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 3mx5_1_A DATA FIRST_RESID 7 DATA SEQUENCE IKSFLWTQSL RRELSGYCSN IKLQVVKDAQ ALLHGLDFSE VSNVQRLMRK DATA SEQUENCE ERRDDNDLKR LRDLNQAVNN LVELKSTQQK SILRVGTLTS DDLLILAADL DATA SEQUENCE EKLKSKVIRT ERPLSAGVYM GNLSSQQLDQ RRALLNMIGM XXXXXXXXXX DATA SEQUENCE XDGVVRVWDV KNAELLNNQF GTMPSLTLAC LTKQGQVDLN DAVQALTDLG DATA SEQUENCE LIYTAKYPNT SDLDRLTQSH PILNMIDTKK SSLNISGYNF SLGAAVKAGA DATA SEQUENCE CMLDGGNMLE TIKVSPQTMD GILKSILKVK KALGMFISDT PGERNPYENI DATA SEQUENCE LYKICLSGDG WPYIASRTSI TGRAWENTVV DLEXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXGLT YSQLMTLKDA MLQLDPNAKT WMDIEGRPED PVEIALYQPS DATA SEQUENCE SGCYIHFFRE PTDLKQFKQD AKYSHGIDVT DLFATQPGLT SAVIDALPRN DATA SEQUENCE MVITCQGSDD IRKLLESQGR KDIKLIDIAL SKTDSRKYEN AVWDQYKDLC DATA SEQUENCE HMHTGVVVEK KXXXXKEEIT PHCALMDCIM FDAAVSGGLN TSVLRAVLPR DATA SEQUENCE DMVFR 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 7 I HA 0.000 nan 4.170 nan 0.000 0.288 7 I C 0.000 176.134 176.117 0.028 0.000 1.063 7 I CA 0.000 61.325 61.300 0.042 0.000 1.566 7 I CB 0.000 38.014 38.000 0.022 0.000 1.214 8 K N 2.453 122.816 120.400 -0.060 0.000 2.020 8 K HA -0.190 4.130 4.320 -0.001 0.000 0.212 8 K C 1.703 178.041 176.600 -0.437 0.000 1.050 8 K CA 2.566 58.746 56.287 -0.179 0.000 0.929 8 K CB -0.157 32.207 32.500 -0.227 0.000 0.714 8 K HN 0.668 nan 8.250 nan 0.000 0.443 9 S N -0.073 115.362 115.700 -0.442 0.000 2.359 9 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 9 S C 1.879 176.439 174.600 -0.068 0.000 1.035 9 S CA 1.288 59.228 58.200 -0.434 0.000 1.018 9 S CB -0.576 62.443 63.200 -0.301 0.000 0.876 9 S HN 0.461 nan 8.310 nan 0.000 0.448 10 F N 1.726 121.638 119.950 -0.064 0.000 2.216 10 F HA 0.021 4.547 4.527 -0.002 0.000 0.300 10 F C 1.860 177.707 175.800 0.078 0.000 1.085 10 F CA 1.240 59.271 58.000 0.051 0.000 1.326 10 F CB -0.529 38.522 39.000 0.085 0.000 1.027 10 F HN 0.332 nan 8.300 nan 0.000 0.497 11 L N -0.709 120.562 121.223 0.082 0.000 2.083 11 L HA -0.179 4.160 4.340 -0.001 0.000 0.209 11 L C 1.881 178.852 176.870 0.168 0.000 1.083 11 L CA 1.818 56.713 54.840 0.092 0.000 0.752 11 L CB -1.117 41.047 42.059 0.174 0.000 0.899 11 L HN 0.162 nan 8.230 nan 0.000 0.433 12 W N 0.078 121.339 121.300 -0.065 0.000 2.355 12 W HA -0.098 4.561 4.660 -0.002 0.000 0.309 12 W C 2.691 179.148 176.519 -0.103 0.000 1.206 12 W CA 1.651 58.958 57.345 -0.063 0.000 1.284 12 W CB -1.759 27.683 29.460 -0.031 0.000 1.145 12 W HN 0.092 nan 8.180 nan 0.000 0.502 13 T N 0.400 115.011 114.554 0.095 0.000 2.665 13 T HA -0.268 4.081 4.350 -0.001 0.000 0.268 13 T C 1.780 176.329 174.700 -0.253 0.000 1.035 13 T CA 1.970 64.022 62.100 -0.079 0.000 1.151 13 T CB -0.471 68.329 68.868 -0.113 0.000 0.862 13 T HN 0.228 nan 8.240 nan 0.000 0.438 14 Q N 0.465 119.989 119.800 -0.461 0.000 2.124 