130 4.210 4.340 -0.001 0.000 0.234 389 R C 1.584 177.978 176.300 0.155 0.000 1.127 389 R CA 1.244 57.423 56.100 0.131 0.000 0.989 389 R CB -0.050 30.310 30.300 0.100 0.000 0.869 389 R HN 0.409 nan 8.270 nan 0.000 0.459 390 A N 0.814 123.714 122.820 0.133 0.000 2.206 390 A HA -0.069 4.250 4.320 -0.001 0.000 0.211 390 A C 0.961 178.661 177.584 0.194 0.000 1.158 390 A CA 0.911 53.038 52.037 0.150 0.000 0.761 390 A CB 0.092 19.168 19.000 0.127 0.000 0.801 390 A HN 0.114 nan 8.150 nan 0.000 0.473 391 D N -1.485 119.020 120.400 0.174 0.000 2.240 391 D HA 0.110 4.749 4.640 -0.001 0.000 0.206 391 D C 0.115 176.586 176.300 0.286 0.000 0.963 391 D CA 0.396 54.493 54.000 0.161 0.000 0.863 391 D CB 0.002 40.844 40.800 0.070 0.000 0.973 391 D HN 0.415 nan 8.370 nan 0.000 0.501 392 F N 1.296 121.335 119.950 0.149 0.000 2.408 392 F HA 0.510 5.037 4.527 -0.001 0.000 0.344 392 F C -0.119 175.763 175.800 0.137 0.000 1.112 392 F CA -0.785 57.302 58.000 0.145 0.000 1.096 392 F CB 0.854 39.899 39.000 0.075 0.000 1.129 392 F HN -0.397 nan 8.300 nan 0.000 0.486 393 R N 4.087 124.112 120.500 -0.793 0.000 2.522 393 R HA 0.207 4.546 4.340 -0.001 0.000 0.273 393 R C -0.173 175.631 176.300 -0.826 0.000 1.133 393 R CA -0.369 55.311 56.100 -0.700 0.000 0.969 393 R CB 1.314 31.241 30.300 -0.623 0.000 1.235 393 R HN 0.790 nan 8.270 nan 0.000 0.433 394 E N 1.611 121.434 120.200 -0.628 0.000 2.502 394 E HA -0.014 4.335 4.350 -0.001 0.000 0.194 394 E C -0.554 175.904 176.600 -0.237 0.000 1.062 394 E CA 0.578 56.761 56.400 -0.360 0.000 0.867 394 E CB 0.337 29.953 29.700 -0.141 0.000 0.888 394 E HN 0.447 nan 8.360 nan 0.000 0.510 395 E N -0.481 119.547 120.200 -0.288 0.000 2.393 395 E HA 0.639 4.989 4.350 -0.001 0.000 0.273 395 E C -0.464 175.976 176.600 -0.267 0.000 0.918 395 E CA -0.428 55.840 56.400 -0.220 0.000 0.773 395 E CB 1.502 31.105 29.700 -0.162 0.000 1.275 395 E HN 0.073 nan 8.360 nan 0.000 0.451 396 A N 1.680 124.402 122.820 -0.163 0.000 6.500 396 A HA -0.215 4.105 4.320 -0.001 0.000 0.250 396 A C -0.461 177.073 177.584 -0.083 0.000 2.143 396 A CA 0.347 52.309 52.037 -0.124 0.000 0.705 396 A CB -1.782 17.145 19.000 -0.121 0.000 1.015 396 A HN 1.270 nan 8.150 nan 0.000 0.374 397 N N -0.677 118.002 118.700 -0.034 0.000 2.026 397 N HA -0.228 4.511 4.740 -0.001 0.000 0.394 397 N C 0.447 176.001 175.510 0.073 0.000 1.169 397 N CA 1.212 54.277 53.050 0.024 0.000 0.990 397 N CB -0.096 38.415 38.487 0.039 0.000 0.938 397 N HN 0.776 nan 8.380 nan 0.000 0.585 398 K N 2.146 122.579 120.400 0.055 0.000 2.281 398 K HA -0.197 4.122 4.320 -0.001 0.000 0.203 398 K C 1.827 178.470 176.600 0.073 0.000 1.046 398 K CA 1.493 57.816 56.287 0.059 0.000 0.938 398 K CB -0.020 32.503 32.500 0.038 0.000 0.737 398 K HN 0.590 nan 8.250 nan 0.000 0.458 399 Q N -0.259 119.590 119.800 0.081 0.000 2.172 399 Q HA -0.098 4.241 4.340 -0.001 0.000 0.200 399 Q C 0.167 176.226 176.000 0.099 0.000 0.964 399 Q CA 0.406 56.255 55.803 0.076 0.000 0.855 399 Q CB -0.080 28.699 28.738 0.069 0.000 0.918 399 Q HN 0.315 nan 8.270 nan 0.000 0.444 400 Y N 3.525 123.827 120.300 0.004 0.000 2.828 400 Y HA -0.132 4.418 4.550 -0.000 0.000 0.359 400 Y C 0.955 176.859 175.900 0.007 0.000 1.258 400 Y CA 0.255 58.356 58.100 0.002 0.000 1.652 400 Y CB 0.082 38.534 38.460 -0.013 0.000 1.232 400 Y HN 0.009 nan 8.280 nan 0.000 0.513 401 K N 3.958 124.201 120.400 -0.262 0.000 2.400 401 K HA 0.130 4.450 4.320 -0.001 0.000 0.194 401 K C 0.519 176.954 176.600 -0.276 0.000 1.033 401 K CA 0.187 56.360 56.287 -0.189 0.000 1.021 401 K CB 0.368 32.803 32.500 -0.108 0.000 0.808 401 K HN 0.459 nan 8.250 nan 0.000 0.505 402 R N 0.713 120.819 120.500 -0.656 0.000 2.571 402 R HA 0.194 4.534 4.340 -0.001 0.000 0.259 402 R C -0.181 176.052 176.300 -0.113 0.000 1.226 402 R CA -0.978 54.858 56.100 -0.440 0.000 1.157 402 R CB 0.167 30.145 30.300 -0.537 0.000 1.220 402 R HN -0.011 nan 8.270 nan 0.000 0.605 403 L N 1.537 122.803 121.223 0.072 0.000 2.615 403 L HA 0.025 4.365 4.340 -0.001 0.000 0.271 403 L C -0.886 176.100 176.870 0.194 0.000 1.183 403 L CA 0.704 55.659 54.840 0.192 0.000 0.933 403 L CB 0.322 42.554 42.059 0.288 0.000 1.199 403 L HN 0.196 nan 8.230 nan 0.000 0.487 404 V N 6.267 126.260 119.914 0.131 0.000 2.732 404 V HA 0.180 4.300 4.120 -0.001 0.000 0.310 404 V C 0.932 177.030 176.094 0.005 0.000 1.053 404 V CA -0.793 61.505 62.300 -0.004 0.000 0.957 404 V CB 1.611 33.464 31.823 0.051 0.000 1.018 404 V HN 0.795 nan 8.190 nan 0.000 0.452 405 L N 2.763 123.931 121.223 -0.090 0.000 2.450 405 L HA 0.093 4.433 4.340 -0.001 0.000 0.224 405 L C 1.541 178.475 176.870 0.106 0.000 1.149 405 L CA 2.232 57.128 54.840 0.093 0.000 0.816 405 L CB -0.461 41.632 42.059 0.056 0.000 0.932 405 L HN 0.874 nan 8.230 nan 0.000 0.449 406 G N -1.639 107.199 108.800 0.063 0.000 3.979 406 G HA2 0.214 4.174 3.960 -0.001 0.000 0.287 406 G HA3 0.214 4.174 3.960 -0.001 0.000 0.287 406 G C 0.047 174.983 174.900 0.059 0.000 1.011 406 G CA -0.201 44.935 45.100 0.059 0.000 0.818 406 G HN 0.167 nan 8.290 nan 0.000 0.470 407 K N 0.636 121.081 120.400 0.075 0.000 2.372 407 K HA 0.656 