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 2h89_1_A DATA FIRST_RESID 9 DATA SEQUENCE STQYPVVDHE FDAVVVGAGG AGLRAAFGLS EAGFNTACVT KLFPTRSHTV DATA SEQUENCE AAQGGINAAL GNMEDDNWRW HFYDTVKGSD WLGDQDAIHY MTEQAPAAVI DATA SEQUENCE ELENYGMPFS RTEEGKIYQR AFGGQSLQFG KGGQAHRCCC VADRTGHSLL DATA SEQUENCE HTLYGRSLRY DTSYFVEYFA LDLLMENGEC RGVIALCIED GTIHRFRAKN DATA SEQUENCE TVIATGGYGR TYFSCTSAHT STGDGTAMVT RAGLPCQDLE FVQFHPTGIY DATA SEQUENCE GAGCLITEGC RGEGGILINS QGERFMERYA PVAKDLASRD VVSRSMTIEI DATA SEQUENCE REGRGCGPEK DHVYLQLHHL PPQQLATRLP GISETAMIFA GVDVTKEPIP DATA SEQUENCE VLPTVHYNMG GIPTNYKGQV ITHVNGEDKV VPGLYACGEA ASASVHGANR DATA SEQUENCE LGANSLLDLV VFGRACALTI AETCKPGEPV PSIKPNAGEE SVANLDKLRF DATA SEQUENCE ADGTIRTSEA RLNMQKTMQS HAAVFRTGSI LQEGCEKLSQ IYRDLAHLKT DATA SEQUENCE FDRGIVWNTD LVETLELQNL MLCALQTIYG AEARKESRGA HAREDYKLRI DATA SEQUENCE DEFDYSKPLQ GQQKRPFEEH WRKHTLSYVD VKSGKVTLKY RPVIDRTLNE DATA SEQUENCE EDCSSVPPAI RSY 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 nan 174.600 nan 0.000 1.055 9 S CA 0.000 58.225 58.200 0.041 0.000 1.107 9 S CB 0.000 nan 63.200 nan 0.000 0.593 10 T N 0.866 115.446 114.554 0.043 0.000 0.000 10 T HA 0.376 4.726 4.350 -0.000 0.000 0.000 10 T C -0.776 173.970 174.700 0.076 0.000 0.000 10 T CA -0.080 62.064 62.100 0.074 0.000 0.000 10 T CB 0.228 69.128 68.868 0.054 0.000 0.000 10 T HN 0.626 nan 8.240 nan 0.000 0.000 11 Q N 2.560 122.437 119.800 0.128 0.000 2.360 11 Q HA 0.210 4.549 4.340 -0.000 0.000 0.202 11 Q C -0.650 175.277 176.000 -0.121 0.000 0.915 11 Q CA 0.335 56.147 55.803 0.014 0.000 0.943 11 Q CB 0.640 29.385 28.738 0.011 0.000 1.064 11 Q HN 0.647 nan 8.270 nan 0.000 0.511 12 Y N 1.162 121.467 120.300 0.009 0.000 2.446 12 Y HA 0.374 4.924 4.550 -0.000 0.000 0.345 12 Y C -2.253 173.634 175.900 -0.023 0.000 0.984 12 Y CA -3.160 54.938 58.100 -0.002 0.000 1.058 12 Y CB 1.309 39.767 38.460 -0.003 0.000 1.220 12 Y HN -0.082 nan 8.280 nan 0.000 0.455 13 P HA 0.286 nan 4.420 nan 0.000 0.285 13 P C -1.140 176.146 177.300 -0.024 0.000 1.259 13 P CA -0.268 62.848 63.100 0.026 0.000 0.794 13 P CB 1.859 33.565 31.700 0.010 0.000 0.940 14 V N 3.870 123.754 119.914 -0.051 0.000 2.448 14 V HA 0.310 4.430 4.120 -0.000 0.000 0.295 14 V C 0.253 176.262 176.094 -0.142 0.000 1.025 14 V CA -0.751 61.481 62.300 -0.113 0.000 0.859 14 V CB 2.042 33.821 31.823 -0.073 0.000 0.988 14 V HN 0.282 nan 8.190 nan 0.000 0.431 15 V N 3.657 123.436 119.914 -0.224 0.000 2.409 15 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 15 V C -0.491 175.386 176.094 -0.362 0.000 1.020 15 V CA -0.615 61.551 62.300 -0.222 0.000 0.848 15 V CB 1.746 33.511 31.823 -0.097 0.000 0.990 15 V HN 0.826 nan 8.190 nan 0.000 0.430 16 D N 3.411 123.606 120.400 -0.341 0.000 2.225 16 D HA 0.381 5.020 4.640 -0.000 0.000 0.248 16 D C -0.438 175.604 176.300 -0.430 0.000 1.096 16 D CA -0.202 53.605 54.000 -0.321 0.000 0.863 16 D CB 1.071 41.780 40.800 -0.152 0.000 1.156 16 D HN 0.513 nan 8.370 nan 0.000 0.450 17 H N 1.139 120.122 119.070 -0.145 0.000 2.492 17 H HA 0.333 4.889 4.556 -0.000 0.000 0.345 17 H C -0.262 175.127 175.328 0.101 0.000 1.136 17 H CA -0.333 55.714 56.048 -0.003 0.000 1.202 17 H CB 1.795 31.596 29.762 0.063 0.000 1.524 17 H HN 0.315 nan 8.280 nan 0.000 0.506 18 E N 2.740 122.991 120.200 0.085 0.000 2.145 18 E HA 0.329 4.679 4.350 -0.000 0.000 0.262 18 E C -1.024 175.471 176.600 -0.175 0.000 0.883 18 E CA -0.322 56.093 56.400 0.026 0.000 0.748 18 E CB 1.238 30.913 29.700 -0.042 0.000 1.140 18 E HN 0.276 nan 8.360 nan 0.000 0.417 19 F N 0.593 120.622 119.950 0.132 0.000 2.603 19 F HA 0.222 4.749 4.527 -0.000 0.000 0.317 19 F C 1.157 177.017 175.800 0.101 0.000 1.066 19 F CA -0.831 57.240 58.000 0.119 0.000 0.941 19 F CB 1.488 40.558 39.000 0.116 0.000 1.291 19 F HN 0.284 nan 8.300 nan 0.000 0.472 20 D N 0.804 121.393 120.400 0.314 0.000 2.097 20 D HA 0.112 4.752 4.640 -0.000 0.000 0.197 20 D C 0.307 176.736 176.300 0.215 0.000 0.984 20 D CA 1.446 55.605 54.000 0.265 0.000 0.826 20 D CB 0.113 41.130 40.800 0.362 0.000 0.973 20 D HN 0.448 nan 8.370 nan 0.000 0.460 21 A N -0.591 122.334 122.820 0.175 0.000 2.539 21 A HA 0.602 4.922 4.320 -0.000 0.000 0.296 21 A C -1.301 176.244 177.584 -0.066 0.000 1.073 21 A CA -0.577 51.469 52.037 0.014 0.000 0.700 21 A CB 1.913 20.829 19.000 -0.139 0.000 1.296 21 A HN -0.110 nan 8.150 nan 0.000 0.405 22 V N 1.165 120.995 119.914 -0.141 0.000 2.540 22 V HA 0.539 4.659 4.120 -0.000 0.000 0.302 22 V C -0.540 175.383 176.094 -0.285 0.000 1.035 22 V CA -0.566 61.565 62.300 -0.282 0.000 0.873 22 V CB 1.592 33.252 31.823 -0.271 0.000 0.992 22 V HN 0.698 nan 8.190 nan 0.000 0.428 23 V N 5.255 124.958 119.914 -0.352 0.000 2.435 23 V HA 0.483 4.603 4.120 -0.000 0.000 0.290 23 V C -0.239 175.672 176.094 -0.305 0.000 1.030 23 V CA -0.591 61.532 62.300 -0.295 0.000 0.881 23 V CB 1.966 33.610 31.823 -0.297 0.000 0.983 23 V HN 0.608 nan 8.190 nan 0.000 0.445 24 V N 4.062 123.838 119.914 -0.231 0.000 2.313 24 V HA 0.911 5.030 4.120 -0.000 0.000 0.278 24 V C 0.450 176.451 176.094 -0.154 0.000 1.017 24 V CA 0.241 62.412 62.300 -0.215 0.000 0.823 24 V CB 0.716 32.422 31.823 -0.196 0.000 1.010 24 V HN 1.292 nan 8.190 nan 0.000 0.443 25 G N 3.962 112.680 108.800 -0.138 0.000 2.841 25 G HA2 0.418 4.378 3.960 -0.000 0.000 0.684 25 G HA3 0.418 4.378 3.960 -0.000 0.000 0.684 25 G C -0.403 174.458 174.900 -0.064 0.000 1.273 25 G CA -0.223 44.827 45.100 -0.084 0.000 0.811 25 G HN 1.440 nan 8.290 nan 0.000 0.631 26 A N 1.162 123.968 122.820 -0.024 0.000 2.956 26 A HA 0.826 5.146 4.320 -0.000 0.000 0.294 26 A C 1.114 178.705 177.584 0.011 0.000 0.993 26 A CA 1.057 53.098 52.037 0.007 0.000 1.032 26 A CB -0.083 18.946 19.000 0.049 0.000 1.129 26 A HN 2.096 nan 8.150 nan 0.000 0.505 27 G N -0.371 108.433 108.800 0.008 0.000 2.773 27 G HA2 0.451 4.411 3.960 -0.000 0.000 0.186 27 G HA3 0.451 4.411 3.960 -0.000 0.000 0.186 27 G C 1.120 176.035 174.900 0.025 0.000 1.411 27 G CA 0.266 45.375 45.100 0.016 0.000 1.054 27 G HN 0.568 nan 8.290 nan 0.000 0.579 28 G N 0.198 109.017 108.800 0.032 0.000 2.511 28 G HA2 0.016 3.976 3.960 -0.000 0.000 0.216 28 G HA3 0.016 3.976 3.960 -0.000 0.000 0.216 28 G C 2.054 176.970 174.900 0.027 0.000 1.218 28 G CA 2.290 47.414 45.100 0.041 0.000 0.788 28 G HN 0.961 nan 8.290 nan 0.000 0.560 29 A N 0.877 123.713 122.820 0.027 0.000 1.873 29 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 29 A C 2.760 180.320 177.584 -0.041 0.000 1.193 29 A CA 2.508 54.550 52.037 0.008 0.000 0.629 29 A CB -1.379 17.641 19.000 0.033 0.000 0.826 29 A HN 0.705 nan 8.150 nan 0.000 0.447 30 G N -0.155 108.622 108.800 -0.037 0.000 2.514 30 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 30 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 30 G C 1.577 176.427 174.900 -0.083 0.000 1.198 30 G CA 1.203 46.260 45.100 -0.071 0.000 0.780 30 G HN 0.445 nan 8.290 nan 0.000 0.565 31 L N -0.259 120.960 121.223 -0.007 0.000 2.013 31 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 31 L C 2.951 179.755 176.870 -0.110 0.000 1.073 31 L CA 1.530 56.414 54.840 0.073 0.000 0.753 31 L CB -0.372 41.808 42.059 0.201 0.000 0.890 31 L HN 0.151 nan 8.230 nan 0.000 0.432 32 R N 0.322 120.690 120.500 -0.218 0.000 2.152 32 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 32 R C 2.078 178.017 176.300 -0.602 0.000 1.117 32 R CA 1.507 57.274 56.100 -0.555 0.000 0.981 32 R CB -0.400 29.744 30.300 -0.261 0.000 0.870 32 R HN 0.372 nan 8.270 nan 0.000 0.451 33 A N -0.490 122.112 122.820 -0.363 0.000 1.935 33 A HA 0.219 4.539 4.320 -0.000 0.000 0.214 33 A C 2.226 179.600 177.584 -0.349 0.000 1.178 33 A CA 0.975 52.815 52.037 -0.329 0.000 0.640 33 A CB -0.679 18.179 19.000 -0.236 0.000 0.825 33 A HN 0.391 nan 8.150 nan 0.000 0.447 34 A N 0.381 123.018 122.820 -0.305 0.000 1.835 34 A HA -0.012 4.308 4.320 -0.000 0.000 0.215 34 A C 1.951 179.417 177.584 -0.197 0.000 1.199 34 A CA 1.705 53.590 52.037 -0.255 0.000 0.615 34 A CB -1.062 17.791 19.000 -0.245 0.000 0.838 34 A HN 1.075 nan 8.150 nan 0.000 0.444 35 F N 0.331 120.151 119.950 -0.216 0.000 2.604 35 F HA 0.253 4.780 4.527 -0.000 0.000 0.298 35 F C 1.846 177.373 175.800 -0.455 0.000 1.131 35 F CA 0.444 58.223 58.000 -0.368 0.000 1.457 35 F CB -1.052 37.691 39.000 -0.429 0.000 1.095 35 F HN 0.099 nan 8.300 nan 0.000 0.574 36 G N 1.717 110.180 108.800 -0.561 0.000 2.402 36 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 36 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 36 G C 1.676 176.439 174.900 -0.228 0.000 1.162 36 G CA 1.014 45.876 45.100 -0.396 0.000 0.777 36 G HN 0.451 nan 8.290 nan 0.000 0.539 37 L N 0.586 121.663 121.223 -0.243 0.000 1.976 37 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 37 L C 3.163 180.045 176.870 0.019 0.000 1.071 37 L CA 1.328 56.056 54.840 -0.188 0.000 0.746 37 L CB -0.584 41.303 42.059 -0.287 0.000 0.890 37 L HN 0.155 nan 8.230 nan 0.000 0.432 38 S N -0.674 115.026 115.700 -0.000 0.000 2.400 38 S HA -0.255 4.214 4.470 -0.000 0.000 0.232 38 S C 1.859 176.515 174.600 0.094 0.000 1.025 38 S CA 1.529 59.783 58.200 0.090 0.000 0.993 38 S CB -0.282 62.978 63.200 0.101 0.000 0.808 38 S HN 0.443 nan 8.310 nan 0.000 0.478 39 E N 0.733 120.910 120.200 -0.038 0.000 2.268 39 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 39 E C 1.505 178.169 176.600 0.106 0.000 0.995 39 E CA 0.868 57.280 56.400 0.021 0.000 0.836 39 E CB -0.109 29.528 29.700 -0.104 0.000 0.763 39 E HN 0.494 nan 8.360 nan 0.000 0.491 40 A N -0.235 122.666 122.820 0.134 0.000 2.308 40 A HA 0.376 4.696 4.320 -0.000 0.000 0.217 40 A C 1.597 179.306 177.584 0.208 0.000 1.216 40 A CA 0.681 52.844 52.037 0.210 0.000 0.864 40 A CB 0.072 19.250 19.000 0.296 0.000 0.902 40 A HN 0.451 nan 8.150 nan 0.000 0.499 41 G N -1.685 107.218 108.800 0.172 0.000 2.195 41 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.224 41 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.224 41 G C -0.010 174.890 174.900 0.001 0.000 0.990 41 G CA 0.004 45.124 45.100 0.033 0.000 0.639 41 G HN 0.300 nan 8.290 nan 0.000 0.514 42 F N 0.964 120.924 119.950 0.016 0.000 2.380 42 F HA 0.571 5.098 4.527 -0.000 0.000 0.325 42 F C 0.793 176.630 175.800 0.061 0.000 1.136 42 F CA -1.128 56.888 58.000 0.026 0.000 1.171 42 F CB 0.598 39.599 39.000 0.001 0.000 1.230 42 F HN 0.005 nan 8.300 nan 0.000 0.554 43 N N 1.024 119.894 118.700 0.284 0.000 2.555 43 N HA 0.149 4.889 4.740 -0.000 0.000 0.244 43 N C -0.952 174.796 175.510 0.396 0.000 1.114 43 N CA -0.028 53.190 53.050 0.280 0.000 0.963 43 N CB 0.087 38.691 38.487 0.195 0.000 1.276 43 N HN 0.522 nan 8.380 nan 0.000 0.510 44 T N 1.229 115.939 114.554 0.260 0.000 2.913 44 T HA 0.685 5.035 4.350 -0.000 0.000 0.287 44 T C -0.205 174.451 174.700 -0.074 0.000 1.008 44 T CA -0.609 61.536 62.100 0.075 0.000 1.067 44 T CB 1.370 70.209 68.868 -0.048 0.000 0.996 44 T HN 0.483 nan 8.240 nan 0.000 0.513 45 A N 0.883 123.434 122.820 -0.449 0.000 2.381 45 A HA 0.597 4.917 4.320 -0.000 0.000 0.299 45 A C -0.516 176.706 177.584 -0.603 0.000 1.049 45 A CA -0.696 50.889 52.037 -0.752 0.000 0.715 45 A CB 1.008 18.937 19.000 -1.785 0.000 1.222 45 A HN 0.955 nan 8.150 nan 0.000 0.428 46 C N 3.389 122.355 119.300 -0.555 0.000 2.298 46 C HA 0.714 5.174 4.460 -0.000 0.000 0.323 46 C C -0.428 174.339 174.990 -0.372 0.000 1.284 46 C CA -0.157 58.530 59.018 -0.550 0.000 1.577 46 C CB -0.242 26.990 27.740 -0.847 0.000 2.249 46 C HN 0.685 nan 8.230 nan 0.000 0.497 47 V N 6.068 125.742 119.914 -0.400 0.000 2.384 47 V HA 0.713 4.833 4.120 -0.000 0.000 0.287 47 V C 0.348 176.345 176.094 -0.162 0.000 1.020 47 V CA 0.021 62.119 62.300 -0.337 0.000 0.850 47 V CB 1.754 33.218 31.823 -0.597 0.000 0.987 47 V HN 0.969 nan 8.190 nan 0.000 0.436 48 T N 3.134 117.680 114.554 -0.012 0.000 2.900 48 T HA 0.422 4.772 4.350 -0.000 0.000 0.303 48 T C 0.445 175.214 174.700 0.114 0.000 1.142 48 T CA -0.531 61.584 62.100 0.025 0.000 1.007 48 T CB 1.907 70.801 68.868 0.043 0.000 1.156 48 T HN 0.792 nan 8.240 nan 0.000 0.490 49 K N 2.591 123.044 120.400 0.088 0.000 2.367 49 K HA 0.418 4.738 4.320 -0.000 0.000 0.194 49 K C 0.242 176.938 176.600 0.159 0.000 1.027 49 K CA -0.082 56.291 56.287 0.142 0.000 1.075 49 K CB 0.229 32.820 32.500 0.152 0.000 0.845 49 K HN 0.398 nan 8.250 nan 0.000 0.529 50 L N 0.723 122.039 121.223 0.154 0.000 2.309 50 L HA 0.443 4.783 4.340 -0.000 0.000 0.261 50 L C -0.684 176.307 176.870 0.201 0.000 1.021 50 L CA -1.573 53.381 54.840 0.190 0.000 0.823 50 L CB 1.355 43.505 42.059 0.152 0.000 1.366 50 L HN -0.094 nan 8.230 nan 0.000 0.423 51 F N 2.780 122.797 119.950 0.112 0.000 2.495 51 F HA 0.221 4.748 4.527 -0.000 0.000 0.365 51 F C -1.548 174.260 175.800 0.013 0.000 1.090 51 F CA -1.549 56.491 58.000 0.067 0.000 1.235 51 F CB 0.829 39.847 39.000 0.029 0.000 1.119 51 F HN 0.283 nan 8.300 nan 0.000 0.562 52 P HA -0.311 nan 4.420 nan 0.000 0.221 52 P C 1.463 178.544 177.300 -0.365 0.000 1.160 52 P CA 3.445 66.283 63.100 -0.436 0.000 0.933 52 P CB -0.335 31.100 31.700 -0.442 0.000 0.793 53 T N -3.600 110.628 114.554 -0.544 0.000 3.139 53 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 53 T C 1.376 176.025 174.700 -0.085 0.000 1.164 53 T CA 0.685 62.577 62.100 -0.345 0.000 1.075 53 T CB -0.573 68.069 68.868 -0.377 0.000 0.904 53 T HN 0.046 nan 8.240 nan 0.000 0.540 54 R N 1.282 121.794 120.500 0.020 0.000 2.300 54 R HA 0.308 4.648 4.340 -0.000 0.000 0.199 54 R C 0.812 177.161 176.300 0.082 0.000 0.920 54 R CA -0.052 56.106 56.100 0.098 0.000 1.046 54 R CB -0.394 30.004 30.300 0.164 0.000 0.984 54 R HN 0.374 nan 8.270 nan 0.000 0.493 55 S N 1.157 116.880 115.700 0.039 0.000 2.559 55 S HA -0.090 4.380 4.470 -0.000 0.000 0.282 55 S C 1.154 175.808 174.600 0.090 0.000 1.336 55 S CA -0.086 58.150 58.200 0.061 0.000 1.037 55 S CB 0.535 63.749 63.200 0.024 0.000 0.853 55 S HN 0.388 nan 8.310 nan 0.000 0.523 56 H N 2.195 121.276 119.070 0.020 0.000 2.489 56 H HA -0.080 4.476 4.556 -0.000 0.000 0.295 56 H C 1.849 177.188 175.328 0.017 0.000 1.082 56 H CA 2.154 58.210 56.048 0.014 0.000 1.295 56 H CB -0.430 29.328 29.762 -0.008 0.000 1.380 56 H HN 0.631 nan 8.280 nan 0.000 0.548 57 T N -0.859 113.693 114.554 -0.004 0.000 2.759 57 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 57 T C 2.126 176.784 174.700 -0.070 0.000 1.042 57 T CA 1.281 63.356 62.100 -0.041 0.000 1.140 57 T CB -0.689 68.181 68.868 0.003 0.000 0.864 57 T HN 0.252 nan 8.240 nan 0.000 0.455 58 V N 1.146 121.032 119.914 -0.047 0.000 2.982 58 V HA -0.065 4.055 4.120 -0.000 0.000 0.265 58 V C 2.211 178.316 176.094 0.019 0.000 1.122 58 V CA 1.521 63.828 62.300 0.012 0.000 1.143 58 V CB -0.742 31.109 31.823 0.047 0.000 0.726 58 V HN 0.540 nan 8.190 nan 0.000 0.507 59 A N -0.650 122.097 122.820 -0.122 0.000 2.220 59 A HA 0.623 4.943 4.320 -0.000 0.000 0.211 59 A C 1.320 178.831 177.584 -0.121 0.000 1.176 59 A CA 0.612 52.559 52.037 -0.150 0.000 0.834 59 A CB -0.263 18.542 19.000 -0.325 0.000 0.868 59 A HN 0.721 nan 8.150 nan 0.000 0.488 60 A N 0.026 122.783 122.820 -0.105 0.000 2.498 60 A HA 0.375 4.695 4.320 -0.000 0.000 0.239 60 A C 0.819 178.421 177.584 0.029 0.000 1.068 60 A CA 0.423 52.445 52.037 -0.024 0.000 0.766 60 A CB 0.161 19.157 19.000 -0.006 0.000 1.003 60 A HN 0.611 nan 8.150 nan 0.000 0.497 61 Q N 2.409 122.246 119.800 0.060 0.000 2.642 61 Q HA 0.146 4.486 4.340 -0.000 0.000 0.202 61 Q C 2.113 178.186 176.000 0.122 0.000 0.845 61 Q CA 0.327 56.178 55.803 0.081 0.000 0.873 61 Q CB -0.360 28.420 28.738 0.069 0.000 1.190 61 Q HN 0.830 nan 8.270 nan 0.000 0.642 62 G N 1.170 110.089 108.800 0.198 0.000 2.719 62 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.219 62 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.219 62 G C 0.661 175.586 174.900 0.042 0.000 1.234 62 G CA 1.327 46.603 45.100 0.293 0.000 0.788 62 G HN 0.592 nan 8.290 nan 0.000 0.619 63 G N -1.790 106.951 108.800 -0.098 0.000 2.344 63 G HA2 0.386 4.346 3.960 -0.000 0.000 0.282 63 G HA3 0.386 4.346 3.960 -0.000 0.000 0.282 63 G C -1.829 172.988 174.900 -0.137 0.000 1.281 63 G CA -0.176 44.850 45.100 -0.124 0.000 0.877 63 G HN 0.892 nan 8.290 nan 0.000 0.494 64 I N 0.924 121.439 120.570 -0.092 0.000 2.548 64 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 64 I C -1.029 175.028 176.117 -0.100 0.000 1.103 64 I CA -0.997 60.269 61.300 -0.057 0.000 1.049 64 I CB 1.609 39.636 38.000 0.045 0.000 1.232 64 I HN 0.457 nan 8.210 nan 0.000 0.429 65 N N 6.230 124.864 118.700 -0.111 0.000 2.518 65 N HA 0.596 5.336 4.740 -0.000 0.000 0.266 65 N C -0.598 174.817 175.510 -0.158 0.000 1.196 65 N CA 0.013 52.959 53.050 -0.173 0.000 0.947 65 N CB 1.721 40.129 38.487 -0.132 0.000 1.098 65 N HN 0.684 nan 8.380 nan 0.000 0.450 66 A N 0.200 122.853 122.820 -0.279 0.000 2.565 66 A HA 0.594 4.914 4.320 -0.000 0.000 0.298 66 A C -0.795 176.657 177.584 -0.220 0.000 1.062 66 A CA -0.730 51.190 52.037 -0.196 0.000 0.723 66 A CB 0.699 19.611 19.000 -0.146 0.000 1.282 66 A HN 0.580 nan 8.150 nan 0.000 0.400 67 A N 2.207 124.948 122.820 -0.131 0.000 3.118 67 A HA 0.493 4.813 4.320 -0.000 0.000 0.256 67 A C 0.861 178.388 177.584 -0.094 0.000 1.667 67 A CA -0.135 51.842 52.037 -0.100 0.000 1.338 67 A CB -1.031 17.965 19.000 -0.007 0.000 1.127 67 A HN 0.853 nan 8.150 nan 0.000 0.634 68 L N 0.337 121.488 121.223 -0.121 0.000 2.109 68 L HA 0.058 4.397 4.340 -0.000 0.000 0.207 68 L C 1.950 178.761 176.870 -0.098 0.000 1.086 68 L CA 1.153 55.923 54.840 -0.116 0.000 0.760 68 L CB -0.275 41.695 42.059 -0.148 0.000 0.910 68 L HN 0.781 nan 8.230 nan 0.000 0.437 69 G N 0.120 108.864 108.800 -0.094 0.000 2.137 69 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.237 69 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.237 69 G C 0.383 175.243 174.900 -0.066 0.000 1.002 69 G CA 0.480 45.535 45.100 -0.074 0.000 0.702 69 G HN 0.356 nan 8.290 nan 0.000 0.515 70 N N -0.225 118.427 118.700 -0.079 0.000 2.515 70 N HA 0.143 4.883 4.740 -0.000 0.000 0.185 70 N C 2.050 177.524 175.510 -0.060 0.000 1.109 70 N CA 1.148 54.157 53.050 -0.067 0.000 0.903 70 N CB -0.029 38.410 38.487 -0.080 0.000 0.969 70 N HN 0.487 nan 8.380 nan 0.000 0.450 71 M N -0.414 119.144 119.600 -0.071 0.000 2.338 71 M HA 0.238 4.717 4.480 -0.000 0.000 0.276 71 M C -0.004 176.246 176.300 -0.084 0.000 1.057 71 M CA 0.448 55.694 55.300 -0.090 0.000 1.079 71 M CB 0.242 32.766 32.600 -0.127 0.000 1.547 71 M HN 0.135 nan 8.290 nan 0.000 0.549 72 E N -0.411 119.762 120.200 -0.045 0.000 2.411 72 E HA 0.161 4.511 4.350 -0.000 0.000 0.279 72 E C -1.880 174.722 176.600 0.003 0.000 1.132 72 E CA -0.662 55.729 56.400 -0.015 0.000 0.876 72 E CB 0.551 30.251 29.700 0.001 0.000 1.335 72 E HN -0.075 nan 8.360 nan 0.000 0.436 73 D N 0.996 121.411 120.400 0.024 0.000 2.455 73 D HA 0.268 4.907 4.640 -0.000 0.000 0.241 73 D C -0.668 175.638 176.300 0.010 0.000 1.138 73 D CA 0.913 54.916 54.000 0.006 0.000 0.877 73 D CB 0.907 41.728 40.800 0.035 0.000 1.187 73 D HN 0.326 nan 8.370 nan 0.000 0.451 74 D N 0.564 120.881 120.400 -0.138 0.000 2.592 74 D HA 0.359 4.999 4.640 -0.000 0.000 0.263 74 D C -1.224 174.672 176.300 -0.673 0.000 1.132 74 D CA -0.629 53.208 54.000 -0.272 0.000 0.996 74 D CB 1.555 42.279 40.800 -0.127 0.000 1.442 74 D HN 0.142 nan 8.370 nan 0.000 0.486 75 N N 1.244 119.366 118.700 -0.963 0.000 2.478 75 N HA 0.060 4.799 4.740 -0.000 0.000 0.291 75 N C 0.820 175.951 175.510 -0.631 0.000 1.090 75 N CA -0.566 51.825 53.050 -1.098 0.000 0.911 75 N CB 0.923 38.097 38.487 -2.188 0.000 1.546 75 N HN 0.635 nan 8.380 nan 0.000 0.500 76 W N 4.574 125.696 121.300 -0.297 0.000 2.424 76 W HA -0.072 4.588 4.660 -0.000 0.000 0.264 76 W C 0.464 176.991 176.519 0.012 0.000 1.229 76 W CA 0.219 57.521 57.345 -0.071 0.000 1.208 76 W CB -0.280 29.158 29.460 -0.036 0.000 1.127 76 W HN 0.425 nan 8.180 nan 0.000 0.588 77 R N -0.516 119.499 120.500 -0.809 0.000 2.153 77 R HA -0.089 4.251 4.340 -0.000 0.000 0.218 77 R C 2.018 178.274 176.300 -0.073 0.000 1.072 77 R CA 1.670 57.385 56.100 -0.641 0.000 0.990 77 R CB -0.638 29.167 30.300 -0.824 0.000 0.889 77 R HN 0.119 nan 8.270 nan 0.000 0.452 78 W N 0.277 121.326 121.300 -0.418 0.000 2.436 78 W HA -0.060 4.600 4.660 -0.000 0.000 0.284 78 W C 1.974 178.521 176.519 0.046 0.000 1.225 78 W CA 0.440 57.533 57.345 -0.420 0.000 1.271 78 W CB -1.210 27.988 29.460 -0.437 0.000 1.114 78 W HN 0.317 nan 8.180 nan 0.000 0.559 79 H N -1.112 118.090 119.070 0.221 0.000 2.357 79 H HA -0.218 4.338 4.556 -0.000 0.000 0.301 79 H C 2.229 177.714 175.328 0.261 0.000 1.082 79 H CA 1.680 57.859 56.048 0.220 0.000 1.342 79 H CB -0.448 29.436 29.762 0.202 0.000 1.389 79 H HN 0.037 nan 8.280 nan 0.000 0.511 80 F N 0.967 121.017 119.950 0.167 0.000 2.046 80 F HA -0.324 4.203 4.527 -0.000 0.000 0.297 80 F C 2.419 178.283 175.800 0.107 0.000 1.123 80 F CA 1.975 60.046 58.000 0.117 0.000 1.199 80 F CB -1.156 37.976 39.000 0.220 0.000 0.972 80 F HN 0.201 nan 8.300 nan 0.000 0.474 81 Y N 1.747 122.102 120.300 0.090 0.000 2.069 81 Y HA -0.333 4.217 4.550 -0.000 0.000 0.278 81 Y C 2.326 178.141 175.900 -0.143 0.000 1.175 81 Y CA 2.301 60.391 58.100 -0.017 0.000 1.134 81 Y CB -0.965 37.644 38.460 0.249 0.000 0.965 81 Y HN 0.182 nan 8.280 nan 0.000 0.498 82 D N -0.707 119.718 120.400 0.042 0.000 2.106 82 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 82 D C 2.139 178.323 176.300 -0.194 0.000 0.997 82 D CA 2.315 56.300 54.000 -0.024 0.000 0.834 82 D CB -0.712 40.194 40.800 0.178 0.000 0.956 82 D HN 0.421 nan 8.370 nan 0.000 0.448 83 T N 0.608 115.031 114.554 -0.218 0.000 2.788 83 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 83 T C 2.255 176.707 174.700 -0.413 0.000 1.044 83 T CA 0.600 62.551 62.100 -0.249 0.000 1.139 83 T CB -0.260 68.471 68.868 -0.227 0.000 0.867 83 T HN -0.020 nan 8.240 nan 0.000 0.454 84 V N 1.454 120.977 119.914 -0.653 0.000 