14 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 14 Q C 2.716 178.621 176.000 -0.158 0.000 0.977 14 Q CA 1.390 56.969 55.803 -0.373 0.000 0.850 14 Q CB -0.186 28.307 28.738 -0.407 0.000 0.901 14 Q HN 0.448 nan 8.270 nan 0.000 0.429 15 S N 0.870 116.516 115.700 -0.089 0.000 2.402 15 S HA -0.058 4.411 4.470 -0.001 0.000 0.229 15 S C 1.909 176.488 174.600 -0.035 0.000 1.021 15 S CA 0.718 58.892 58.200 -0.044 0.000 0.974 15 S CB -0.053 63.133 63.200 -0.024 0.000 0.800 15 S HN 0.274 nan 8.310 nan 0.000 0.484 16 L N 0.613 121.821 121.223 -0.025 0.000 2.179 16 L HA 0.047 4.386 4.340 -0.001 0.000 0.208 16 L C 2.688 179.556 176.870 -0.004 0.000 1.096 16 L CA 0.820 55.663 54.840 0.005 0.000 0.779 16 L CB -0.258 41.831 42.059 0.050 0.000 0.922 16 L HN 0.185 nan 8.230 nan 0.000 0.443 17 R N -0.200 120.270 120.500 -0.050 0.000 2.066 17 R HA -0.113 4.226 4.340 -0.001 0.000 0.232 17 R C 2.443 178.723 176.300 -0.033 0.000 1.131 17 R CA 1.301 57.364 56.100 -0.061 0.000 0.955 17 R CB -0.158 30.069 30.300 -0.122 0.000 0.851 17 R HN 0.279 nan 8.270 nan 0.000 0.432 18 R N 0.079 120.556 120.500 -0.038 0.000 2.081 18 R HA -0.160 4.179 4.340 -0.001 0.000 0.235 18 R C 2.179 178.476 176.300 -0.004 0.000 1.131 18 R CA 1.558 57.644 56.100 -0.022 0.000 0.960 18 R CB -0.119 30.166 30.300 -0.026 0.000 0.856 18 R HN 0.157 nan 8.270 nan 0.000 0.436 19 E N 0.750 120.955 120.200 0.007 0.000 2.208 19 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 19 E C 1.185 177.831 176.600 0.076 0.000 0.988 19 E CA 0.946 57.362 56.400 0.028 0.000 0.828 19 E CB 0.144 29.857 29.700 0.021 0.000 0.763 19 E HN 0.260 nan 8.360 nan 0.000 0.478 20 L N 0.593 121.876 121.223 0.100 0.000 2.667 20 L HA 0.191 4.531 4.340 -0.001 0.000 0.232 20 L C 1.934 178.894 176.870 0.150 0.000 1.138 20 L CA 0.429 55.400 54.840 0.219 0.000 0.921 20 L CB -0.038 42.142 42.059 0.202 0.000 1.180 20 L HN 0.135 nan 8.230 nan 0.000 0.487 21 S N 0.460 116.187 115.700 0.044 0.000 2.381 21 S HA -0.251 4.218 4.470 -0.001 0.000 0.230 21 S C 2.084 176.668 174.600 -0.027 0.000 1.052 21 S CA 1.689 59.891 58.200 0.004 0.000 1.068 21 S CB -1.088 62.101 63.200 -0.020 0.000 0.918 21 S HN 0.471 nan 8.310 nan 0.000 0.448 22 G N -0.133 108.595 108.800 -0.119 0.000 2.448 22 G HA2 -0.115 3.845 3.960 -0.001 0.000 0.219 22 G HA3 -0.115 3.845 3.960 -0.001 0.000 0.219 22 G C 1.032 175.770 174.900 -0.269 0.000 1.127 22 G CA 0.875 45.825 45.100 -0.250 0.000 0.766 22 G HN 0.694 nan 8.290 nan 0.000 0.552 23 Y N 0.108 120.412 120.300 0.008 0.000 2.523 23 Y HA 0.258 4.807 4.550 -0.001 0.000 0.279 23 Y C 1.875 177.791 175.900 0.028 0.000 1.139 23 Y CA -1.415 56.692 58.100 0.012 0.000 1.296 23 Y CB -0.564 37.904 38.460 0.013 0.000 1.045 23 Y HN 0.012 nan 8.280 nan 0.000 0.538 24 C N 1.352 120.740 119.300 0.146 0.000 2.689 24 C HA 0.467 4.926 4.460 -0.001 