4.975 4.320 -0.001 0.000 0.251 407 K C -0.953 175.699 176.600 0.086 0.000 1.055 407 K CA -0.782 55.548 56.287 0.072 0.000 0.879 407 K CB 1.521 34.063 32.500 0.069 0.000 1.384 407 K HN 0.104 nan 8.250 nan 0.000 0.465 408 E N -0.538 119.706 120.200 0.074 0.000 2.244 408 E HA 0.624 4.974 4.350 -0.001 0.000 0.266 408 E C -1.139 175.504 176.600 0.072 0.000 0.914 408 E CA -1.152 55.293 56.400 0.076 0.000 0.794 408 E CB 1.863 31.600 29.700 0.061 0.000 1.210 408 E HN 0.335 nan 8.360 nan 0.000 0.414 409 V N -0.891 119.070 119.914 0.077 0.000 2.808 409 V HA 0.671 4.790 4.120 -0.001 0.000 0.308 409 V C -0.723 175.416 176.094 0.074 0.000 1.099 409 V CA -1.272 61.068 62.300 0.067 0.000 0.920 409 V CB 1.762 33.624 31.823 0.065 0.000 1.014 409 V HN 0.694 nan 8.190 nan 0.000 0.425 410 R N 3.506 124.047 120.500 0.068 0.000 2.370 410 R HA 0.528 4.867 4.340 -0.001 0.000 0.309 410 R C -0.641 175.722 176.300 0.106 0.000 1.059 410 R CA -0.251 55.896 56.100 0.079 0.000 0.981 410 R CB -0.029 30.309 30.300 0.064 0.000 0.972 410 R HN 0.886 nan 8.270 nan 0.000 0.437 411 L N 4.804 126.099 121.223 0.120 0.000 2.349 411 L HA 0.345 4.685 4.340 -0.001 0.000 0.275 411 L C 0.984 178.021 176.870 0.280 0.000 1.115 411 L CA -0.661 54.300 54.840 0.201 0.000 0.820 411 L CB 0.768 42.850 42.059 0.039 0.000 1.135 411 L HN 0.455 nan 8.230 nan 0.000 0.445 412 R N 3.333 124.056 120.500 0.372 0.000 2.488 412 R HA -0.116 4.224 4.340 -0.001 0.000 0.317 412 R C 0.359 176.821 176.300 0.270 0.000 0.941 412 R CA 0.703 56.956 56.100 0.254 0.000 1.076 412 R CB -0.677 29.726 30.300 0.172 0.000 0.917 412 R HN 0.762 nan 8.270 nan 0.000 0.407 413 N N 0.232 119.014 118.700 0.137 0.000 2.708 413 N HA -0.309 4.430 4.740 -0.001 0.000 0.251 413 N C -0.434 175.099 175.510 0.039 0.000 1.123 413 N CA 0.915 54.011 53.050 0.077 0.000 0.739 413 N CB -0.380 38.146 38.487 0.066 0.000 1.113 413 N HN 0.733 nan 8.380 nan 0.000 0.561 414 A N -1.036 121.798 122.820 0.023 0.000 3.434 414 A HA 0.742 5.061 4.320 -0.001 0.000 0.247 414 A C -0.788 176.622 177.584 -0.291 0.000 1.075 414 A CA -0.588 51.303 52.037 -0.242 0.000 0.737 414 A CB 0.390 19.310 19.000 -0.133 0.000 1.412 414 A HN 0.118 nan 8.150 nan 0.000 0.691 415 Y N -0.732 119.447 120.300 -0.200 0.000 2.289 415 Y HA 0.446 4.996 4.550 -0.000 0.000 0.332 415 Y C 0.521 176.419 175.900 -0.002 0.000 1.324 415 Y CA -0.396 57.654 58.100 -0.084 0.000 1.478 415 Y CB 0.517 38.961 38.460 -0.027 0.000 1.378 415 Y HN 0.194 nan 8.280 nan 0.000 0.558 416 V N 4.248 124.294 119.914 0.219 0.000 2.318 416 V HA 0.220 4.340 4.120 -0.001 0.000 0.271 416 V C 0.297 176.474 176.094 0.139 0.000 1.030 416 V CA -0.741 61.640 62.300 0.135 0.000 0.844 416 V CB -0.587 31.290 31.823 0.090 0.000 1.015 416 V HN 0.558 nan 8.190 nan 0.000 0.460 417 I N 1.884 122.531 120.570 0.129 0.000 3.432 417 I HA 0.615 4.785 4.170 -0.001 0.000 0.291 417 I C 0.076 176.252 176.117 0.099 0.000 1.127 417 I CA -0.630 60.743 61.300 0.121 0.000 0.962 417 I CB 0.738 38.789 38.000 0.085 0.000 1.550 417 I HN 0.487 nan 8.210 nan 0.000 0.736 418 K N 1.913 122.371 120.400 0.097 0.000 2.664 418 K HA 0.449 4.769 4.320 -0.001 0.000 0.298 418 K C -1.440 175.225 176.600 0.109 0.000 1.152 418 K CA -0.425 55.920 56.287 0.098 0.000 1.038 418 K CB 1.621 34.166 32.500 0.075 0.000 1.342 418 K HN 0.933 nan 8.250 nan 0.000 0.496 419 A N 3.372 126.281 122.820 0.147 0.000 2.477 419 A HA 0.204 4.523 4.320 -0.001 0.000 0.246 419 A C 0.310 177.989 177.584 0.159 0.000 1.078 419 A CA 0.316 52.456 52.037 0.171 0.000 0.770 419 A CB 0.218 19.415 19.000 0.329 0.000 1.011 419 A HN 0.878 nan 8.150 nan 0.000 0.494 420 E N 0.430 120.713 120.200 0.138 0.000 2.603 420 E HA 0.133 4.482 4.350 -0.001 0.000 0.224 420 E C 0.097 176.762 176.600 0.108 0.000 0.896 420 E CA -0.095 56.370 56.400 0.109 0.000 1.224 420 E CB 0.755 30.500 29.700 0.075 0.000 1.206 420 E HN 0.576 nan 8.360 nan 0.000 0.576 421 R N 1.234 121.822 120.500 0.145 0.000 2.561 421 R HA 0.422 4.761 4.340 -0.001 0.000 0.266 421 R C -2.032 174.415 176.300 0.245 0.000 1.091 421 R CA -0.341 55.847 56.100 0.147 0.000 0.927 421 R CB 2.400 32.727 30.300 0.045 0.000 1.240 421 R HN 0.010 nan 8.270 nan 0.000 0.449 422 V N 2.036 122.076 119.914 0.210 0.000 3.046 422 V HA 0.599 4.719 4.120 -0.001 0.000 0.316 422 V C -1.108 175.114 176.094 0.214 0.000 1.104 422 V CA -0.528 61.875 62.300 0.172 0.000 1.006 422 V CB 2.151 34.069 31.823 0.158 0.000 1.058 422 V HN 0.878 nan 8.190 nan 0.000 0.440 423 E N 3.330 123.631 120.200 0.169 0.000 2.316 423 E HA 0.421 4.770 4.350 -0.001 0.000 0.254 423 E C -0.908 175.743 176.600 0.086 0.000 0.902 423 E CA -0.553 55.951 56.400 0.173 0.000 0.801 423 E CB 1.441 31.335 29.700 0.324 0.000 1.270 423 E HN 0.695 nan 8.360 nan 0.000 0.414 424 K N 1.989 122.436 120.400 0.077 0.000 2.760 424 K HA 0.318 4.638 4.320 -0.001 0.000 0.285 424 K C 0.025 176.654 176.600 0.048 0.000 1.016 424 K CA -0.562 55.761 56.287 0.059 0.000 1.087 424 K CB 0.474 33.011 32.500 0.061 0.000 1.427 424 K HN 0.580 nan 8.250 nan 0.000 0.524 425 D N -1.799 118.625 120.400 0.040 0.000 2.958 425 D HA 0.198 4.837 4.640 -0.001 0.000 0.306 