2.307 84 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 84 V C 2.517 177.977 176.094 -1.056 0.000 1.045 84 V CA 1.596 63.406 62.300 -0.817 0.000 1.024 84 V CB -0.470 30.794 31.823 -0.932 0.000 0.651 84 V HN 0.428 nan 8.190 nan 0.000 0.449 85 K N 0.206 119.986 120.400 -1.034 0.000 2.097 85 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 85 K C 2.163 178.437 176.600 -0.544 0.000 1.050 85 K CA 1.519 57.177 56.287 -1.049 0.000 0.938 85 K CB -0.586 31.458 32.500 -0.759 0.000 0.718 85 K HN 0.470 nan 8.250 nan 0.000 0.442 86 G N 0.712 109.317 108.800 -0.324 0.000 2.446 86 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 86 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 86 G C 1.248 176.064 174.900 -0.140 0.000 1.168 86 G CA 1.188 46.224 45.100 -0.107 0.000 0.771 86 G HN 0.493 nan 8.290 nan 0.000 0.551 87 S N 0.514 116.066 115.700 -0.246 0.000 2.906 87 S HA 0.083 4.553 4.470 -0.000 0.000 0.234 87 S C 0.769 175.257 174.600 -0.186 0.000 0.973 87 S CA 0.655 58.743 58.200 -0.187 0.000 1.036 87 S CB -0.259 62.826 63.200 -0.192 0.000 0.798 87 S HN 0.340 nan 8.310 nan 0.000 0.498 88 D N 1.609 121.916 120.400 -0.154 0.000 2.733 88 D HA -0.220 4.420 4.640 -0.000 0.000 0.228 88 D C -0.326 176.077 176.300 0.170 0.000 1.182 88 D CA 0.982 55.018 54.000 0.060 0.000 0.620 88 D CB -1.473 39.418 40.800 0.153 0.000 1.027 88 D HN 0.780 nan 8.370 nan 0.000 0.415 89 W N -1.941 119.319 121.300 -0.067 0.000 5.271 89 W HA -0.306 4.354 4.660 -0.000 0.000 0.364 89 W C 1.181 177.661 176.519 -0.064 0.000 1.342 89 W CA 0.503 57.803 57.345 -0.075 0.000 0.899 89 W CB -1.949 27.460 29.460 -0.086 0.000 2.450 89 W HN 0.323 nan 8.180 nan 0.000 1.508 90 L N -0.185 121.024 121.223 -0.023 0.000 2.731 90 L HA 0.450 4.790 4.340 -0.000 0.000 0.240 90 L C 1.448 178.313 176.870 -0.008 0.000 1.120 90 L CA 1.395 56.197 54.840 -0.063 0.000 0.913 90 L CB 0.095 42.045 42.059 -0.182 0.000 1.213 90 L HN -0.055 nan 8.230 nan 0.000 0.515 91 G N -0.209 108.564 108.800 -0.045 0.000 2.372 91 G HA2 0.249 4.209 3.960 -0.000 0.000 0.283 91 G HA3 0.249 4.209 3.960 -0.000 0.000 0.283 91 G C -0.953 173.975 174.900 0.046 0.000 1.177 91 G CA -0.500 44.593 45.100 -0.011 0.000 0.842 91 G HN 0.119 nan 8.290 nan 0.000 0.503 92 D N 2.019 122.478 120.400 0.099 0.000 2.342 92 D HA 0.054 4.694 4.640 -0.000 0.000 0.260 92 D C 1.516 177.895 176.300 0.132 0.000 1.278 92 D CA 0.193 54.276 54.000 0.137 0.000 0.910 92 D CB 1.408 42.287 40.800 0.132 0.000 1.079 92 D HN 0.503 nan 8.370 nan 0.000 0.496 93 Q N 1.439 121.339 119.800 0.168 0.000 2.297 93 Q HA -0.164 4.176 4.340 -0.000 0.000 0.208 93 Q C 1.308 177.527 176.000 0.364 0.000 0.981 93 Q CA 1.000 56.970 55.803 0.278 0.000 0.876 93 Q CB 0.169 29.115 28.738 0.346 0.000 0.921 93 Q HN 0.541 nan 8.270 nan 0.000 0.446 94 D N 0.742 121.293 120.400 0.253 0.000 2.117 94 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 94 D C 1.792 178.205 176.300 0.189 0.000 0.982 94 D CA 1.351 55.466 54.000 0.192 0.000 0.828 94 D CB -0.399 40.475 40.800 0.124 0.000 0.967 94 D HN 0.173 nan 8.370 nan 0.000 0.464 95 A N 1.192 124.142 122.820 0.217 0.000 1.902 95 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 95 A C 2.555 180.344 177.584 0.341 0.000 1.181 95 A CA 1.293 53.486 52.037 0.260 0.000 0.623 95 A CB -0.899 18.147 19.000 0.078 0.000 0.818 95 A HN 0.291 nan 8.150 nan 0.000 0.443 96 I N -1.400 119.339 120.570 0.280 0.000 2.614 96 I HA -0.225 3.945 4.170 -0.000 0.000 0.258 96 I C 2.351 178.789 176.117 0.534 0.000 1.189 96 I CA 1.397 62.875 61.300 0.297 0.000 1.462 96 I CB -0.494 37.575 38.000 0.114 0.000 1.092 96 I HN 0.592 nan 8.210 nan 0.000 0.442 97 H N 0.080 119.392 119.070 0.404 0.000 2.284 97 H HA -0.253 4.303 4.556 -0.000 0.000 0.304 97 H C 2.415 177.792 175.328 0.081 0.000 1.069 97 H CA 1.707 57.912 56.048 0.263 0.000 1.327 97 H CB -0.046 29.761 29.762 0.074 0.000 1.387 97 H HN 0.242 nan 8.280 nan 0.000 0.498 98 Y N 1.023 121.304 120.300 -0.032 0.000 2.097 98 Y HA -0.360 4.190 4.550 -0.000 0.000 0.282 98 Y C 2.950 178.750 175.900 -0.166 0.000 1.152 98 Y CA 2.173 60.144 58.100 -0.216 0.000 1.136 98 Y CB -0.396 37.986 38.460 -0.130 0.000 0.975 98 Y HN 0.272 nan 8.280 nan 0.000 0.498 99 M N -0.263 119.462 119.600 0.207 0.000 2.110 99 M HA -0.288 4.192 4.480 -0.000 0.000 0.257 99 M C 2.123 178.388 176.300 -0.058 0.000 1.071 99 M CA 3.088 58.419 55.300 0.052 0.000 1.096 99 M CB -0.559 32.203 32.600 0.271 0.000 1.300 99 M HN 0.489 nan 8.290 nan 0.000 0.411 100 T N -2.584 111.991 114.554 0.035 0.000 2.995 100 T HA -0.136 4.214 4.350 -0.000 0.000 0.269 100 T C 1.523 176.190 174.700 -0.055 0.000 1.091 100 T CA 1.461 63.613 62.100 0.088 0.000 1.128 100 T CB -0.475 68.538 68.868 0.242 0.000 0.891 100 T HN 0.704 nan 8.240 nan 0.000 0.492 101 E N 0.073 119.954 120.200 -0.532 0.000 2.340 101 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 101 E C 1.953 178.083 176.600 -0.784 0.000 0.996 101 E CA 0.122 55.780 56.400 -1.236 0.000 0.869 101 E CB 0.110 28.735 29.700 -1.793 0.000 0.835 101 E HN 0.360 nan 8.360 nan 0.000 0.493 102 Q N -0.198 119.225 119.800 -0.629 0.000 2.402 102 Q HA 0.137 4.477 4.340 -0.000 0.000 0.206 102 Q C 1.894 177.694 176.000 -0.334 0.000 0.919 102 Q CA 0.700 56.175 55.803 -0.547 0.000 0.923 102 Q CB 0.501 28.793 28.738 -0.744 0.000 1.048 102 Q HN 0.302 nan 8.270 nan 0.000 0.515 103 A N 2.520 125.201 122.820 -0.231 0.000 1.859 103 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 103 A C -0.432 177.079 177.584 -0.122 0.000 1.209 103 A CA 1.776 53.747 52.037 -0.109 0.000 0.639 103 A CB -1.753 17.267 19.000 0.033 0.000 0.835 103 A HN 0.242 nan 8.150 nan 0.000 0.450 104 P HA -0.209 nan 4.420 nan 0.000 0.216 104 P C 1.770 178.987 177.300 -0.139 0.000 1.157 104 P CA 2.293 65.317 63.100 -0.126 0.000 0.880 104 P CB -0.192 31.441 31.700 -0.112 0.000 0.791 105 A N -0.256 122.467 122.820 -0.162 0.000 1.877 105 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 105 A C 2.352 179.845 177.584 -0.150 0.000 1.186 105 A CA 2.267 54.210 52.037 -0.156 0.000 0.620 105 A CB -1.660 17.230 19.000 -0.183 0.000 0.822 105 A HN 0.195 nan 8.150 nan 0.000 0.443 106 A N -0.588 122.139 122.820 -0.156 0.000 1.883 106 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 106 A C 2.270 179.793 177.584 -0.103 0.000 1.186 106 A CA 2.005 53.963 52.037 -0.132 0.000 0.624 106 A CB -1.053 17.874 19.000 -0.121 0.000 0.822 106 A HN 0.413 nan 8.150 nan 0.000 0.444 107 V N 0.170 120.031 119.914 -0.087 0.000 2.295 107 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 107 V C 2.433 178.489 176.094 -0.064 0.000 1.049 107 V CA 2.017 64.286 62.300 -0.053 0.000 1.024 107 V CB -0.660 31.083 31.823 -0.133 0.000 0.648 107 V HN 0.580 nan 8.190 nan 0.000 0.447 108 I N 0.084 120.586 120.570 -0.112 0.000 2.264 108 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 108 I C 2.590 178.640 176.117 -0.112 0.000 1.111 108 I CA 2.019 63.260 61.300 -0.099 0.000 1.382 108 I CB -0.370 37.570 38.000 -0.100 0.000 1.060 108 I HN 0.475 nan 8.210 nan 0.000 0.418 109 E N 1.393 121.480 120.200 -0.188 0.000 2.085 109 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 109 E C 2.345 178.581 176.600 -0.607 0.000 0.994 109 E CA 1.202 57.368 56.400 -0.391 0.000 0.801 109 E CB -0.012 29.444 29.700 -0.406 0.000 0.743 109 E HN 0.482 nan 8.360 nan 0.000 0.453 110 L N 0.889 121.940 121.223 -0.288 0.000 2.027 110 L HA -0.161 4.179 4.340 -0.000 0.000 0.206 110 L C 2.903 179.824 176.870 0.085 0.000 1.074 110 L CA 1.244 56.030 54.840 -0.089 0.000 0.745 110 L CB -0.572 41.560 42.059 0.121 0.000 0.898 110 L HN 0.235 nan 8.230 nan 0.000 0.433 111 E N 1.037 121.354 120.200 0.196 0.000 2.077 111 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 111 E C 1.680 178.360 176.600 0.133 0.000 0.989 111 E CA 1.508 58.057 56.400 0.249 0.000 0.800 111 E CB -0.220 29.629 29.700 0.248 0.000 0.746 111 E HN 0.566 nan 8.360 nan 0.000 0.452 112 N N -0.890 117.845 118.700 0.058 0.000 2.443 112 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 112 N C 1.754 177.396 175.510 0.220 0.000 1.037 112 N CA 0.545 53.648 53.050 0.088 0.000 0.896 112 N CB -0.065 38.446 38.487 0.040 0.000 0.959 112 N HN 0.346 nan 8.380 nan 0.000 0.442 113 Y N -0.894 119.446 120.300 0.066 0.000 2.314 113 Y HA 0.025 4.575 4.550 -0.000 0.000 0.294 113 Y C 2.055 177.970 175.900 0.026 0.000 1.119 113 Y CA 0.387 58.514 58.100 0.045 0.000 1.179 113 Y CB 0.581 39.078 38.460 0.062 0.000 1.025 113 Y HN 0.188 nan 8.280 nan 0.000 0.541 114 G N -0.583 108.339 108.800 0.203 0.000 3.254 114 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 114 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 114 G C 0.078 175.015 174.900 0.062 0.000 0.964 114 G CA -0.513 44.652 45.100 0.108 0.000 0.823 114 G HN 0.085 nan 8.290 nan 0.000 0.579 115 M N 3.590 123.216 119.600 0.043 0.000 2.487 115 M HA 0.176 4.656 4.480 -0.000 0.000 0.398 115 M C -1.426 174.791 176.300 -0.139 0.000 1.685 115 M CA -0.275 54.950 55.300 -0.125 0.000 0.988 115 M CB 0.461 32.879 32.600 -0.304 0.000 2.129 115 M HN -0.010 nan 8.290 nan 0.000 0.485 116 P HA -0.029 nan 4.420 nan 0.000 0.246 116 P C -0.770 176.519 177.300 -0.018 0.000 1.675 116 P CA 0.158 63.236 63.100 -0.036 0.000 0.908 116 P CB -0.867 30.823 31.700 -0.017 0.000 1.890 117 F N 0.615 120.596 119.950 0.051 0.000 2.629 117 F HA -0.057 4.470 4.527 -0.000 0.000 0.377 117 F C 1.633 177.470 175.800 0.062 0.000 1.101 117 F CA 0.834 58.870 58.000 0.060 0.000 1.301 117 F CB -0.063 38.968 39.000 0.052 0.000 1.062 117 F HN 0.015 nan 8.300 nan 0.000 0.583 118 S N 4.155 120.035 115.700 0.299 0.000 2.572 118 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 118 S C 0.358 175.076 174.600 0.197 0.000 1.341 118 S CA -0.758 57.543 58.200 0.168 0.000 1.043 118 S CB 0.419 63.673 63.200 0.091 0.000 0.887 118 S HN 0.319 nan 8.310 nan 0.000 0.516 119 R N 1.246 121.809 120.500 0.106 0.000 2.674 119 R HA 0.516 4.856 4.340 -0.000 0.000 0.266 119 R C 0.724 177.081 176.300 0.095 0.000 1.016 119 R CA -0.571 55.591 56.100 0.103 0.000 1.062 119 R CB 0.826 31.166 30.300 0.066 0.000 1.142 119 R HN 0.811 nan 8.270 nan 0.000 0.517 120 T N -2.277 112.339 114.554 0.103 0.000 2.880 120 T HA 0.229 4.579 4.350 -0.000 0.000 0.279 120 T C 0.947 175.677 174.700 0.049 0.000 0.990 120 T CA -0.639 61.520 62.100 0.100 0.000 0.938 120 T CB 0.904 69.824 68.868 0.087 0.000 1.206 120 T HN 0.321 nan 8.240 nan 0.000 0.573 121 E N 0.162 120.385 120.200 0.039 0.000 2.347 121 E HA -0.026 4.324 4.350 -0.000 0.000 0.196 121 E C 1.565 178.175 176.600 0.017 0.000 1.008 121 E CA 0.728 57.141 56.400 0.022 0.000 0.852 121 E CB 0.025 29.735 29.700 0.017 0.000 0.783 121 E HN 0.742 nan 8.360 nan 0.000 0.505 122 E N -0.672 119.539 120.200 0.018 0.000 2.479 122 E HA 0.117 4.467 4.350 -0.000 0.000 0.193 122 E C 0.842 177.449 176.600 0.012 0.000 1.049 122 E CA 0.329 56.736 56.400 0.011 0.000 0.870 122 E CB 0.482 30.184 29.700 0.004 0.000 0.944 122 E HN 0.266 nan 8.360 nan 0.000 0.492 123 G N 1.878 110.689 108.800 0.020 0.000 2.141 123 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 123 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 123 G C 0.166 175.080 174.900 0.024 0.000 0.982 123 G CA 0.279 45.393 45.100 0.022 0.000 0.662 123 G HN 0.151 nan 8.290 nan 0.000 0.527 124 K N -0.702 119.710 120.400 0.020 0.000 2.267 124 K HA 0.700 5.020 4.320 -0.000 0.000 0.236 124 K C 0.590 177.198 176.600 0.014 0.000 1.030 124 K CA -1.149 55.139 56.287 0.003 0.000 0.930 124 K CB 1.233 33.721 32.500 -0.020 0.000 1.182 124 K HN 0.119 nan 8.250 nan 0.000 0.474 125 I N 2.490 123.029 120.570 -0.052 0.000 2.581 125 I HA -0.058 4.112 4.170 -0.000 0.000 0.285 125 I C -0.103 175.996 176.117 -0.031 0.000 1.129 125 I CA -0.007 61.234 61.300 -0.098 0.000 1.397 125 I CB -0.168 37.599 38.000 -0.389 0.000 1.399 125 I HN 0.426 nan 8.210 nan 0.000 0.537 126 Y N 7.917 128.195 120.300 -0.037 0.000 2.526 126 Y HA 0.152 4.702 4.550 -0.000 0.000 0.330 126 Y C -0.170 175.724 175.900 -0.011 0.000 1.156 126 Y CA 0.001 58.098 58.100 -0.005 0.000 1.419 126 Y CB 0.404 38.888 38.460 0.040 0.000 1.250 126 Y HN 0.509 nan 8.280 nan 0.000 0.540 127 Q N 6.510 125.882 119.800 -0.715 0.000 2.375 127 Q HA 0.466 4.806 4.340 -0.000 0.000 0.271 127 Q C -0.970 174.620 176.000 -0.684 0.000 1.074 127 Q CA -1.177 54.293 55.803 -0.554 0.000 0.808 127 Q CB 2.602 31.176 28.738 -0.273 0.000 1.327 127 Q HN 0.796 nan 8.270 nan 0.000 0.441 128 R N 0.156 120.433 120.500 -0.371 0.000 2.893 128 R HA 0.892 5.232 4.340 -0.000 0.000 0.245 128 R C -0.746 175.554 176.300 0.001 0.000 1.192 128 R CA -0.879 55.155 56.100 -0.111 0.000 1.077 128 R CB 0.806 31.148 30.300 0.071 0.000 1.253 128 R HN 0.499 nan 8.270 nan 0.000 0.505 129 A N 0.244 123.079 122.820 0.024 0.000 2.286 129 A HA 0.683 5.003 4.320 -0.000 0.000 0.286 129 A C -1.074 176.626 177.584 0.194 0.000 1.097 129 A CA -0.333 51.656 52.037 -0.081 0.000 0.821 129 A CB 0.341 19.224 19.000 -0.194 0.000 1.076 129 A HN 0.524 nan 8.150 nan 0.000 0.490 130 F N -1.331 118.555 119.950 -0.107 0.000 2.789 130 F HA 0.555 5.082 4.527 -0.000 0.000 0.319 130 F C 0.707 176.467 175.800 -0.066 0.000 1.168 130 F CA -0.041 57.920 58.000 -0.065 0.000 0.934 130 F CB 1.312 40.284 39.000 -0.047 0.000 1.375 130 F HN 0.807 nan 8.300 nan 0.000 0.480 131 G N 0.253 109.027 108.800 -0.044 0.000 2.406 131 G HA2 0.436 4.395 3.960 -0.000 0.000 0.251 131 G HA3 0.436 4.395 3.960 -0.000 0.000 0.251 131 G C 0.504 175.401 174.900 -0.006 0.000 1.271 131 G CA 0.213 45.266 45.100 -0.079 0.000 0.859 131 G HN 1.615 nan 8.290 nan 0.000 0.540 132 G N 1.010 109.801 108.800 -0.015 0.000 2.350 132 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.298 132 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.298 132 G C 0.079 175.081 174.900 0.170 0.000 1.037 132 G CA 0.254 45.420 45.100 0.110 0.000 1.074 132 G HN 0.813 nan 8.290 nan 0.000 0.511 133 Q N -0.237 119.650 119.800 0.145 0.000 2.274 133 Q HA 0.581 4.921 4.340 -0.000 0.000 0.268 133 Q C -0.095 175.972 176.000 0.111 0.000 1.015 133 Q CA -0.064 55.824 55.803 0.141 0.000 0.775 133 Q CB 2.284 31.089 28.738 0.112 0.000 1.256 133 Q HN 0.740 nan 8.270 nan 0.000 0.442 134 S N 2.043 117.824 115.700 0.135 0.000 2.811 134 S HA 0.825 5.295 4.470 -0.000 0.000 0.311 134 S C -0.527 174.115 174.600 0.070 0.000 1.152 134 S CA -0.776 57.473 58.200 0.081 0.000 0.864 134 S CB 1.299 64.537 63.200 0.065 0.000 1.226 134 S HN 0.452 nan 8.310 nan 0.000 0.541 135 L N 0.489 121.678 121.223 -0.056 0.000 2.303 135 L HA 0.553 4.893 4.340 -0.000 0.000 0.266 135 L C -0.168 176.215 176.870 -0.811 0.000 1.011 135 L CA -1.007 53.707 54.840 -0.211 0.000 0.818 135 L CB 1.096 43.114 42.059 -0.069 0.000 1.326 135 L HN 0.836 nan 8.230 nan 0.000 0.435 136 Q N 1.671 120.193 119.800 -2.130 0.000 2.452 136 Q HA -0.240 4.100 4.340 -0.000 0.000 0.318 136 Q C -0.746 174.761 176.000 -0.821 0.000 1.386 136 Q CA 0.432 55.228 55.803 -1.677 0.000 0.872 136 Q CB -1.576 26.679 28.738 -0.804 0.000 1.151 136 Q HN 0.603 nan 8.270 nan 0.000 0.417 137 F N -0.928 118.413 119.950 -1.015 0.000 2.829 137 F HA -0.269 4.257 4.527 -0.000 0.000 0.237 137 F C 1.414 176.683 175.800 -0.886 0.000 1.017 137 F CA 1.671 59.089 58.000 -0.971 0.000 0.882 137 F CB -2.071 36.377 39.000 -0.919 0.000 0.795 137 F HN 0.611 nan 8.300 nan 0.000 0.848 138 G N -0.481 108.158 108.800 -0.268 0.000 2.147 138 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.244 138 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.244 138 G C 0.968 175.824 174.900 -0.075 0.000 1.005 138 G CA 0.589 45.680 45.100 -0.015 0.000 0.713 138 G HN 0.583 nan 8.290 nan 0.000 0.515 139 K N -1.295 119.009 120.400 -0.160 0.000 2.504 139 K HA 0.188 4.508 4.320 -0.000 0.000 0.203 139 K C 2.157 178.677 176.600 -0.133 0.000 1.350 139 K CA 0.352 56.563 56.287 -0.127 0.000 0.953 139 K CB 0.381 32.798 32.500 -0.138 0.000 1.243 139 K HN 0.275 nan 8.250 nan 0.000 0.534 140 G N 1.817 110.488 108.800 -0.215 0.000 3.094 140 G HA2 0.297 4.257 3.960 -0.000 0.000 0.208 140 G HA3 0.297 4.257 3.960 -0.000 0.000 0.208 140 G C 0.577 175.423 174.900 -0.089 0.000 1.189 140 G CA 0.512 45.501 45.100 -0.186 0.000 0.856 140 G HN 0.412 nan 8.290 nan 0.000 0.510 141 G N -0.686 108.082 108.800 -0.053 0.000 2.796 141 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.571 141 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.571 141 G C -0.128 174.783 174.900 0.017 0.000 1.370 141 G CA -0.080 45.019 45.100 -0.002 0.000 0.856 141 G HN 0.798 nan 8.290 nan 0.000 0.538 142 Q N -0.070 119.748 119.800 0.030 0.000 2.354 142 Q HA 0.517 4.857 4.340 -0.000 0.000 0.310 142 Q C 0.537 176.533 176.000 -0.006 0.000 1.104 142 Q CA 1.539 57.339 55.803 -0.004 0.000 0.968 142 Q CB 0.485 29.200 28.738 -0.038 0.000 1.251 142 Q HN 2.029 nan 8.270 nan 0.000 0.411 143 A N 3.353 126.122 122.820 -0.084 0.000 2.313 143 A HA 0.673 4.993 4.320 -0.000 0.000 0.323 143 A C -1.407 175.997 177.584 -0.300 0.000 1.133 143 A CA -0.638 51.387 52.037 -0.019 0.000 0.847 143 A CB 0.969 20.004 19.000 0.058 0.000 1.308 143 A HN 0.940 nan 8.150 nan 0.000 0.475 144 H N -0.077 118.989 119.070 -0.007 0.000 2.490 144 H HA 0.364 4.920 4.556 -0.000 0.000 0.230 144 H C 0.034 175.293 175.328 -0.115 0.000 1.417 144 H CA -0.206 55.806 56.048 -0.060 0.000 1.449 144 H CB 0.391 30.107 29.762 -0.078 0.000 1.649 144 H HN 0.621 nan 8.280 nan 0.000 0.519 145 R N -0.773 119.689 120.500 -0.063 0.000 2.659 145 R HA 0.339 4.679 4.340 -0.000 0.000 0.418 145 R C -0.663 175.513 176.300 -0.206 0.000 1.076 145 R CA -0.297 55.717 56.100 -0.144 0.000 1.093 145 R CB -0.343 29.849 30.300 -0.181 0.000 1.400 145 R HN 0.274 nan 8.270 nan 0.000 0.583 146 C N 2.666 121.846 119.300 -0.200 0.000 2.146 146 C HA 0.489 4.949 4.460 -0.000 0.000 0.338 146 C C 0.546 175.417 174.990 -0.198 0.000 1.074 146 C CA -0.729 58.132 59.018 -0.262 0.000 1.527 146 C CB -1.379 26.134 27.740 -0.379 0.000 1.915 146 C HN 0.757 nan 8.230 nan 0.000 0.453 147 C N 4.869 124.066 119.300 -0.171 0.000 2.653 147 C HA 0.548 5.008 4.460 -0.000 0.000 0.421 147 C C 0.978 176.047 174.990 0.132 0.000 1.334 147 C CA -0.346 58.596 59.018 -0.125 0.000 1.885 147 C CB -2.050 25.495 27.740 -0.324 0.000 2.645 147 C HN 1.017 nan 8.230 nan 0.000 0.601 148 C N 0.925 120.416 119.300 0.319 0.000 3.320 148 C HA 0.814 5.274 4.460 -0.000 0.000 0.335 148 C C -0.914 174.337 174.990 0.434 0.000 1.430 148 C CA -0.650 58.603 59.018 0.392 0.000 1.271 148 C CB 0.690 28.567 27.740 0.229 0.000 1.609 148 C HN 0.577 nan 8.230 nan 0.000 0.457 149 V N 2.513 122.547 119.914 0.200 0.000 2.266 149 V HA 0.675 4.795 4.120 -0.000 0.000 0.266 149 V C 1.067 177.221 176.094 0.100 0.000 1.036 149 V CA 1.094 63.453 62.300 0.098 0.000 0.828 149 V CB -0.224 31.573 31.823 -0.044 0.000 1.081 149 V HN 2.287 nan 8.190 nan 0.000 0.449 150 A N 4.479 127.369 122.820 0.118 0.000 5.578 150 A HA -0.277 4.042 4.320 -0.000 0.000 0.312 150 A C 1.036 178.686 177.584 0.110 0.000 1.861 150 A CA 1.692 53.781 52.037 0.086 0.000 0.719 150 A CB -1.207 17.818 19.000 0.042 0.000 1.323 150 A HN 1.104 nan 8.150 nan 0.000 0.387 151 D N -0.325 120.123 120.400 0.081 0.000 2.559 151 D HA 0.320 4.960 4.640 -0.000 0.000 0.234 151 D C 0.607 176.947 176.300 0.066 0.000 1.226 151 D CA 0.164 54.216 54.000 0.088 0.000 0.830 151 D CB -0.183 40.662 40.800 0.075 0.000 1.028 151 D HN 0.575 nan 8.370 nan 0.000 0.492 152 R N -0.170 120.369 120.500 0.065 0.000 2.727 152 R HA 0.218 4.558 4.340 -0.000 0.000 0.410 152 R C 0.509 176.867 176.300 0.098 0.000 1.101 152 R CA -0.123 56.020 56.100 0.071 0.000 1.045 152 R CB 0.365 30.693 30.300 0.046 0.000 1.380 152 R HN -0.016 nan 8.270 nan 0.000 0.587 153 T N -0.218 114.378 114.554 0.071 0.000 2.788 153 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 153 T C 1.987 176.706 174.700 0.030 0.000 1.044 153 T CA 1.773 63.894 62.100 0.035 0.000 1.139 153 T CB -0.008 68.891 68.868 0.051 0.000 0.867 153 T HN 0.555 nan 8.240 nan 0.000 0.454 154 G N 0.754 109.584 108.800 0.051 0.000 2.421 154 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 154 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 154 G C 1.229 176.166 174.900 0.062 0.000 1.171 154 G CA 1.222 46.343 45.100 0.035 0.000 0.775 154 G HN 0.607 nan 8.290 nan 0.000 0.543 155 H N 1.244 120.332 119.070 0.029 0.000 2.265 155 H HA -0.121 4.435 4.556 -0.000 0.000 0.293 155 H C 2.782 178.203 175.328 0.155 0.000 1.089 155 H CA 2.436 58.547 56.048 0.106 0.000 1.244 155 H CB -0.386 29.428 29.762 0.086 0.000 1.355 155 H HN 0.278 nan 8.280 nan 0.000 0.485 156 S N 0.107 115.805 115.700 -0.002 0.000 2.356 156 S HA -0.140 4.330 4.470 -0.000 0.000 0.223 156 S C 2.322 176.878 174.600 -0.073 0.000 1.032 156 S CA 1.082 59.234 58.200 -0.079 0.000 1.005 156 S CB -0.577 62.583 63.200 -0.067 0.000 0.867 156 S HN 0.462 nan 8.310 nan 0.000 0.449 157 L N 0.858 122.043 121.223 -0.064 0.000 2.043 157 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 157 L C 2.237 179.108 176.870 0.001 0.000 1.075 157 L CA 1.355 56.175 54.840 -0.032 0.000 0.752 157 L CB -0.221 41.831 42.059 -0.012 0.000 0.891 157 L HN 0.272 nan 8.230 nan 0.000 0.432 158 L N -1.094 120.104 121.223 -0.042 0.000 2.072 158 L HA -0.190 4.150 4.340 -0.000 0.000 0.205 158 L C 2.539 179.329 176.870 -0.133 0.000 1.079 158 L CA 1.698 56.489 54.840 -0.082 0.000 0.752 158 L CB -0.935 41.034 42.059 -0.151 0.000 0.906 158 L HN 0.314 nan 8.230 nan 0.000 0.436 159 H N -1.069 117.932 119.070 -0.115 0.000 2.387 159 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 159 H C 1.938 177.266 175.328 -0.000 0.000 1.090 159 H CA 1.891 57.879 56.048 -0.099 0.000 1.332 159 H CB -0.149 29.449 29.762 -0.274 0.000 1.386 159 H HN 0.366 nan 8.280 nan 0.000 0.516 160 T N 1.365 115.971 114.554 0.086 0.000 2.701 160 T HA -0.074 4.276 4.350 -0.000 0.000 0.263 160 T C 2.495 177.252 174.700 0.094 0.000 1.040 160 T CA 0.620 62.773 62.100 