0.000 0.409 24 C C 0.974 176.022 174.990 0.096 0.000 1.293 24 C CA -0.492 58.591 59.018 0.108 0.000 2.136 24 C CB -0.264 27.513 27.740 0.061 0.000 2.719 24 C HN 0.508 nan 8.230 nan 0.000 0.644 25 S N 1.642 117.411 115.700 0.115 0.000 2.697 25 S HA 0.460 4.929 4.470 -0.001 0.000 0.289 25 S C -1.139 173.516 174.600 0.090 0.000 1.149 25 S CA -0.797 57.469 58.200 0.111 0.000 0.850 25 S CB 1.044 64.345 63.200 0.169 0.000 1.151 25 S HN 0.722 nan 8.310 nan 0.000 0.491 26 N N 1.353 120.098 118.700 0.076 0.000 2.645 26 N HA 0.298 5.037 4.740 -0.001 0.000 0.233 26 N C -0.091 175.448 175.510 0.048 0.000 1.058 26 N CA -0.100 52.981 53.050 0.052 0.000 0.942 26 N CB 0.580 39.090 38.487 0.038 0.000 1.210 26 N HN 0.674 nan 8.380 nan 0.000 0.512 27 I N -0.656 119.937 120.570 0.038 0.000 3.974 27 I HA 0.175 4.344 4.170 -0.001 0.000 0.334 27 I C 1.809 177.911 176.117 -0.025 0.000 1.437 27 I CA -0.240 61.061 61.300 0.002 0.000 1.113 27 I CB 0.165 38.146 38.000 -0.031 0.000 1.063 27 I HN 0.099 nan 8.210 nan 0.000 0.400 28 K N 1.689 122.085 120.400 -0.007 0.000 2.059 28 K HA -0.221 4.098 4.320 -0.001 0.000 0.212 28 K C 2.010 178.599 176.600 -0.018 0.000 1.050 28 K CA 2.285 58.566 56.287 -0.011 0.000 0.927 28 K CB -0.258 32.241 32.500 -0.001 0.000 0.714 28 K HN 0.550 nan 8.250 nan 0.000 0.447 29 L N 0.876 122.092 121.223 -0.013 0.000 2.012 29 L HA -0.285 4.054 4.340 -0.001 0.000 0.210 29 L C 2.530 179.384 176.870 -0.026 0.000 1.073 29 L CA 1.652 56.484 54.840 -0.012 0.000 0.748 29 L CB -0.194 41.864 42.059 -0.003 0.000 0.891 29 L HN 0.359 nan 8.230 nan 0.000 0.431 30 Q N -1.276 118.497 119.800 -0.045 0.000 2.050 30 Q HA -0.207 4.132 4.340 -0.001 0.000 0.202 30 Q C 2.148 178.090 176.000 -0.096 0.000 0.980 30 Q CA 1.929 57.684 55.803 -0.080 0.000 0.840 30 Q CB -0.365 28.293 28.738 -0.132 0.000 0.898 30 Q HN 0.378 nan 8.270 nan 0.000 0.424 31 V N 0.247 120.103 119.914 -0.098 0.000 2.332 31 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 31 V C 2.154 178.225 176.094 -0.039 0.000 1.055 31 V CA 1.547 63.799 62.300 -0.081 0.000 1.038 31 V CB -0.461 31.322 31.823 -0.066 0.000 0.651 31 V HN 0.220 nan 8.190 nan 0.000 0.450 32 V N -0.070 119.829 119.914 -0.025 0.000 2.515 32 V HA -0.250 3.869 4.120 -0.001 0.000 0.250 32 V C 2.409 178.502 176.094 -0.001 0.000 1.058 32 V CA 2.177 64.473 62.300 -0.007 0.000 1.064 32 V CB -0.670 31.151 31.823 -0.003 0.000 0.675 32 V HN 0.585 nan 8.190 nan 0.000 0.461 33 K N -0.016 120.377 120.400 -0.011 0.000 2.097 33 K HA -0.233 4.086 4.320 -0.001 0.000 0.206 33 K C 1.784 178.386 176.600 0.004 0.000 1.049 33 K CA 1.908 58.193 56.287 -0.003 0.000 0.933 33 K CB -0.187 32.306 32.500 -0.011 0.000 0.717 33 K HN 0.386 nan 8.250 nan 0.000 0.442 34 D N 0.396 120.787 120.400 -0.016 0.000 2.117 34 D HA -0.088 4.551 4.640 -0.001 0.000 0.198 34 D C 1.772 178.086 