425 D C 0.485 176.802 176.300 0.027 0.000 1.226 425 D CA -0.434 53.586 54.000 0.033 0.000 1.032 425 D CB 0.396 41.214 40.800 0.030 0.000 1.400 425 D HN 0.357 nan 8.370 nan 0.000 0.587 426 A N -0.307 122.527 122.820 0.022 0.000 1.933 426 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 426 A C 1.812 179.407 177.584 0.018 0.000 1.175 426 A CA 1.968 54.016 52.037 0.018 0.000 0.628 426 A CB -0.793 18.217 19.000 0.015 0.000 0.814 426 A HN 0.658 nan 8.150 nan 0.000 0.444 427 E N -1.769 118.443 120.200 0.019 0.000 2.479 427 E HA 0.273 4.622 4.350 -0.001 0.000 0.193 427 E C 1.079 177.692 176.600 0.022 0.000 1.049 427 E CA 0.457 56.868 56.400 0.018 0.000 0.870 427 E CB -0.109 29.601 29.700 0.017 0.000 0.944 427 E HN 0.672 nan 8.360 nan 0.000 0.492 428 G N 0.997 109.813 108.800 0.027 0.000 2.195 428 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.246 428 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.246 428 G C -0.207 174.718 174.900 0.041 0.000 0.984 428 G CA 0.094 45.213 45.100 0.033 0.000 0.633 428 G HN 0.362 nan 8.290 nan 0.000 0.525 429 N N 0.757 119.480 118.700 0.038 0.000 2.483 429 N HA 0.463 5.203 4.740 -0.001 0.000 0.264 429 N C 0.525 176.064 175.510 0.048 0.000 1.197 429 N CA -0.049 53.028 53.050 0.044 0.000 0.927 429 N CB 0.917 39.425 38.487 0.036 0.000 1.065 429 N HN 0.383 nan 8.380 nan 0.000 0.461 430 I N 1.328 121.934 120.570 0.059 0.000 2.556 430 I HA -0.039 4.130 4.170 -0.001 0.000 0.284 430 I C 1.651 177.779 176.117 0.018 0.000 1.114 430 I CA 0.025 61.352 61.300 0.045 0.000 1.418 430 I CB 0.751 38.787 38.000 0.061 0.000 1.394 430 I HN 0.765 nan 8.210 nan 0.000 0.552 431 T N 0.006 114.557 114.554 -0.004 0.000 3.034 431 T HA 0.068 4.418 4.350 -0.001 0.000 0.248 431 T C 0.698 175.345 174.700 -0.088 0.000 1.040 431 T CA 0.168 62.260 62.100 -0.013 0.000 1.107 431 T CB 0.454 69.323 68.868 0.002 0.000 0.932 431 T HN 0.626 nan 8.240 nan 0.000 0.474 432 T N 0.386 114.829 114.554 -0.185 0.000 2.942 432 T HA 0.594 4.944 4.350 -0.001 0.000 0.327 432 T C -2.239 172.135 174.700 -0.543 0.000 1.360 432 T CA -0.846 61.010 62.100 -0.406 0.000 1.055 432 T CB 1.310 69.829 68.868 -0.581 0.000 1.261 432 T HN 0.145 nan 8.240 nan 0.000 0.485 433 I N 4.701 124.895 120.570 -0.627 0.000 2.390 433 I HA 0.442 4.612 4.170 -0.001 0.000 0.283 433 I C -0.634 175.177 176.117 -0.511 0.000 1.016 433 I CA -0.394 60.550 61.300 -0.592 0.000 1.151 433 I CB 0.760 38.275 38.000 -0.809 0.000 1.293 433 I HN 0.508 nan 8.210 nan 0.000 0.458 434 F N 5.040 124.887 119.950 -0.171 0.000 2.445 434 F HA 0.428 4.955 4.527 -0.001 0.000 0.359 434 F C 0.680 176.436 175.800 -0.074 0.000 1.101 434 F CA -0.065 57.867 58.000 -0.113 0.000 1.177 434 F CB 0.418 39.372 39.000 -0.078 0.000 1.110 434 F HN 0.405 nan 8.300 nan 0.000 0.522 435 C N 0.653 119.997 119.300 0.074 0.000 3.157 435 C HA 0.894 5.354 4.460 -0.001 0.000 0.368 435 C C -0.111 174.937 174.990 0.097 0.000 1.623 435 C CA -0.803 58.257 59.018 0.071 0.000 1.530 435 C CB 2.138 29.894 27.740 0.026 0.000 2.152 435 C HN 0.837 nan 8.230 nan 0.000 0.456 436 T N -0.503 114.117 114.554 0.111 0.000 2.991 436 T HA 0.572 4.922 4.350 -0.001 0.000 0.303 436 T C -1.103 173.706 174.700 0.182 0.000 1.015 436 T CA -0.344 61.845 62.100 0.148 0.000 1.007 436 T CB 0.891 69.811 68.868 0.088 0.000 1.034 436 T HN 0.812 nan 8.240 nan 0.000 0.446 437 Y N 0.863 121.173 120.300 0.017 0.000 2.376 437 Y HA 0.696 5.246 4.550 -0.001 0.000 0.325 437 Y C -0.160 175.699 175.900 -0.068 0.000 1.199 437 Y CA -1.713 56.383 58.100 -0.008 0.000 1.206 437 Y CB 0.877 39.339 38.460 0.004 0.000 1.229 437 Y HN 0.721 nan 8.280 nan 0.000 0.480 438 D N 2.042 122.272 120.400 -0.283 0.000 2.255 438 D HA 0.265 4.904 4.640 -0.001 0.000 0.249 438 D C 0.872 176.788 176.300 -0.641 0.000 1.078 438 D CA 0.472 54.251 54.000 -0.367 0.000 0.896 438 D CB 2.111 42.840 40.800 -0.118 0.000 1.194 438 D HN 0.917 nan 8.370 nan 0.000 0.429 439 A N 3.984 126.462 122.820 -0.570 0.000 1.869 439 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 439 A C 0.927 178.370 177.584 -0.235 0.000 1.203 439 A CA 1.708 53.452 52.037 -0.487 0.000 0.638 439 A CB -0.148 18.685 19.000 -0.278 0.000 0.831 439 A HN 0.705 nan 8.150 nan 0.000 0.450 440 D N -1.753 118.602 120.400 -0.075 0.000 2.402 440 D HA 0.465 5.104 4.640 -0.001 0.000 0.252 440 D C -0.768 175.587 176.300 0.091 0.000 1.294 440 D CA 0.284 54.334 54.000 0.083 0.000 0.948 440 D CB 0.828 41.654 40.800 0.044 0.000 1.202 440 D HN 0.099 nan 8.370 nan 0.000 0.561 441 T N 2.264 116.933 114.554 0.193 0.000 3.866 441 T HA 0.405 4.755 4.350 -0.001 0.000 0.241 441 T C 0.005 174.750 174.700 0.075 0.000 1.017 441 T CA -0.654 61.517 62.100 0.117 0.000 1.300 441 T CB -0.725 68.211 68.868 0.114 0.000 0.968 441 T HN 0.383 nan 8.240 nan 0.000 0.595 455 V N 2.384 122.309 119.914 0.019 0.000 2.628 455 V HA 0.832 4.951 4.120 -0.001 0.000 0.306 455 V C 0.314 176.450 176.094 0.070 0.000 1.045 455 V CA -0.762 61.571 62.300 0.056 0.000 0.905 455 V CB 1.556 33.417 31.823 0.064 0.000 0.997 455 V HN 1.001 nan 8.190 nan 0.000 0.436 456 I N 0.555 121.193 120.570 0.112 0.000 2.802 456 I