0.089 0.000 1.147 160 T CB -0.393 68.535 68.868 0.099 0.000 0.865 160 T HN 0.162 nan 8.240 nan 0.000 0.426 161 L N -0.195 121.114 121.223 0.142 0.000 2.013 161 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 161 L C 2.423 179.356 176.870 0.106 0.000 1.073 161 L CA 1.825 56.784 54.840 0.199 0.000 0.753 161 L CB -0.583 41.630 42.059 0.256 0.000 0.890 161 L HN 0.303 nan 8.230 nan 0.000 0.432 162 Y N 0.656 120.940 120.300 -0.026 0.000 2.207 162 Y HA -0.206 4.344 4.550 -0.000 0.000 0.287 162 Y C 2.280 178.113 175.900 -0.111 0.000 1.156 162 Y CA 1.588 59.638 58.100 -0.083 0.000 1.182 162 Y CB -0.568 37.799 38.460 -0.155 0.000 0.979 162 Y HN 0.091 nan 8.280 nan 0.000 0.521 163 G N -0.235 108.563 108.800 -0.002 0.000 2.422 163 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 163 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 163 G C 1.697 176.431 174.900 -0.277 0.000 1.146 163 G CA 0.943 45.982 45.100 -0.100 0.000 0.769 163 G HN 0.314 nan 8.290 nan 0.000 0.547 164 R N 1.496 121.789 120.500 -0.344 0.000 2.075 164 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 164 R C 2.906 178.808 176.300 -0.663 0.000 1.126 164 R CA 1.876 57.616 56.100 -0.599 0.000 0.963 164 R CB -0.670 29.081 30.300 -0.915 0.000 0.858 164 R HN 0.399 nan 8.270 nan 0.000 0.435 165 S N -0.023 115.303 115.700 -0.623 0.000 2.442 165 S HA -0.091 4.379 4.470 -0.000 0.000 0.236 165 S C 1.816 176.275 174.600 -0.235 0.000 1.007 165 S CA 0.999 58.994 58.200 -0.342 0.000 0.965 165 S CB -0.481 62.689 63.200 -0.050 0.000 0.773 165 S HN 0.384 nan 8.310 nan 0.000 0.504 166 L N 0.556 121.526 121.223 -0.422 0.000 2.633 166 L HA 0.086 4.426 4.340 -0.000 0.000 0.235 166 L C 2.427 179.123 176.870 -0.290 0.000 1.163 166 L CA 0.588 55.206 54.840 -0.370 0.000 0.859 166 L CB -0.421 41.414 42.059 -0.373 0.000 0.973 166 L HN 0.341 nan 8.230 nan 0.000 0.451 167 R N -1.500 118.768 120.500 -0.387 0.000 2.312 167 R HA 0.131 4.471 4.340 -0.000 0.000 0.205 167 R C -0.460 175.454 176.300 -0.642 0.000 0.904 167 R CA 0.130 55.884 56.100 -0.577 0.000 1.052 167 R CB 0.273 30.070 30.300 -0.838 0.000 1.014 167 R HN 0.179 nan 8.270 nan 0.000 0.503 168 Y N -0.015 120.220 120.300 -0.108 0.000 2.630 168 Y HA 0.120 4.670 4.550 -0.000 0.000 0.337 168 Y C 0.897 176.811 175.900 0.023 0.000 1.051 168 Y CA -1.966 56.122 58.100 -0.021 0.000 1.121 168 Y CB 0.604 39.081 38.460 0.028 0.000 1.299 168 Y HN -0.053 nan 8.280 nan 0.000 0.498 169 D N -0.678 119.852 120.400 0.217 0.000 2.395 169 D HA -0.028 4.612 4.640 -0.000 0.000 0.250 169 D C -0.474 175.939 176.300 0.189 0.000 1.203 169 D CA 0.060 54.156 54.000 0.160 0.000 0.872 169 D CB -0.808 40.069 40.800 0.128 0.000 0.941 169 D HN 0.408 nan 8.370 nan 0.000 0.504 170 T N 0.781 115.474 114.554 0.233 0.000 2.829 170 T HA 0.087 4.437 4.350 -0.000 0.000 0.293 170 T C 0.250 175.078 174.700 0.214 0.000 0.970 170 T CA -0.005 62.203 62.100 0.179 0.000 1.168 170 T CB 0.854 69.831 68.868 0.182 0.000 0.911 170 T HN 0.006 nan 8.240 nan 0.000 0.535 171 S N 3.168 118.931 115.700 0.105 0.000 2.439 171 S HA 0.350 4.820 4.470 -0.000 0.000 0.282 171 S C -0.578 173.932 174.600 -0.151 0.000 1.170 171 S CA -0.585 57.653 58.200 0.062 0.000 1.054 171 S CB -0.033 63.294 63.200 0.211 0.000 0.956 171 S HN 0.466 nan 8.310 nan 0.000 0.490 172 Y N 1.821 121.936 120.300 -0.309 0.000 2.387 172 Y HA 0.530 5.080 4.550 -0.000 0.000 0.330 172 Y C -0.289 175.273 175.900 -0.562 0.000 1.133 172 Y CA -1.264 56.671 58.100 -0.274 0.000 1.152 172 Y CB 0.772 39.162 38.460 -0.117 0.000 1.215 172 Y HN 0.523 nan 8.280 nan 0.000 0.466 173 F N 1.588 121.457 119.950 -0.135 0.000 2.676 173 F HA 0.428 4.955 4.527 -0.000 0.000 0.371 173 F C -0.653 175.147 175.800 -0.000 0.000 1.141 173 F CA -1.047 56.749 58.000 -0.340 0.000 1.133 173 F CB 0.670 39.007 39.000 -1.105 0.000 1.376 173 F HN 0.060 nan 8.300 nan 0.000 0.491 174 V N 2.177 122.331 119.914 0.400 0.000 2.649 174 V HA 0.210 4.330 4.120 -0.000 0.000 0.292 174 V C 0.582 176.986 176.094 0.516 0.000 1.055 174 V CA -0.718 61.841 62.300 0.432 0.000 1.023 174 V CB 1.026 33.091 31.823 0.403 0.000 0.992 174 V HN 0.823 nan 8.190 nan 0.000 0.480 175 E N 1.073 121.496 120.200 0.371 0.000 2.513 175 E HA -0.234 4.116 4.350 -0.000 0.000 0.257 175 E C -1.122 175.564 176.600 0.143 0.000 1.098 175 E CA 0.462 57.003 56.400 0.236 0.000 0.752 175 E CB -1.126 28.718 29.700 0.240 0.000 1.324 175 E HN 0.651 nan 8.360 nan 0.000 0.403 176 Y N -0.198 120.178 120.300 0.127 0.000 2.330 176 Y HA 0.462 5.012 4.550 -0.000 0.000 0.336 176 Y C 0.104 176.084 175.900 0.133 0.000 1.036 176 Y CA -0.858 57.327 58.100 0.142 0.000 1.125 176 Y CB 0.875 39.416 38.460 0.135 0.000 1.194 176 Y HN 0.095 nan 8.280 nan 0.000 0.469 177 F N 2.943 122.956 119.950 0.104 0.000 2.415 177 F HA 0.694 5.221 4.527 -0.000 0.000 0.348 177 F C 0.019 175.870 175.800 0.085 0.000 1.119 177 F CA -0.997 57.033 58.000 0.051 0.000 1.069 177 F CB 0.641 39.630 39.000 -0.017 0.000 1.124 177 F HN 0.554 nan 8.300 nan 0.000 0.472 178 A N 7.086 129.688 122.820 -0.363 0.000 2.320 178 A HA 0.469 4.789 4.320 -0.000 0.000 0.287 178 A C 0.234 177.721 177.584 -0.160 0.000 1.181 178 A CA -0.405 51.519 52.037 -0.189 0.000 0.831 178 A CB 0.360 19.218 19.000 -0.236 0.000 1.102 178 A HN 1.022 nan 8.150 nan 0.000 0.513 179 L N 1.196 122.439 121.223 0.034 0.000 2.185 179 L HA 0.247 4.587 4.340 -0.000 0.000 0.198 179 L C 0.342 177.229 176.870 0.029 0.000 1.079 179 L CA 0.639 55.528 54.840 0.081 0.000 0.780 179 L CB -0.026 42.095 42.059 0.103 0.000 0.955 179 L HN 0.624 nan 8.230 nan 0.000 0.462 180 D N -1.680 118.733 120.400 0.021 0.000 2.692 180 D HA 0.431 5.071 4.640 -0.000 0.000 0.303 180 D C -1.131 175.173 176.300 0.008 0.000 1.278 180 D CA -0.530 53.475 54.000 0.007 0.000 0.852 180 D CB 2.296 43.105 40.800 0.015 0.000 1.375 180 D HN -0.157 nan 8.370 nan 0.000 0.453 181 L N 0.570 121.793 121.223 -0.000 0.000 2.379 181 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 181 L C 0.227 177.107 176.870 0.016 0.000 1.084 181 L CA -0.735 54.107 54.840 0.003 0.000 0.802 181 L CB 0.741 42.793 42.059 -0.011 0.000 1.175 181 L HN 0.129 nan 8.230 nan 0.000 0.448 182 L N 3.696 124.935 121.223 0.026 0.000 2.358 182 L HA 0.261 4.601 4.340 -0.000 0.000 0.274 182 L C -0.304 176.577 176.870 0.019 0.000 1.136 182 L CA -0.186 54.671 54.840 0.028 0.000 0.970 182 L CB 0.304 42.390 42.059 0.045 0.000 1.314 182 L HN 0.493 nan 8.230 nan 0.000 0.427 183 M N 3.085 122.691 119.600 0.011 0.000 2.188 183 M HA 0.315 4.795 4.480 -0.000 0.000 0.357 183 M C -0.178 176.126 176.300 0.006 0.000 1.204 183 M CA 0.061 55.365 55.300 0.006 0.000 1.095 183 M CB 1.108 33.709 32.600 0.001 0.000 1.604 183 M HN 0.386 nan 8.290 nan 0.000 0.464 184 E N 3.110 123.313 120.200 0.005 0.000 2.287 184 E HA 0.251 4.601 4.350 -0.000 0.000 0.274 184 E C -0.860 175.741 176.600 0.001 0.000 0.896 184 E CA -0.384 56.019 56.400 0.004 0.000 0.788 184 E CB 0.784 30.489 29.700 0.008 0.000 1.244 184 E HN 0.683 nan 8.360 nan 0.000 0.408 185 N N 3.508 122.207 118.700 -0.001 0.000 2.686 185 N HA -0.240 4.500 4.740 -0.000 0.000 0.261 185 N C 0.673 176.179 175.510 -0.006 0.000 1.001 185 N CA 1.597 54.645 53.050 -0.003 0.000 0.764 185 N CB -1.079 37.407 38.487 -0.003 0.000 0.898 185 N HN 1.049 nan 8.380 nan 0.000 0.544 186 G N -0.863 107.933 108.800 -0.007 0.000 2.196 186 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.268 186 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.268 186 G C 0.031 174.922 174.900 -0.016 0.000 0.975 186 G CA 1.211 46.305 45.100 -0.011 0.000 0.648 186 G HN 0.639 nan 8.290 nan 0.000 0.538 187 E N -0.991 119.202 120.200 -0.010 0.000 2.222 187 E HA 0.544 4.894 4.350 -0.000 0.000 0.267 187 E C -0.350 176.247 176.600 -0.004 0.000 0.963 187 E CA -0.678 55.716 56.400 -0.010 0.000 0.837 187 E CB 2.009 31.707 29.700 -0.002 0.000 1.183 187 E HN 0.219 nan 8.360 nan 0.000 0.403 188 C N 2.016 121.314 119.300 -0.003 0.000 2.273 188 C HA 0.314 4.774 4.460 -0.000 0.000 0.328 188 C C 1.028 176.032 174.990 0.023 0.000 1.275 188 C CA -0.466 58.556 59.018 0.006 0.000 1.704 188 C CB -0.563 27.176 27.740 -0.002 0.000 2.326 188 C HN 0.676 nan 8.230 nan 0.000 0.517 189 R N 3.603 124.120 120.500 0.029 0.000 2.334 189 R HA 0.336 4.676 4.340 -0.000 0.000 0.216 189 R C 1.033 177.371 176.300 0.064 0.000 0.905 189 R CA 0.783 56.910 56.100 0.044 0.000 1.064 189 R CB 0.040 30.363 30.300 0.038 0.000 1.046 189 R HN 1.083 nan 8.270 nan 0.000 0.508 190 G N 0.089 108.924 108.800 0.058 0.000 2.292 190 G HA2 0.029 3.989 3.960 -0.000 0.000 0.194 190 G HA3 0.029 3.989 3.960 -0.000 0.000 0.194 190 G C -1.339 173.602 174.900 0.068 0.000 1.329 190 G CA -0.268 44.881 45.100 0.081 0.000 1.100 190 G HN 0.247 nan 8.290 nan 0.000 0.470 191 V N -2.013 117.976 119.914 0.125 0.000 3.147 191 V HA 0.864 4.984 4.120 -0.000 0.000 0.299 191 V C -0.775 175.455 176.094 0.226 0.000 1.302 191 V CA -0.615 61.752 62.300 0.111 0.000 1.015 191 V CB 1.653 33.487 31.823 0.019 0.000 1.086 191 V HN 1.761 nan 8.190 nan 0.000 0.437 192 I N 2.420 123.086 120.570 0.160 0.000 2.562 192 I HA 0.994 5.164 4.170 -0.000 0.000 0.301 192 I C 0.024 176.267 176.117 0.209 0.000 1.003 192 I CA -0.135 61.274 61.300 0.182 0.000 1.127 192 I CB 1.697 39.751 38.000 0.090 0.000 1.304 192 I HN 1.419 nan 8.210 nan 0.000 0.446 193 A N 5.928 128.921 122.820 0.289 0.000 2.599 193 A HA 0.664 4.984 4.320 -0.000 0.000 0.290 193 A C -2.106 175.683 177.584 0.342 0.000 1.101 193 A CA -0.613 51.616 52.037 0.319 0.000 0.674 193 A CB 1.363 20.599 19.000 0.393 0.000 1.277 193 A HN 0.749 nan 8.150 nan 0.000 0.419 194 L N 0.594 122.004 121.223 0.312 0.000 2.296 194 L HA 0.674 5.014 4.340 -0.000 0.000 0.286 194 L C -0.267 176.697 176.870 0.157 0.000 1.023 194 L CA -0.406 54.566 54.840 0.220 0.000 0.812 194 L CB 1.092 43.223 42.059 0.120 0.000 1.223 194 L HN 0.867 nan 8.230 nan 0.000 0.421 195 C N 6.705 126.070 119.300 0.108 0.000 2.416 195 C HA 0.316 4.776 4.460 -0.000 0.000 0.355 195 C C 1.790 176.642 174.990 -0.231 0.000 1.211 195 C CA -0.522 58.265 59.018 -0.384 0.000 1.699 195 C CB -1.560 26.105 27.740 -0.125 0.000 2.310 195 C HN 0.964 nan 8.230 nan 0.000 0.539 196 I N 3.342 123.725 120.570 -0.312 0.000 2.614 196 I HA -0.110 4.060 4.170 -0.000 0.000 0.258 196 I C 2.496 178.489 176.117 -0.207 0.000 1.189 196 I CA 1.155 62.261 61.300 -0.322 0.000 1.462 196 I CB -0.338 37.316 38.000 -0.575 0.000 1.092 196 I HN 0.806 nan 8.210 nan 0.000 0.442 197 E N 1.513 121.688 120.200 -0.042 0.000 2.072 197 E HA -0.238 4.112 4.350 -0.000 0.000 0.190 197 E C 0.830 177.538 176.600 0.179 0.000 0.982 197 E CA 1.599 58.134 56.400 0.224 0.000 0.803 197 E CB 0.189 30.023 29.700 0.223 0.000 0.755 197 E HN 0.567 nan 8.360 nan 0.000 0.453 198 D N -1.771 118.694 120.400 0.108 0.000 2.535 198 D HA 0.123 4.763 4.640 -0.000 0.000 0.229 198 D C 0.747 177.105 176.300 0.097 0.000 1.238 198 D CA 0.327 54.397 54.000 0.115 0.000 0.824 198 D CB 0.256 41.136 40.800 0.133 0.000 1.045 198 D HN 0.236 nan 8.370 nan 0.000 0.500 199 G N 0.979 109.822 108.800 0.072 0.000 2.341 199 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.292 199 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.292 199 G C 0.413 175.382 174.900 0.114 0.000 1.021 199 G CA 0.958 46.105 45.100 0.078 0.000 0.905 199 G HN 0.787 nan 8.290 nan 0.000 0.508 200 T N -2.314 112.310 114.554 0.116 0.000 2.948 200 T HA 0.795 5.145 4.350 -0.000 0.000 0.285 200 T C 0.241 174.913 174.700 -0.048 0.000 1.019 200 T CA -1.234 60.900 62.100 0.057 0.000 1.013 200 T CB 2.374 71.260 68.868 0.030 0.000 1.117 200 T HN 0.214 nan 8.240 nan 0.000 0.533 201 I N 1.633 122.077 120.570 -0.210 0.000 2.498 201 I HA 0.411 4.581 4.170 -0.000 0.000 0.301 201 I C 0.074 175.856 176.117 -0.558 0.000 0.984 201 I CA -0.618 60.557 61.300 -0.208 0.000 1.204 201 I CB 1.138 39.083 38.000 -0.093 0.000 1.362 201 I HN 0.732 nan 8.210 nan 0.000 0.471 202 H N 5.340 124.459 119.070 0.082 0.000 2.856 202 H HA 0.478 5.034 4.556 -0.000 0.000 0.355 202 H C -0.746 174.484 175.328 -0.163 0.000 1.079 202 H CA -0.738 55.270 56.048 -0.065 0.000 1.240 202 H CB 2.275 32.033 29.762 -0.007 0.000 1.701 202 H HN 0.419 nan 8.280 nan 0.000 0.527 203 R N 2.449 122.826 120.500 -0.206 0.000 2.480 203 R HA 0.348 4.688 4.340 -0.000 0.000 0.306 203 R C -1.059 175.103 176.300 -0.231 0.000 0.958 203 R CA -0.746 55.290 56.100 -0.107 0.000 0.861 203 R CB 1.436 31.708 30.300 -0.047 0.000 1.171 203 R HN 0.264 nan 8.270 nan 0.000 0.445 204 F N 2.562 122.570 119.950 0.098 0.000 2.293 204 F HA 0.395 4.921 4.527 -0.000 0.000 0.370 204 F C 0.660 176.524 175.800 0.106 0.000 1.090 204 F CA -0.869 57.202 58.000 0.118 0.000 1.133 204 F CB 0.896 39.873 39.000 -0.038 0.000 1.360 204 F HN 0.177 nan 8.300 nan 0.000 0.489 205 R N 2.577 123.221 120.500 0.239 0.000 2.351 205 R HA 0.641 4.981 4.340 -0.000 0.000 0.318 205 R C -0.205 176.220 176.300 0.209 0.000 1.055 205 R CA -0.155 56.046 56.100 0.168 0.000 0.968 205 R CB 0.449 30.811 30.300 0.103 0.000 0.974 205 R HN 0.697 nan 8.270 nan 0.000 0.439 206 A N 2.313 125.233 122.820 0.165 0.000 2.556 206 A HA 0.296 4.616 4.320 -0.000 0.000 0.294 206 A C 0.018 177.668 177.584 0.110 0.000 1.091 206 A CA -0.840 51.294 52.037 0.161 0.000 0.704 206 A CB 1.646 20.740 19.000 0.157 0.000 1.300 206 A HN 0.711 nan 8.150 nan 0.000 0.406 207 K N 0.057 120.523 120.400 0.111 0.000 2.365 207 K HA 0.101 4.421 4.320 -0.000 0.000 0.197 207 K C -0.157 176.491 176.600 0.081 0.000 1.042 207 K CA 0.857 57.201 56.287 0.094 0.000 0.987 207 K CB 0.041 32.608 32.500 0.113 0.000 0.779 207 K HN 0.640 nan 8.250 nan 0.000 0.484 208 N N -0.331 118.406 118.700 0.061 0.000 2.371 208 N HA 0.148 4.888 4.740 -0.000 0.000 0.280 208 N C -1.693 173.822 175.510 0.009 0.000 1.084 208 N CA -0.417 52.661 53.050 0.048 0.000 0.892 208 N CB 2.452 40.921 38.487 -0.030 0.000 1.653 208 N HN -0.185 nan 8.380 nan 0.000 0.480 209 T N 0.841 115.423 114.554 0.045 0.000 2.841 209 T HA 0.515 4.865 4.350 -0.000 0.000 0.283 209 T C -0.403 174.312 174.700 0.025 0.000 1.000 209 T CA -0.405 61.690 62.100 -0.008 0.000 0.977 209 T CB 1.815 70.675 68.868 -0.013 0.000 0.979 209 T HN 0.087 nan 8.240 nan 0.000 0.446 210 V N 4.449 124.329 119.914 -0.057 0.000 2.540 210 V HA 0.578 4.698 4.120 -0.000 0.000 0.302 210 V C -0.495 175.554 176.094 -0.075 0.000 1.035 210 V CA -0.813 61.463 62.300 -0.040 0.000 0.873 210 V CB 1.726 33.475 31.823 -0.123 0.000 0.992 210 V HN 0.787 nan 8.190 nan 0.000 0.428 211 I N 3.615 124.156 120.570 -0.048 0.000 2.406 211 I HA 0.762 4.932 4.170 -0.000 0.000 0.290 211 I C 0.113 176.197 176.117 -0.054 0.000 0.999 211 I CA -0.487 60.772 61.300 -0.069 0.000 1.124 211 I CB 1.958 39.919 38.000 -0.065 0.000 1.289 211 I HN 0.716 nan 8.210 nan 0.000 0.441 212 A N 3.225 126.008 122.820 -0.062 0.000 3.300 212 A HA 0.364 4.684 4.320 -0.000 0.000 0.300 212 A C 0.337 177.897 177.584 -0.039 0.000 1.099 212 A CA -0.344 51.670 52.037 -0.038 0.000 0.846 212 A CB -0.039 18.940 19.000 -0.034 0.000 1.255 212 A HN 0.738 nan 8.150 nan 0.000 0.519 213 T N -2.021 112.509 114.554 -0.040 0.000 3.105 213 T HA 0.508 4.857 4.350 -0.000 0.000 0.253 213 T C 1.070 175.761 174.700 -0.016 0.000 1.047 213 T CA 0.844 62.919 62.100 -0.041 0.000 0.944 213 T CB -0.170 68.656 68.868 -0.069 0.000 1.016 213 T HN 2.309 nan 8.240 nan 0.000 0.544 214 G N -0.168 108.630 108.800 -0.004 0.000 2.698 214 G HA2 0.276 4.236 3.960 -0.000 0.000 0.225 214 G HA3 0.276 4.236 3.960 -0.000 0.000 0.225 214 G C 0.085 174.963 174.900 -0.037 0.000 1.345 214 G CA -0.516 44.580 45.100 -0.006 0.000 0.871 214 G HN 0.853 nan 8.290 nan 0.000 0.540 215 G N -1.847 106.889 108.800 -0.106 0.000 2.773 215 G HA2 0.756 4.716 3.960 -0.000 0.000 0.186 215 G HA3 0.756 4.716 3.960 -0.000 0.000 0.186 215 G C -0.051 174.788 174.900 -0.102 0.000 1.411 215 G CA 0.512 45.480 45.100 -0.219 0.000 1.054 215 G HN 2.055 nan 8.290 nan 0.000 0.579 216 Y N -2.437 117.795 120.300 -0.114 0.000 2.810 216 Y HA 0.500 5.050 4.550 -0.000 0.000 0.272 216 Y C 1.213 177.088 175.900 -0.042 0.000 0.938 216 Y CA -0.754 57.308 58.100 -0.063 0.000 1.129 216 Y CB 0.042 38.487 38.460 -0.024 0.000 1.192 216 Y HN 0.511 nan 8.280 nan 0.000 0.630 217 G N 1.058 109.766 108.800 -0.153 0.000 2.498 217 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.219 217 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.219 217 G C 1.447 176.388 174.900 0.069 0.000 1.119 217 G CA 0.131 45.165 45.100 -0.110 0.000 0.766 217 G HN 0.248 nan 8.290 nan 0.000 0.552 218 R N 0.824 121.369 120.500 0.074 0.000 2.346 218 R HA 0.021 4.361 4.340 -0.000 0.000 0.208 218 R C 1.876 178.280 176.300 0.172 0.000 1.052 218 R CA 0.959 57.121 56.100 0.104 0.000 1.116 218 R CB -0.757 29.586 30.300 0.073 0.000 1.003 218 R HN 0.512 nan 8.270 nan 0.000 0.482 219 T N -3.367 111.341 114.554 0.257 0.000 3.057 219 T HA 0.106 4.456 4.350 -0.000 0.000 0.254 219 T C 0.626 175.388 174.700 0.104 0.000 1.094 219 T CA 0.333 62.542 62.100 0.182 0.000 1.088 219 T CB -0.000 69.005 68.868 0.228 0.000 0.934 219 T HN -0.021 nan 8.240 nan 0.000 0.497 220 Y N -0.453 119.911 120.300 0.107 0.000 2.545 220 Y HA 0.528 5.078 4.550 -0.000 0.000 0.324 220 Y C 0.843 176.854 175.900 0.184 0.000 1.220 220 Y CA -2.179 56.000 58.100 0.132 0.000 1.290 220 Y CB 0.602 39.108 38.460 0.077 0.000 1.355 220 Y HN -0.057 nan 8.280 nan 0.000 0.516 221 F N 0.041 120.120 119.950 0.214 0.000 2.473 221 F HA 0.135 4.662 4.527 -0.000 0.000 0.294 221 F C 0.843 176.705 175.800 0.102 0.000 1.103 221 F CA 0.586 58.663 58.000 0.128 0.000 1.442 221 F CB 0.174 39.239 39.000 0.107 0.000 1.097 221 F HN 0.229 nan 8.300 nan 0.000 0.547 222 S N 1.468 117.203 115.700 0.058 0.000 2.733 222 S HA 0.592 5.062 4.470 -0.000 0.000 0.307 222 S C -0.655 173.913 174.600 -0.054 0.000 1.127 222 S CA -0.478 57.660 58.200 -0.104 0.000 1.097 222 S CB -0.260 62.913 63.200 -0.045 0.000 1.003 222 S HN 0.409 nan 8.310 nan 0.000 0.477 223 C N 2.417 121.651 119.300 -0.109 0.000 3.080 223 C HA 0.818 5.278 4.460 -0.000 0.000 0.307 223 C C 1.642 176.560 174.990 -0.121 0.000 1.311 223 C CA 0.080 59.026 59.018 -0.122 0.000 1.533 223 C CB 0.719 28.381 27.740 -0.129 0.000 1.970 223 C HN 0.810 nan 8.230 nan 0.000 0.467 224 T N -1.016 113.495 114.554 -0.073 0.000 3.051 224 T HA 0.137 4.487 4.350 -0.000 0.000 0.255 224 T C 0.768 175.444 174.700 -0.039 0.000 1.085 224 T CA 0.742 62.833 62.100 -0.015 0.000 1.109 224 T CB -0.498 68.472 68.868 0.171 0.000 0.921 224 T HN 0.822 nan 8.240 nan 0.000 0.488 225 S N 1.961 117.539 115.700 -0.203 0.000 2.572 225 S HA 0.531 5.001 4.470 -0.000 0.000 0.267 225 S C 0.683 175.062 174.600 -0.369 0.000 1.361 225 S CA -0.348 57.534 58.200 -0.529 0.000 1.009 225 S CB 0.199 63.103 63.200 -0.494 0.000 0.888 225 S HN 0.822 nan 8.310 nan 0.000 0.553 226 A N 0.677 123.247 122.820 -0.417 0.000 2.287 226 A HA 0.347 4.667 4.320 -0.000 0.000 0.273 226 A C 0.974 178.476 177.584 -0.137 0.000 1.091 226 A CA -0.466 51.491 52.037 -0.134 0.000 0.817 226 A CB -0.111 18.936 19.000 0.079 0.000 1.069 226 A HN 0.969 nan 8.150 nan 0.000 0.492 227 H N 0.458 119.537 119.070 0.015 0.000 2.543 227 H HA -0.090 4.466 4.556 -0.000 0.000 0.286 227 H C 1.676 177.030 175.328 0.043 0.000 1.037 227 H CA 1.923 57.989 56.048 0.031 0.000 1.250 227 H CB -0.211 29.581 29.762 0.050 0.000 1.373 227 H HN 0.788 nan 8.280 nan 0.000 0.580 228 T N -2.662 111.974 114.554 0.136 0.000 3.086 228 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 228 T C 0.920 175.659 174.700 0.064 0.000 1.074 228 T CA -0.296 61.874 62.100 0.117 0.000 0.988 228 T CB 0.054 69.000 68.868 0.129 0.000 0.988 228 T HN -0.066 nan 8.240 nan 0.000 0.530 229 S N 3.216 118.915 115.700 -0.001 0.000 3.483 229 S HA 0.277 4.747 4.470 -0.000 0.000 0.274 229 S C 0.917 175.540 174.600 0.038 0.000 1.289 229 S CA -0.555 57.622 58.200 -0.037 0.000 0.938 229 S CB -0.159 62.929 63.200 -0.187 0.000 1.453 229 S HN 0.696 nan 8.310 nan 0.000 0.494 230 T N -1.574 113.029 114.554 0.082 0.000 3.248 230 T HA 0.382 4.732 4.350 -0.000 0.000 0.271 230 T C 1.261 176.032 174.700 0.118 0.000 1.005 230 T CA -0.097 62.073 62.100 0.117 0.000 0.902 230 T CB 0.144 69.091 68.868 0.131 0.000 1.102 230 T HN 0.591 nan 8.240 nan 0.000 0.548 231 G N 2.421 111.307 108.800 0.144 0.000 2.402 231 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.300 231 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.300 231 G C 0.622 175.547 174.900 0.042 0.000 0.987 231 G CA 0.556 45.742 45.100 0.145 0.000 0.881 231 G HN 0.553 nan 8.290 nan 0.000 0.512 232 D N 0.150 120.559 120.400 0.015 0.000 2.133 232 D HA -0.128 4.511 4.640 -0.000 0.000 0.195 232 D C 2.419 178.673 176.300 -0.076 0.000 0.997 232 D CA 1.718 55.693 54.000 -0.043 0.000 0.840 232 D CB -0.711 39.996 40.800 -0.155 0.000 0.947 232 D HN 0.548 nan 8.370 nan 0.000 0.452 233 G N -0.093 108.665 108.800 -0.071 0.000 2.421 233 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 233 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 233 G C 1.732 176.601 174.900 -0.051 0.000 1.143 233 G CA 1.156 46.212 45.100 -0.073 0.000 0.784 233 G HN 0.220 nan 8.290 nan 0.000 0.541 234 T N 1.600 116.137 114.554 -0.027 0.000 2.708 234 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 234 T C 2.825 177.489 174.700 -0.059 0.000 1.037 234 T CA 1.528 63.608 62.100 -0.033 0.000 1.146 234 T CB -0.333 68.531 68.868 -0.006 0.000 0.865 234 T HN 0.351 nan 8.240 nan 0.000 0.435 235 A N 1.140 123.927 122.820 -0.054 0.000 1.933 235 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 235 A C 2.337 179.900 177.584 -0.034 0.000 1.175 235 A CA 1.346 53.356 52.037 -0.044 0.000 0.628 235 A CB -0.650 18.340 19.000 -0.018 0.000 0.814 235 A HN 0.441 nan 8.150 nan 0.000 0.444 236 M N -0.693 118.883 119.600 -0.039 0.000 2.108 236 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 236 M C 2.132 178.409 176.300 -0.039 0.000 1.066 236 M CA 1.538 56.816 55.300 -0.036 0.000 1.107 236 M CB -0.454 32.115 32.600 -0.052 0.000 1.356 236 M HN 0.302 nan 8.290 nan 0.000 0.406 237 V N -0.130 119.752 119.914 -0.052 0.000 2.261 237 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 237 V C 2.288 178.347 176.094 -0.059 0.000 1.047 237 V CA 2.306 64.570 62.300 -0.060 0.000 1.015 237 V CB -1.188 30.588 31.823 -0.079 0.000 0.642 237 V HN 0.500 nan 8.190 nan 0.000 0.446 238 T N -0.156 114.358 114.554 -0.066 0.000 2.624 238 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 238 T C 1.968 176.652 174.700 -0.026 0.000 1.041 238 T CA 1.788 63.851 62.100 -0.062 0.000 1.159 238 T CB -0.351 68.476 68.868 -0.068 0.000 0.863 238 T HN 0.390 nan 8.240 nan 0.000 0.434 239 R N 0.675 121.165 120.500 -0.017 0.000 2.293 239 R HA 0.099 4.439 4.340 -0.000 0.000 0.219 239 R C 2.354 178.655 176.300 0.001 0.000 1.091 239 R CA 0.765 56.865 56.100 0.000 0.000 1.004 239 R CB -0.212 30.092 30.300 0.007 0.000 0.865 239 R HN 0.357 nan 8.270 nan 0.000 0.469 240 A N -0.217 122.599 122.820 -0.007 0.000 2.178 240 A HA 0.204 4.524 4.320 -0.000 0.000 0.211 240 A C 1.399 178.990 177.584 0.011 0.000 1.157 240 A CA 0.832 52.867 52.037 -0.003 0.000 0.780 240 A CB 0.230 19.221 19.000 -0.016 0.000 0.828 240 A HN 0.387 nan 8.150 nan 0.000 0.476 241 G N -1.356 107.458 108.800 0.024 0.000 2.131 241 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.223 241 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.223 241 G C -0.072 174.894 174.900 0.110 0.000 0.990 241 G CA 0.169 45.313 45.100 0.075 0.000 0.671 241 G HN 0.398 nan 8.290 nan 0.000 0.521 242 L N 1.589 122.818 121.223 0.008 0.000 2.334 242 L HA 0.600 4.940 4.340 -0.000 0.000 0.275 242 L C -1.685 175.010 176.870 -0.290 0.000 1.036 242 L CA -2.382 52.413 54.840 -0.073 0.000 0.807 242 L CB 1.855 43.866 42.059 -0.079 0.000 1.231 242 L HN -0.032 nan 8.230 nan 0.000 0.438 243 P HA 0.208 nan 4.420 nan 0.000 0.288 243 P C -1.107 175.954 177.300 -0.398 0.000 1.267 243 P CA -0.521 62.091 63.100 -0.813 0.000 0.815 243 P CB 1.494 32.485 31.700 -1.182 0.000 0.989 244 C N 2.237 121.343 119.300 -0.323 0.000 2.351 244 C HA 0.533 4.993 4.460 -0.000 0.000 0.359 244 C C 0.437 175.335 174.990 -0.152 0.000 1.193 244 C CA 0.000 58.908 59.018 -0.183 0.000 2.270 244 C CB 0.977 28.640 27.740 -0.129 0.000 2.369 244 C HN 0.605 nan 8.230 nan 0.000 0.553 245 Q N 0.732 120.477 119.800 -0.091 0.000 2.377 245 Q HA 0.252 4.592 4.340 -0.000 0.000 0.271 245 Q C -0.530 175.498 176.000 0.046 0.000 1.077 245 Q CA -0.348 55.426 55.803 -0.048 0.000 0.820 245 Q CB 1.072 29.745 28.738 -0.108 0.000 1.347 245 Q HN 0.798 nan 8.270 nan 0.000 0.444 246 D N 2.549 123.036 120.400 0.145 0.000 2.845 246 D HA -0.228 4.412 4.640 -0.000 0.000 0.229 246 D C 0.786 177.283 176.300 0.327 0.000 1.170 246 D CA 0.881 55.086 54.000 0.342 0.000 0.717 246 D CB -0.821 40.186 40.800 0.344 0.000 1.073 246 D HN 0.652 nan 8.370 nan 0.000 0.424 247 L N 0.270 121.601 121.223 0.181 0.000 2.551 247 L HA -0.172 4.167 4.340 -0.000 0.000 0.230 247 L C 2.481 179.454 176.870 0.172 0.000 1.163 247 L CA 1.292 56.248 54.840 0.193 0.000 0.826 247 L CB -0.448 41.697 42.059 0.144 0.000 0.943 247 L HN 0.242 nan 8.230 nan 0.000 0.452 248 E N 0.210 120.450 120.200 0.067 0.000 2.435 248 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 248 E C 0.233 176.724 176.600 -0.182 0.000 1.029 248 E CA 0.117 56.458 56.400 -0.099 0.000 0.865 248 E CB -0.101 29.396 29.700 -0.338 0.000 0.833 248 E HN 0.329 nan 8.360 nan 0.000 0.510 249 F N 2.072 122.066 119.950 0.074 0.000 2.462 249 F HA 0.220 4.747 4.527 -0.000 0.000 0.354 249 F C -0.094 175.731 175.800 0.042 0.000 1.192 249 F CA -0.568 57.484 58.000 0.085 0.000 1.173 249 F CB 0.999 40.047 39.000 0.079 0.000 1.402 249 F HN -0.279 nan 8.300 nan 0.000 0.595 250 V N 3.533 123.535 119.914 0.147 0.000 2.398 250 V HA 0.245 4.365 4.120 -0.000 0.000 0.286 250 V C -0.067 176.014 176.094 -0.023 0.000 1.026 250 V CA -0.862 61.416 62.300 -0.036 0.000 0.868 250 V CB 1.557 33.285 31.823 -0.158 0.000 0.982 250 V HN 0.599 nan 8.190 nan 0.000 0.443 251 Q N 3.812 123.579 119.800 -0.057 0.000 2.279 251 Q HA 0.428 4.768 4.340 -0.000 0.000 0.256 251 Q C -1.510 174.447 176.000 -0.072 0.000 0.937 251 Q CA -0.396 55.441 55.803 0.057 0.000 0.933 251 Q CB 0.755 29.601 28.738 0.179 0.000 1.189 251 Q HN 0.611 nan 8.270 nan 0.000 0.417 252 F N 3.540 123.483 119.950 -0.011 0.000 2.391 252 F HA 0.192 4.719 4.527 -0.000 0.000 0.359 252 F C 0.540 176.339 175.800 -0.002 0.000 1.122 252 F CA -0.626 57.361 58.000 -0.022 0.000 1.120 252 F CB 0.745 39.700 39.000 -0.075 0.000 1.142 252 F HN 0.567 nan 8.300 nan 0.000 0.483 253 H N 5.756 124.861 119.070 0.059 0.000 2.764 253 H HA 0.138 4.694 4.556 -0.000 0.000 0.341 253 H C -1.896 173.415 175.328 -0.028 0.000 1.072 253 H CA -1.845 54.155 56.048 -0.079 0.000 1.444 253 H CB 1.756 31.305 29.762 -0.356 0.000 1.458 253 H HN 0.331 nan 8.280 nan 0.000 0.572 254 P HA -0.099 nan 4.420 nan 0.000 0.215 254 P C 0.108 177.525 177.300 0.196 0.000 1.157 254 P CA 1.904 65.023 63.100 0.031 0.000 0.868 254 P CB 0.130 31.760 31.700 -0.117 0.000 0.788 255 T N -2.488 112.294 114.554 0.380 0.000 3.262 255 T HA 0.619 4.969 4.350 -0.000 0.000 0.374 255 T C 0.304 175.019 174.700 0.024 0.000 1.504 255 T CA -0.847 61.366 62.100 0.189 0.000 1.158 255 T CB 0.163 69.118 68.868 0.145 0.000 1.157 255 T HN 0.010 nan 8.240 nan 0.000 0.644 256 G N 3.239 112.058 108.800 0.032 0.000 2.588 256 G HA2 0.543 4.503 3.960 -0.000 0.000 0.312 256 G HA3 0.543 4.503 3.960 -0.000 0.000 0.312 256 G C -0.017 174.883 174.900 -0.001 0.000 1.257 256 G CA -0.894 44.180 45.100 -0.044 0.000 0.994 256 G HN 0.918 nan 8.290 nan 0.000 0.498 257 I N 1.889 122.447 120.570 -0.020 0.000 3.156 257 I HA -0.167 4.002 4.170 -0.000 0.000 0.327 257 I C 0.343 176.486 176.117 0.044 0.000 1.194 257 I CA -0.039 61.274 61.300 0.020 0.000 1.473 257 I CB 0.417 38.412 38.000 -0.008 0.000 1.294 257 I HN 0.549 nan 8.210 nan 0.000 0.548 258 Y N 6.933 127.202 120.300 -0.052 0.000 2.497 258 Y HA 0.327 4.877 4.550 -0.000 0.000 0.334 258 Y C 1.123 177.006 175.900 -0.029 0.000 1.199 258 Y CA 1.135 59.194 58.100 -0.068 0.000 1.425 258 Y CB 0.831 39.168 38.460 -0.206 0.000 1.291 258 Y HN 0.848 nan 8.280 nan 0.000 0.562 259 G N 3.033 111.546 108.800 -0.479 0.000 3.909 259 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.218 259 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.218 259 G C 1.078 175.895 174.900 -0.139 0.000 1.404 259 G CA 0.366 45.313 45.100 -0.256 0.000 0.905 259 G HN 1.381 nan 8.290 nan 0.000 0.589 260 A N 0.449 123.234 122.820 -0.059 0.000 2.132 260 A HA 0.529 4.849 4.320 -0.000 0.000 0.213 260 A C 2.928 180.409 177.584 -0.171 0.000 1.154 260 A CA 2.100 54.086 52.037 -0.084 0.000 0.753 260 A CB -0.613 18.335 19.000 -0.087 0.000 0.826 260 A HN 2.706 nan 8.150 nan 0.000 0.469 261 G N -1.281 107.424 108.800 -0.159 0.000 2.220 261 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.269 261 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.269 261 G C 0.544 175.354 174.900 -0.150 0.000 0.977 261 G CA 0.325 45.338 45.100 -0.144 0.000 0.634 261 G HN 0.741 nan 8.290 nan 0.000 0.539 262 C N 0.403 119.572 119.300 -0.218 0.000 2.674 262 C HA 0.353 4.813 4.460 -0.000 0.000 0.405 262 C C 1.332 176.217 174.990 -0.176 0.000 1.285 262 C CA 0.272 59.142 59.018 -0.246 0.000 1.845 262 C CB -0.368 27.108 27.740 -0.440 0.000 2.689 262 C HN 0.748 nan 8.230 nan 0.000 0.643 263 L N 3.808 124.934 121.223 -0.162 0.000 2.375 263 L HA 0.565 4.904 4.340 -0.000 0.000 0.271 263 L C -0.451 176.312 176.870 -0.179 0.000 1.107 263 L CA 0.133 54.846 54.840 -0.211 0.000 0.806 263 L CB 0.293 42.218 42.059 -0.222 0.000 1.146 263 L HN 0.495 nan 8.230 nan 0.000 0.447 264 I N 4.241 124.690 120.570 -0.203 0.000 2.437 264 I HA 0.134 4.303 4.170 -0.000 0.000 0.279 264 I C 0.464 176.527 176.117 -0.090 0.000 1.028 264 I CA -0.264 60.978 61.300 -0.096 0.000 1.142 264 I CB 0.767 38.747 38.000 -0.033 0.000 1.266 264 I HN 0.668 nan 8.210 nan 0.000 0.461 265 T N 3.550 118.077 114.554 -0.046 0.000 2.902 265 T HA -0.146 4.204 4.350 -0.000 0.000 0.317 265 T C 1.325 176.044 174.700 0.033 0.000 1.064 265 T CA 0.778 62.898 62.100 0.034 0.000 1.130 265 T CB 0.491 69.421 68.868 0.104 0.000 1.073 265 T HN 0.752 nan 8.240 nan 0.000 0.524 266 E N 1.989 122.174 120.200 -0.025 0.000 2.347 266 E HA -0.004 4.345 4.350 -0.000 0.000 0.196 266 E C 2.105 178.457 176.600 -0.413 0.000 1.008 266 E CA 0.787 56.976 56.400 -0.351 0.000 0.852 266 E CB -0.695 28.512 29.700 -0.823 0.000 0.783 266 E HN 0.924 nan 8.360 nan 0.000 0.505 267 G N 0.438 109.161 108.800 -0.128 0.000 2.462 267 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.220 267 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.220 267 G C 1.569 176.488 174.900 0.031 0.000 1.121 267 G CA 0.898 46.051 45.100 0.089 0.000 0.758 267 G HN 0.373 nan 8.290 nan 0.000 0.559 268 C N -0.052 119.248 119.300 -0.001 0.000 2.413 268 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 268 C C 2.957 177.943 174.990 -0.007 0.000 1.228 268 C CA 0.946 59.968 59.018 0.008 0.000 1.731 268 C CB -0.856 26.890 27.740 0.010 0.000 2.042 268 C HN 0.488 nan 8.230 nan 0.000 0.468 269 R N 0.330 120.800 120.500 -0.051 0.000 2.120 269 R HA -0.058 4.282 4.340 -0.000 0.000 0.234 269 R C 2.318 178.594 176.300 -0.041 0.000 1.123 269 R CA 1.419 57.487 56.100 -0.053 0.000 0.975 269 R CB -0.589 29.648 30.300 -0.104 0.000 0.866 269 R HN 0.651 nan 8.270 nan 0.000 0.446 270 G N 0.400 109.167 108.800 -0.054 0.000 2.598 270 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 270 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 270 G C 1.060 175.997 174.900 0.062 0.000 1.131 270 G CA 0.307 45.408 45.100 0.001 0.000 0.785 270 G HN 0.204 nan 8.290 nan 0.000 0.539 271 E N -0.523 119.712 120.200 0.059 0.000 2.476 271 E HA 0.222 4.572 4.350 -0.000 0.000 0.199 271 E C 1.708 178.326 176.600 0.031 0.000 1.021 271 E CA 0.646 57.088 56.400 0.070 0.000 0.907 271 E CB 0.943 30.684 29.700 0.068 0.000 0.974 271 E HN 0.422 nan 8.360 nan 0.000 0.489 272 G N 0.716 109.537 108.800 0.035 0.000 2.624 272 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.190 272 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.190 272 G C 0.743 175.740 174.900 0.161 0.000 1.008 272 G CA -0.312 44.827 45.100 0.065 0.000 0.731 272 G HN 0.387 nan 8.290 nan 0.000 0.478 273 G N 0.977 109.840 108.800 0.105 0.000 2.414 273 G HA2 0.537 4.497 3.960 -0.000 0.000 0.236 273 G HA3 0.537 4.497 3.960 -0.000 0.000 0.236 273 G C 0.416 175.359 174.900 0.071 0.000 1.293 273 G CA 0.729 45.925 45.100 0.159 0.000 0.869 273 G HN 1.318 nan 8.290 nan 0.000 0.556 274 I N -0.953 119.629 120.570 0.020 0.000 3.264 274 I HA 0.670 4.840 4.170 -0.000 0.000 0.309 274 I C -0.447 175.612 176.117 -0.098 0.000 1.099 274 I CA -1.486 59.762 61.300 -0.085 0.000 0.989 274 I CB 1.887 39.784 38.000 -0.170 0.000 1.250 274 I HN 0.187 nan 8.210 nan 0.000 0.478 275 L N 2.318 123.418 121.223 -0.205 0.000 2.325 275 L HA 0.650 4.990 4.340 -0.000 0.000 0.278 275 L C -0.677 175.971 176.870 -0.370 0.000 1.023 275 L CA -0.603 54.078 54.840 -0.265 0.000 0.811 275 L CB 1.912 43.692 42.059 -0.465 0.000 1.249 275 L HN 0.465 nan 8.230 nan 0.000 0.431 276 I N 1.716 122.235 120.570 -0.084 0.000 2.722 276 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 276 I C -0.845 175.450 176.117 0.297 0.000 1.267 276 I CA -0.693 60.639 61.300 0.054 0.000 1.036 276 I CB 2.416 40.466 38.000 0.083 0.000 1.281 276 I HN 0.680 nan 8.210 nan 0.000 0.423 277 N N 2.233 121.140 118.700 0.344 0.000 2.593 277 N HA 0.249 4.989 4.740 -0.000 0.000 0.304 277 N C 1.000 176.505 175.510 -0.007 0.000 1.296 277 N CA -0.084 53.082 53.050 0.193 0.000 0.950 277 N CB 0.205 38.806 38.487 0.189 0.000 1.127 277 N HN 0.543 nan 8.380 nan 0.000 0.587 278 S N -1.240 114.408 115.700 -0.087 0.000 2.359 278 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 278 S C 1.528 176.099 174.600 -0.049 0.000 1.035 278 S CA 1.216 59.343 58.200 -0.123 0.000 1.018 278 S CB -0.857 62.269 63.200 -0.124 0.000 0.876 278 S HN 0.646 nan 8.310 nan 0.000 0.448 279 Q N 0.720 120.512 119.800 -0.013 0.000 2.311 279 Q HA 0.232 4.572 4.340 -0.000 0.000 0.203 279 Q C 1.337 177.352 176.000 0.025 0.000 0.954 279 Q CA 0.520 56.326 55.803 0.005 0.000 0.885 279 Q CB -0.117 28.626 28.738 0.009 0.000 0.963 279 Q HN 0.882 nan 8.270 nan 0.000 0.471 280 G N 1.660 110.487 108.800 0.045 0.000 2.143 280 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.175 280 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.175 280 G C -0.276 174.651 174.900 0.046 0.000 1.004 280 G CA 0.058 45.189 45.100 0.052 0.000 0.671 280 G HN 0.328 nan 8.290 nan 0.000 0.512 281 E N 0.006 120.254 120.200 0.081 0.000 2.319 281 E HA 0.524 4.874 4.350 -0.000 0.000 0.268 281 E C 0.524 177.123 176.600 -0.002 0.000 1.050 281 E CA -0.993 55.448 56.400 0.069 0.000 0.878 281 E CB 0.532 30.308 29.700 0.127 0.000 1.066 281 E HN 0.243 nan 8.360 nan 0.000 0.406 282 R N 4.685 125.133 120.500 -0.086 0.000 4.017 282 R HA 0.097 4.437 4.340 -0.000 0.000 0.272 282 R C 0.543 176.713 176.300 -0.217 0.000 1.516 282 R CA -0.198 55.746 56.100 -0.260 0.000 1.519 282 R CB -0.551 29.642 30.300 -0.178 0.000 1.422 282 R HN 0.623 nan 8.270 nan 0.000 0.719 283 F N -0.040 119.949 119.950 0.066 0.000 2.167 283 F HA -0.329 4.198 4.527 -0.000 0.000 0.301 283 F C 1.381 177.299 175.800 0.198 0.000 1.066 283 F CA 0.932 59.000 58.000 0.112 0.000 1.285 283 F CB -0.570 38.556 39.000 0.210 0.000 1.032 283 F HN 0.221 nan 8.300 nan 0.000 0.495 284 M N 0.835 120.512 119.600 0.128 0.000 2.358 284 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 284 M C 1.965 178.354 176.300 0.149 0.000 1.064 284 M CA 1.224 56.663 55.300 0.230 0.000 1.093 284 M CB -1.286 31.331 32.600 0.028 0.000 1.401 284 M HN 0.440 nan 8.290 nan 0.000 0.440 285 E N -0.445 119.788 120.200 0.055 0.000 2.204 285 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 285 E C 2.140 178.766 176.600 0.043 0.000 0.989 285 E CA 0.726 57.147 56.400 0.034 0.000 0.824 285 E CB -0.045 29.654 29.700 -0.002 0.000 0.756 285 E HN 0.464 nan 8.360 nan 0.000 0.477 286 R N -0.044 120.477 120.500 0.035 0.000 2.062 286 R HA -0.103 4.237 4.340 -0.000 0.000 0.226 286 R C 1.815 178.075 176.300 -0.068 0.000 1.125 286 R CA 1.140 57.198 56.100 -0.069 0.000 0.966 286 R CB -0.085 30.101 30.300 -0.189 0.000 0.861 286 R HN 0.147 nan 8.270 nan 0.000 0.433 287 Y N -0.520 119.841 120.300 0.102 0.000 2.220 287 Y HA 0.160 4.710 4.550 -0.000 0.000 0.291 287 Y C 0.871 176.825 175.900 0.092 0.000 1.129 287 Y CA 0.660 58.820 58.100 0.099 0.000 1.161 287 Y CB 0.282 38.816 38.460 0.123 0.000 0.997 287 Y HN 0.130 nan 8.280 nan 0.000 0.522 288 A N -0.270 122.699 122.820 0.248 0.000 2.842 288 A HA 0.406 4.726 4.320 -0.000 0.000 0.339 288 A C -2.096 175.558 177.584 0.117 0.000 1.177 288 A CA -1.356 50.786 52.037 0.175 0.000 0.797 288 A CB 0.135 19.236 19.000 0.168 0.000 1.094 288 A HN 0.021 nan 8.150 nan 0.000 0.474 289 P HA -0.224 nan 4.420 nan 0.000 0.218 289 P C 1.374 178.705 177.300 0.052 0.000 1.152 289 P CA 1.768 64.902 63.100 0.057 0.000 0.857 289 P CB 0.295 32.023 31.700 0.046 0.000 0.787 290 V N -1.172 118.782 119.914 0.066 0.000 2.602 290 V HA 0.103 4.223 4.120 -0.000 0.000 0.235 290 V C 2.316 178.449 176.094 0.065 0.000 1.087 290 V CA 1.414 63.749 62.300 0.059 0.000 1.117 290 V CB -1.705 30.153 31.823 0.059 0.000 0.820 290 V HN -0.010 nan 8.190 nan 0.000 0.490 291 A N -0.730 122.148 122.820 0.096 0.000 2.067 291 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 291 A C 1.585 179.198 177.584 0.048 0.000 1.158 291 A CA 1.543 53.634 52.037 0.091 0.000 0.661 291 A CB -0.344 18.752 19.000 0.160 0.000 0.801 291 A HN 0.632 nan 8.150 nan 0.000 0.452 292 K N -1.665 118.768 120.400 0.055 0.000 1.804 292 K HA -0.328 3.992 4.320 -0.000 0.000 0.138 292 K C 0.662 177.264 176.600 0.003 0.000 0.925 292 K CA 2.197 58.502 56.287 0.029 0.000 0.308 292 K CB -1.368 31.133 32.500 0.001 0.000 0.710 292 K HN 0.420 nan 8.250 nan 0.000 0.806 293 D N 0.789 121.168 120.400 -0.036 0.000 2.347 293 D HA 0.066 4.706 4.640 -0.000 0.000 0.215 293 D C 0.865 177.114 176.300 -0.085 0.000 0.976 293 D CA 0.686 54.646 54.000 -0.066 0.000 0.884 293 D CB 0.103 40.852 40.800 -0.084 0.000 0.915 293 D HN 0.188 nan 8.370 nan 0.000 0.526 294 L N 0.565 121.747 121.223 -0.067 0.000 2.912 294 L HA 0.415 4.755 4.340 -0.000 0.000 0.240 294 L C 0.659 177.472 176.870 -0.094 0.000 1.262 294 L CA -0.620 54.165 54.840 -0.092 0.000 1.058 294 L CB -0.106 41.916 42.059 -0.062 0.000 1.383 294 L HN -0.007 nan 8.230 nan 0.000 0.512 295 A N 0.027 122.777 122.820 -0.116 0.000 2.249 295 A HA 0.478 4.798 4.320 -0.000 0.000 0.281 295 A C 0.706 178.033 177.584 -0.428 0.000 1.127 295 A CA -0.240 51.670 52.037 -0.213 0.000 0.833 295 A CB 0.392 19.335 19.000 -0.095 0.000 1.140 295 A HN 0.370 nan 8.150 nan 0.000 0.502 296 S N -0.635 114.572 115.700 -0.822 0.000 2.576 296 S HA 0.197 4.667 4.470 -0.000 0.000 0.276 296 S C 0.968 175.365 174.600 -0.337 0.000 1.339 296 S CA -0.136 57.688 58.200 -0.628 0.000 1.039 296 S CB 0.663 63.399 63.200 -0.773 0.000 0.902 296 S HN 0.661 nan 8.310 nan 0.000 0.516 297 R N 1.630 121.977 120.500 -0.255 0.000 2.094 297 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 297 R C 2.109 178.325 176.300 -0.141 0.000 1.137 297 R CA 2.062 58.038 56.100 -0.207 0.000 0.943 297 R CB -0.780 29.399 30.300 -0.202 0.000 0.850 297 R HN 0.947 nan 8.270 nan 0.000 0.433 298 D N 0.606 120.949 120.400 -0.095 0.000 2.116 298 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 298 D C 1.870 178.108 176.300 -0.104 0.000 0.998 298 D CA 1.477 55.442 54.000 -0.058 0.000 0.836 298 D CB -0.595 40.208 40.800 0.005 0.000 0.951 298 D HN 0.124 nan 8.370 nan 0.000 0.449 299 V N 0.856 120.706 119.914 -0.106 0.000 2.261 299 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 299 V C 3.020 179.042 176.094 -0.121 0.000 1.047 299 V CA 1.575 63.824 62.300 -0.085 0.000 1.015 299 V CB -0.406 31.383 31.823 -0.058 0.000 0.642 299 V HN 0.133 nan 8.190 nan 0.000 0.446 300 V N -0.264 119.570 119.914 -0.133 0.000 2.255 300 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 300 V C 2.566 178.588 176.094 -0.119 0.000 1.051 300 V CA 2.415 64.648 62.300 -0.111 0.000 1.018 300 V CB -0.979 30.778 31.823 -0.111 0.000 0.641 300 V HN 0.540 nan 8.190 nan 0.000 0.445 301 S N -0.531 115.092 115.700 -0.128 0.000 2.365 301 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 301 S C 2.103 176.579 174.600 -0.206 0.000 1.039 301 S CA 1.834 59.953 58.200 -0.135 0.000 1.033 301 S CB -0.404 62.722 63.200 -0.123 0.000 0.887 301 S HN 0.514 nan 8.310 nan 0.000 0.447 302 R N 0.928 121.265 120.500 -0.272 0.000 2.105 302 R HA -0.061 4.279 4.340 -0.000 0.000 0.239 302 R C 2.619 178.823 176.300 -0.159 0.000 1.135 302 R CA 1.584 57.511 56.100 -0.289 0.000 0.967 302 R CB -0.499 29.632 30.300 -0.282 0.000 0.861 302 R HN 0.340 nan 8.270 nan 0.000 0.442 303 S N 1.010 116.513 115.700 -0.329 0.000 2.359 303 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 303 S C 1.955 176.274 174.600 -0.467 0.000 1.035 303 S CA 1.394 59.170 58.200 -0.706 0.000 1.018 303 S CB -0.166 62.605 63.200 -0.715 0.000 0.876 303 S HN 0.238 nan 8.310 nan 0.000 0.448 304 M N 1.208 120.661 119.600 -0.244 0.000 2.059 304 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 304 M C 2.479 178.677 176.300 -0.170 0.000 1.072 304 M CA 1.568 56.746 55.300 -0.204 0.000 1.117 304 M CB -1.144 31.441 32.600 -0.025 0.000 1.320 304 M HN 0.273 nan 8.290 nan 0.000 0.408 305 T N 1.197 115.696 114.554 -0.090 0.000 2.649 305 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 305 T C 1.700 176.404 174.700 0.006 0.000 1.036 305 T CA 1.722 63.819 62.100 -0.005 0.000 1.157 305 T CB -0.560 68.353 68.868 0.075 0.000 0.861 305 T HN 0.307 nan 8.240 nan 0.000 0.445 306 I N 0.905 121.475 120.570 0.001 0.000 2.099 306 I HA -0.168 4.002 4.170 -0.000 0.000 0.239 306 I C 2.776 178.847 176.117 -0.076 0.000 1.066 306 I CA 1.320 62.601 61.300 -0.032 0.000 1.324 306 I CB -0.417 37.586 38.000 0.005 0.000 1.037 306 I HN 0.195 nan 8.210 nan 0.000 0.401 307 E N 0.742 120.852 120.200 -0.150 0.000 2.187 307 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 307 E C 2.107 178.611 176.600 -0.160 0.000 1.004 307 E CA 1.403 57.680 56.400 -0.205 0.000 0.813 307 E CB -0.252 29.143 29.700 -0.507 0.000 0.736 307 E HN 0.581 nan 8.360 nan 0.000 0.468 308 I N 0.947 121.437 120.570 -0.135 0.000 2.130 308 I HA -0.236 3.934 4.170 -0.000 0.000 0.232 308 I C 2.650 178.726 176.117 -0.068 0.000 1.064 308 I CA 1.137 62.382 61.300 -0.092 0.000 1.338 308 I CB -0.418 37.550 38.000 -0.052 0.000 1.084 308 I HN 0.059 nan 8.210 nan 0.000 0.404 309 R N 1.302 121.772 120.500 -0.051 0.000 2.316 309 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 309 R C 1.490 177.754 176.300 -0.060 0.000 1.137 309 R CA 1.421 57.492 56.100 -0.048 0.000 1.012 309 R CB -0.540 29.731 30.300 -0.049 0.000 0.859 309 R HN 0.490 nan 8.270 nan 0.000 0.474 310 E N -0.227 119.933 120.200 -0.066 0.000 2.447 310 E HA 0.044 4.394 4.350 -0.000 0.000 0.195 310 E C 0.678 177.243 176.600 -0.058 0.000 1.028 310 E CA 0.513 56.876 56.400 -0.062 0.000 0.876 310 E CB 0.498 30.164 29.700 -0.057 0.000 0.885 310 E HN 0.695 nan 8.360 nan 0.000 0.500 311 G N 1.334 110.095 108.800 -0.064 0.000 2.284 311 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 311 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 311 G C 0.875 175.731 174.900 -0.074 0.000 0.998 311 G CA -0.163 44.899 45.100 -0.062 0.000 0.651 311 G HN 0.137 nan 8.290 nan 0.000 0.489 312 R N 1.149 121.597 120.500 -0.086 0.000 2.426 312 R HA 0.389 4.729 4.340 -0.000 0.000 0.263 312 R C 1.504 177.725 176.300 -0.132 0.000 0.961 312 R CA 0.264 56.307 56.100 -0.096 0.000 1.086 312 R CB 0.417 30.670 30.300 -0.079 0.000 1.186 312 R HN 0.368 nan 8.270 nan 0.000 0.537 313 G N 0.313 109.026 108.800 -0.144 0.000 2.554 313 G HA2 0.125 4.085 3.960 -0.000 0.000 0.238 313 G HA3 0.125 4.085 3.960 -0.000 0.000 0.238 313 G C 0.041 174.772 174.900 -0.282 0.000 1.259 313 G CA -0.441 44.544 45.100 -0.191 0.000 0.843 313 G HN 0.190 nan 8.290 nan 0.000 0.582 314 C N -0.456 118.577 119.300 -0.444 0.000 2.380 314 C HA 1.006 5.466 4.460 -0.000 0.000 0.393 314 C C 1.125 175.632 174.990 -0.806 0.000 1.284 314 C CA 0.690 59.341 59.018 -0.612 0.000 2.033 314 C CB 0.589 27.786 27.740 -0.905 0.000 2.165 314 C HN 1.680 nan 8.230 nan 0.000 0.540 315 G N 1.292 109.783 108.800 -0.516 0.000 2.728 315 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.294 315 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.294 315 G C -2.033 172.791 174.900 -0.128 0.000 1.342 315 G CA 0.013 44.975 45.100 -0.230 0.000 0.866 315 G HN 0.515 nan 8.290 nan 0.000 0.534 316 P HA 0.135 nan 4.420 nan 0.000 0.241 316 P C 0.762 178.055 177.300 -0.012 0.000 1.191 316 P CA 1.096 64.193 63.100 -0.004 0.000 0.771 316 P CB 0.424 32.146 31.700 0.036 0.000 0.929 317 E N -0.264 119.918 120.200 -0.030 0.000 2.539 317 E HA 0.071 4.421 4.350 -0.000 0.000 0.215 317 E C 0.198 176.760 176.600 -0.063 0.000 0.965 317 E CA -0.045 56.351 56.400 -0.007 0.000 1.019 317 E CB 0.237 29.982 29.700 0.076 0.000 1.059 317 E HN -0.028 nan 8.360 nan 0.000 0.496 318 K N 1.951 122.249 120.400 -0.169 0.000 3.148 318 K HA -0.172 4.148 4.320 -0.000 0.000 0.267 318 K C -0.124 176.380 176.600 -0.160 0.000 0.996 318 K CA 1.214 57.377 56.287 -0.206 0.000 0.737 318 K CB -1.613 30.812 32.500 -0.125 0.000 1.308 318 K HN 0.312 nan 8.250 nan 0.000 0.470 319 D N -1.379 118.914 120.400 -0.178 0.000 2.500 319 D HA 0.009 4.649 4.640 -0.000 0.000 0.218 319 D C 0.871 177.233 176.300 0.104 0.000 1.140 319 D CA 0.318 54.329 54.000 0.019 0.000 0.830 319 D CB 0.130 41.045 40.800 0.192 0.000 1.055 319 D HN 0.633 nan 8.370 nan 0.000 0.512 320 H N -0.961 118.116 119.070 0.011 0.000 3.043 320 H HA 0.735 5.291 4.556 -0.000 0.000 0.302 320 H C -0.244 175.096 175.328 0.020 0.000 1.506 320 H CA -0.992 55.093 56.048 0.062 0.000 1.282 320 H CB 1.386 31.199 29.762 0.086 0.000 1.914 320 H HN -0.060 nan 8.280 nan 0.000 0.625 321 V N -2.519 117.562 119.914 0.279 0.000 3.156 321 V HA 0.534 4.653 4.120 -0.000 0.000 0.311 321 V C -1.316 175.079 176.094 0.501 0.000 1.208 321 V CA -1.083 61.353 62.300 0.228 0.000 1.063 321 V CB 2.190 34.175 31.823 0.271 0.000 1.098 321 V HN 0.790 nan 8.190 nan 0.000 0.452 322 Y N 1.097 121.520 120.300 0.205 0.000 2.341 322 Y HA 0.652 5.202 4.550 -0.000 0.000 0.338 322 Y C -0.468 175.502 175.900 0.118 0.000 0.965 322 Y CA -1.038 57.157 58.100 0.158 0.000 1.108 322 Y CB 2.232 40.773 38.460 0.134 0.000 1.180 322 Y HN 0.623 nan 8.280 nan 0.000 0.458 323 L N 5.498 126.849 121.223 0.214 0.000 2.255 323 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 323 L C -0.432 176.489 176.870 0.086 0.000 1.046 323 L CA -0.248 54.661 54.840 0.116 0.000 0.816 323 L CB 1.132 43.245 42.059 0.089 0.000 1.197 323 L HN 0.639 nan 8.230 nan 0.000 0.427 324 Q N 3.927 123.772 119.800 0.074 0.000 2.243 324 Q HA 0.448 4.787 4.340 -0.000 0.000 0.252 324 Q C -0.461 175.594 176.000 0.091 0.000 0.909 324 Q CA -0.288 55.556 55.803 0.070 0.000 0.922 324 Q CB 1.226 29.947 28.738 -0.029 0.000 1.215 324 Q HN 0.945 nan 8.270 nan 0.000 0.427 325 L N 2.458 123.742 121.223 0.103 0.000 2.815 325 L HA 0.036 4.376 4.340 -0.000 0.000 0.241 325 L C 1.878 178.748 176.870 -0.000 0.000 1.047 325 L CA -0.148 54.732 54.840 0.067 0.000 0.939 325 L CB -0.282 41.804 42.059 0.045 0.000 1.490 325 L HN 0.805 nan 8.230 nan 0.000 0.510 326 H N 0.952 120.079 119.070 0.096 0.000 2.538 326 H HA -0.239 4.317 4.556 -0.000 0.000 0.295 326 H C 1.539 176.912 175.328 0.076 0.000 1.095 326 H CA 1.712 57.796 56.048 0.060 0.000 1.216 326 H CB -0.743 29.050 29.762 0.052 0.000 1.355 326 H HN 0.614 nan 8.280 nan 0.000 0.567 327 H N 0.001 118.883 119.070 -0.313 0.000 2.547 327 H HA 0.269 4.825 4.556 -0.000 0.000 0.266 327 H C 0.428 175.719 175.328 -0.062 0.000 0.988 327 H CA -0.269 55.681 56.048 -0.163 0.000 1.147 327 H CB -0.369 29.263 29.762 -0.216 0.000 1.365 327 H HN 0.262 nan 8.280 nan 0.000 0.589 328 L N 1.604 122.553 121.223 -0.458 0.000 2.375 328 L HA 0.398 4.738 4.340 -0.000 0.000 0.268 328 L C -2.144 174.646 176.870 -0.133 0.000 1.058 328 L CA -2.383 52.252 54.840 -0.342 0.000 0.803 328 L CB 1.005 42.837 42.059 -0.379 0.000 1.212 328 L HN -0.075 nan 8.230 nan 0.000 0.451 329 P HA 0.002 nan 4.420 nan 0.000 0.262 329 P C -1.952 175.328 177.300 -0.034 0.000 1.182 329 P CA -0.820 62.254 63.100 -0.043 0.000 0.761 329 P CB 0.125 31.804 31.700 -0.034 0.000 0.795 330 P HA -0.237 nan 4.420 nan 0.000 0.218 330 P C 1.366 178.657 177.300 -0.014 0.000 1.148 330 P CA 1.296 64.390 63.100 -0.010 0.000 0.822 330 P CB 0.185 31.884 31.700 -0.002 0.000 0.784 331 Q N 0.743 120.533 119.800 -0.017 0.000 2.046 331 Q HA -0.197 4.143 4.340 -0.000 0.000 0.200 331 Q C 2.382 178.366 176.000 -0.027 0.000 0.975 331 Q CA 1.750 57.541 55.803 -0.021 0.000 0.836 331 Q CB -0.580 28.146 28.738 -0.020 0.000 0.896 331 Q HN 0.385 nan 8.270 nan 0.000 0.428 332 Q N -0.270 119.512 119.800 -0.029 0.000 2.124 332 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 332 Q C 2.223 178.208 176.000 -0.025 0.000 0.977 332 Q CA 1.012 56.796 55.803 -0.032 0.000 0.850 332 Q CB -0.059 28.662 28.738 -0.028 0.000 0.901 332 Q HN 0.399 nan 8.270 nan 0.000 0.429 333 L N 0.314 121.524 121.223 -0.022 0.000 2.027 333 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 333 L C 2.563 179.428 176.870 -0.008 0.000 1.074 333 L CA 1.063 55.895 54.840 -0.012 0.000 0.745 333 L CB -0.544 41.508 42.059 -0.011 0.000 0.898 333 L HN 0.305 nan 8.230 nan 0.000 0.433 334 A N -1.240 121.573 122.820 -0.013 0.000 2.121 334 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 334 A C 2.160 179.732 177.584 -0.019 0.000 1.154 334 A CA 1.838 53.868 52.037 -0.013 0.000 0.679 334 A CB -0.480 18.512 19.000 -0.013 0.000 0.795 334 A HN 0.399 nan 8.150 nan 0.000 0.458 335 T N -1.678 112.858 114.554 -0.030 0.000 2.990 335 T HA 0.099 4.449 4.350 -0.000 0.000 0.249 335 T C 1.902 176.570 174.700 -0.054 0.000 1.039 335 T CA 0.318 62.388 62.100 -0.050 0.000 1.036 335 T CB 0.132 68.956 68.868 -0.074 0.000 0.994 335 T HN 0.318 nan 8.240 nan 0.000 0.489 336 R N 0.636 121.119 120.500 -0.027 0.000 2.164 336 R HA 0.378 4.718 4.340 -0.000 0.000 0.198 336 R C 0.740 177.067 176.300 0.044 0.000 1.028 336 R CA 0.458 56.564 56.100 0.009 0.000 1.083 336 R CB -0.131 30.192 30.300 0.039 0.000 1.026 336 R HN 0.300 nan 8.270 nan 0.000 0.514 337 L N 3.242 124.484 121.223 0.031 0.000 3.100 337 L HA 0.292 4.632 4.340 -0.000 0.000 0.259 337 L C -1.597 175.285 176.870 0.020 0.000 1.316 337 L CA -1.049 53.812 54.840 0.035 0.000 0.992 337 L CB 1.168 43.249 42.059 0.036 0.000 1.390 337 L HN -0.083 nan 8.230 nan 0.000 0.550 338 P HA -0.105 nan 4.420 nan 0.000 0.221 338 P C 1.539 178.842 177.300 0.006 0.000 1.150 338 P CA 1.213 64.315 63.100 0.005 0.000 0.800 338 P CB 0.440 32.138 31.700 -0.003 0.000 0.787 339 G N 1.767 110.572 108.800 0.009 0.000 2.453 339 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.215 339 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.215 339 G C 1.518 176.427 174.900 0.015 0.000 1.201 339 G CA 1.315 46.418 45.100 0.006 0.000 0.784 339 G HN 0.366 nan 8.290 nan 0.000 0.545 340 I N -0.340 120.241 120.570 0.018 0.000 2.454 340 I HA -0.020 4.150 4.170 -0.000 0.000 0.254 340 I C 2.418 178.553 176.117 0.029 0.000 1.156 340 I CA 1.743 63.054 61.300 0.020 0.000 1.433 340 I CB -0.646 37.364 38.000 0.017 0.000 1.082 340 I HN 0.009 nan 8.210 nan 0.000 0.432 341 S N 0.648 116.363 115.700 0.024 0.000 2.382 341 S HA -0.198 4.272 4.470 -0.000 0.000 0.228 341 S C 1.926 176.544 174.600 0.029 0.000 1.027 341 S CA 1.678 59.892 58.200 0.024 0.000 0.991 341 S CB -0.431 62.778 63.200 0.015 0.000 0.823 341 S HN 0.664 nan 8.310 nan 0.000 0.469 342 E N 1.083 121.301 120.200 0.030 0.000 2.285 342 E HA -0.022 4.327 4.350 -0.000 0.000 0.194 342 E C 1.819 178.466 176.600 0.077 0.000 0.997 342 E CA 1.123 57.545 56.400 0.037 0.000 0.845 342 E CB -0.370 29.344 29.700 0.023 0.000 0.782 342 E HN 0.351 nan 8.360 nan 0.000 0.491 343 T N -0.219 114.392 114.554 0.094 0.000 2.852 343 T HA 0.079 4.429 4.350 -0.000 0.000 0.256 343 T C 1.781 176.608 174.700 0.212 0.000 1.038 343 T CA 1.042 63.249 62.100 0.177 0.000 1.141 343 T CB -0.406 68.510 68.868 0.081 0.000 0.869 343 T HN 0.314 nan 8.240 nan 0.000 0.439 344 A N 1.881 124.769 122.820 0.113 0.000 1.884 344 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 344 A C 2.253 179.894 177.584 0.095 0.000 1.197 344 A CA 2.290 54.384 52.037 0.094 0.000 0.637 344 A CB -0.827 18.201 19.000 0.047 0.000 0.827 344 A HN 0.406 nan 8.150 nan 0.000 0.450 345 M N 0.228 119.865 119.600 0.063 0.000 2.065 345 M HA -0.099 4.381 4.480 -0.000 0.000 0.259 345 M C 1.823 178.125 176.300 0.004 0.000 1.071 345 M CA 1.825 57.141 55.300 0.027 0.000 1.109 345 M CB -0.730 31.877 32.600 0.012 0.000 1.313 345 M HN 0.418 nan 8.290 nan 0.000 0.408 346 I N -1.570 119.000 120.570 0.001 0.000 2.756 346 I HA -0.210 3.960 4.170 -0.000 0.000 0.262 346 I C 0.779 176.643 176.117 -0.421 0.000 1.225 346 I CA 0.890 62.080 61.300 -0.183 0.000 1.472 346 I CB -0.383 37.495 38.000 -0.204 0.000 1.094 346 I HN 0.183 nan 8.210 nan 0.000 0.454 347 F N -0.328 119.624 119.950 0.004 0.000 2.746 347 F HA 0.435 4.962 4.527 -0.000 0.000 0.320 347 F C 1.254 177.063 175.800 0.015 0.000 1.097 347 F CA 0.138 58.144 58.000 0.009 0.000 1.195 347 F CB 0.634 39.637 39.000 0.006 0.000 1.056 347 F HN -0.075 nan 8.300 nan 0.000 0.562 348 A N -0.978 121.916 122.820 0.125 0.000 2.584 348 A HA 0.493 4.813 4.320 -0.000 0.000 0.220 348 A C 1.597 179.200 177.584 0.032 0.000 1.182 348 A CA 0.350 52.436 52.037 0.081 0.000 1.043 348 A CB -0.719 18.328 19.000 0.079 0.000 1.164 348 A HN 0.504 nan 8.150 nan 0.000 0.506 349 G N -0.305 108.505 108.800 0.017 0.000 2.200 349 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.267 349 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.267 349 G C 0.428 175.326 174.900 -0.004 0.000 0.993 349 G CA 0.654 45.753 45.100 -0.002 0.000 0.701 349 G HN 1.162 nan 8.290 nan 0.000 0.524 350 V N 0.884 120.798 119.914 0.000 0.000 2.686 350 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 350 V C 0.337 176.427 176.094 -0.007 0.000 1.055 350 V CA -0.066 62.224 62.300 -0.016 0.000 1.050 350 V CB 1.812 33.619 31.823 -0.026 0.000 0.984 350 V HN 0.360 nan 8.190 nan 0.000 0.482 351 D N 3.378 123.769 120.400 -0.016 0.000 2.441 351 D HA 0.161 4.801 4.640 -0.000 0.000 0.231 351 D C 0.879 177.180 176.300 0.003 0.000 1.073 351 D CA -0.467 53.529 54.000 -0.006 0.000 0.850 351 D CB 1.881 42.675 40.800 -0.011 0.000 1.062 351 D HN 0.387 nan 8.370 nan 0.000 0.524 352 V N 2.529 122.453 119.914 0.018 0.000 3.099 352 V HA -0.175 3.945 4.120 -0.000 0.000 0.269 352 V C 1.451 177.588 176.094 0.071 0.000 1.150 352 V CA 2.321 64.646 62.300 0.041 0.000 1.165 352 V CB -1.483 30.360 31.823 0.034 0.000 0.756 352 V HN 0.654 nan 8.190 nan 0.000 0.527 353 T N -4.014 110.572 114.554 0.052 0.000 3.040 353 T HA 0.280 4.629 4.350 -0.000 0.000 0.250 353 T C 1.369 176.109 174.700 0.067 0.000 1.058 353 T CA 0.518 62.662 62.100 0.072 0.000 0.988 353 T CB 0.163 69.053 68.868 0.036 0.000 0.993 353 T HN 0.576 nan 8.240 nan 0.000 0.519 354 K N -0.333 120.067 120.400 0.001 0.000 2.504 354 K HA 0.341 4.661 4.320 -0.000 0.000 0.203 354 K C 0.134 176.594 176.600 -0.234 0.000 1.350 354 K CA 0.023 56.252 56.287 -0.096 0.000 0.953 354 K CB 0.798 33.261 32.500 -0.061 0.000 1.243 354 K HN 0.114 nan 8.250 nan 0.000 0.534 355 E N 0.575 120.685 120.200 -0.150 0.000 2.416 355 E HA 0.332 4.682 4.350 -0.000 0.000 0.273 355 E C -2.776 173.775 176.600 -0.081 0.000 0.935 355 E CA -2.215 54.080 56.400 -0.176 0.000 0.784 355 E CB 1.993 31.612 29.700 -0.135 0.000 1.301 355 E HN -0.127 nan 8.360 nan 0.000 0.454 356 P HA 0.317 nan 4.420 nan 0.000 0.274 356 P C -0.195 176.943 177.300 -0.270 0.000 1.246 356 P CA -0.241 62.761 63.100 -0.164 0.000 0.795 356 P CB 0.872 32.379 31.700 -0.321 0.000 1.006 357 I N 2.712 123.192 120.570 -0.150 0.000 2.336 357 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 357 I C -1.957 174.128 176.117 -0.052 0.000 0.991 357 I CA -2.739 58.508 61.300 -0.090 0.000 1.227 357 I CB 1.683 39.682 38.000 -0.002 0.000 1.366 357 I HN 0.132 nan 8.210 nan 0.000 0.466 358 P HA 0.185 nan 4.420 nan 0.000 0.282 358 P C -0.817 176.553 177.300 0.117 0.000 1.274 358 P CA -0.005 63.143 63.100 0.080 0.000 0.770 358 P CB 1.178 32.795 31.700 -0.138 0.000 0.867 359 V N 2.211 122.259 119.914 0.224 0.000 3.206 359 V HA 0.870 4.990 4.120 -0.000 0.000 0.305 359 V C -0.815 175.431 176.094 0.253 0.000 1.257 359 V CA -1.274 61.148 62.300 0.203 0.000 1.057 359 V CB 1.978 33.895 31.823 0.157 0.000 1.075 359 V HN 0.584 nan 8.190 nan 0.000 0.443 360 L N -2.544 118.802 121.223 0.204 0.000 2.724 360 L HA 0.854 5.194 4.340 -0.000 0.000 0.258 360 L C -3.214 173.746 176.870 0.151 0.000 0.967 360 L CA -1.750 53.203 54.840 0.188 0.000 0.891 360 L CB 1.904 44.100 42.059 0.228 0.000 1.456 360 L HN 0.465 nan 8.230 nan 0.000 0.416 361 P HA 0.184 nan 4.420 nan 0.000 0.262 361 P C -1.004 176.436 177.300 0.234 0.000 1.182 361 P CA 0.516 63.710 63.100 0.156 0.000 0.761 361 P CB 0.610 32.347 31.700 0.062 0.000 0.795 362 T N 2.467 117.164 114.554 0.239 0.000 2.886 362 T HA 0.238 4.588 4.350 -0.000 0.000 0.292 362 T C -0.230 174.477 174.700 0.012 0.000 1.012 362 T CA -0.609 61.585 62.100 0.157 0.000 0.982 362 T CB 0.983 69.885 68.868 0.056 0.000 1.018 362 T HN -0.029 nan 8.240 nan 0.000 0.451 363 V N 3.446 123.207 119.914 -0.255 0.000 2.625 363 V HA -0.004 4.116 4.120 -0.000 0.000 0.305 363 V C 0.977 176.929 176.094 -0.238 0.000 1.055 363 V CA 1.178 63.097 62.300 -0.636 0.000 1.209 363 V CB 0.122 31.496 31.823 -0.748 0.000 0.877 363 V HN 1.059 nan 8.190 nan 0.000 0.489 364 H N 3.930 122.816 119.070 -0.307 0.000 2.006 364 H HA 0.278 4.833 4.556 -0.000 0.000 0.189 364 H C -0.337 174.966 175.328 -0.043 0.000 0.887 364 H CA 0.181 56.165 56.048 -0.107 0.000 0.958 364 H CB 0.541 30.331 29.762 0.047 0.000 1.163 364 H HN 0.566 nan 8.280 nan 0.000 0.364 365 Y N 0.884 121.050 120.300 -0.223 0.000 2.545 365 Y HA 0.469 5.019 4.550 -0.000 0.000 0.348 365 Y C -1.539 174.215 175.900 -0.243 0.000 1.002 365 Y CA -1.320 56.621 58.100 -0.265 0.000 1.039 365 Y CB 1.605 39.993 38.460 -0.119 0.000 1.271 365 Y HN 0.159 nan 8.280 nan 0.000 0.467 366 N N 4.439 122.389 118.700 -1.250 0.000 2.476 366 N HA 0.246 4.985 4.740 -0.000 0.000 0.257 366 N C 0.126 175.082 175.510 -0.923 0.000 0.970 366 N CA -0.512 52.000 53.050 -0.896 0.000 0.938 366 N CB 1.309 39.269 38.487 -0.878 0.000 1.144 366 N HN 0.677 nan 8.380 nan 0.000 0.500 367 M N 0.790 120.211 119.600 -0.298 0.000 2.200 367 M HA 0.085 4.565 4.480 -0.000 0.000 0.265 367 M C 1.392 177.705 176.300 0.021 0.000 1.066 367 M CA 0.673 56.000 55.300 0.046 0.000 1.127 367 M CB -0.245 32.465 32.600 0.182 0.000 1.379 367 M HN 0.547 nan 8.290 nan 0.000 0.420 368 G N -0.919 107.896 108.800 0.025 0.000 2.634 368 G HA2 0.502 4.462 3.960 -0.000 0.000 0.255 368 G HA3 0.502 4.462 3.960 -0.000 0.000 0.255 368 G C 0.079 174.980 174.900 0.001 0.000 1.205 368 G CA 0.011 45.148 45.100 0.062 0.000 0.884 368 G HN 0.587 nan 8.290 nan 0.000 0.549 369 G N -1.348 107.457 108.800 0.009 0.000 2.323 369 G HA2 0.336 4.296 3.960 -0.000 0.000 0.291 369 G HA3 0.336 4.296 3.960 -0.000 0.000 0.291 369 G C -0.833 174.037 174.900 -0.049 0.000 1.278 369 G CA -1.002 44.094 45.100 -0.007 0.000 0.860 369 G HN 0.729 nan 8.290 nan 0.000 0.504 370 I N 2.982 123.515 120.570 -0.062 0.000 2.598 370 I HA 0.201 4.371 4.170 -0.000 0.000 0.284 370 I C -1.638 174.406 176.117 -0.122 0.000 1.140 370 I CA -1.133 60.111 61.300 -0.094 0.000 1.420 370 I CB 1.030 38.978 38.000 -0.086 0.000 1.387 370 I HN 0.155 nan 8.210 nan 0.000 0.553 371 P HA 0.109 nan 4.420 nan 0.000 0.276 371 P C -0.458 176.744 177.300 -0.164 0.000 1.235 371 P CA -0.021 62.978 63.100 -0.167 0.000 0.772 371 P CB 1.106 32.706 31.700 -0.166 0.000 0.871 372 T N 0.118 114.563 114.554 -0.182 0.000 2.838 372 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 372 T C -0.123 174.469 174.700 -0.179 0.000 1.113 372 T CA -0.804 61.185 62.100 -0.185 0.000 1.008 372 T CB 1.044 69.800 68.868 -0.188 0.000 1.259 372 T HN 0.407 nan 8.240 nan 0.000 0.520 373 N N -0.265 118.326 118.700 -0.182 0.000 2.538 373 N HA 0.220 4.960 4.740 -0.000 0.000 0.292 373 N C 0.759 176.175 175.510 -0.155 0.000 1.262 373 N CA -0.850 52.106 53.050 -0.158 0.000 0.976 373 N CB -0.321 38.039 38.487 -0.212 0.000 1.161 373 N HN 0.892 nan 8.380 nan 0.000 0.598 374 Y N -2.264 117.984 120.300 -0.087 0.000 2.680 374 Y HA 0.239 4.789 4.550 -0.000 0.000 0.303 374 Y C 0.646 176.494 175.900 -0.086 0.000 1.166 374 Y CA 0.616 58.679 58.100 -0.062 0.000 1.344 374 Y CB -0.228 38.225 38.460 -0.012 0.000 1.002 374 Y HN 0.412 nan 8.280 nan 0.000 0.537 375 K N 0.380 120.536 120.400 -0.407 0.000 2.372 375 K HA 0.297 4.616 4.320 -0.000 0.000 0.200 375 K C 1.345 177.921 176.600 -0.040 0.000 1.022 375 K CA 0.367 56.478 56.287 -0.294 0.000 1.125 375 K CB 0.261 32.514 32.500 -0.411 0.000 0.855 375 K HN 0.537 nan 8.250 nan 0.000 0.524 376 G N 1.947 110.733 108.800 -0.023 0.000 2.162 376 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 376 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 376 G C -0.196 174.701 174.900 -0.005 0.000 0.976 376 G CA 0.131 45.263 45.100 0.054 0.000 0.655 376 G HN 0.386 nan 8.290 nan 0.000 0.533 377 Q N -0.024 119.641 119.800 -0.226 0.000 2.288 377 Q HA 0.535 4.875 4.340 -0.000 0.000 0.254 377 Q C 0.410 176.178 176.000 -0.386 0.000 0.932 377 Q CA -0.682 54.763 55.803 -0.597 0.000 0.902 377 Q CB 2.283 30.703 28.738 -0.530 0.000 1.203 377 Q HN 0.148 nan 8.270 nan 0.000 0.415 378 V N 4.810 124.488 119.914 -0.394 0.000 2.572 378 V HA 0.114 4.234 4.120 -0.000 0.000 0.291 378 V C 0.349 176.324 176.094 -0.198 0.000 1.039 378 V CA 0.165 62.320 62.300 -0.241 0.000 1.055 378 V CB -0.172 31.534 31.823 -0.197 0.000 0.969 378 V HN 0.595 nan 8.190 nan 0.000 0.482 379 I N 2.097 122.578 120.570 -0.148 0.000 2.750 379 I HA 0.845 5.015 4.170 -0.000 0.000 0.308 379 I C -0.200 175.881 176.117 -0.060 0.000 1.016 379 I CA -0.369 60.871 61.300 -0.100 0.000 1.098 379 I CB 2.351 40.305 38.000 -0.077 0.000 1.279 379 I HN 0.536 nan 8.210 nan 0.000 0.454 380 T N 0.844 115.388 114.554 -0.018 0.000 2.916 380 T HA 0.454 4.803 4.350 -0.000 0.000 0.292 380 T C -1.438 173.323 174.700 0.103 0.000 1.055 380 T CA -0.359 61.759 62.100 0.030 0.000 1.009 380 T CB 1.066 69.946 68.868 0.020 0.000 1.118 380 T HN 0.794 nan 8.240 nan 0.000 0.497 381 H N 1.860 120.953 119.070 0.038 0.000 2.708 381 H HA 0.659 5.215 4.556 -0.000 0.000 0.320 381 H C -1.277 174.087 175.328 0.061 0.000 0.991 381 H CA -0.315 55.763 56.048 0.049 0.000 1.243 381 H CB 0.733 30.536 29.762 0.070 0.000 1.446 381 H HN 0.398 nan 8.280 nan 0.000 0.502 382 V N 5.359 125.120 119.914 -0.255 0.000 2.487 382 V HA 0.186 4.306 4.120 -0.000 0.000 0.298 382 V C 0.027 175.968 176.094 -0.256 0.000 1.028 382 V CA -1.173 61.023 62.300 -0.173 0.000 0.860 382 V CB 1.532 33.299 31.823 -0.094 0.000 0.991 382 V HN 1.030 nan 8.190 nan 0.000 0.427 383 N N 3.796 122.396 118.700 -0.167 0.000 2.714 383 N HA -0.216 4.524 4.740 -0.000 0.000 0.252 383 N C 1.161 176.555 175.510 -0.194 0.000 1.014 383 N CA 1.378 54.348 53.050 -0.135 0.000 0.735 383 N CB -0.824 37.604 38.487 -0.097 0.000 0.924 383 N HN 1.608 nan 8.380 nan 0.000 0.540 384 G N -0.464 108.159 108.800 -0.294 0.000 2.153 384 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.252 384 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.252 384 G C -0.207 174.540 174.900 -0.255 0.000 0.994 384 G CA 0.957 45.940 45.100 -0.196 0.000 0.698 384 G HN 0.891 nan 8.290 nan 0.000 0.521 385 E N 0.172 120.059 120.200 -0.522 0.000 2.308 385 E HA 0.574 4.924 4.350 -0.000 0.000 0.275 385 E C -1.179 175.313 176.600 -0.180 0.000 0.890 385 E CA -1.217 55.060 56.400 -0.204 0.000 0.754 385 E CB 1.678 31.308 29.700 -0.117 0.000 1.207 385 E HN 0.020 nan 8.360 nan 0.000 0.426 386 D N 2.769 123.212 120.400 0.071 0.000 2.341 386 D HA 0.266 4.905 4.640 -0.000 0.000 0.245 386 D C -0.475 175.830 176.300 0.009 0.000 1.106 386 D CA -0.089 53.981 54.000 0.115 0.000 0.905 386 D CB 1.088 41.964 40.800 0.125 0.000 1.202 386 D HN 0.339 nan 8.370 nan 0.000 0.426 387 K N 0.643 121.037 120.400 -0.009 0.000 2.535 387 K HA 0.318 4.638 4.320 -0.000 0.000 0.250 387 K C -0.938 175.629 176.600 -0.057 0.000 0.948 387 K CA -0.844 55.421 56.287 -0.037 0.000 0.796 387 K CB 2.610 35.085 32.500 -0.042 0.000 1.216 387 K HN 0.109 nan 8.250 nan 0.000 0.432 388 V N 2.692 122.559 119.914 -0.080 0.000 2.655 388 V HA 0.022 4.142 4.120 -0.000 0.000 0.300 388 V C 0.147 176.171 176.094 -0.116 0.000 1.044 388 V CA -0.331 61.895 62.300 -0.123 0.000 1.095 388 V CB 1.214 32.947 31.823 -0.149 0.000 0.952 388 V HN 0.438 nan 8.190 nan 0.000 0.485 389 V N 7.669 127.495 119.914 -0.146 0.000 2.339 389 V HA 0.212 4.332 4.120 -0.000 0.000 0.261 389 V C -2.162 173.849 176.094 -0.140 0.000 1.058 389 V CA -1.857 60.371 62.300 -0.119 0.000 0.897 389 V CB 0.693 32.449 31.823 -0.113 0.000 1.052 389 V HN 0.809 nan 8.190 nan 0.000 0.480 390 P HA 0.105 nan 4.420 nan 0.000 0.255 390 P C 1.050 178.327 177.300 -0.037 0.000 1.173 390 P CA 1.499 64.562 63.100 -0.062 0.000 0.780 390 P CB 0.119 31.802 31.700 -0.030 0.000 0.758 391 G N 1.791 110.584 108.800 -0.012 0.000 2.157 391 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 391 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 391 G C -0.478 174.453 174.900 0.051 0.000 