176.300 0.023 0.000 0.982 34 D CA 1.318 55.311 54.000 -0.012 0.000 0.828 34 D CB -0.157 40.613 40.800 -0.050 0.000 0.967 34 D HN 0.355 nan 8.370 nan 0.000 0.464 35 A N 0.532 123.369 122.820 0.028 0.000 1.933 35 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 35 A C 2.106 179.740 177.584 0.085 0.000 1.175 35 A CA 1.420 53.494 52.037 0.063 0.000 0.628 35 A CB -0.578 18.452 19.000 0.050 0.000 0.814 35 A HN 0.218 nan 8.150 nan 0.000 0.444 36 Q N -0.772 119.065 119.800 0.062 0.000 2.119 36 Q HA -0.056 4.283 4.340 -0.001 0.000 0.201 36 Q C 2.399 178.467 176.000 0.113 0.000 0.972 36 Q CA 1.237 57.085 55.803 0.074 0.000 0.847 36 Q CB -0.352 28.412 28.738 0.044 0.000 0.903 36 Q HN 0.696 nan 8.270 nan 0.000 0.433 37 A N 0.703 123.580 122.820 0.095 0.000 1.902 37 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 37 A C 2.027 179.680 177.584 0.114 0.000 1.181 37 A CA 1.072 53.174 52.037 0.108 0.000 0.623 37 A CB -0.626 18.411 19.000 0.061 0.000 0.818 37 A HN 0.289 nan 8.150 nan 0.000 0.443 38 L N -0.703 120.589 121.223 0.115 0.000 2.046 38 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 38 L C 2.528 179.579 176.870 0.301 0.000 1.077 38 L CA 1.029 55.956 54.840 0.146 0.000 0.747 38 L CB -0.547 41.600 42.059 0.146 0.000 0.896 38 L HN 0.353 nan 8.230 nan 0.000 0.432 39 L N -0.934 120.476 121.223 0.312 0.000 2.083 39 L HA -0.250 4.090 4.340 -0.001 0.000 0.209 39 L C 2.700 179.750 176.870 0.300 0.000 1.083 39 L CA 1.054 56.086 54.840 0.321 0.000 0.752 39 L CB -0.603 41.541 42.059 0.141 0.000 0.899 39 L HN 0.344 nan 8.230 nan 0.000 0.433 40 H N -0.484 118.664 119.070 0.130 0.000 2.470 40 H HA -0.019 4.537 4.556 0.000 0.000 0.289 40 H C 1.812 177.194 175.328 0.089 0.000 1.033 40 H CA 1.386 57.487 56.048 0.090 0.000 1.331 40 H CB 0.173 29.969 29.762 0.056 0.000 1.414 40 H HN 0.192 nan 8.280 nan 0.000 0.545 41 G N -0.570 108.215 108.800 -0.025 0.000 2.748 41 G HA2 0.122 4.081 3.960 -0.001 0.000 0.204 41 G HA3 0.122 4.081 3.960 -0.001 0.000 0.204 41 G C -0.046 174.804 174.900 -0.083 0.000 1.095 41 G CA -0.138 44.872 45.100 -0.150 0.000 0.775 41 G HN 0.247 nan 8.290 nan 0.000 0.531 42 L N 1.461 122.652 121.223 -0.053 0.000 2.375 42 L HA 0.493 4.833 4.340 -0.001 0.000 0.271 42 L C -0.815 175.956 176.870 -0.165 0.000 1.107 42 L CA -0.916 53.802 54.840 -0.203 0.000 0.806 42 L CB 1.668 43.442 42.059 -0.476 0.000 1.146 42 L HN -0.031 nan 8.230 nan 0.000 0.447 43 D N 2.438 122.731 120.400 -0.179 0.000 2.393 43 D HA 0.063 4.703 4.640 -0.001 0.000 0.232 43 D C 0.642 176.861 176.300 -0.135 0.000 1.192 43 D CA 0.163 54.116 54.000 -0.077 0.000 0.882 43 D CB 0.121 40.888 40.800 -0.054 0.000 1.038 43 D HN 0.390 nan 8.370 nan 0.000 0.499 44 F N 1.564 121.522 119.950 0.014 0.000 2.502 44 F HA -0.108 4.420 4.527 0.001 0.000 0.298 44 F C 2.651 178.460 175.800 0.016 0.000 1.111 