HA 0.735 4.905 4.170 -0.001 0.000 0.298 456 I C -0.403 175.834 176.117 0.200 0.000 1.176 456 I CA -0.912 60.459 61.300 0.118 0.000 1.025 456 I CB 2.274 40.300 38.000 0.043 0.000 1.243 456 I HN 0.874 nan 8.210 nan 0.000 0.424 457 H N 2.948 122.087 119.070 0.116 0.000 2.508 457 H HA 0.754 5.310 4.556 -0.001 0.000 0.358 457 H C -1.049 174.383 175.328 0.174 0.000 1.212 457 H CA -0.528 55.556 56.048 0.060 0.000 1.356 457 H CB 1.197 30.912 29.762 -0.079 0.000 1.525 457 H HN 0.863 nan 8.280 nan 0.000 0.578 458 W N -0.987 120.323 121.300 0.016 0.000 2.937 458 W HA 0.567 5.226 4.660 -0.001 0.000 0.360 458 W C -2.572 173.952 176.519 0.008 0.000 1.215 458 W CA -1.133 56.197 57.345 -0.025 0.000 1.183 458 W CB 0.493 29.931 29.460 -0.036 0.000 1.458 458 W HN 0.614 nan 8.180 nan 0.000 0.574 459 V N 1.811 121.903 119.914 0.297 0.000 2.777 459 V HA 0.226 4.345 4.120 -0.001 0.000 0.306 459 V C 0.129 176.438 176.094 0.357 0.000 1.112 459 V CA -0.645 61.741 62.300 0.144 0.000 0.917 459 V CB 1.558 33.437 31.823 0.093 0.000 1.018 459 V HN 0.609 nan 8.190 nan 0.000 0.426 460 S N 3.599 119.501 115.700 0.336 0.000 2.515 460 S HA 0.292 4.761 4.470 -0.001 0.000 0.285 460 S C 1.503 176.096 174.600 -0.012 0.000 1.265 460 S CA 0.261 58.549 58.200 0.146 0.000 1.079 460 S CB 1.045 64.399 63.200 0.257 0.000 0.877 460 S HN 1.206 nan 8.310 nan 0.000 0.493 461 A N 5.754 128.381 122.820 -0.322 0.000 1.948 461 A HA 0.002 4.322 4.320 -0.001 0.000 0.220 461 A C 2.404 179.826 177.584 -0.269 0.000 1.177 461 A CA 2.041 53.768 52.037 -0.516 0.000 0.636 461 A CB -1.376 17.049 19.000 -0.959 0.000 0.815 461 A HN 1.241 nan 8.150 nan 0.000 0.449 462 A N -0.488 122.168 122.820 -0.274 0.000 1.855 462 A HA -0.078 4.241 4.320 -0.001 0.000 0.215 462 A C 1.285 178.661 177.584 -0.347 0.000 1.191 462 A CA 1.399 53.227 52.037 -0.347 0.000 0.613 462 A CB -0.761 17.944 19.000 -0.492 0.000 0.829 462 A HN 0.663 nan 8.150 nan 0.000 0.442 463 H N -0.267 118.782 119.070 -0.036 0.000 2.553 463 H HA 0.637 5.192 4.556 -0.000 0.000 0.222 463 H C -0.083 175.255 175.328 0.017 0.000 1.779 463 H CA 0.291 56.338 56.048 -0.001 0.000 1.241 463 H CB -0.177 29.590 29.762 0.009 0.000 1.647 463 H HN 0.481 nan 8.280 nan 0.000 0.523 464 A N 1.526 124.406 122.820 0.099 0.000 2.342 464 A HA 0.503 4.822 4.320 -0.001 0.000 0.323 464 A C -0.904 176.794 177.584 0.190 0.000 1.125 464 A CA -0.794 51.335 52.037 0.153 0.000 0.785 464 A CB 0.873 19.969 19.000 0.160 0.000 1.221 464 A HN 0.406 nan 8.150 nan 0.000 0.463 465 L N 4.082 125.399 121.223 0.158 0.000 2.257 465 L HA 0.546 4.885 4.340 -0.001 0.000 0.290 465 L C -2.514 174.417 176.870 0.101 0.000 1.044 465 L CA -2.001 52.903 54.840 0.108 0.000 0.810 465 L CB 1.029 43.100 42.059 0.020 0.000 1.193 465 L HN 0.317 nan 8.230 nan 0.000 0.425 466 P HA 0.097 nan 4.420 nan 0.000 0.264 466 P C -1.170 176.052 177.300 -0.129 0.000 1.236 466 P CA 0.249 63.292 63.100 -0.095 0.000 0.811 466 P CB 0.527 32.222 31.700 -0.009 0.000 0.840 467 V N 3.809 123.575 119.914 -0.246 0.000 2.604 467 V HA 0.282 4.402 4.120 -0.001 0.000 0.305 467 V C 0.269 176.285 176.094 -0.131 0.000 1.043 467 V CA -0.716 61.514 62.300 -0.117 0.000 0.888 467 V CB 2.075 33.801 31.823 -0.161 0.000 0.995 467 V HN 0.400 nan 8.190 nan 0.000 0.429 468 E N 4.440 124.643 120.200 0.004 0.000 2.167 468 E HA 0.511 4.861 4.350 -0.001 0.000 0.284 468 E C -1.207 175.445 176.600 0.087 0.000 1.016 468 E CA -0.431 55.964 56.400 -0.009 0.000 0.817 468 E CB 0.971 30.671 29.700 -0.000 0.000 1.080 468 E HN 0.604 nan 8.360 nan 0.000 0.397 469 I N 5.014 125.604 120.570 0.033 0.000 2.378 469 I HA 0.351 4.520 4.170 -0.001 0.000 0.291 469 I C 0.035 176.189 176.117 0.063 0.000 0.992 469 I CA -0.736 60.637 61.300 0.121 0.000 1.154 469 I CB 1.505 39.552 38.000 0.078 0.000 1.315 469 I HN 0.374 nan 8.210 nan 0.000 0.448 470 R N 6.995 127.543 120.500 0.079 0.000 2.246 470 R HA 0.546 4.886 4.340 -0.001 0.000 0.332 470 R C -1.156 174.985 176.300 -0.266 0.000 0.974 470 R CA -0.689 55.312 56.100 -0.164 0.000 0.837 470 R CB 1.238 31.400 30.300 -0.229 0.000 1.145 470 R HN 0.523 nan 8.270 nan 0.000 0.467 471 L N 4.681 125.742 121.223 -0.270 0.000 2.257 471 L HA 0.392 4.732 4.340 -0.001 0.000 0.290 471 L C -0.551 176.134 176.870 -0.309 0.000 1.044 471 L CA -0.669 54.061 54.840 -0.183 0.000 0.810 471 L CB 0.146 42.172 42.059 -0.055 0.000 1.193 471 L HN 0.424 nan 8.230 nan 0.000 0.425 472 Y N 1.435 121.722 120.300 -0.021 0.000 2.432 472 Y HA 0.561 5.111 4.550 -0.001 0.000 0.322 472 Y C 0.184 176.061 175.900 -0.039 0.000 1.246 472 Y CA -0.386 57.697 58.100 -0.028 0.000 1.268 472 Y CB 1.448 39.894 38.460 -0.023 0.000 1.276 472 Y HN 0.498 nan 8.280 nan 0.000 0.499 473 D N -1.091 119.389 120.400 0.134 0.000 2.643 473 D HA 0.247 4.886 4.640 -0.001 0.000 0.283 473 D C -1.363 174.941 176.300 0.007 0.000 1.242 473 D CA -0.992 53.029 54.000 0.034 0.000 0.863 473 D CB 1.145 41.937 40.800 -0.014 0.000 1.382 473 D HN 0.527 nan 8.370 nan 0.000 0.444 474 R N 1.152 121.623 120.500 -0.049 0.000 2.494 474 R HA 0.042 4.381 4.340 -0.001 0.000 0.291 474 R C 1.059 177.333 176.300 -0.042 0.000 0.953 474 R