0.982 391 G CA -0.317 44.819 45.100 0.059 0.000 0.650 391 G HN 0.578 nan 8.290 nan 0.000 0.527 392 L N 0.434 121.604 121.223 -0.089 0.000 2.385 392 L HA 0.885 5.225 4.340 -0.000 0.000 0.273 392 L C -0.805 175.881 176.870 -0.305 0.000 0.990 392 L CA -1.661 53.122 54.840 -0.094 0.000 0.821 392 L CB 1.307 43.300 42.059 -0.110 0.000 1.279 392 L HN 0.134 nan 8.230 nan 0.000 0.412 393 Y N 2.926 123.168 120.300 -0.097 0.000 2.605 393 Y HA 0.888 5.438 4.550 -0.000 0.000 0.343 393 Y C -0.096 175.744 175.900 -0.100 0.000 1.036 393 Y CA -0.679 57.359 58.100 -0.104 0.000 1.065 393 Y CB 2.423 40.814 38.460 -0.115 0.000 1.288 393 Y HN 0.714 nan 8.280 nan 0.000 0.481 394 A N 0.847 123.694 122.820 0.044 0.000 2.547 394 A HA 0.862 5.182 4.320 -0.000 0.000 0.297 394 A C -1.177 176.405 177.584 -0.003 0.000 1.056 394 A CA -0.563 51.469 52.037 -0.009 0.000 0.688 394 A CB 0.559 19.523 19.000 -0.060 0.000 1.282 394 A HN 1.152 nan 8.150 nan 0.000 0.400 395 C N -0.674 118.629 119.300 0.004 0.000 3.320 395 C HA 1.022 5.482 4.460 -0.000 0.000 0.335 395 C C 0.671 175.689 174.990 0.047 0.000 1.430 395 C CA -0.063 58.977 59.018 0.038 0.000 1.271 395 C CB 0.895 28.697 27.740 0.103 0.000 1.609 395 C HN 3.083 nan 8.230 nan 0.000 0.457 396 G N 0.145 109.005 108.800 0.099 0.000 2.725 396 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.220 396 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.220 396 G C 0.273 175.248 174.900 0.125 0.000 1.357 396 G CA 0.628 45.795 45.100 0.112 0.000 0.866 396 G HN 1.397 nan 8.290 nan 0.000 0.548 397 E N -0.182 120.104 120.200 0.143 0.000 2.265 397 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 397 E C 2.638 179.236 176.600 -0.003 0.000 0.996 397 E CA 1.557 58.036 56.400 0.132 0.000 0.832 397 E CB -0.340 29.426 29.700 0.110 0.000 0.756 397 E HN 0.974 nan 8.360 nan 0.000 0.491 398 A N 0.420 123.242 122.820 0.003 0.000 2.168 398 A HA 0.249 4.568 4.320 -0.000 0.000 0.215 398 A C 1.027 178.596 177.584 -0.024 0.000 1.152 398 A CA 0.807 52.835 52.037 -0.014 0.000 0.716 398 A CB -0.108 18.884 19.000 -0.014 0.000 0.794 398 A HN 0.294 nan 8.150 nan 0.000 0.465 399 A N -1.150 121.656 122.820 -0.023 0.000 2.282 399 A HA 0.710 5.030 4.320 -0.000 0.000 0.324 399 A C 0.121 177.660 177.584 -0.075 0.000 1.119 399 A CA -0.095 51.905 52.037 -0.062 0.000 0.880 399 A CB 0.988 19.937 19.000 -0.085 0.000 1.294 399 A HN 0.512 nan 8.150 nan 0.000 0.493 400 S N -0.793 114.828 115.700 -0.132 0.000 2.496 400 S HA 0.479 4.949 4.470 -0.000 0.000 0.221 400 S C 0.546 175.002 174.600 -0.240 0.000 1.260 400 S CA 0.164 58.269 58.200 -0.158 0.000 1.181 400 S CB 0.392 63.510 63.200 -0.136 0.000 1.136 400 S HN 1.444 nan 8.310 nan 0.000 0.467 401 A N 2.741 125.371 122.820 -0.317 0.000 1.929 401 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 401 A C 1.164 178.600 177.584 -0.247 0.000 1.176 401 A CA 1.153 52.967 52.037 -0.371 0.000 0.628 401 A CB -0.234 18.356 19.000 -0.684 0.000 0.816 401 A HN 1.296 nan 8.150 nan 0.000 0.444 402 S N -0.296 115.276 115.700 -0.213 0.000 2.669 402 S HA 0.408 4.878 4.470 -0.000 0.000 0.315 402 S C 0.703 175.167 174.600 -0.228 0.000 1.106 402 S CA -0.119 57.938 58.200 -0.239 0.000 1.107 402 S CB 1.099 64.193 63.200 -0.177 0.000 0.990 402 S HN 0.922 nan 8.310 nan 0.000 0.471 403 V N 0.061 119.744 119.914 -0.385 0.000 2.490 403 V HA -0.144 3.976 4.120 -0.000 0.000 0.250 403 V C 1.829 177.739 176.094 -0.308 0.000 1.061 403 V CA 1.356 63.450 62.300 -0.343 0.000 1.064 403 V CB -1.319 30.286 31.823 -0.362 0.000 0.670 403 V HN 0.943 nan 8.190 nan 0.000 0.461 404 H N 1.002 120.065 119.070 -0.013 0.000 2.544 404 H HA 0.354 4.910 4.556 -0.000 0.000 0.269 404 H C 2.017 177.316 175.328 -0.047 0.000 0.970 404 H CA 0.461 56.503 56.048 -0.009 0.000 1.219 404 H CB -0.310 29.501 29.762 0.081 0.000 1.421 404 H HN 0.597 nan 8.280 nan 0.000 0.555 405 G N 1.379 110.179 108.800 0.001 0.000 2.660 405 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.321 405 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.321 405 G C 1.315 176.071 174.900 -0.239 0.000 1.246 405 G CA 1.715 46.752 45.100 -0.106 0.000 1.000 405 G HN 0.634 nan 8.290 nan 0.000 0.550 406 A N 0.331 122.984 122.820 -0.278 0.000 2.308 406 A HA 0.524 4.844 4.320 -0.000 0.000 0.217 406 A C 0.813 178.440 177.584 0.071 0.000 1.216 406 A CA 1.361 53.239 52.037 -0.266 0.000 0.864 406 A CB -0.197 18.686 19.000 -0.196 0.000 0.902 406 A HN 1.136 nan 8.150 nan 0.000 0.499 407 N N -0.387 118.342 118.700 0.048 0.000 2.648 407 N HA 0.137 4.877 4.740 -0.000 0.000 0.272 407 N C -1.245 174.295 175.510 0.050 0.000 1.118 407 N CA -0.467 52.627 53.050 0.073 0.000 0.973 407 N CB 1.035 39.551 38.487 0.048 0.000 1.565 407 N HN 0.284 nan 8.380 nan 0.000 0.542 408 R N 4.351 124.881 120.500 0.050 0.000 2.357 408 R HA 0.382 4.722 4.340 -0.000 0.000 0.296 408 R C -0.447 175.812 176.300 -0.069 0.000 1.052 408 R CA -0.325 55.746 56.100 -0.049 0.000 0.988 408 R CB 0.760 30.862 30.300 -0.331 0.000 1.025 408 R HN 0.488 nan 8.270 nan 0.000 0.469 409 L N 3.530 124.735 121.223 -0.030 0.000 2.349 409 L HA 0.255 4.595 4.340 -0.000 0.000 0.275 409 L C 1.068 177.959 176.870 0.036 0.000 1.115 409 L CA -0.374 54.474 54.840 0.013 0.000 0.820 409 L CB 1.188 43.284 42.059 0.062 0.000 1.135 409 L HN 0.840 nan 8.230 nan 0.000 0.445 410 G N 2.424 111.309 108.800 0.141 0.000 2.265 410 G HA2 0.263 4.223 3.960 -0.000 0.000 0.240 410 G HA3 0.263 4.223 3.960 -0.000 0.000 0.240 410 G C 0.819 175.810 174.900 0.151 0.000 1.270 410 G CA 0.434 45.738 45.100 0.340 0.000 0.901 410 G HN 1.163 nan 8.290 nan 0.000 0.507 411 A N 1.913 124.717 122.820 -0.027 0.000 3.168 411 A HA -0.167 4.153 4.320 -0.000 0.000 0.249 411 A C 1.541 179.081 177.584 -0.072 0.000 1.280 411 A CA 1.151 53.058 52.037 -0.217 0.000 1.128 411 A CB -1.767 16.862 19.000 -0.618 0.000 1.160 411 A HN 0.658 nan 8.150 nan 0.000 0.900 412 N N -0.780 117.902 118.700 -0.029 0.000 2.282 412 N HA 0.150 4.890 4.740 -0.000 0.000 0.185 412 N C 1.626 177.181 175.510 0.075 0.000 1.099 412 N CA 1.180 54.267 53.050 0.062 0.000 0.878 412 N CB 0.277 38.833 38.487 0.115 0.000 0.993 412 N HN 0.605 nan 8.380 nan 0.000 0.481 413 S N 0.163 115.796 115.700 -0.112 0.000 2.348 413 S HA 0.140 4.610 4.470 -0.000 0.000 0.219 413 S C 1.800 176.429 174.600 0.049 0.000 1.033 413 S CA 0.460 58.603 58.200 -0.094 0.000 0.974 413 S CB -0.218 62.790 63.200 -0.320 0.000 0.868 413 S HN 0.205 nan 8.310 nan 0.000 0.459 414 L N 1.240 122.474 121.223 0.018 0.000 2.129 414 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 414 L C 2.456 179.366 176.870 0.066 0.000 1.087 414 L CA 0.895 55.761 54.840 0.043 0.000 0.757 414 L CB -0.496 41.578 42.059 0.026 0.000 0.896 414 L HN 0.387 nan 8.230 nan 0.000 0.434 415 L N 0.189 121.457 121.223 0.075 0.000 2.023 415 L HA -0.201 4.139 4.340 -0.000 0.000 0.205 415 L C 2.200 179.136 176.870 0.110 0.000 1.073 415 L CA 2.092 56.981 54.840 0.082 0.000 0.745 415 L CB -0.822 41.300 42.059 0.106 0.000 0.900 415 L HN 0.236 nan 8.230 nan 0.000 0.435 416 D N -0.307 120.218 120.400 0.209 0.000 2.133 416 D HA -0.260 4.380 4.640 -0.000 0.000 0.192 416 D C 2.182 178.664 176.300 0.303 0.000 1.001 416 D CA 2.143 56.359 54.000 0.361 0.000 0.844 416 D CB -0.340 40.723 40.800 0.438 0.000 0.944 416 D HN 0.456 nan 8.370 nan 0.000 0.447 417 L N 0.176 121.519 121.223 0.201 0.000 1.963 417 L HA -0.259 4.081 4.340 -0.000 0.000 0.220 417 L C 2.851 179.773 176.870 0.086 0.000 1.076 417 L CA 2.287 57.212 54.840 0.140 0.000 0.772 417 L CB -1.208 40.909 42.059 0.097 0.000 0.892 417 L HN 0.157 nan 8.230 nan 0.000 0.435 418 V N -3.531 116.411 119.914 0.047 0.000 2.358 418 V HA -0.161 3.959 4.120 -0.000 0.000 0.246 418 V C 2.350 178.407 176.094 -0.060 0.000 1.047 418 V CA 1.406 63.704 62.300 -0.005 0.000 1.035 418 V CB -0.812 31.011 31.823 0.001 0.000 0.658 418 V HN 0.203 nan 8.190 nan 0.000 0.452 419 V N 0.043 119.896 119.914 -0.103 0.000 2.261 419 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 419 V C 2.434 178.328 176.094 -0.334 0.000 1.047 419 V CA 2.566 64.704 62.300 -0.270 0.000 1.015 419 V CB -0.834 30.716 31.823 -0.454 0.000 0.642 419 V HN 0.496 nan 8.190 nan 0.000 0.446 420 F N 1.008 121.003 119.950 0.076 0.000 2.367 420 F HA 0.126 4.653 4.527 -0.000 0.000 0.298 420 F C 2.328 178.114 175.800 -0.023 0.000 1.094 420 F CA 0.972 58.991 58.000 0.032 0.000 1.409 420 F CB -1.247 37.765 39.000 0.020 0.000 1.064 420 F HN 0.177 nan 8.300 nan 0.000 0.528 421 G N -0.043 108.798 108.800 0.069 0.000 2.418 421 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 421 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 421 G C 1.802 176.636 174.900 -0.111 0.000 1.158 421 G CA 0.806 45.886 45.100 -0.033 0.000 0.771 421 G HN 0.278 nan 8.290 nan 0.000 0.545 422 R N 0.474 120.906 120.500 -0.112 0.000 2.073 422 R HA 0.139 4.479 4.340 -0.000 0.000 0.229 422 R C 2.849 179.090 176.300 -0.098 0.000 1.120 422 R CA 1.355 57.373 56.100 -0.137 0.000 0.967 422 R CB -0.395 29.839 30.300 -0.110 0.000 0.862 422 R HN 0.249 nan 8.270 nan 0.000 0.436 423 A N 0.475 123.267 122.820 -0.047 0.000 1.908 423 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 423 A C 2.400 179.941 177.584 -0.071 0.000 1.181 423 A CA 1.715 53.733 52.037 -0.031 0.000 0.627 423 A CB -1.005 17.974 19.000 -0.035 0.000 0.818 423 A HN 0.607 nan 8.150 nan 0.000 0.445 424 C N -1.124 118.128 119.300 -0.081 0.000 2.422 424 C HA 0.083 4.543 4.460 -0.000 0.000 0.279 424 C C 3.277 178.044 174.990 -0.371 0.000 1.305 424 C CA 0.616 59.506 59.018 -0.213 0.000 1.757 424 C CB -1.407 26.214 27.740 -0.200 0.000 1.962 424 C HN 0.712 nan 8.230 nan 0.000 0.499 425 A N 0.515 123.165 122.820 -0.283 0.000 1.898 425 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 425 A C 2.089 179.527 177.584 -0.244 0.000 1.181 425 A CA 1.425 53.279 52.037 -0.307 0.000 0.620 425 A CB -0.512 18.330 19.000 -0.263 0.000 0.819 425 A HN 0.598 nan 8.150 nan 0.000 0.442 426 L N -1.039 120.091 121.223 -0.154 0.000 2.044 426 L HA -0.125 4.215 4.340 -0.000 0.000 0.205 426 L C 2.803 179.621 176.870 -0.086 0.000 1.075 426 L CA 1.672 56.461 54.840 -0.085 0.000 0.747 426 L CB -1.055 40.987 42.059 -0.027 0.000 0.903 426 L HN 0.302 nan 8.230 nan 0.000 0.435 427 T N 0.590 115.082 114.554 -0.103 0.000 2.652 427 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 427 T C 1.913 176.558 174.700 -0.092 0.000 1.039 427 T CA 1.718 63.782 62.100 -0.060 0.000 1.153 427 T CB -0.303 68.577 68.868 0.021 0.000 0.863 427 T HN 0.193 nan 8.240 nan 0.000 0.428 428 I N 1.491 121.895 120.570 -0.277 0.000 2.163 428 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 428 I C 2.994 179.021 176.117 -0.150 0.000 1.085 428 I CA 1.265 62.372 61.300 -0.321 0.000 1.347 428 I CB -0.673 36.933 38.000 -0.657 0.000 1.044 428 I HN 0.190 nan 8.210 nan 0.000 0.408 429 A N 1.337 124.073 122.820 -0.141 0.000 1.978 429 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 429 A C 2.259 179.928 177.584 0.142 0.000 1.170 429 A CA 2.188 54.304 52.037 0.131 0.000 0.636 429 A CB -0.721 18.334 19.000 0.093 0.000 0.810 429 A HN 0.717 nan 8.150 nan 0.000 0.448 430 E N -1.841 118.394 120.200 0.059 0.000 2.190 430 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 430 E C 1.721 178.358 176.600 0.062 0.000 0.978 430 E CA 1.184 57.618 56.400 0.057 0.000 0.839 430 E CB -0.529 29.191 29.700 0.034 0.000 0.787 430 E HN 0.365 nan 8.360 nan 0.000 0.473 431 T N 0.674 115.264 114.554 0.059 0.000 2.698 431 T HA 0.003 4.353 4.350 -0.000 0.000 0.260 431 T C 1.152 175.907 174.700 0.092 0.000 1.044 431 T CA 1.038 63.178 62.100 0.066 0.000 1.149 431 T CB -0.136 68.774 68.868 0.071 0.000 0.864 431 T HN 0.222 nan 8.240 nan 0.000 0.419 432 C N 0.750 120.132 119.300 0.138 0.000 2.380 432 C HA 0.788 5.248 4.460 -0.000 0.000 0.393 432 C C 0.224 175.353 174.990 0.231 0.000 1.284 432 C CA -1.056 58.071 59.018 0.182 0.000 2.033 432 C CB 1.244 29.113 27.740 0.215 0.000 2.165 432 C HN 0.338 nan 8.230 nan 0.000 0.540 433 K N 0.608 121.090 120.400 0.137 0.000 2.378 433 K HA 0.527 4.847 4.320 -0.000 0.000 0.252 433 K C -2.914 173.538 176.600 -0.246 0.000 0.931 433 K CA -1.517 54.735 56.287 -0.058 0.000 0.794 433 K CB 1.220 33.692 32.500 -0.047 0.000 1.181 433 K HN 0.227 nan 8.250 nan 0.000 0.425 434 P HA 0.142 nan 4.420 nan 0.000 0.268 434 P C 0.171 177.320 177.300 -0.252 0.000 1.204 434 P CA 0.702 63.379 63.100 -0.706 0.000 0.768 434 P CB 0.947 32.120 31.700 -0.878 0.000 0.842 435 G N 1.753 110.487 108.800 -0.110 0.000 2.254 435 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.225 435 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.225 435 G C 0.129 175.020 174.900 -0.014 0.000 1.003 435 G CA -0.411 44.658 45.100 -0.051 0.000 0.622 435 G HN 0.547 nan 8.290 nan 0.000 0.507 436 E N 2.925 123.123 120.200 -0.003 0.000 2.653 436 E HA 0.224 4.574 4.350 -0.000 0.000 0.264 436 E C -1.697 174.921 176.600 0.031 0.000 0.949 436 E CA -0.262 56.150 56.400 0.019 0.000 0.953 436 E CB 0.419 30.144 29.700 0.042 0.000 0.925 436 E HN 0.348 nan 8.360 nan 0.000 0.475 437 P HA -0.116 nan 4.420 nan 0.000 0.260 437 P C -0.292 177.030 177.300 0.036 0.000 1.172 437 P CA 0.252 63.365 63.100 0.023 0.000 0.760 437 P CB 0.524 32.234 31.700 0.016 0.000 0.773 438 V N 6.410 126.348 119.914 0.039 0.000 2.614 438 V HA 0.195 4.314 4.120 -0.000 0.000 0.291 438 V C -1.602 174.518 176.094 0.042 0.000 1.049 438 V CA -1.741 60.591 62.300 0.053 0.000 1.038 438 V CB 0.356 32.215 31.823 0.061 0.000 0.980 438 V HN 0.577 nan 8.190 nan 0.000 0.481 439 P HA 0.100 nan 4.420 nan 0.000 0.269 439 P C -0.361 176.958 177.300 0.032 0.000 1.209 439 P CA 0.097 63.218 63.100 0.036 0.000 0.776 439 P CB 0.896 32.619 31.700 0.038 0.000 0.876 440 S N 1.757 117.470 115.700 0.022 0.000 2.601 440 S HA 0.529 4.999 4.470 -0.000 0.000 0.271 440 S C 0.217 174.827 174.600 0.017 0.000 1.305 440 S CA -0.782 57.428 58.200 0.017 0.000 1.022 440 S CB -0.309 62.897 63.200 0.011 0.000 0.940 440 S HN 0.421 nan 8.310 nan 0.000 0.525 441 I N 1.282 121.860 120.570 0.014 0.000 2.534 441 I HA 0.510 4.680 4.170 -0.000 0.000 0.288 441 I C -0.371 175.750 176.117 0.006 0.000 1.077 441 I CA -1.253 60.055 61.300 0.013 0.000 1.051 441 I CB 1.850 39.861 38.000 0.018 0.000 1.234 441 I HN 0.664 nan 8.210 nan 0.000 0.425 442 K N 4.717 125.120 120.400 0.005 0.000 2.530 442 K HA 0.152 4.472 4.320 -0.000 0.000 0.280 442 K C -2.019 174.581 176.600 -0.001 0.000 1.004 442 K CA -0.611 55.677 56.287 0.002 0.000 1.071 442 K CB 0.029 32.530 32.500 0.002 0.000 0.876 442 K HN 0.376 nan 8.250 nan 0.000 0.487 443 P HA -0.285 nan 4.420 nan 0.000 0.219 443 P C 0.393 177.689 177.300 -0.006 0.000 1.151 443 P CA 1.694 64.791 63.100 -0.006 0.000 0.850 443 P CB -0.060 31.637 31.700 -0.005 0.000 0.784 444 N N -1.467 117.231 118.700 -0.003 0.000 2.280 444 N HA 0.072 4.812 4.740 -0.000 0.000 0.192 444 N C 0.204 175.712 175.510 -0.003 0.000 1.109 444 N CA -0.030 53.018 53.050 -0.003 0.000 0.855 444 N CB -0.295 38.191 38.487 -0.002 0.000 0.974 444 N HN -0.098 nan 8.380 nan 0.000 0.482 445 A N 0.677 123.496 122.820 -0.001 0.000 2.558 445 A HA 0.378 4.698 4.320 -0.000 0.000 0.262 445 A C 1.522 179.107 177.584 0.002 0.000 1.049 445 A CA 0.834 52.873 52.037 0.003 0.000 0.804 445 A CB -1.141 17.863 19.000 0.007 0.000 0.957 445 A HN 0.837 nan 8.150 nan 0.000 0.520 446 G N 1.953 110.754 108.800 0.002 0.000 2.176 446 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.232 446 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.232 446 G C 0.780 175.674 174.900 -0.010 0.000 0.986 446 G CA 0.872 45.972 45.100 0.001 0.000 0.643 446 G HN 1.238 nan 8.290 nan 0.000 0.522 447 E N 0.584 120.777 120.200 -0.011 0.000 2.171 447 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 447 E C 1.751 178.338 176.600 -0.021 0.000 0.997 447 E CA 1.430 57.821 56.400 -0.016 0.000 0.810 447 E CB -0.391 29.305 29.700 -0.006 0.000 0.738 447 E HN 0.667 nan 8.360 nan 0.000 0.467 448 E N 0.762 120.954 120.200 -0.014 0.000 2.106 448 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 448 E C 2.223 178.811 176.600 -0.020 0.000 0.984 448 E CA 1.179 57.571 56.400 -0.013 0.000 0.806 448 E CB 0.024 29.721 29.700 -0.005 0.000 0.750 448 E HN 0.255 nan 8.360 nan 0.000 0.458 449 S N 0.588 116.276 115.700 -0.020 0.000 2.356 449 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 449 S C 2.267 176.829 174.600 -0.063 0.000 1.032 449 S CA 0.986 59.173 58.200 -0.022 0.000 1.005 449 S CB -0.224 62.974 63.200 -0.004 0.000 0.867 449 S HN 0.062 nan 8.310 nan 0.000 0.449 450 V N 2.402 122.258 119.914 -0.096 0.000 2.255 450 V HA -0.264 3.855 4.120 -0.000 0.000 0.247 450 V C 2.699 178.692 176.094 -0.168 0.000 1.051 450 V CA 1.761 63.938 62.300 -0.205 0.000 1.018 450 V CB -1.453 30.252 31.823 -0.197 0.000 0.641 450 V HN 0.543 nan 8.190 nan 0.000 0.445 451 A N 0.667 123.439 122.820 -0.080 0.000 1.881 451 A HA -0.415 3.905 4.320 -0.000 0.000 0.219 451 A C 2.079 179.646 177.584 -0.028 0.000 1.215 451 A CA 2.939 54.955 52.037 -0.034 0.000 0.648 451 A CB -1.137 17.854 19.000 -0.016 0.000 0.832 451 A HN 0.659 nan 8.150 nan 0.000 0.455 452 N N -0.267 118.413 118.700 -0.033 0.000 2.043 452 N HA -0.171 4.569 4.740 -0.000 0.000 0.193 452 N C 1.691 177.181 175.510 -0.034 0.000 1.037 452 N CA 1.872 54.907 53.050 -0.025 0.000 0.851 452 N CB -0.426 38.049 38.487 -0.019 0.000 1.027 452 N HN 0.509 nan 8.380 nan 0.000 0.422 453 L N 0.455 121.637 121.223 -0.069 0.000 1.978 453 L HA -0.271 4.069 4.340 -0.000 0.000 0.218 453 L C 2.089 178.929 176.870 -0.050 0.000 1.075 453 L CA 2.246 57.028 54.840 -0.096 0.000 0.767 453 L CB -0.777 41.170 42.059 -0.186 0.000 0.890 453 L HN 0.351 nan 8.230 nan 0.000 0.434 454 D N -0.375 120.008 120.400 -0.028 0.000 2.149 454 D HA -0.279 4.361 4.640 -0.000 0.000 0.198 454 D C 2.118 178.546 176.300 0.212 0.000 0.990 454 D CA 1.564 55.669 54.000 0.176 0.000 0.839 454 D CB 0.024 40.973 40.800 0.248 0.000 0.948 454 D HN 0.412 nan 8.370 nan 0.000 0.460 455 K N 0.312 120.775 120.400 0.106 0.000 2.057 455 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 455 K C 2.511 179.152 176.600 0.069 0.000 1.049 455 K CA 0.711 57.052 56.287 0.089 0.000 0.931 455 K CB -0.099 32.419 32.500 0.030 0.000 0.714 455 K HN 0.185 nan 8.250 nan 0.000 0.440 456 L N 0.399 121.633 121.223 0.019 0.000 2.156 456 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 456 L C 2.786 179.635 176.870 -0.036 0.000 1.095 456 L CA 0.800 55.630 54.840 -0.017 0.000 0.770 456 L CB -0.397 41.636 42.059 -0.043 0.000 0.914 456 L HN 0.248 nan 8.230 nan 0.000 0.439 457 R N 0.542 121.012 120.500 -0.049 0.000 2.091 457 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 457 R C 1.260 177.380 176.300 -0.300 0.000 1.136 457 R CA 1.714 57.696 56.100 -0.196 0.000 0.959 457 R CB -0.088 30.065 30.300 -0.245 0.000 0.856 457 R HN 0.222 nan 8.270 nan 0.000 0.437 458 F N 0.743 120.692 119.950 -0.001 0.000 2.668 458 F HA 0.395 4.922 4.527 -0.000 0.000 0.297 458 F C 0.444 176.217 175.800 -0.045 0.000 1.124 458 F CA -0.419 57.570 58.000 -0.018 0.000 1.353 458 F CB 0.416 39.414 39.000 -0.004 0.000 0.992 458 F HN 0.030 nan 8.300 nan 0.000 0.524 459 A N 0.451 123.308 122.820 0.062 0.000 2.477 459 A HA 0.269 4.589 4.320 -0.000 0.000 0.246 459 A C 0.107 177.656 177.584 -0.058 0.000 1.078 459 A CA 0.233 52.272 52.037 0.003 0.000 0.770 459 A CB 0.076 19.060 19.000 -0.028 0.000 1.011 459 A HN 0.252 nan 8.150 nan 0.000 0.494 460 D N 1.845 122.213 120.400 -0.055 0.000 2.472 460 D HA 0.414 5.054 4.640 -0.000 0.000 0.248 460 D C 0.314 176.576 176.300 -0.063 0.000 1.271 460 D CA 0.457 54.394 54.000 -0.106 0.000 0.888 460 D CB 0.567 41.319 40.800 -0.081 0.000 1.337 460 D HN 0.646 nan 8.370 nan 0.000 0.526 461 G N 0.256 109.022 108.800 -0.056 0.000 3.194 461 G HA2 0.332 4.291 3.960 -0.000 0.000 0.160 461 G HA3 0.332 4.291 3.960 -0.000 0.000 0.160 461 G C 0.707 175.597 174.900 -0.016 0.000 1.267 461 G CA 0.073 45.174 45.100 0.003 0.000 0.962 461 G HN 0.204 nan 8.290 nan 0.000 0.612 462 T N -0.111 114.445 114.554 0.003 0.000 2.978 462 T HA 0.310 4.660 4.350 -0.000 0.000 0.248 462 T C 0.618 175.320 174.700 0.003 0.000 1.018 462 T CA 0.286 62.369 62.100 -0.028 0.000 1.026 462 T CB 0.295 69.097 68.868 -0.110 0.000 1.032 462 T HN 0.150 nan 8.240 nan 0.000 0.485 463 I N 3.781 124.370 120.570 0.032 0.000 2.359 463 I HA 0.345 4.514 4.170 -0.000 0.000 0.284 463 I C 0.188 176.333 176.117 0.047 0.000 1.018 463 I CA -1.008 60.317 61.300 0.042 0.000 1.173 463 I CB 1.149 39.178 38.000 0.050 0.000 1.326 463 I HN 0.123 nan 8.210 nan 0.000 0.462 464 R N 3.437 123.980 120.500 0.071 0.000 2.594 464 R HA 0.306 4.645 4.340 -0.000 0.000 0.272 464 R C 0.547 176.897 176.300 0.084 0.000 1.074 464 R CA -0.464 55.699 56.100 0.106 0.000 1.105 464 R CB 0.216 30.644 30.300 0.214 0.000 1.008 464 R HN 0.520 nan 8.270 nan 0.000 0.472 465 T N 1.568 116.171 114.554 0.081 0.000 2.594 465 T HA -0.323 4.027 4.350 -0.000 0.000 0.266 465 T C 1.953 176.689 174.700 0.060 0.000 1.070 465 T CA 2.649 64.783 62.100 0.058 0.000 1.166 465 T CB -0.567 68.334 68.868 0.055 0.000 0.862 465 T HN 0.858 nan 8.240 nan 0.000 0.436 466 S N 1.130 116.873 115.700 0.071 0.000 2.419 466 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 466 S C 1.956 176.593 174.600 0.061 0.000 1.019 466 S CA 1.586 59.825 58.200 0.065 0.000 0.982 466 S CB -0.412 62.822 63.200 0.057 0.000 0.789 466 S HN 0.659 nan 8.310 nan 0.000 0.490 467 E N 1.283 121.517 120.200 0.058 0.000 2.076 467 E HA 0.061 4.411 4.350 -0.000 0.000 0.190 467 E C 2.301 178.922 176.600 0.036 0.000 0.979 467 E CA 0.690 57.117 56.400 0.045 0.000 0.807 467 E CB -0.361 29.366 29.700 0.045 0.000 0.761 467 E HN 0.636 nan 8.360 nan 0.000 0.454 468 A N 1.699 124.541 122.820 0.036 0.000 1.851 468 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 468 A C 2.165 179.768 177.584 0.031 0.000 1.195 468 A CA 1.825 53.879 52.037 0.028 