44 F CA 0.733 58.749 58.000 0.027 0.000 1.445 44 F CB -0.058 38.973 39.000 0.053 0.000 1.081 44 F HN 0.411 nan 8.300 nan 0.000 0.558 45 S N -0.395 115.386 115.700 0.136 0.000 2.402 45 S HA -0.213 4.256 4.470 -0.001 0.000 0.229 45 S C 1.927 176.532 174.600 0.009 0.000 1.021 45 S CA 1.341 59.583 58.200 0.070 0.000 0.974 45 S CB -0.312 62.918 63.200 0.050 0.000 0.800 45 S HN 0.360 nan 8.310 nan 0.000 0.484 46 E N 1.261 121.436 120.200 -0.042 0.000 2.152 46 E HA 0.027 4.376 4.350 -0.001 0.000 0.192 46 E C 1.836 178.331 176.600 -0.176 0.000 0.983 46 E CA 0.852 57.190 56.400 -0.104 0.000 0.818 46 E CB -0.561 29.064 29.700 -0.126 0.000 0.758 46 E HN 0.359 nan 8.360 nan 0.000 0.467 47 V N 0.216 120.018 119.914 -0.188 0.000 2.287 47 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 47 V C 2.405 178.458 176.094 -0.069 0.000 1.053 47 V CA 2.032 64.211 62.300 -0.200 0.000 1.027 47 V CB -0.781 31.032 31.823 -0.017 0.000 0.646 47 V HN 0.360 nan 8.190 nan 0.000 0.447 48 S N -0.087 115.631 115.700 0.029 0.000 2.399 48 S HA -0.226 4.243 4.470 -0.001 0.000 0.231 48 S C 1.900 176.505 174.600 0.009 0.000 1.022 48 S CA 1.931 60.165 58.200 0.056 0.000 0.983 48 S CB -0.509 62.740 63.200 0.083 0.000 0.803 48 S HN 0.679 nan 8.310 nan 0.000 0.480 49 N N 0.652 119.335 118.700 -0.028 0.000 2.142 49 N HA -0.038 4.702 4.740 -0.001 0.000 0.186 49 N C 1.557 177.038 175.510 -0.049 0.000 1.023 49 N CA 1.605 54.635 53.050 -0.034 0.000 0.852 49 N CB -0.411 38.048 38.487 -0.046 0.000 0.998 49 N HN 0.257 nan 8.380 nan 0.000 0.424 50 V N 0.783 120.630 119.914 -0.111 0.000 2.343 50 V HA -0.231 3.889 4.120 -0.001 0.000 0.247 50 V C 2.283 178.357 176.094 -0.034 0.000 1.051 50 V CA 1.639 63.866 62.300 -0.123 0.000 1.036 50 V CB -0.702 30.907 31.823 -0.357 0.000 0.654 50 V HN 0.396 nan 8.190 nan 0.000 0.451 51 Q N -0.332 119.456 119.800 -0.020 0.000 2.077 51 Q HA -0.281 4.058 4.340 -0.001 0.000 0.206 51 Q C 2.486 178.512 176.000 0.043 0.000 0.989 51 Q CA 2.234 58.065 55.803 0.046 0.000 0.853 51 Q CB -0.350 28.436 28.738 0.079 0.000 0.907 51 Q HN 0.571 nan 8.270 nan 0.000 0.418 52 R N 0.759 121.275 120.500 0.027 0.000 2.094 52 R HA -0.185 4.154 4.340 -0.001 0.000 0.239 52 R C 2.144 178.448 176.300 0.007 0.000 1.137 52 R CA 1.482 57.593 56.100 0.018 0.000 0.943 52 R CB -0.358 29.949 30.300 0.013 0.000 0.850 52 R HN 0.259 nan 8.270 nan 0.000 0.433 53 L N 0.221 121.447 121.223 0.006 0.000 2.131 53 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 53 L C 2.555 179.417 176.870 -0.013 0.000 1.092 53 L CA 0.945 55.785 54.840 -0.001 0.000 0.759 53 L CB -0.352 41.723 42.059 0.027 0.000 0.903 53 L HN 0.317 nan 8.230 nan 0.000 0.435 54 M N -0.785 118.834 119.600 0.032 0.000 2.419 54 M HA -0.076 4.403 4.480 -0.001 0.000 0.264 54 M C 2.178 178.477 176.300 -0.001 0.000 1.082 54 M CA 1.266 56.591 55.300 0.042 