CA -0.087 55.988 56.100 -0.043 0.000 1.098 474 R CB 0.156 30.352 30.300 -0.173 0.000 0.911 474 R HN 0.496 nan 8.270 nan 0.000 0.407 475 L N 1.854 123.038 121.223 -0.066 0.000 2.131 475 L HA -0.019 4.321 4.340 -0.001 0.000 0.210 475 L C 0.076 176.629 176.870 -0.528 0.000 1.092 475 L CA 1.257 55.902 54.840 -0.324 0.000 0.759 475 L CB 0.104 41.889 42.059 -0.458 0.000 0.903 475 L HN 0.552 nan 8.230 nan 0.000 0.435 476 F N -2.834 117.189 119.950 0.121 0.000 2.538 476 F HA 0.197 4.724 4.527 -0.001 0.000 0.325 476 F C 1.200 177.123 175.800 0.206 0.000 1.066 476 F CA -0.427 57.658 58.000 0.143 0.000 0.946 476 F CB 1.628 40.723 39.000 0.158 0.000 1.199 476 F HN -0.403 nan 8.300 nan 0.000 0.473 477 S N 0.648 116.555 115.700 0.346 0.000 2.428 477 S HA 0.032 4.501 4.470 -0.001 0.000 0.230 477 S C 0.256 175.071 174.600 0.358 0.000 1.014 477 S CA 0.606 58.962 58.200 0.259 0.000 0.957 477 S CB -0.171 63.122 63.200 0.155 0.000 0.784 477 S HN 0.398 nan 8.310 nan 0.000 0.499 478 V N -1.724 118.384 119.914 0.323 0.000 2.667 478 V HA 0.594 4.714 4.120 -0.001 0.000 0.308 478 V C -2.106 173.874 176.094 -0.190 0.000 1.048 478 V CA -2.154 60.227 62.300 0.134 0.000 0.928 478 V CB 1.112 32.958 31.823 0.037 0.000 1.004 478 V HN -0.123 nan 8.190 nan 0.000 0.444 479 P HA -0.099 nan 4.420 nan 0.000 0.216 479 P C 0.395 177.417 177.300 -0.464 0.000 1.150 479 P CA 1.564 64.077 63.100 -0.978 0.000 0.837 479 P CB 0.096 31.451 31.700 -0.575 0.000 0.786 480 N N -1.328 117.210 118.700 -0.271 0.000 2.918 480 N HA 0.125 4.864 4.740 -0.001 0.000 0.270 480 N C -1.790 173.608 175.510 -0.186 0.000 1.536 480 N CA -2.408 50.523 53.050 -0.197 0.000 0.877 480 N CB 0.228 38.625 38.487 -0.150 0.000 1.190 480 N HN -0.035 nan 8.380 nan 0.000 0.492 481 P HA -0.043 nan 4.420 nan 0.000 0.220 481 P C 1.276 178.417 177.300 -0.266 0.000 1.148 481 P CA 0.789 63.693 63.100 -0.328 0.000 0.803 481 P CB 0.151 31.342 31.700 -0.847 0.000 0.782 482 G N 0.409 109.040 108.800 -0.282 0.000 2.470 482 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.220 482 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.220 482 G C 1.595 176.392 174.900 -0.172 0.000 1.121 482 G CA 0.693 45.632 45.100 -0.268 0.000 0.766 482 G HN 0.405 nan 8.290 nan 0.000 0.553 483 A N -0.140 122.600 122.820 -0.132 0.000 2.218 483 A HA 0.725 5.044 4.320 -0.001 0.000 0.209 483 A C 1.513 179.062 177.584 -0.057 0.000 1.168 483 A CA 0.784 52.767 52.037 -0.090 0.000 0.804 483 A CB -0.113 18.836 19.000 -0.085 0.000 0.834 483 A HN 0.624 nan 8.150 nan 0.000 0.482 484 A N 0.085 122.879 122.820 -0.044 0.000 2.371 484 A HA 0.365 4.685 4.320 -0.001 0.000 0.257 484 A C 0.664 178.261 177.584 0.022 0.000 1.089 484 A CA -0.054 51.980 52.037 -0.004 0.000 0.794 484 A CB 0.264 19.272 19.000 0.013 0.000 1.029 484 A HN 0.340 nan 8.150 nan 0.000 0.488 485 D N -0.060 120.352 120.400 0.021 0.000 2.144 485 D HA -0.094 4.546 4.640 -0.001 0.000 0.199 485 D C -0.230 176.107 176.300 0.061 0.000 0.984 485 D CA 1.665 55.681 54.000 0.028 0.000 0.834 485 D CB 0.271 41.081 40.800 0.015 0.000 0.955 485 D HN 0.609 nan 8.370 nan 0.000 0.465 486 D N -0.384 120.056 120.400 0.066 0.000 2.405 486 D HA 0.007 4.647 4.640 -0.001 0.000 0.264 486 D C 0.928 177.258 176.300 0.051 0.000 1.240 486 D CA -0.657 53.387 54.000 0.072 0.000 0.893 486 D CB -0.030 40.776 40.800 0.010 0.000 1.198 486 D HN -0.122 nan 8.370 nan 0.000 0.514 487 F N 2.123 122.042 119.950 -0.051 0.000 2.236 487 F HA -0.124 4.403 4.527 -0.001 0.000 0.302 487 F C 1.200 177.020 175.800 0.034 0.000 1.073 487 F CA 0.851 58.794 58.000 -0.095 0.000 1.336 487 F CB -0.764 38.106 39.000 -0.215 0.000 1.040 487 F HN 0.270 nan 8.300 nan 0.000 0.507 488 L N 0.926 121.615 121.223 -0.891 0.000 2.046 488 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 488 L C 2.874 179.572 176.870 -0.286 0.000 1.077 488 L CA 1.637 56.076 54.840 -0.668 0.000 0.747 488 L CB -1.019 40.673 42.059 -0.611 0.000 0.896 488 L HN 0.479 nan 8.230 nan 0.000 0.432 489 S N -1.338 114.252 115.700 -0.185 0.000 2.500 489 S HA -0.107 4.362 4.470 -0.001 0.000 0.239 489 S C 1.422 176.002 174.600 -0.034 0.000 0.989 489 S CA 0.691 58.831 58.200 -0.100 0.000 0.951 489 S CB -0.182 62.981 63.200 -0.061 0.000 0.759 489 S HN 0.236 nan 8.310 nan 0.000 0.523 490 V N 1.152 121.082 119.914 0.026 0.000 3.271 490 V HA 0.450 4.569 4.120 -0.001 0.000 0.327 490 V C 0.119 176.356 176.094 0.239 0.000 1.389 490 V CA -0.642 61.728 62.300 0.116 0.000 1.156 490 V CB -0.507 31.386 31.823 0.117 0.000 1.103 490 V HN 0.479 nan 8.190 nan 0.000 0.453 491 I N 1.995 122.639 120.570 0.123 0.000 2.692 491 I HA 0.091 4.261 4.170 -0.001 0.000 0.284 491 I C 0.654 176.732 176.117 -0.065 0.000 1.159 491 I CA 0.183 61.453 61.300 -0.050 0.000 1.423 491 I CB 0.471 38.334 38.000 -0.228 0.000 1.380 491 I HN 0.251 nan 8.210 nan 0.000 0.580 492 N N 8.835 127.470 118.700 -0.108 0.000 2.442 492 N HA 0.127 4.866 4.740 -0.001 0.000 0.265 492 N C -1.575 173.887 175.510 -0.080 0.000 1.138 492 N CA -1.970 51.044 53.050 -0.060 0.000 0.956 492 N CB 1.056 39.511 38.487 -0.053 0.000 1.067 492 N HN 0.298 nan 8.380 nan 0.000 0.474 493 