0.000 0.622 468 A CB -0.715 18.297 19.000 0.020 0.000 0.831 468 A HN 0.206 nan 8.150 nan 0.000 0.444 469 R N -0.946 119.580 120.500 0.043 0.000 2.113 469 R HA -0.216 4.124 4.340 -0.000 0.000 0.244 469 R C 2.038 178.376 176.300 0.063 0.000 1.142 469 R CA 2.045 58.180 56.100 0.058 0.000 0.953 469 R CB -0.531 29.813 30.300 0.075 0.000 0.860 469 R HN 0.441 nan 8.270 nan 0.000 0.438 470 L N 1.426 122.685 121.223 0.059 0.000 2.191 470 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 470 L C 1.480 178.340 176.870 -0.016 0.000 1.103 470 L CA 1.738 56.602 54.840 0.040 0.000 0.769 470 L CB -0.514 41.564 42.059 0.031 0.000 0.908 470 L HN 0.233 nan 8.230 nan 0.000 0.438 471 N N -0.868 117.828 118.700 -0.006 0.000 2.171 471 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 471 N C 1.822 177.321 175.510 -0.019 0.000 1.021 471 N CA 1.628 54.667 53.050 -0.019 0.000 0.854 471 N CB -0.262 38.222 38.487 -0.005 0.000 0.994 471 N HN 0.475 nan 8.380 nan 0.000 0.426 472 M N 1.128 120.727 119.600 -0.002 0.000 2.067 472 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 472 M C 1.708 177.995 176.300 -0.021 0.000 1.069 472 M CA 1.575 56.870 55.300 -0.009 0.000 1.117 472 M CB -0.136 32.472 32.600 0.012 0.000 1.334 472 M HN 0.055 nan 8.290 nan 0.000 0.407 473 Q N 0.058 119.872 119.800 0.023 0.000 2.181 473 Q HA -0.190 4.150 4.340 -0.000 0.000 0.205 473 Q C 1.827 177.858 176.000 0.051 0.000 0.980 473 Q CA 1.494 57.344 55.803 0.078 0.000 0.862 473 Q CB -0.143 28.732 28.738 0.228 0.000 0.905 473 Q HN 0.578 nan 8.270 nan 0.000 0.429 474 K N -0.460 119.913 120.400 -0.046 0.000 2.305 474 K HA 0.012 4.332 4.320 -0.000 0.000 0.199 474 K C 1.881 178.493 176.600 0.021 0.000 1.047 474 K CA 0.980 57.215 56.287 -0.086 0.000 0.976 474 K CB 0.322 32.710 32.500 -0.186 0.000 0.765 474 K HN 0.124 nan 8.250 nan 0.000 0.474 475 T N 1.292 115.857 114.554 0.020 0.000 2.851 475 T HA -0.021 4.329 4.350 -0.000 0.000 0.262 475 T C 1.812 176.582 174.700 0.117 0.000 1.043 475 T CA 0.715 62.871 62.100 0.093 0.000 1.140 475 T CB 0.057 68.877 68.868 -0.079 0.000 0.872 475 T HN 0.036 nan 8.240 nan 0.000 0.446 476 M N 1.244 120.799 119.600 -0.075 0.000 2.086 476 M HA -0.057 4.423 4.480 -0.000 0.000 0.261 476 M C 2.359 178.636 176.300 -0.038 0.000 1.067 476 M CA 1.486 56.627 55.300 -0.265 0.000 1.116 476 M CB -1.303 30.774 32.600 -0.871 0.000 1.348 476 M HN 0.161 nan 8.290 nan 0.000 0.407 477 Q N 0.139 119.994 119.800 0.092 0.000 2.364 477 Q HA -0.064 4.276 4.340 -0.000 0.000 0.209 477 Q C 1.569 177.691 176.000 0.204 0.000 0.977 477 Q CA 1.601 57.583 55.803 0.298 0.000 0.885 477 Q CB 0.057 28.985 28.738 0.317 0.000 0.941 477 Q HN 0.508 nan 8.270 nan 0.000 0.464 478 S N -1.841 113.937 115.700 0.130 0.000 2.564 478 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 478 S C 0.662 175.152 174.600 -0.183 0.000 1.067 478 S CA -0.131 58.048 58.200 -0.035 0.000 0.908 478 S CB 0.115 63.243 63.200 -0.120 0.000 0.809 478 S HN 0.490 nan 8.310 nan 0.000 0.491 479 H N 0.961 120.052 119.070 0.036 0.000 2.487 479 H HA 0.621 5.177 4.556 -0.000 0.000 0.290 479 H C 0.137 175.490 175.328 0.043 0.000 1.081 479 H CA 0.295 56.355 56.048 0.020 0.000 1.116 479 H CB 0.442 30.192 29.762 -0.019 0.000 1.560 479 H HN 0.340 nan 8.280 nan 0.000 0.548 480 A N 0.715 123.649 122.820 0.191 0.000 3.189 480 A HA 0.540 4.860 4.320 -0.000 0.000 0.213 480 A C 0.121 177.933 177.584 0.380 0.000 1.205 480 A CA -0.007 52.171 52.037 0.235 0.000 1.238 480 A CB -0.608 18.529 19.000 0.228 0.000 1.268 480 A HN 0.319 nan 8.150 nan 0.000 0.785 481 A N -0.324 122.635 122.820 0.232 0.000 2.951 481 A HA 0.762 5.082 4.320 -0.000 0.000 0.239 481 A C 1.502 178.931 177.584 -0.258 0.000 1.623 481 A CA 0.437 52.560 52.037 0.142 0.000 0.868 481 A CB -0.444 18.575 19.000 0.031 0.000 1.712 481 A HN 0.911 nan 8.150 nan 0.000 0.558 482 V N -1.077 118.330 119.914 -0.845 0.000 2.252 482 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 482 V C 0.559 176.246 176.094 -0.679 0.000 1.056 482 V CA 1.584 63.309 62.300 -0.959 0.000 1.022 482 V CB -0.966 30.261 31.823 -0.993 0.000 0.641 482 V HN 0.481 nan 8.190 nan 0.000 0.445 483 F N -0.062 119.749 119.950 -0.231 0.000 2.420 483 F HA 0.643 5.170 4.527 -0.000 0.000 0.342 483 F C 0.543 176.266 175.800 -0.129 0.000 1.113 483 F CA -0.697 57.207 58.000 -0.160 0.000 1.059 483 F CB 1.002 39.922 39.000 -0.133 0.000 1.128 483 F HN -0.082 nan 8.300 nan 0.000 0.475 484 R N 0.940 121.466 120.500 0.044 0.000 2.888 484 R HA 0.873 5.213 4.340 -0.000 0.000 0.266 484 R C -1.137 175.163 176.300 -0.000 0.000 1.020 484 R CA -1.055 55.038 56.100 -0.011 0.000 0.963 484 R CB 2.457 32.696 30.300 -0.102 0.000 1.197 484 R HN 0.579 nan 8.270 nan 0.000 0.481 485 T N -0.837 113.722 114.554 0.010 0.000 2.923 485 T HA 0.218 4.568 4.350 -0.000 0.000 0.311 485 T C 0.931 175.656 174.700 0.041 0.000 1.183 485 T CA -0.492 61.623 62.100 0.024 0.000 1.020 485 T CB 1.870 70.741 68.868 0.006 0.000 1.165 485 T HN 0.747 nan 8.240 nan 0.000 0.482 486 G N 1.494 110.336 108.800 0.070 0.000 2.476 486 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 486 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 486 G C 1.806 176.736 174.900 0.049 0.000 1.164 486 G CA 1.626 46.773 45.100 0.077 0.000 0.768 486 G HN 0.819 nan 8.290 nan 0.000 0.560 487 S N 0.907 116.631 115.700 0.040 0.000 2.338 487 S HA -0.039 4.431 4.470 -0.000 0.000 0.218 487 S C 2.375 177.005 174.600 0.049 0.000 1.032 487 S CA 1.235 59.456 58.200 0.035 0.000 0.999 487 S CB -0.538 62.676 63.200 0.024 0.000 0.905 487 S HN 0.358 nan 8.310 nan 0.000 0.439 488 I N 1.748 122.348 120.570 0.050 0.000 2.264 488 I HA -0.159 4.011 4.170 -0.000 0.000 0.248 488 I C 2.527 178.737 176.117 0.156 0.000 1.111 488 I CA 1.262 62.614 61.300 0.087 0.000 1.382 488 I CB -0.618 37.383 38.000 0.001 0.000 1.060 488 I HN 0.267 nan 8.210 nan 0.000 0.418 489 L N 0.042 121.310 121.223 0.075 0.000 2.093 489 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 489 L C 2.682 179.530 176.870 -0.037 0.000 1.085 489 L CA 1.328 56.190 54.840 0.037 0.000 0.755 489 L CB -0.483 41.584 42.059 0.014 0.000 0.904 489 L HN 0.295 nan 8.230 nan 0.000 0.435 490 Q N -0.300 119.486 119.800 -0.023 0.000 2.084 490 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 490 Q C 2.135 178.088 176.000 -0.077 0.000 0.978 490 Q CA 1.909 57.676 55.803 -0.061 0.000 0.844 490 Q CB -0.011 28.721 28.738 -0.009 0.000 0.898 490 Q HN 0.448 nan 8.270 nan 0.000 0.426 491 E N -0.429 119.760 120.200 -0.017 0.000 2.051 491 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 491 E C 1.964 178.427 176.600 -0.228 0.000 0.991 491 E CA 1.166 57.538 56.400 -0.047 0.000 0.799 491 E CB -0.306 29.442 29.700 0.080 0.000 0.748 491 E HN 0.414 nan 8.360 nan 0.000 0.449 492 G N 0.490 109.094 108.800 -0.327 0.000 2.475 492 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 492 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 492 G C 1.640 176.343 174.900 -0.327 0.000 1.125 492 G CA 1.051 45.824 45.100 -0.544 0.000 0.755 492 G HN 0.409 nan 8.290 nan 0.000 0.565 493 C N 0.074 119.178 119.300 -0.326 0.000 2.453 493 C HA 0.050 4.510 4.460 -0.000 0.000 0.277 493 C C 2.791 177.697 174.990 -0.141 0.000 1.262 493 C CA 0.809 59.561 59.018 -0.444 0.000 1.718 493 C CB -0.442 26.767 27.740 -0.885 0.000 2.031 493 C HN 0.429 nan 8.230 nan 0.000 0.480 494 E N 1.545 121.681 120.200 -0.106 0.000 2.038 494 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 494 E C 2.066 178.647 176.600 -0.032 0.000 1.000 494 E CA 1.196 57.583 56.400 -0.023 0.000 0.803 494 E CB -0.536 29.149 29.700 -0.024 0.000 0.750 494 E HN 0.621 nan 8.360 nan 0.000 0.448 495 K N 0.489 120.827 120.400 -0.104 0.000 2.020 495 K HA -0.131 4.189 4.320 -0.000 0.000 0.212 495 K C 2.411 178.982 176.600 -0.049 0.000 1.050 495 K CA 1.092 57.319 56.287 -0.100 0.000 0.929 495 K CB -0.355 32.018 32.500 -0.211 0.000 0.714 495 K HN 0.093 nan 8.250 nan 0.000 0.443 496 L N 0.815 122.005 121.223 -0.056 0.000 1.994 496 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 496 L C 2.459 179.383 176.870 0.090 0.000 1.071 496 L CA 1.313 56.161 54.840 0.013 0.000 0.745 496 L CB -0.421 41.645 42.059 0.010 0.000 0.892 496 L HN 0.203 nan 8.230 nan 0.000 0.431 497 S N -0.627 115.142 115.700 0.116 0.000 2.380 497 S HA -0.320 4.150 4.470 -0.000 0.000 0.229 497 S C 1.751 176.429 174.600 0.131 0.000 1.043 497 S CA 1.766 60.048 58.200 0.136 0.000 1.038 497 S CB -0.274 63.014 63.200 0.148 0.000 0.872 497 S HN 0.385 nan 8.310 nan 0.000 0.456 498 Q N 1.227 121.079 119.800 0.086 0.000 2.050 498 Q HA 0.012 4.352 4.340 -0.000 0.000 0.202 498 Q C 1.902 177.947 176.000 0.075 0.000 0.980 498 Q CA 1.540 57.385 55.803 0.070 0.000 0.840 498 Q CB -0.486 28.277 28.738 0.042 0.000 0.898 498 Q HN 0.596 nan 8.270 nan 0.000 0.424 499 I N -0.390 120.221 120.570 0.069 0.000 2.163 499 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 499 I C 2.030 178.187 176.117 0.066 0.000 1.085 499 I CA 1.490 62.825 61.300 0.058 0.000 1.347 499 I CB -0.469 37.559 38.000 0.046 0.000 1.044 499 I HN 0.296 nan 8.210 nan 0.000 0.408 500 Y N 1.870 122.168 120.300 -0.002 0.000 2.207 500 Y HA -0.247 4.303 4.550 -0.000 0.000 0.287 500 Y C 2.702 178.590 175.900 -0.018 0.000 1.156 500 Y CA 1.575 59.669 58.100 -0.010 0.000 1.182 500 Y CB -0.169 38.285 38.460 -0.010 0.000 0.979 500 Y HN -0.004 nan 8.280 nan 0.000 0.521 501 R N -0.082 120.475 120.500 0.095 0.000 2.057 501 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 501 R C 1.731 177.983 176.300 -0.081 0.000 1.136 501 R CA 1.444 57.551 56.100 0.012 0.000 0.952 501 R CB -0.464 29.870 30.300 0.057 0.000 0.848 501 R HN 0.354 nan 8.270 nan 0.000 0.430 502 D N 1.207 121.597 120.400 -0.017 0.000 2.357 502 D HA -0.151 4.489 4.640 -0.000 0.000 0.216 502 D C 1.684 177.952 176.300 -0.054 0.000 0.973 502 D CA 0.834 54.845 54.000 0.019 0.000 0.912 502 D CB -0.038 40.814 40.800 0.087 0.000 0.900 502 D HN 0.273 nan 8.370 nan 0.000 0.501 503 L N 0.400 121.538 121.223 -0.141 0.000 2.450 503 L HA -0.120 4.219 4.340 -0.000 0.000 0.224 503 L C 2.358 179.122 176.870 -0.177 0.000 1.149 503 L CA 0.479 55.216 54.840 -0.172 0.000 0.816 503 L CB -0.356 41.519 42.059 -0.307 0.000 0.932 503 L HN -0.022 nan 8.230 nan 0.000 0.449 504 A N -1.461 121.213 122.820 -0.243 0.000 2.167 504 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 504 A C 1.604 179.031 177.584 -0.262 0.000 1.151 504 A CA 0.705 52.578 52.037 -0.272 0.000 0.735 504 A CB -0.427 18.369 19.000 -0.341 0.000 0.802 504 A HN 0.404 nan 8.150 nan 0.000 0.467 505 H N -0.606 118.434 119.070 -0.051 0.000 2.517 505 H HA 0.300 4.856 4.556 -0.000 0.000 0.282 505 H C 0.085 175.386 175.328 -0.044 0.000 1.023 505 H CA -0.364 55.660 56.048 -0.041 0.000 1.169 505 H CB -0.235 29.509 29.762 -0.030 0.000 1.454 505 H HN 0.316 nan 8.280 nan 0.000 0.556 506 L N 2.454 123.694 121.223 0.027 0.000 2.525 506 L HA -0.044 4.296 4.340 -0.000 0.000 0.278 506 L C 0.642 177.498 176.870 -0.023 0.000 1.218 506 L CA 0.611 55.450 54.840 -0.001 0.000 0.878 506 L CB 0.401 42.441 42.059 -0.032 0.000 1.127 506 L HN 0.226 nan 8.230 nan 0.000 0.492 507 K N 1.359 121.735 120.400 -0.041 0.000 2.426 507 K HA 0.610 4.930 4.320 -0.000 0.000 0.254 507 K C -0.690 175.810 176.600 -0.167 0.000 0.936 507 K CA -0.771 55.433 56.287 -0.139 0.000 0.801 507 K CB 1.893 34.280 32.500 -0.188 0.000 1.139 507 K HN 0.544 nan 8.250 nan 0.000 0.424 508 T N -0.933 113.482 114.554 -0.233 0.000 2.940 508 T HA 0.537 4.887 4.350 -0.000 0.000 0.288 508 T C -0.013 174.488 174.700 -0.332 0.000 1.045 508 T CA -0.661 61.367 62.100 -0.121 0.000 1.018 508 T CB 0.644 69.482 68.868 -0.051 0.000 1.151 508 T HN 0.496 nan 8.240 nan 0.000 0.529 509 F N -1.039 118.897 119.950 -0.023 0.000 2.581 509 F HA 0.359 4.886 4.527 -0.000 0.000 0.278 509 F C 1.040 176.820 175.800 -0.034 0.000 1.000 509 F CA -0.504 57.487 58.000 -0.016 0.000 1.230 509 F CB 0.006 39.002 39.000 -0.006 0.000 1.008 509 F HN 0.488 nan 8.300 nan 0.000 0.695 510 D N 1.915 122.409 120.400 0.157 0.000 2.382 510 D HA 0.035 4.675 4.640 -0.000 0.000 0.259 510 D C 0.778 177.040 176.300 -0.063 0.000 1.224 510 D CA 0.288 54.316 54.000 0.046 0.000 0.894 510 D CB 0.741 41.560 40.800 0.031 0.000 1.127 510 D HN -0.030 nan 8.370 nan 0.000 0.487 511 R N 2.700 123.151 120.500 -0.083 0.000 2.359 511 R HA 0.241 4.581 4.340 -0.000 0.000 0.231 511 R C 0.892 177.065 176.300 -0.212 0.000 0.913 511 R CA -0.346 55.611 56.100 -0.238 0.000 1.075 511 R CB 0.252 30.483 30.300 -0.115 0.000 1.087 511 R HN 0.357 nan 8.270 nan 0.000 0.515 512 G N 0.275 109.013 108.800 -0.103 0.000 2.557 512 G HA2 0.313 4.273 3.960 -0.000 0.000 0.292 512 G HA3 0.313 4.273 3.960 -0.000 0.000 0.292 512 G C 0.348 175.214 174.900 -0.057 0.000 1.237 512 G CA -0.400 44.666 45.100 -0.056 0.000 0.978 512 G HN 0.134 nan 8.290 nan 0.000 0.498 513 I N -1.280 119.283 120.570 -0.011 0.000 4.244 513 I HA 0.255 4.425 4.170 -0.000 0.000 0.318 513 I C 0.611 176.746 176.117 0.030 0.000 1.282 513 I CA 0.053 61.362 61.300 0.015 0.000 1.276 513 I CB 0.788 38.818 38.000 0.050 0.000 1.183 513 I HN 0.127 nan 8.210 nan 0.000 0.431 514 V N 2.165 122.114 119.914 0.058 0.000 2.508 514 V HA 0.029 4.148 4.120 -0.000 0.000 0.281 514 V C -0.289 175.919 176.094 0.189 0.000 1.041 514 V CA -0.213 62.155 62.300 0.113 0.000 1.016 514 V CB -0.354 31.547 31.823 0.129 0.000 0.984 514 V HN 0.584 nan 8.190 nan 0.000 0.478 515 W N 4.093 125.390 121.300 -0.005 0.000 7.168 515 W HA -0.237 4.423 4.660 -0.000 0.000 0.415 515 W C 0.969 177.476 176.519 -0.020 0.000 1.614 515 W CA 0.654 57.994 57.345 -0.009 0.000 1.165 515 W CB -0.697 28.763 29.460 -0.000 0.000 2.824 515 W HN 0.754 nan 8.180 nan 0.000 1.619 516 N N 0.922 119.645 118.700 0.037 0.000 2.719 516 N HA 0.077 4.817 4.740 -0.000 0.000 0.243 516 N C 1.260 176.741 175.510 -0.048 0.000 1.104 516 N CA 0.831 53.887 53.050 0.009 0.000 0.981 516 N CB 0.545 39.010 38.487 -0.037 0.000 1.290 516 N HN 0.214 nan 8.380 nan 0.000 0.513 517 T N -0.982 113.581 114.554 0.015 0.000 3.163 517 T HA -0.076 4.274 4.350 -0.000 0.000 0.260 517 T C 1.162 175.841 174.700 -0.034 0.000 1.156 517 T CA 0.472 62.554 62.100 -0.029 0.000 1.072 517 T CB 0.145 69.054 68.868 0.069 0.000 0.937 517 T HN 0.241 nan 8.240 nan 0.000 0.528 518 D N 0.940 121.331 120.400 -0.015 0.000 2.103 518 D HA -0.039 4.601 4.640 -0.000 0.000 0.199 518 D C 1.848 178.122 176.300 -0.043 0.000 0.978 518 D CA 0.552 54.552 54.000 -0.001 0.000 0.829 518 D CB -0.395 40.428 40.800 0.038 0.000 0.981 518 D HN 0.316 nan 8.370 nan 0.000 0.464 519 L N 0.466 121.640 121.223 -0.081 0.000 1.961 519 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 519 L C 2.446 179.200 176.870 -0.193 0.000 1.072 519 L CA 1.562 56.327 54.840 -0.124 0.000 0.749 519 L CB -1.052 40.925 42.059 -0.137 0.000 0.889 519 L HN 0.000 nan 8.230 nan 0.000 0.432 520 V N 0.351 120.097 119.914 -0.280 0.000 2.277 520 V HA -0.392 3.728 4.120 -0.000 0.000 0.253 520 V C 2.581 178.476 176.094 -0.333 0.000 1.067 520 V CA 2.365 64.379 62.300 -0.477 0.000 1.047 520 V CB -0.892 30.636 31.823 -0.493 0.000 0.649 520 V HN 0.565 nan 8.190 nan 0.000 0.447 521 E N -0.595 119.505 120.200 -0.167 0.000 2.265 521 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 521 E C 2.186 178.756 176.600 -0.050 0.000 0.996 521 E CA 1.545 57.902 56.400 -0.071 0.000 0.832 521 E CB -0.191 29.496 29.700 -0.022 0.000 0.756 521 E HN 0.650 nan 8.360 nan 0.000 0.491 522 T N 1.059 115.567 114.554 -0.077 0.000 2.978 522 T HA 0.012 4.362 4.350 -0.000 0.000 0.262 522 T C 1.936 176.604 174.700 -0.054 0.000 1.063 522 T CA 0.360 62.429 62.100 -0.052 0.000 1.140 522 T CB 0.031 68.866 68.868 -0.055 0.000 0.886 522 T HN 0.079 nan 8.240 nan 0.000 0.470 523 L N 0.831 121.990 121.223 -0.107 0.000 2.093 523 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 523 L C 2.607 179.515 176.870 0.062 0.000 1.085 523 L CA 1.313 56.123 54.840 -0.050 0.000 0.755 523 L CB -0.493 41.463 42.059 -0.170 0.000 0.904 523 L HN 0.311 nan 8.230 nan 0.000 0.435 524 E N -0.181 120.047 120.200 0.048 0.000 2.152 524 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 524 E C 2.070 178.721 176.600 0.084 0.000 0.983 524 E CA 0.691 57.171 56.400 0.133 0.000 0.818 524 E CB -0.075 29.703 29.700 0.130 0.000 0.758 524 E HN 0.238 nan 8.360 nan 0.000 0.467 525 L N 1.644 122.895 121.223 0.046 0.000 2.017 525 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 525 L C 2.110 179.003 176.870 0.038 0.000 1.073 525 L CA 1.836 56.699 54.840 0.039 0.000 0.745 525 L CB -0.455 41.615 42.059 0.018 0.000 0.894 525 L HN 0.061 nan 8.230 nan 0.000 0.432 526 Q N -0.663 119.154 119.800 0.028 0.000 2.112 526 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 526 Q C 1.962 178.005 176.000 0.072 0.000 0.987 526 Q CA 1.710 57.535 55.803 0.038 0.000 0.858 526 Q CB -0.375 28.378 28.738 0.025 0.000 0.905 526 Q HN 0.597 nan 8.270 nan 0.000 0.420 527 N N 0.678 119.418 118.700 0.067 0.000 2.080 527 N HA -0.109 4.630 4.740 -0.000 0.000 0.189 527 N C 1.915 177.429 175.510 0.005 0.000 1.036 527 N CA 1.047 54.126 53.050 0.048 0.000 0.846 527 N CB -0.305 38.231 38.487 0.082 0.000 1.015 527 N HN 0.170 nan 8.380 nan 0.000 0.423 528 L N 0.450 121.687 121.223 0.024 0.000 2.046 528 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 528 L C 2.418 179.267 176.870 -0.036 0.000 1.077 528 L CA 0.898 55.733 54.840 -0.007 0.000 0.747 528 L CB -0.332 41.755 42.059 0.047 0.000 0.896 528 L HN 0.122 nan 8.230 nan 0.000 0.432 529 M N -0.612 119.005 119.600 0.028 0.000 2.080 529 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 529 M C 2.418 178.735 176.300 0.027 0.000 1.068 529 M CA 1.858 57.201 55.300 0.073 0.000 1.109 529 M CB -0.999 31.718 32.600 0.194 0.000 1.342 529 M HN 0.235 nan 8.290 nan 0.000 0.405 530 L N -0.699 120.538 121.223 0.024 0.000 1.990 530 L HA -0.331 4.008 4.340 -0.000 0.000 0.213 530 L C 2.677 179.453 176.870 -0.157 0.000 1.072 530 L CA 1.506 56.306 54.840 -0.066 0.000 0.755 530 L CB -0.764 41.270 42.059 -0.042 0.000 0.889 530 L HN 0.352 nan 8.230 nan 0.000 0.432 531 C N -0.501 118.648 119.300 -0.250 0.000 2.413 531 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 531 C C 3.122 177.888 174.990 -0.374 0.000 1.236 531 C CA 0.711 59.433 59.018 -0.493 0.000 1.735 531 C CB -1.222 25.884 27.740 -1.056 0.000 2.031 531 C HN 0.657 nan 8.230 nan 0.000 0.474 532 A N 0.383 123.058 122.820 -0.243 0.000 1.908 532 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 532 A C 2.080 179.637 177.584 -0.045 0.000 1.181 532 A CA 1.695 53.663 52.037 -0.114 0.000 0.627 532 A CB -0.642 18.311 19.000 -0.079 0.000 0.818 532 A HN 0.615 nan 8.150 nan 0.000 0.445 533 L N -0.902 120.301 121.223 -0.034 0.000 1.989 533 L HA -0.300 4.040 4.340 -0.000 0.000 0.211 533 L C 2.892 179.828 176.870 0.110 0.000 1.071 533 L CA 2.013 56.886 54.840 0.056 0.000 0.749 533 L CB -0.707 41.309 42.059 -0.072 0.000 0.890 533 L HN 0.445 nan 8.230 nan 0.000 0.431 534 Q N -0.882 118.915 119.800 -0.006 0.000 2.181 534 Q HA -0.185 4.155 4.340 -0.000 0.000 0.205 534 Q C 2.156 178.185 176.000 0.049 0.000 0.980 534 Q CA 1.964 57.771 55.803 0.006 0.000 0.862 534 Q CB -0.264 28.437 28.738 -0.061 0.000 0.905 534 Q HN 0.546 nan 8.270 nan 0.000 0.429 535 T N 0.982 115.559 114.554 0.039 0.000 2.668 535 T HA -0.104 4.246 4.350 -0.000 0.000 0.262 535 T C 1.787 176.526 174.700 0.065 0.000 1.045 535 T CA 0.924 63.070 62.100 0.077 0.000 1.152 535 T CB -0.173 68.772 68.868 0.130 0.000 0.864 535 T HN 0.261 nan 8.240 nan 0.000 0.419 536 I N -0.427 120.170 120.570 0.046 0.000 2.439 536 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 536 I C 1.906 177.983 176.117 -0.068 0.000 1.139 536 I CA 1.255 62.546 61.300 -0.015 0.000 1.438 536 I CB -0.002 37.949 38.000 -0.083 0.000 1.085 536 I HN 0.240 nan 8.210 nan 0.000 0.427 537 Y N 0.506 120.799 120.300 -0.012 0.000 2.314 537 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 537 Y C 2.488 178.392 175.900 0.006 0.000 1.129 537 Y CA 1.467 59.565 58.100 -0.004 0.000 1.201 537 Y CB -0.659 37.790 38.460 -0.018 0.000 0.999 537 Y HN 0.186 nan 8.280 nan 0.000 0.541 538 G N -0.709 108.168 108.800 0.128 0.000 2.408 538 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 538 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 538 G C 1.871 176.745 174.900 -0.045 0.000 1.150 538 G CA 0.804 45.941 45.100 0.061 0.000 0.776 538 G HN 0.441 nan 8.290 nan 0.000 0.542 539 A N 0.537 123.325 122.820 -0.054 0.000 1.898 539 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 539 A C 2.188 179.784 177.584 0.021 0.000 1.181 539 A CA 1.950 53.974 52.037 -0.022 0.000 0.620 539 A CB -0.370 18.708 19.000 0.131 0.000 0.819 539 A HN 0.317 nan 8.150 nan 0.000 0.442 540 E N 0.404 120.601 120.200 -0.006 0.000 2.077 540 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 540 E C 2.187 178.773 176.600 -0.022 0.000 0.989 540 E CA 1.308 57.698 56.400 -0.017 0.000 0.800 540 E CB -0.310 29.355 29.700 -0.059 0.000 0.746 540 E HN 0.466 nan 8.360 nan 0.000 0.452 541 A N 1.282 124.113 122.820 0.018 0.000 1.930 541 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 541 A C 1.873 179.349 177.584 -0.181 0.000 1.175 541 A CA 0.652 52.740 52.037 0.084 0.000 0.627 541 A CB -0.337 18.828 19.000 0.275 0.000 0.815 541 A HN 0.107 nan 8.150 nan 0.000 0.443 542 R N 1.054 121.270 120.500 -0.473 0.000 2.309 542 R HA 0.168 4.508 4.340 -0.000 0.000 0.331 542 R C -0.990 174.677 176.300 -1.055 0.000 1.116 542 R CA -0.007 55.327 56.100 -1.278 0.000 0.970 542 R CB -0.091 29.695 30.300 -0.856 0.000 1.024 542 R HN 0.219 nan 8.270 nan 0.000 0.472 543 K N 4.807 124.322 120.400 -1.475 0.000 2.265 543 K HA 0.088 4.408 4.320 -0.000 0.000 0.242 543 K C -0.979 175.073 176.600 -0.914 0.000 1.137 543 K CA -0.234 55.347 56.287 -1.176 0.000 1.082 543 K CB 0.474 32.118 32.500 -1.427 0.000 1.731 543 K HN 0.671 nan 8.250 nan 0.000 0.392 544 