0.000 1.119 54 M CB -0.829 31.847 32.600 0.128 0.000 1.398 54 M HN 0.220 nan 8.290 nan 0.000 0.453 55 R N 0.589 121.090 120.500 0.001 0.000 2.189 55 R HA 0.002 4.341 4.340 -0.001 0.000 0.218 55 R C 0.425 176.702 176.300 -0.038 0.000 1.074 55 R CA 0.507 56.602 56.100 -0.007 0.000 0.991 55 R CB -0.087 30.218 30.300 0.008 0.000 0.883 55 R HN 0.377 nan 8.270 nan 0.000 0.457 56 K N 1.475 121.838 120.400 -0.062 0.000 2.412 56 K HA -0.042 4.277 4.320 -0.001 0.000 0.281 56 K C 0.784 177.306 176.600 -0.129 0.000 1.027 56 K CA 0.139 56.373 56.287 -0.090 0.000 0.989 56 K CB 0.656 33.093 32.500 -0.106 0.000 0.935 56 K HN 0.210 nan 8.250 nan 0.000 0.475 57 E N 2.694 122.830 120.200 -0.106 0.000 2.204 57 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 57 E C 0.073 176.577 176.600 -0.160 0.000 0.989 57 E CA 0.971 57.302 56.400 -0.115 0.000 0.824 57 E CB 0.120 29.773 29.700 -0.078 0.000 0.756 57 E HN 0.340 nan 8.360 nan 0.000 0.477 58 R N 0.822 121.223 120.500 -0.166 0.000 2.483 58 R HA 0.389 4.728 4.340 -0.001 0.000 0.303 58 R C -0.794 175.375 176.300 -0.218 0.000 0.987 58 R CA -0.402 55.588 56.100 -0.183 0.000 0.881 58 R CB 1.753 31.992 30.300 -0.102 0.000 1.177 58 R HN -0.043 nan 8.270 nan 0.000 0.451 59 R N 1.166 121.458 120.500 -0.347 0.000 2.740 59 R HA 0.350 4.689 4.340 -0.001 0.000 0.282 59 R C -0.680 175.577 176.300 -0.071 0.000 0.969 59 R CA -1.062 54.831 56.100 -0.345 0.000 0.918 59 R CB 1.482 31.227 30.300 -0.924 0.000 1.175 59 R HN 0.582 nan 8.270 nan 0.000 0.464 60 D N -0.628 119.822 120.400 0.084 0.000 2.616 60 D HA 0.130 4.769 4.640 -0.001 0.000 0.260 60 D C 0.052 176.522 176.300 0.283 0.000 1.158 60 D CA -0.680 53.431 54.000 0.184 0.000 1.085 60 D CB 0.431 41.293 40.800 0.102 0.000 1.222 60 D HN 0.247 nan 8.370 nan 0.000 0.626 61 D N -1.074 119.446 120.400 0.199 0.000 2.178 61 D HA -0.124 4.515 4.640 -0.001 0.000 0.201 61 D C 1.305 177.681 176.300 0.128 0.000 0.980 61 D CA 0.771 54.865 54.000 0.157 0.000 0.842 61 D CB -0.073 40.788 40.800 0.102 0.000 0.948 61 D HN 0.281 nan 8.370 nan 0.000 0.472 62 N N 1.144 119.910 118.700 0.109 0.000 2.104 62 N HA -0.129 4.610 4.740 -0.001 0.000 0.190 62 N C 1.250 176.823 175.510 0.104 0.000 1.024 62 N CA 0.901 54.000 53.050 0.082 0.000 0.853 62 N CB -0.218 38.305 38.487 0.059 0.000 1.008 62 N HN 0.328 nan 8.380 nan 0.000 0.424 63 D N 0.510 121.008 120.400 0.164 0.000 2.117 63 D HA -0.101 4.538 4.640 -0.001 0.000 0.198 63 D C 2.073 178.561 176.300 0.312 0.000 0.982 63 D CA 0.332 54.462 54.000 0.217 0.000 0.828 63 D CB -0.312 40.605 40.800 0.194 0.000 0.967 63 D HN 0.116 nan 8.370 nan 0.000 0.464 64 L N 1.584 123.033 121.223 0.377 0.000 2.079 64 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 64 L C 2.175 179.050 176.870 0.007 0.000 1.081 64 L CA 1.761 56.664 54.840 0.105 0.000 0.752 64 L CB -0.475 41.553 