P HA -0.049 nan 4.420 nan 0.000 0.225 493 P C -0.251 177.020 177.300 -0.049 0.000 1.156 493 P CA 1.086 64.153 63.100 -0.055 0.000 0.787 493 P CB 0.421 32.097 31.700 -0.041 0.000 0.802 494 E N 0.073 120.246 120.200 -0.044 0.000 2.423 494 E HA 0.066 4.416 4.350 -0.001 0.000 0.198 494 E C 1.491 178.065 176.600 -0.043 0.000 1.038 494 E CA -0.036 56.338 56.400 -0.043 0.000 1.011 494 E CB 0.037 29.717 29.700 -0.035 0.000 1.118 494 E HN 0.305 nan 8.360 nan 0.000 0.451 495 S N 0.333 116.005 115.700 -0.046 0.000 2.423 495 S HA -0.099 4.371 4.470 -0.001 0.000 0.231 495 S C 0.714 175.325 174.600 0.018 0.000 1.014 495 S CA 0.321 58.507 58.200 -0.023 0.000 0.965 495 S CB 0.022 63.187 63.200 -0.058 0.000 0.785 495 S HN 0.214 nan 8.310 nan 0.000 0.495 496 L N 0.845 122.048 121.223 -0.033 0.000 2.409 496 L HA 0.761 5.100 4.340 -0.001 0.000 0.272 496 L C -1.199 175.592 176.870 -0.132 0.000 0.980 496 L CA -0.901 53.868 54.840 -0.118 0.000 0.826 496 L CB 2.297 44.315 42.059 -0.068 0.000 1.268 496 L HN 0.017 nan 8.230 nan 0.000 0.407 497 V N 7.112 126.918 119.914 -0.181 0.000 2.439 497 V HA 0.520 4.640 4.120 -0.001 0.000 0.277 497 V C -0.486 175.523 176.094 -0.142 0.000 1.008 497 V CA -0.316 61.909 62.300 -0.126 0.000 0.846 497 V CB 1.150 32.922 31.823 -0.084 0.000 1.031 497 V HN 0.713 nan 8.190 nan 0.000 0.441 498 I N 7.569 128.061 120.570 -0.131 0.000 2.436 498 I HA 0.352 4.522 4.170 -0.001 0.000 0.289 498 I C 0.341 176.403 176.117 -0.092 0.000 1.083 498 I CA 0.093 61.322 61.300 -0.118 0.000 1.372 498 I CB 0.412 38.345 38.000 -0.112 0.000 1.408 498 I HN 0.431 nan 8.210 nan 0.000 0.516 499 K N 5.810 126.161 120.400 -0.081 0.000 2.221 499 K HA 0.489 4.809 4.320 -0.001 0.000 0.243 499 K C -0.544 175.984 176.600 -0.119 0.000 0.968 499 K CA -0.873 55.362 56.287 -0.088 0.000 0.846 499 K CB 1.762 34.222 32.500 -0.066 0.000 1.141 499 K HN 0.372 nan 8.250 nan 0.000 0.434 500 Q N 0.715 120.413 119.800 -0.170 0.000 2.341 500 Q HA 0.533 4.873 4.340 -0.001 0.000 0.268 500 Q C -0.073 175.688 176.000 -0.398 0.000 1.013 500 Q CA -0.504 55.142 55.803 -0.262 0.000 0.798 500 Q CB 1.997 30.584 28.738 -0.252 0.000 1.253 500 Q HN 0.877 nan 8.270 nan 0.000 0.457 501 G N 0.979 109.485 108.800 -0.490 0.000 3.176 501 G HA2 0.793 4.752 3.960 -0.001 0.000 0.272 501 G HA3 0.793 4.752 3.960 -0.001 0.000 0.272 501 G C -1.429 172.907 174.900 -0.940 0.000 1.349 501 G CA -0.432 44.298 45.100 -0.616 0.000 0.953 501 G HN 0.304 nan 8.290 nan 0.000 0.559 502 F N -0.139 119.581 119.950 -0.384 0.000 2.551 502 F HA 0.763 5.290 4.527 -0.001 0.000 0.316 502 F C 0.489 176.091 175.800 -0.330 0.000 1.089 502 F CA -0.640 57.156 58.000 -0.340 0.000 0.915 502 F CB 2.589 41.334 39.000 -0.426 0.000 1.186 502 F HN 0.660 nan 8.300 nan 0.000 0.456 503 A N 1.563 124.299 122.820 -0.139 0.000 2.423 503 A HA 0.676 4.996 4.320 -0.001 0.000 0.304 503 A C -0.831 176.627 177.584 -0.210 0.000 1.104 503 A CA -0.891 50.946 52.037 -0.333 0.000 0.757 503 A CB 0.985 19.647 19.000 -0.564 0.000 1.313 503 A HN 0.802 nan 8.150 nan 0.000 0.423 504 E N 2.016 122.040 120.200 -0.294 0.000 2.415 504 E HA 0.141 4.490 4.350 -0.001 0.000 0.262 504 E C -1.742 174.768 176.600 -0.149 0.000 1.038 504 E CA -1.094 55.180 56.400 -0.211 0.000 0.921 504 E CB 0.396 29.924 29.700 -0.286 0.000 0.950 504 E HN 0.360 nan 8.360 nan 0.000 0.438 505 P HA -0.283 nan 4.420 nan 0.000 0.222 505 P C 1.386 178.661 177.300 -0.041 0.000 1.142 505 P CA 1.394 64.481 63.100 -0.022 0.000 0.788 505 P CB 0.170 31.887 31.700 0.027 0.000 0.767 506 S N 0.025 115.679 115.700 -0.078 0.000 2.359 506 S HA -0.123 4.347 4.470 -0.001 0.000 0.224 506 S C 1.866 176.413 174.600 -0.088 0.000 1.035 506 S CA 0.865 59.025 58.200 -0.066 0.000 1.018 506 S CB -0.865 62.287 63.200 -0.079 0.000 0.876 506 S HN -0.053 nan 8.310 nan 0.000 0.448 507 L N 1.705 122.820 121.223 -0.180 0.000 2.551 507 L HA -0.005 4.334 4.340 -0.001 0.000 0.230 507 L C 2.263 179.130 176.870 -0.006 0.000 1.163 507 L CA 1.363 56.085 54.840 -0.197 0.000 0.826 507 L CB -1.560 40.326 42.059 -0.289 0.000 0.943 507 L HN 0.425 nan 8.230 nan 0.000 0.452 508 K N 0.923 121.324 120.400 0.003 0.000 2.057 508 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 508 K C 1.206 177.845 176.600 0.065 0.000 1.049 508 K CA 1.472 57.786 56.287 0.045 0.000 0.931 508 K CB -0.039 32.483 32.500 0.036 0.000 0.714 508 K HN 0.233 nan 8.250 nan 0.000 0.440 509 D N 0.566 121.004 120.400 0.064 0.000 2.319 509 D HA 0.089 4.729 4.640 -0.001 0.000 0.230 509 D C -0.397 175.993 176.300 0.149 0.000 1.094 509 D CA 0.298 54.353 54.000 0.093 0.000 0.856 509 D CB 0.118 40.971 40.800 0.089 0.000 0.915 509 D HN 0.308 nan 8.370 nan 0.000 0.517 510 A N 1.127 124.039 122.820 0.153 0.000 2.488 510 A HA 0.355 4.674 4.320 -0.001 0.000 0.249 510 A C 0.594 178.323 177.584 0.242 0.000 1.083 510 A CA -0.369 51.841 52.037 0.288 0.000 0.768 510 A CB 0.450 19.559 19.000 0.182 0.000 1.017 510 A HN 0.077 nan 8.150 nan 0.000 0.496 511 V N -0.037 120.047 119.914 0.283 0.000 2.769 511 V HA 0.854 4.974 4.120 -0.001 0.000 0.312 511 V C 0.519 176.688 176.094 0.125 0.000 1.058 511 V CA -0.659 61.732 