E N -1.443 118.459 120.200 -0.496 0.000 2.417 544 E HA 0.268 4.618 4.350 -0.000 0.000 0.280 544 E C -1.331 175.289 176.600 0.032 0.000 1.112 544 E CA -1.026 55.288 56.400 -0.143 0.000 0.863 544 E CB 0.767 30.377 29.700 -0.150 0.000 1.346 544 E HN -0.058 nan 8.360 nan 0.000 0.443 545 S N 0.451 116.219 115.700 0.114 0.000 2.498 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.324 545 S C -0.902 173.814 174.600 0.193 0.000 1.071 545 S CA -0.702 57.582 58.200 0.140 0.000 1.113 545 S CB 0.462 63.736 63.200 0.124 0.000 0.976 545 S HN 0.418 nan 8.310 nan 0.000 0.462 546 R N 2.111 122.767 120.500 0.259 0.000 2.512 546 R HA 0.520 4.860 4.340 -0.000 0.000 0.291 546 R C 0.606 177.131 176.300 0.374 0.000 1.097 546 R CA 0.324 56.608 56.100 0.308 0.000 0.940 546 R CB 1.000 31.511 30.300 0.353 0.000 1.198 546 R HN 0.894 nan 8.270 nan 0.000 0.429 547 G N 2.437 111.394 108.800 0.263 0.000 2.556 547 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.283 547 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.283 547 G C 0.564 175.596 174.900 0.219 0.000 1.177 547 G CA 0.307 45.550 45.100 0.237 0.000 0.978 547 G HN 0.781 nan 8.290 nan 0.000 0.554 548 A N -0.057 122.933 122.820 0.284 0.000 2.252 548 A HA 0.412 4.732 4.320 -0.000 0.000 0.207 548 A C 0.917 178.617 177.584 0.192 0.000 1.194 548 A CA 1.755 53.922 52.037 0.216 0.000 0.809 548 A CB -0.372 18.789 19.000 0.269 0.000 0.814 548 A HN 1.336 nan 8.150 nan 0.000 0.482 549 H N 0.033 119.159 119.070 0.093 0.000 2.691 549 H HA 0.623 5.179 4.556 -0.000 0.000 0.281 549 H C -0.380 174.941 175.328 -0.012 0.000 1.121 549 H CA -0.112 55.911 56.048 -0.042 0.000 1.254 549 H CB 0.461 30.078 29.762 -0.242 0.000 1.390 549 H HN 0.177 nan 8.280 nan 0.000 0.491 550 A N 5.902 128.561 122.820 -0.270 0.000 2.287 550 A HA 0.542 4.862 4.320 -0.000 0.000 0.317 550 A C -0.385 177.094 177.584 -0.174 0.000 1.220 550 A CA -0.951 50.999 52.037 -0.145 0.000 0.835 550 A CB 0.551 19.505 19.000 -0.077 0.000 1.180 550 A HN 0.690 nan 8.150 nan 0.000 0.500 551 R N 2.724 123.163 120.500 -0.101 0.000 2.246 551 R HA 0.219 4.559 4.340 -0.000 0.000 0.332 551 R C -0.160 176.178 176.300 0.064 0.000 0.974 551 R CA -0.310 55.772 56.100 -0.029 0.000 0.837 551 R CB 1.409 31.733 30.300 0.039 0.000 1.145 551 R HN 0.884 nan 8.270 nan 0.000 0.467 552 E N 1.110 121.341 120.200 0.052 0.000 2.338 552 E HA -0.156 4.194 4.350 -0.000 0.000 0.197 552 E C 0.404 176.983 176.600 -0.036 0.000 1.007 552 E CA 1.038 57.442 56.400 0.008 0.000 0.849 552 E CB 0.301 29.969 29.700 -0.053 0.000 0.774 552 E HN 0.544 nan 8.360 nan 0.000 0.506 553 D N -0.818 119.561 120.400 -0.035 0.000 2.339 553 D HA -0.096 4.544 4.640 -0.000 0.000 0.217 553 D C -0.332 175.678 176.300 -0.483 0.000 1.050 553 D CA 0.122 54.001 54.000 -0.202 0.000 0.856 553 D CB -0.043 40.661 40.800 -0.160 0.000 0.922 553 D HN 0.191 nan 8.370 nan 0.000 0.518 554 Y N 0.327 120.620 120.300 -0.012 0.000 2.532 554 Y HA 0.236 4.786 4.550 -0.000 0.000 0.318 554 Y C 0.445 176.351 175.900 0.010 0.000 1.138 554 Y CA -0.719 57.380 58.100 -0.001 0.000 1.306 554 Y CB 0.978 39.423 38.460 -0.025 0.000 1.106 554 Y HN -0.276 nan 8.280 nan 0.000 0.588 555 K N 1.763 122.227 120.400 0.105 0.000 2.522 555 K HA 0.257 4.577 4.320 -0.000 0.000 0.194 555 K C -0.146 176.521 176.600 0.112 0.000 1.026 555 K CA 0.431 56.776 56.287 0.097 0.000 1.119 555 K CB 0.467 33.001 32.500 0.058 0.000 0.856 555 K HN 0.437 nan 8.250 nan 0.000 0.513 556 L N 0.214 121.518 121.223 0.135 0.000 2.323 556 L HA 0.443 4.782 4.340 -0.000 0.000 0.265 556 L C -0.025 176.937 176.870 0.154 0.000 1.012 556 L CA -1.224 53.697 54.840 0.135 0.000 0.820 556 L CB 1.794 43.929 42.059 0.128 0.000 1.334 556 L HN -0.060 nan 8.230 nan 0.000 0.427 557 R N 1.981 122.575 120.500 0.157 0.000 2.198 557 R HA 0.462 4.802 4.340 -0.000 0.000 0.339 557 R C -1.002 175.413 176.300 0.193 0.000 1.020 557 R CA -0.433 55.776 56.100 0.180 0.000 0.864 557 R CB 0.338 30.746 30.300 0.180 0.000 1.105 557 R HN 0.537 nan 8.270 nan 0.000 0.463 558 I N 5.183 125.894 120.570 0.235 0.000 2.291 558 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 558 I C -0.147 176.119 176.117 0.249 0.000 1.064 558 I CA -0.287 61.164 61.300 0.251 0.000 1.269 558 I CB 0.810 39.009 38.000 0.332 0.000 1.418 558 I HN 0.488 nan 8.210 nan 0.000 0.485 559 D N 4.849 125.345 120.400 0.160 0.000 2.487 559 D HA 0.102 4.742 4.640 -0.000 0.000 0.262 559 D C 1.228 177.412 176.300 -0.193 0.000 1.130 559 D CA -0.439 53.590 54.000 0.049 0.000 1.038 559 D CB 0.818 41.725 40.800 0.180 0.000 1.142 559 D HN 0.513 nan 8.370 nan 0.000 0.575 560 E N -0.035 119.799 120.200 -0.610 0.000 2.418 560 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 560 E C -0.030 176.256 176.600 -0.524 0.000 1.026 560 E CA 0.780 56.745 56.400 -0.725 0.000 0.862 560 E CB 0.126 29.351 29.700 -0.792 0.000 0.799 560 E HN 0.342 nan 8.360 nan 0.000 0.518 561 F N 0.261 120.064 119.950 -0.246 0.000 2.629 561 F HA 0.259 4.786 4.527 -0.000 0.000 0.316 561 F C -0.228 175.355 175.800 -0.362 0.000 1.081 561 F CA -1.343 56.420 58.000 -0.394 0.000 0.954 561 F CB 2.010 40.530 39.000 -0.800 0.000 1.337 561 F HN -0.253 nan 8.300 nan 0.000 0.474 562 D N 1.627 121.994 120.400 -0.055 0.000 2.456 562 D HA 0.107 4.747 4.640 -0.000 0.000 0.219 562 D C -0.474 175.744 176.300 -0.136 0.000 1.126 562 D CA -0.097 53.879 54.000 -0.041 0.000 0.890 562 D CB 0.423 41.224 40.800 0.001 0.000 1.025 562 D HN 0.443 nan 8.370 nan 0.000 0.511 563 Y N 1.637 121.929 120.300 -0.013 0.000 2.506 563 Y HA -0.020 4.530 4.550 -0.000 0.000 0.333 563 Y C 2.155 178.012 175.900 -0.072 0.000 1.177 563 Y CA -0.105 57.946 58.100 -0.081 0.000 1.292 563 Y CB 0.056 38.422 38.460 -0.157 0.000 1.124 563 Y HN 0.333 nan 8.280 nan 0.000 0.507 564 S N -1.605 114.126 115.700 0.051 0.000 2.524 564 S HA 0.254 4.724 4.470 -0.000 0.000 0.215 564 S C 0.360 174.963 174.600 0.005 0.000 0.986 564 S CA -0.307 57.913 58.200 0.034 0.000 0.911 564 S CB 0.304 63.526 63.200 0.037 0.000 0.805 564 S HN 0.193 nan 8.310 nan 0.000 0.501 565 K N 0.924 121.311 120.400 -0.022 0.000 2.480 565 K HA 0.546 4.866 4.320 -0.000 0.000 0.258 565 K C -3.242 173.311 176.600 -0.078 0.000 0.990 565 K CA -2.469 53.794 56.287 -0.040 0.000 0.857 565 K CB 1.084 33.562 32.500 -0.036 0.000 1.384 565 K HN -0.101 nan 8.250 nan 0.000 0.446 566 P HA 0.004 nan 4.420 nan 0.000 0.262 566 P C 0.302 177.504 177.300 -0.163 0.000 1.182 566 P CA 0.254 63.294 63.100 -0.100 0.000 0.761 566 P CB 0.420 32.077 31.700 -0.072 0.000 0.795 567 L N 0.948 122.027 121.223 -0.240 0.000 2.275 567 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 567 L C 1.325 178.019 176.870 -0.294 0.000 1.119 567 L CA 0.667 55.260 54.840 -0.411 0.000 0.790 567 L CB -0.487 41.232 42.059 -0.567 0.000 0.919 567 L HN 0.460 nan 8.230 nan 0.000 0.443 568 Q N 1.350 121.045 119.800 -0.176 0.000 2.269 568 Q HA 0.095 4.435 4.340 -0.000 0.000 0.300 568 Q C 0.913 176.865 176.000 -0.079 0.000 1.070 568 Q CA 0.950 56.687 55.803 -0.111 0.000 0.957 568 Q CB 0.204 28.897 28.738 -0.075 0.000 1.131 568 Q HN 0.341 nan 8.270 nan 0.000 0.377 569 G N 3.400 112.170 108.800 -0.050 0.000 2.273 569 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 569 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 569 G C -0.289 174.613 174.900 0.005 0.000 1.047 569 G CA 0.450 45.541 45.100 -0.015 0.000 0.869 569 G HN 0.641 nan 8.290 nan 0.000 0.502 570 Q N -1.088 118.726 119.800 0.023 0.000 2.309 570 Q HA 0.529 4.869 4.340 -0.000 0.000 0.264 570 Q C -0.095 176.068 176.000 0.271 0.000 1.008 570 Q CA -0.930 54.943 55.803 0.116 0.000 0.853 570 Q CB 1.298 30.076 28.738 0.066 0.000 1.314 570 Q HN 0.247 nan 8.270 nan 0.000 0.448 571 Q N 2.931 122.834 119.800 0.172 0.000 2.337 571 Q HA 0.108 4.448 4.340 -0.000 0.000 0.255 571 Q C -1.074 174.882 176.000 -0.073 0.000 0.997 571 Q CA 0.014 55.863 55.803 0.077 0.000 0.925 571 Q CB 0.650 29.401 28.738 0.021 0.000 1.212 571 Q HN 0.316 nan 8.270 nan 0.000 0.436 572 K N 4.459 124.679 120.400 -0.300 0.000 2.412 572 K HA 0.079 4.399 4.320 -0.000 0.000 0.284 572 K C -0.466 175.880 176.600 -0.423 0.000 1.046 572 K CA -0.088 55.633 56.287 -0.943 0.000 0.999 572 K CB 0.437 32.429 32.500 -0.846 0.000 0.941 572 K HN 0.663 nan 8.250 nan 0.000 0.474 573 R N 4.122 124.401 120.500 -0.368 0.000 2.738 573 R HA 0.094 4.433 4.340 -0.000 0.000 0.268 573 R C -2.137 174.159 176.300 -0.006 0.000 1.062 573 R CA -1.308 54.722 56.100 -0.117 0.000 1.158 573 R CB 0.024 30.304 30.300 -0.033 0.000 1.046 573 R HN 0.522 nan 8.270 nan 0.000 0.493 574 P HA -0.029 nan 4.420 nan 0.000 0.274 574 P C -0.040 177.284 177.300 0.040 0.000 1.237 574 P CA -0.193 62.925 63.100 0.031 0.000 0.793 574 P CB 0.376 32.065 31.700 -0.018 0.000 0.977 575 F N 2.334 122.208 119.950 -0.126 0.000 2.091 575 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 575 F C 1.630 177.099 175.800 -0.551 0.000 1.103 575 F CA 1.986 59.804 58.000 -0.303 0.000 1.228 575 F CB -0.589 38.319 39.000 -0.153 0.000 0.984 575 F HN 0.329 nan 8.300 nan 0.000 0.477 576 E N 0.024 120.064 120.200 -0.266 0.000 2.333 576 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 576 E C 1.636 177.933 176.600 -0.505 0.000 1.007 576 E CA 1.431 57.590 56.400 -0.401 0.000 0.845 576 E CB -0.357 29.242 29.700 -0.169 0.000 0.766 576 E HN 0.595 nan 8.360 nan 0.000 0.507 577 E N -0.633 119.318 120.200 -0.415 0.000 2.498 577 E HA 0.063 4.413 4.350 -0.000 0.000 0.203 577 E C -0.231 176.185 176.600 -0.306 0.000 1.013 577 E CA -0.038 56.175 56.400 -0.312 0.000 0.927 577 E CB 0.244 29.866 29.700 -0.131 0.000 1.012 577 E HN 0.477 nan 8.360 nan 0.000 0.482 578 H N -4.072 114.740 119.070 -0.430 0.000 2.894 578 H HA 0.313 4.869 4.556 -0.000 0.000 0.368 578 H C -0.673 174.315 175.328 -0.566 0.000 1.181 578 H CA -1.213 54.641 56.048 -0.323 0.000 1.146 578 H CB 0.230 29.901 29.762 -0.151 0.000 1.839 578 H HN -0.080 nan 8.280 nan 0.000 0.557 579 W N 0.078 121.377 121.300 -0.001 0.000 3.239 579 W HA 0.352 5.012 4.660 -0.000 0.000 0.368 579 W C 0.557 177.105 176.519 0.049 0.000 1.154 579 W CA -0.526 56.762 57.345 -0.094 0.000 1.860 579 W CB 0.636 30.061 29.460 -0.059 0.000 1.094 579 W HN 0.385 nan 8.180 nan 0.000 0.643 580 R N 3.415 124.165 120.500 0.416 0.000 3.247 580 R HA 0.096 4.436 4.340 -0.000 0.000 0.212 580 R C -0.204 176.201 176.300 0.175 0.000 1.604 580 R CA 0.444 56.704 56.100 0.266 0.000 1.279 580 R CB -0.876 29.538 30.300 0.189 0.000 1.277 580 R HN 0.063 nan 8.270 nan 0.000 0.669 581 K N 0.445 120.889 120.400 0.075 0.000 2.610 581 K HA 0.215 4.534 4.320 -0.000 0.000 0.278 581 K C -1.242 175.411 176.600 0.088 0.000 0.964 581 K CA -1.060 55.232 56.287 0.008 0.000 0.859 581 K CB 0.829 33.285 32.500 -0.074 0.000 1.434 581 K HN 0.129 nan 8.250 nan 0.000 0.410 582 H N 0.936 120.140 119.070 0.222 0.000 2.690 582 H HA 0.161 4.717 4.556 -0.000 0.000 0.365 582 H C -0.114 175.380 175.328 0.278 0.000 1.142 582 H CA 0.116 56.283 56.048 0.197 0.000 1.417 582 H CB 1.074 30.887 29.762 0.084 0.000 1.446 582 H HN 0.523 nan 8.280 nan 0.000 0.599 583 T N 2.960 117.734 114.554 0.367 0.000 2.909 583 T HA 0.436 4.786 4.350 -0.000 0.000 0.286 583 T C 0.566 175.240 174.700 -0.043 0.000 1.002 583 T CA -0.657 61.513 62.100 0.117 0.000 1.074 583 T CB 0.602 69.583 68.868 0.188 0.000 0.984 583 T HN 0.250 nan 8.240 nan 0.000 0.495 584 L N 3.064 124.147 121.223 -0.234 0.000 2.415 584 L HA 0.418 4.758 4.340 -0.000 0.000 0.268 584 L C 0.145 176.929 176.870 -0.143 0.000 0.984 584 L CA -0.743 53.999 54.840 -0.163 0.000 0.853 584 L CB 1.606 43.620 42.059 -0.074 0.000 1.215 584 L HN 0.714 nan 8.230 nan 0.000 0.419 585 S N 1.772 117.364 115.700 -0.180 0.000 2.525 585 S HA 0.756 5.226 4.470 -0.000 0.000 0.290 585 S C -0.988 173.478 174.600 -0.224 0.000 1.152 585 S CA -0.552 57.581 58.200 -0.111 0.000 1.072 585 S CB 1.356 64.505 63.200 -0.085 0.000 1.027 585 S HN 0.338 nan 8.310 nan 0.000 0.500 586 Y N 0.330 120.572 120.300 -0.097 0.000 2.512 586 Y HA 0.666 5.216 4.550 -0.000 0.000 0.348 586 Y C -0.471 175.356 175.900 -0.121 0.000 0.990 586 Y CA -1.046 56.999 58.100 -0.093 0.000 1.033 586 Y CB 2.314 40.727 38.460 -0.079 0.000 1.259 586 Y HN 0.602 nan 8.280 nan 0.000 0.461 587 V N 1.987 121.925 119.914 0.039 0.000 2.638 587 V HA 0.197 4.317 4.120 -0.000 0.000 0.306 587 V C -0.837 175.223 176.094 -0.057 0.000 1.052 587 V CA -1.101 61.158 62.300 -0.068 0.000 0.885 587 V CB 2.036 33.776 31.823 -0.139 0.000 0.999 587 V HN 0.746 nan 8.190 nan 0.000 0.424 588 D N 3.707 124.050 120.400 -0.094 0.000 2.435 588 D HA 0.127 4.767 4.640 -0.000 0.000 0.230 588 D C 1.190 177.456 176.300 -0.056 0.000 1.215 588 D CA 0.204 54.166 54.000 -0.065 0.000 0.947 588 D CB 1.449 42.204 40.800 -0.076 0.000 1.048 588 D HN 0.290 nan 8.370 nan 0.000 0.512 589 V N 5.096 125.002 119.914 -0.013 0.000 2.222 589 V HA -0.370 3.750 4.120 -0.000 0.000 0.252 589 V C 2.451 178.623 176.094 0.131 0.000 1.060 589 V CA 2.087 64.419 62.300 0.054 0.000 1.027 589 V CB -0.337 31.518 31.823 0.055 0.000 0.644 589 V HN 0.592 nan 8.190 nan 0.000 0.448 590 K N 0.506 120.953 120.400 0.078 0.000 2.074 590 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 590 K C 2.268 178.937 176.600 0.114 0.000 1.048 590 K CA 1.994 58.329 56.287 0.080 0.000 0.926 590 K CB -0.368 32.151 32.500 0.033 0.000 0.713 590 K HN 0.689 nan 8.250 nan 0.000 0.444 591 S N -0.930 114.817 115.700 0.077 0.000 2.468 591 S HA 0.135 4.605 4.470 -0.000 0.000 0.226 591 S C 1.293 175.929 174.600 0.059 0.000 1.051 591 S CA 0.370 58.610 58.200 0.066 0.000 0.943 591 S CB 0.478 63.678 63.200 0.000 0.000 0.810 591 S HN 0.396 nan 8.310 nan 0.000 0.509 592 G N 1.699 110.435 108.800 -0.107 0.000 2.325 592 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.248 592 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.248 592 G C -0.356 174.322 174.900 -0.370 0.000 1.108 592 G CA 0.160 44.956 45.100 -0.507 0.000 0.881 592 G HN 0.759 nan 8.290 nan 0.000 0.494 593 K N 0.421 120.664 120.400 -0.262 0.000 2.182 593 K HA 0.645 4.965 4.320 -0.000 0.000 0.262 593 K C 0.273 176.693 176.600 -0.299 0.000 0.957 593 K CA -0.745 55.381 56.287 -0.269 0.000 0.842 593 K CB 1.558 33.958 32.500 -0.166 0.000 1.099 593 K HN 0.052 nan 8.250 nan 0.000 0.438 594 V N 3.206 122.859 119.914 -0.435 0.000 2.546 594 V HA 0.254 4.374 4.120 -0.000 0.000 0.284 594 V C -0.167 175.812 176.094 -0.192 0.000 1.050 594 V CA -0.351 61.738 62.300 -0.351 0.000 0.981 594 V CB 1.461 32.956 31.823 -0.547 0.000 0.990 594 V HN 0.836 nan 8.190 nan 0.000 0.474 595 T N 6.590 121.099 114.554 -0.074 0.000 2.840 595 T HA 0.681 5.031 4.350 -0.000 0.000 0.287 595 T C -0.521 174.218 174.700 0.065 0.000 0.991 595 T CA -0.329 61.757 62.100 -0.024 0.000 0.964 595 T CB 0.932 69.762 68.868 -0.063 0.000 0.954 595 T HN 0.385 nan 8.240 nan 0.000 0.438 596 L N 2.674 123.914 121.223 0.029 0.000 2.319 596 L HA 0.767 5.107 4.340 -0.000 0.000 0.267 596 L C 0.046 176.878 176.870 -0.063 0.000 1.011 596 L CA -1.108 53.719 54.840 -0.022 0.000 0.818 596 L CB 1.769 43.790 42.059 -0.064 0.000 1.316 596 L HN 0.391 nan 8.230 nan 0.000 0.432 597 K N 0.534 120.804 120.400 -0.216 0.000 2.533 597 K HA 0.642 4.962 4.320 -0.000 0.000 0.284 597 K C -1.964 174.360 176.600 -0.459 0.000 1.025 597 K CA -0.991 55.227 56.287 -0.115 0.000 0.900 597 K CB 2.552 35.126 32.500 0.122 0.000 1.519 597 K HN 0.273 nan 8.250 nan 0.000 0.432 598 Y N 0.310 120.708 120.300 0.164 0.000 2.492 598 Y HA 0.413 4.963 4.550 -0.000 0.000 0.346 598 Y C -0.444 175.600 175.900 0.240 0.000 0.997 598 Y CA -1.067 57.122 58.100 0.149 0.000 1.025 598 Y CB 2.039 40.485 38.460 -0.024 0.000 1.263 598 Y HN 0.482 nan 8.280 nan 0.000 0.454 599 R N 0.956 121.626 120.500 0.284 0.000 2.854 599 R HA 0.786 5.126 4.340 -0.000 0.000 0.271 599 R C -3.308 173.200 176.300 0.346 0.000 0.996 599 R CA -2.315 53.820 56.100 0.058 0.000 0.961 599 R CB 1.720 31.724 30.300 -0.494 0.000 1.182 599 R HN 0.217 nan 8.270 nan 0.000 0.479 600 P HA 0.029 nan 4.420 nan 0.000 0.272 600 P C -0.685 176.723 177.300 0.180 0.000 1.230 600 P CA -0.515 62.755 63.100 0.284 0.000 0.788 600 P CB 0.612 32.389 31.700 0.130 0.000 0.949 601 V N 3.501 123.471 119.914 0.094 0.000 2.432 601 V HA 0.178 4.298 4.120 -0.000 0.000 0.275 601 V C 0.637 176.819 176.094 0.148 0.000 1.043 601 V CA -0.332 61.977 62.300 0.013 0.000 0.925 601 V CB 0.411 32.197 31.823 -0.061 0.000 0.985 601 V HN 0.379 nan 8.190 nan 0.000 0.466 602 I N 4.699 125.390 120.570 0.202 0.000 2.421 602 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 602 I C 0.565 176.787 176.117 0.175 0.000 1.089 602 I CA 0.150 61.557 61.300 0.179 0.000 1.354 602 I CB 0.526 38.635 38.000 0.182 0.000 1.413 602 I HN 0.649 nan 8.210 nan 0.000 0.513 603 D N 5.063 125.564 120.400 0.169 0.000 2.389 603 D HA 0.020 4.660 4.640 -0.000 0.000 0.206 603 D C 0.907 177.318 176.300 0.185 0.000 1.055 603 D CA 0.119 54.230 54.000 0.185 0.000 0.856 603 D CB 0.326 41.236 40.800 0.182 0.000 0.957 603 D HN 0.533 nan 8.370 nan 0.000 0.509 604 R N 1.490 122.086 120.500 0.161 0.000 2.539 604 R HA 0.300 4.640 4.340 -0.000 0.000 0.275 604 R C 0.434 176.829 176.300 0.159 0.000 1.077 604 R CA -0.200 55.987 56.100 0.145 0.000 1.097 604 R CB 0.480 30.854 30.300 0.123 0.000 1.018 604 R HN -0.134 nan 8.270 nan 0.000 0.483 605 T N -0.134 114.502 114.554 0.136 0.000 2.849 605 T HA 0.204 4.554 4.350 -0.000 0.000 0.276 605 T C 1.472 176.287 174.700 0.192 0.000 0.971 605 T CA -0.946 61.243 62.100 0.148 0.000 0.949 605 T CB 0.646 69.477 68.868 -0.061 0.000 1.093 605 T HN 0.610 nan 8.240 nan 0.000 0.545 606 L N 0.161 121.611 121.223 0.379 0.000 2.291 606 L HA 0.194 4.534 4.340 -0.000 0.000 0.214 606 L C 1.182 178.147 176.870 0.158 0.000 1.120 606 L CA 0.758 55.677 54.840 0.131 0.000 0.799 606 L CB -0.278 41.676 42.059 -0.175 0.000 0.925 606 L HN 0.701 nan 8.230 nan 0.000 0.446 607 N N -0.554 118.295 118.700 0.249 0.000 2.697 607 N HA -0.020 4.720 4.740 -0.000 0.000 0.271 607 N C 0.199 175.761 175.510 0.087 0.000 1.149 607 N CA -0.032 53.112 53.050 0.157 0.000 0.939 607 N CB 1.568 40.161 38.487 0.176 0.000 1.534 607 N HN -0.147 nan 8.380 nan 0.000 0.556 608 E N 2.369 122.599 120.200 0.051 0.000 2.110 608 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 608 E C 0.732 177.334 176.600 0.005 0.000 0.988 608 E CA 1.841 58.251 56.400 0.016 0.000 0.804 608 E CB 0.378 30.097 29.700 0.030 0.000 0.745 608 E HN 0.597 nan 8.360 nan 0.000 0.458 609 E N 0.227 120.442 120.200 0.024 0.000 2.110 609 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 609 E C 1.592 178.200 176.600 0.014 0.000 0.988 609 E CA 1.430 57.841 56.400 0.018 0.000 0.804 609 E CB -0.240 29.477 29.700 0.029 0.000 0.745 609 E HN 0.283 nan 8.360 nan 0.000 0.458 610 D N -1.277 119.148 120.400 0.041 0.000 2.162 610 D HA -0.029 4.611 4.640 -0.000 0.000 0.203 610 D C -0.380 175.895 176.300 -0.042 0.000 0.967 610 D CA 0.474 54.512 54.000 0.063 0.000 0.840 610 D CB 0.306 41.223 40.800 0.196 0.000 0.972 610 D HN 0.129 nan 8.370 nan 0.000 0.482 611 C N 0.830 120.046 119.300 -0.140 0.000 2.442 611 C HA 0.526 4.986 4.460 -0.000 0.000 0.335 611 C C -0.360 174.455 174.990 -0.292 0.000 1.134 611 C CA -0.705 58.086 59.018 -0.379 0.000 1.344 611 C CB -0.096 27.138 27.740 -0.843 0.000 1.956 611 C HN 0.066 nan 8.230 nan 0.000 0.438 612 S N 3.099 118.715 115.700 -0.140 0.000 2.533 612 S HA 0.181 4.651 4.470 -0.000 0.000 0.282 612 S C 0.372 175.016 174.600 0.072 0.000 1.304 612 S CA 0.334 58.517 58.200 -0.027 0.000 1.063 612 S CB 0.676 63.874 63.200 -0.004 0.000 0.881 612 S HN 0.941 nan 8.310 nan 0.000 0.493 613 S N 3.253 119.014 115.700 0.101 0.000 2.560 613 S HA 0.222 4.692 4.470 -0.000 0.000 0.284 613 S C -0.349 174.412 174.600 0.269 0.000 1.327 613 S CA -0.569 57.762 58.200 0.218 0.000 1.055 613 S CB 0.220 63.520 63.200 0.166 0.000 0.868 613 S HN 0.463 nan 8.310 nan 0.000 0.506 614 V N 8.076 128.213 119.914 0.372 0.000 2.357 614 V HA 0.454 4.574 4.120 -0.000 0.000 0.284 614 V C -1.826 174.515 176.094 0.412 0.000 1.018 614 V CA -1.705 60.824 62.300 0.382 0.000 0.841 614 V CB 1.395 33.492 31.823 0.456 0.000 0.991 614 V HN 0.827 nan 8.190 nan 0.000 0.437 615 P HA 0.313 nan 4.420 nan 0.000 0.274 615 P C -2.759 174.072 177.300 -0.781 0.000 1.237 615 P CA -1.654 61.337 63.100 -0.182 0.000 0.793 615 P CB 0.414 32.023 31.700 -0.152 0.000 0.977 616 P HA 0.247 nan 4.420 nan 0.000 0.271 616 P C -0.676 175.667 177.300 -1.595 0.000 1.233 616 P CA 0.627 62.356 63.100 -2.286 0.000 0.795 616 P CB 0.078 30.616 31.700 -1.936 0.000 0.936 617 A N 0.468 122.487 122.820 -1.335 0.000 2.550 617 A HA 0.380 4.700 4.320 -0.000 0.000 0.295 617 A C -1.204 176.211 177.584 -0.281 0.000 1.001 617 A CA -0.640 51.065 52.037 -0.554 0.000 0.660 617 A CB 0.285 19.075 19.000 -0.350 0.000 1.308 617 A HN 0.305 nan 8.150 nan 0.000 0.426 618 I N 0.834 121.357 120.570 -0.078 0.000 2.845 618 I HA 0.050 4.220 4.170 -0.000 0.000 0.296 618 I C 1.117 177.279 176.117 0.075 0.000 1.216 618 I CA 0.883 62.194 61.300 0.017 0.000 1.438 618 I CB -0.134 37.883 38.000 0.029 0.000 1.342 618 I HN 0.719 nan 8.210 nan 0.000 0.577 619 R N 5.198 125.772 120.500 0.125 0.000 2.346 619 R HA 0.379 4.719 4.340 -0.000 0.000 0.309 619 R C -0.782 175.571 176.300 0.088 0.000 1.119 619 R CA -0.164 56.023 56.100 0.144 0.000 1.112 619 R CB 0.446 30.896 30.300 0.250 0.000 1.132 619 R HN 0.846 nan 8.270 nan 0.000 0.538 620 S N 2.354 118.036 115.700 -0.030 0.000 2.541 620 S HA 0.508 4.978 4.470 -0.000 0.000 0.280 620 S C -1.093 173.416 174.600 -0.151 0.000 1.112 620 S CA -0.766 57.442 58.200 0.014 0.000 0.925 620 S CB 1.253 64.481 63.200 0.046 0.000 1.067 620 S HN 0.377 nan 8.310 nan 0.000 0.479 621 Y N 0.000 120.344 120.300 0.074 0.000 2.660 621 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 621 Y CA 0.000 58.137 58.100 0.062 0.000 1.940 621 Y CB 0.000 38.488 38.460 0.047 0.000 1.050 621 Y HN 0.000 nan 8.280 nan 0.000 0.758