42.059 -0.051 0.000 0.896 64 L HN -0.137 nan 8.230 nan 0.000 0.433 65 K N -1.187 119.232 120.400 0.031 0.000 2.026 65 K HA -0.163 4.156 4.320 -0.001 0.000 0.208 65 K C 2.243 178.832 176.600 -0.019 0.000 1.048 65 K CA 1.028 57.312 56.287 -0.004 0.000 0.929 65 K CB -0.089 32.415 32.500 0.008 0.000 0.713 65 K HN 0.158 nan 8.250 nan 0.000 0.439 66 R N 0.659 121.159 120.500 0.000 0.000 2.105 66 R HA -0.157 4.182 4.340 -0.001 0.000 0.239 66 R C 2.345 178.607 176.300 -0.063 0.000 1.135 66 R CA 1.172 57.256 56.100 -0.028 0.000 0.967 66 R CB -0.752 29.541 30.300 -0.011 0.000 0.861 66 R HN 0.307 nan 8.270 nan 0.000 0.442 67 L N 0.975 122.174 121.223 -0.041 0.000 2.044 67 L HA -0.060 4.279 4.340 -0.001 0.000 0.205 67 L C 2.334 179.130 176.870 -0.123 0.000 1.075 67 L CA 1.554 56.338 54.840 -0.092 0.000 0.747 67 L CB -0.322 41.698 42.059 -0.064 0.000 0.903 67 L HN -0.078 nan 8.230 nan 0.000 0.435 68 R N -0.147 120.277 120.500 -0.126 0.000 2.105 68 R HA -0.168 4.171 4.340 -0.001 0.000 0.239 68 R C 1.842 178.091 176.300 -0.085 0.000 1.135 68 R CA 1.702 57.730 56.100 -0.119 0.000 0.967 68 R CB -0.555 29.678 30.300 -0.110 0.000 0.861 68 R HN 0.469 nan 8.270 nan 0.000 0.442 69 D N 0.508 120.863 120.400 -0.076 0.000 2.103 69 D HA -0.126 4.513 4.640 -0.001 0.000 0.199 69 D C 1.780 178.034 176.300 -0.078 0.000 0.978 69 D CA 0.647 54.607 54.000 -0.067 0.000 0.829 69 D CB -0.302 40.463 40.800 -0.058 0.000 0.981 69 D HN -0.001 nan 8.370 nan 0.000 0.464 70 L N 1.370 122.529 121.223 -0.107 0.000 2.013 70 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 70 L C 1.587 178.429 176.870 -0.046 0.000 1.073 70 L CA 1.683 56.444 54.840 -0.132 0.000 0.753 70 L CB -0.790 41.099 42.059 -0.284 0.000 0.890 70 L HN -0.059 nan 8.230 nan 0.000 0.432 71 N N -0.531 118.164 118.700 -0.008 0.000 2.060 71 N HA -0.271 4.468 4.740 -0.001 0.000 0.195 71 N C 1.884 177.384 175.510 -0.017 0.000 1.028 71 N CA 1.557 54.619 53.050 0.020 0.000 0.861 71 N CB -0.420 38.046 38.487 -0.035 0.000 1.029 71 N HN 0.428 nan 8.380 nan 0.000 0.428 72 Q N 0.619 120.396 119.800 -0.039 0.000 2.119 72 Q HA 0.116 4.455 4.340 -0.001 0.000 0.201 72 Q C 1.810 177.789 176.000 -0.036 0.000 0.972 72 Q CA 1.541 57.322 55.803 -0.037 0.000 0.847 72 Q CB -0.486 28.227 28.738 -0.041 0.000 0.903 72 Q HN 0.388 nan 8.270 nan 0.000 0.433 73 A N -0.889 121.904 122.820 -0.044 0.000 1.930 73 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 73 A C 2.233 179.788 177.584 -0.049 0.000 1.175 73 A CA 1.398 53.403 52.037 -0.053 0.000 0.627 73 A CB -0.622 18.334 19.000 -0.074 0.000 0.815 73 A HN 0.245 nan 8.150 nan 0.000 0.443 74 V N 0.640 120.534 119.914 -0.034 0.000 2.270 74 V HA -0.281 3.838 4.120 -0.001 0.000 0.245 74 V C 2.367 178.447 176.094 -0.023 0.000 1.043 74 V CA 2.311 64.596 62.300 -0.024 0.000 1.014 74 V CB -1.094 30.736 31.823 0.011 