62.300 0.151 0.000 0.952 511 V CB 1.102 32.995 31.823 0.116 0.000 1.019 511 V HN 1.487 nan 8.190 nan 0.000 0.445 512 A N 1.971 124.823 122.820 0.054 0.000 2.450 512 A HA 0.654 4.973 4.320 -0.001 0.000 0.255 512 A C 1.370 178.981 177.584 0.045 0.000 1.096 512 A CA 0.602 52.655 52.037 0.027 0.000 0.778 512 A CB -0.278 18.721 19.000 -0.002 0.000 1.031 512 A HN 2.681 nan 8.150 nan 0.000 0.494 513 G N 1.454 110.282 108.800 0.048 0.000 2.391 513 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.204 513 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.204 513 G C 0.363 175.282 174.900 0.031 0.000 1.012 513 G CA 0.279 45.412 45.100 0.055 0.000 0.651 513 G HN 0.951 nan 8.290 nan 0.000 0.494 514 K N 1.213 121.615 120.400 0.004 0.000 2.159 514 K HA 0.757 5.076 4.320 -0.001 0.000 0.266 514 K C 0.010 176.528 176.600 -0.137 0.000 0.975 514 K CA 0.049 56.266 56.287 -0.118 0.000 0.865 514 K CB 1.393 33.745 32.500 -0.247 0.000 1.087 514 K HN 0.561 nan 8.250 nan 0.000 0.446 515 A N 4.258 126.981 122.820 -0.162 0.000 2.292 515 A HA 0.571 4.890 4.320 -0.001 0.000 0.319 515 A C -1.222 176.282 177.584 -0.133 0.000 1.206 515 A CA -0.617 51.396 52.037 -0.040 0.000 0.835 515 A CB 0.095 19.090 19.000 -0.007 0.000 1.164 515 A HN 0.616 nan 8.150 nan 0.000 0.505 516 F N 0.597 120.640 119.950 0.154 0.000 2.458 516 F HA 0.418 4.945 4.527 -0.001 0.000 0.330 516 F C 0.791 176.675 175.800 0.140 0.000 1.082 516 F CA -0.351 57.756 58.000 0.178 0.000 0.995 516 F CB 1.817 40.986 39.000 0.283 0.000 1.170 516 F HN 0.574 nan 8.300 nan 0.000 0.478 517 Q N 3.447 123.448 119.800 0.334 0.000 2.421 517 Q HA 0.248 4.588 4.340 -0.001 0.000 0.242 517 Q C -1.309 174.810 176.000 0.199 0.000 1.024 517 Q CA -0.588 55.306 55.803 0.152 0.000 0.891 517 Q CB 0.329 29.089 28.738 0.037 0.000 1.222 517 Q HN 0.406 nan 8.270 nan 0.000 0.483 518 F N 2.370 122.312 119.950 -0.013 0.000 2.543 518 F HA 0.062 4.588 4.527 -0.001 0.000 0.375 518 F C 0.962 176.605 175.800 -0.262 0.000 1.075 518 F CA -0.504 57.364 58.000 -0.219 0.000 1.225 518 F CB 0.159 38.870 39.000 -0.482 0.000 1.099 518 F HN 0.525 nan 8.300 nan 0.000 0.561 519 E N 3.433 123.563 120.200 -0.116 0.000 2.558 519 E HA -0.017 4.333 4.350 -0.001 0.000 0.255 519 E C 0.543 176.959 176.600 -0.307 0.000 0.968 519 E CA 0.521 56.810 56.400 -0.184 0.000 0.939 519 E CB 0.164 29.773 29.700 -0.152 0.000 0.921 519 E HN 0.521 nan 8.360 nan 0.000 0.477 520 R N 2.530 122.924 120.500 -0.176 0.000 3.946 520 R HA -0.245 4.095 4.340 -0.001 0.000 0.329 520 R C 0.104 176.332 176.300 -0.121 0.000 1.209 520 R CA 1.107 57.134 56.100 -0.122 0.000 0.909 520 R CB -1.052 29.238 30.300 -0.016 0.000 1.355 520 R HN 0.582 nan 8.270 nan 0.000 0.539 521 E N -1.006 119.127 120.200 -0.112 0.000 2.475 521 E HA 0.255 4.605 4.350 -0.001 0.000 0.205 521 E C 1.083 177.747 176.600 0.107 0.000 0.822 521 E CA 1.203 57.621 56.400 0.030 0.000 1.240 521 E CB 1.180 30.915 29.700 0.059 0.000 1.222 521 E HN 0.443 nan 8.360 nan 0.000 0.581 522 G N 0.055 108.886 108.800 0.053 0.000 2.350 522 G HA2 0.132 4.092 3.960 -0.001 0.000 0.276 522 G HA3 0.132 4.092 3.960 -0.001 0.000 0.276 522 G C -1.895 172.822 174.900 -0.305 0.000 1.313 522 G CA -0.952 44.040 45.100 -0.179 0.000 0.903 522 G HN -0.010 nan 8.290 nan 0.000 0.490 523 Y N -0.246 119.967 120.300 -0.145 0.000 2.341 523 Y HA 0.797 5.346 4.550 -0.001 0.000 0.337 523 Y C -0.086 175.580 175.900 -0.390 0.000 1.014 523 Y CA -0.528 57.496 58.100 -0.127 0.000 1.111 523 Y CB 1.651 40.026 38.460 -0.142 0.000 1.194 523 Y HN 0.453 nan 8.280 nan 0.000 0.462 524 F N 1.273 121.099 119.950 -0.208 0.000 2.654 524 F HA 0.779 5.305 4.527 -0.001 0.000 0.334 524 F C -0.210 175.624 175.800 0.056 0.000 1.078 524 F CA -1.407 56.470 58.000 -0.204 0.000 0.986 524 F CB 1.776 40.329 39.000 -0.745 0.000 1.362 524 F HN 0.642 nan 8.300 nan 0.000 0.498 525 C N 0.305 119.841 119.300 0.393 0.000 3.307 525 C HA 0.739 5.198 4.460 -0.001 0.000 0.333 525 C C -0.681 174.346 174.990 0.061 0.000 1.291 525 C CA -0.952 58.247 59.018 0.301 0.000 1.273 525 C CB 0.345 28.172 27.740 0.144 0.000 1.580 525 C HN 0.952 nan 8.230 nan 0.000 0.481 526 L N 1.787 122.921 121.223 -0.149 0.000 2.636 526 L HA 0.566 4.906 4.340 -0.001 0.000 0.163 526 L C 1.270 178.040 176.870 -0.167 0.000 1.052 526 L CA 2.482 57.058 54.840 -0.440 0.000 1.170 526 L CB -0.081 41.767 42.059 -0.351 0.000 1.864 526 L HN 1.264 nan 8.230 nan 0.000 0.472 527 D N -2.956 117.362 120.400 -0.137 0.000 4.783 527 D HA -0.305 4.334 4.640 -0.001 0.000 0.147 527 D C 0.827 177.104 176.300 -0.039 0.000 0.672 527 D CA 2.192 56.153 54.000 -0.065 0.000 1.358 527 D CB -1.429 39.346 40.800 -0.041 0.000 0.855 527 D HN 0.808 nan 8.370 nan 0.000 0.544 528 S N -1.475 114.226 115.700 0.002 0.000 2.723 528 S HA -0.428 4.042 4.470 -0.001 0.000 0.261 528 S C 1.136 175.720 174.600 -0.027 0.000 1.294 528 S CA 2.821 61.067 58.200 0.077 0.000 1.467 528 S CB -1.287 62.010 63.200 0.161 0.000 1.849 528 S HN 1.197 nan 8.310 nan 0.000 0.672 529 R N -0.141 120.289 120.500 -0.116 0.000 3.954 529 R HA -0.221 4.119 4.340 -0.001 0.000 0.422 529 R C 0.328 176.387 176.300 -0.402 0.000 1.091 529 R CA 2.104 58.052 56.100 -0.253 0.000 1.168 529 R CB -2.184 27.928 30.300 -0.314 0.000 1.752 529 R HN 0.811 nan 8.270 nan 0.000 0.547 530 H N -1.845 117.229 119.070 0.006 0.000 3.400 530 H HA 0.269 4.824 4.556 -0.001 0.000 0.251 530 H C 0.048 175.375 175.328 -0.002 0.000 1.040 530 H CA 0.533 56.585 56.048 0.007 0.000 1.175 530 H CB 0.407 30.179 29.762 0.016 0.000 1.487 530 H HN 0.312 nan 8.280 nan 0.000 0.505 531 S N 2.692 118.445 115.700 0.087 0.000 2.555 531 S HA 0.115 4.584 4.470 -0.001 0.000 0.293 531 S C 0.974 175.588 174.600 0.023 0.000 1.248 531 S CA 0.010 58.228 58.200 0.030 0.000 1.096 531 S CB 0.592 63.759 63.200 -0.055 0.000 0.881 531 S HN 0.415 nan 8.310 nan 0.000 0.498 532 T N 0.121 114.695 114.554 0.034 0.000 2.855 532 T HA 0.764 5.113 4.350 -0.001 0.000 0.275 532 T C 1.353 176.071 174.700 0.029 0.000 1.022 532 T CA -0.449 61.669 62.100 0.030 0.000 0.977 532 T CB 0.533 69.421 68.868 0.034 0.000 1.559 532 T HN 0.678 nan 8.240 nan 0.000 0.600 533 A N 0.002 122.840 122.820 0.030 0.000 1.935 533 A HA 0.146 4.465 4.320 -0.001 0.000 0.214 533 A C 2.105 179.711 177.584 0.037 0.000 1.178 533 A CA 1.005 53.062 52.037 0.033 0.000 0.640 533 A CB -0.920 18.098 19.000 0.030 0.000 0.825 533 A HN 0.830 nan 8.150 nan 0.000 0.447 534 E N -0.185 120.035 120.200 0.033 0.000 2.021 534 E HA 0.022 4.371 4.350 -0.001 0.000 0.189 534 E C 0.806 177.426 176.600 0.034 0.000 0.980 534 E CA 1.116 57.535 56.400 0.032 0.000 0.803 534 E CB 0.003 29.719 29.700 0.026 0.000 0.766 534 E HN 0.291 nan 8.360 nan 0.000 0.449 535 K N 1.286 121.705 120.400 0.032 0.000 2.414 535 K HA 0.275 4.594 4.320 -0.001 0.000 0.251 535 K C -2.788 173.843 176.600 0.053 0.000 1.037 535 K CA -2.785 53.521 56.287 0.031 0.000 0.980 535 K CB 1.101 33.608 32.500 0.011 0.000 1.280 535 K HN -0.134 nan 8.250 nan 0.000 0.451 536 P HA 0.083 nan 4.420 nan 0.000 0.276 536 P C -1.007 176.386 177.300 0.155 0.000 1.235 536 P CA -0.485 62.679 63.100 0.107 0.000 0.772 536 P CB 1.072 32.910 31.700 0.229 0.000 0.871 537 V N 4.672 124.615 119.914 0.049 0.000 2.435 537 V HA 0.437 4.556 4.120 -0.001 0.000 0.290 537 V C -0.326 175.778 176.094 0.016 0.000 1.030 537 V CA -0.295 62.073 62.300 0.113 0.000 0.881 537 V CB 0.708 32.596 31.823 0.108 0.000 0.983 537 V HN 0.356 nan 8.190 nan 0.000 0.445 538 F N 2.745 122.786 119.950 0.152 0.000 2.493 538 F HA 0.523 5.050 4.527 -0.001 0.000 0.329 538 F C 0.391 176.358 175.800 0.277 0.000 1.126 538 F CA -0.764 57.372 58.000 0.227 0.000 0.937 538 F CB 1.711 40.877 39.000 0.278 0.000 1.146 538 F HN 0.394 nan 8.300 nan 0.000 0.442 539 N N 2.319 121.252 118.700 0.388 0.000 2.479 539 N HA 0.219 4.958 4.740 -0.001 0.000 0.285 539 N C -0.324 175.297 175.510 0.185 0.000 1.075 539 N CA -0.545 52.729 53.050 0.374 0.000 0.967 539 N CB 1.410 40.086 38.487 0.314 0.000 1.137 539 N HN 0.540 nan 8.380 nan 0.000 0.472 540 R N 1.681 122.187 120.500 0.009 0.000 2.248 540 R HA 0.121 4.460 4.340 -0.001 0.000 0.337 540 R C 0.341 176.471 176.300 -0.283 0.000 1.106 540 R CA -0.069 55.625 56.100 -0.678 0.000 0.959 540 R CB -0.045 29.860 30.300 -0.658 0.000 1.075 540 R HN 0.519 nan 8.270 nan 0.000 0.480 541 T N 1.683 116.066 114.554 -0.285 0.000 2.665 541 T HA -0.126 4.224 4.350 -0.001 0.000 0.268 541 T C 0.587 175.209 174.700 -0.130 0.000 1.035 541 T CA 1.464 63.474 62.100 -0.150 0.000 1.151 541 T CB -0.028 68.734 68.868 -0.177 0.000 0.862 541 T HN 0.421 nan 8.240 nan 0.000 0.438 542 V N -0.560 119.256 119.914 -0.162 0.000 2.963 542 V HA 0.560 4.679 4.120 -0.001 0.000 0.272 542 V C -0.372 175.691 176.094 -0.053 0.000 1.559 542 V CA -0.592 61.666 62.300 -0.070 0.000 0.959 542 V CB 1.369 33.171 31.823 -0.035 0.000 1.202 542 V HN 0.418 nan 8.190 nan 0.000 0.447 543 G N 4.108 112.878 108.800 -0.049 0.000 2.651 543 G HA2 0.532 4.491 3.960 -0.001 0.000 0.260 543 G HA3 0.532 4.491 3.960 -0.001 0.000 0.260 543 G C -0.563 174.342 174.900 0.007 0.000 1.216 543 G CA -0.503 44.573 45.100 -0.040 0.000 0.913 543 G HN 0.756 nan 8.290 nan 0.000 0.535 544 L N -0.528 120.678 121.223 -0.029 0.000 2.468 544 L HA 0.367 4.707 4.340 -0.001 0.000 0.254 544 L C 1.324 178.212 176.870 0.029 0.000 1.171 544 L CA -0.453 54.385 54.840 -0.003 0.000 0.809 544 L CB 0.831 42.852 42.059 -0.063 0.000 1.155 544 L HN 0.589 nan 8.230 nan 0.000 0.473 545 R N 1.137 121.664 120.500 0.046 0.000 2.401 545 R HA 0.171 4.511 4.340 -0.001 0.000 0.299 545 R C -1.236 175.083 176.300 0.032 0.000 1.064 545 R CA -0.028 56.098 56.100 0.043 0.000 1.000 545 R CB 0.152 30.482 30.300 0.050 0.000 0.973 545 R HN 0.582 nan 8.270 nan 0.000 0.438 546 D N 3.111 123.530 120.400 0.032 0.000 2.686 546 D HA 0.258 4.897 4.640 -0.001 0.000 0.249 546 D C -1.170 175.149 176.300 0.032 0.000 1.260 546 D CA -0.222 53.796 54.000 0.030 0.000 0.910 546 D CB 1.603 42.421 40.800 0.030 0.000 1.323 546 D HN 0.631 nan 8.370 nan 0.000 0.561 547 T N 0.000 114.573 114.554 0.031 0.000 3.816 547 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 547 T CA 0.000 62.119 62.100 0.032 0.000 1.349 547 T CB 0.000 68.887 68.868 0.032 0.000 0.612 547 T HN 0.000 nan 8.240 nan 0.000 0.658