0.000 0.645 74 V HN 0.802 nan 8.190 nan 0.000 0.447 75 N N 0.550 119.239 118.700 -0.020 0.000 2.258 75 N HA -0.213 4.527 4.740 -0.001 0.000 0.187 75 N C 1.510 177.012 175.510 -0.013 0.000 1.012 75 N CA 1.488 54.528 53.050 -0.016 0.000 0.870 75 N CB -0.136 38.341 38.487 -0.016 0.000 0.977 75 N HN 0.454 nan 8.380 nan 0.000 0.434 76 N N -0.107 118.581 118.700 -0.019 0.000 2.396 76 N HA -0.023 4.717 4.740 -0.001 0.000 0.180 76 N C 1.062 176.563 175.510 -0.015 0.000 1.028 76 N CA 0.606 53.646 53.050 -0.017 0.000 0.893 76 N CB -0.007 38.466 38.487 -0.023 0.000 0.967 76 N HN 0.386 nan 8.380 nan 0.000 0.440 77 L N 0.274 121.486 121.223 -0.019 0.000 2.529 77 L HA 0.155 4.495 4.340 -0.001 0.000 0.223 77 L C 0.423 177.290 176.870 -0.005 0.000 1.113 77 L CA -0.057 54.775 54.840 -0.013 0.000 0.861 77 L CB 0.210 42.258 42.059 -0.019 0.000 1.012 77 L HN -0.054 nan 8.230 nan 0.000 0.461 78 V N -4.467 115.440 119.914 -0.011 0.000 2.667 78 V HA 0.348 4.467 4.120 -0.001 0.000 0.308 78 V C 0.620 176.700 176.094 -0.024 0.000 1.048 78 V CA -0.664 61.624 62.300 -0.021 0.000 0.928 78 V CB 2.044 33.847 31.823 -0.034 0.000 1.004 78 V HN 0.091 nan 8.190 nan 0.000 0.444 79 E N 2.085 122.258 120.200 -0.044 0.000 2.190 79 E HA 0.225 4.574 4.350 -0.001 0.000 0.191 79 E C 0.192 176.739 176.600 -0.088 0.000 0.978 79 E CA 0.322 56.697 56.400 -0.041 0.000 0.839 79 E CB 0.186 29.866 29.700 -0.034 0.000 0.787 79 E HN 0.699 nan 8.360 nan 0.000 0.473 80 L N 2.677 123.771 121.223 -0.216 0.000 2.401 80 L HA 0.156 4.495 4.340 -0.001 0.000 0.283 80 L C -0.108 176.713 176.870 -0.081 0.000 1.151 80 L CA 0.324 54.918 54.840 -0.409 0.000 0.942 80 L CB -0.050 41.602 42.059 -0.678 0.000 1.283 80 L HN -0.180 nan 8.230 nan 0.000 0.442 81 K N 1.774 122.263 120.400 0.148 0.000 2.378 81 K HA 0.522 4.841 4.320 -0.001 0.000 0.252 81 K C -0.700 176.062 176.600 0.271 0.000 0.931 81 K CA -0.676 55.711 56.287 0.167 0.000 0.794 81 K CB 2.541 35.106 32.500 0.107 0.000 1.181 81 K HN 0.258 nan 8.250 nan 0.000 0.425 82 S N 1.220 117.027 115.700 0.178 0.000 2.554 82 S HA 0.351 4.820 4.470 -0.001 0.000 0.278 82 S C -0.282 174.355 174.600 0.061 0.000 1.242 82 S CA -0.583 57.696 58.200 0.131 0.000 1.051 82 S CB 1.121 64.380 63.200 0.098 0.000 0.986 82 S HN 0.500 nan 8.310 nan 0.000 0.502 83 T N 1.942 116.512 114.554 0.027 0.000 2.929 83 T HA 0.347 4.697 4.350 -0.001 0.000 0.284 83 T C -0.175 174.513 174.700 -0.020 0.000 1.014 83 T CA -0.817 61.285 62.100 0.004 0.000 1.051 83 T CB 0.890 69.757 68.868 -0.001 0.000 1.028 83 T HN 0.443 nan 8.240 nan 0.000 0.485 84 Q N 1.845 121.630 119.800 -0.024 0.000 2.257 84 Q HA 0.152 4.491 4.340 -0.001 0.000 0.273 84 Q C -0.713 175.261 176.000 -0.043 0.000 1.153 84 Q CA 0.459 56.239 55.803 -0.038 0.000 0.922 84 Q CB 0.140 28.856 28.738 -0.037 0.000 1.242 84 Q HN 0.515 nan 8.270 nan 0.000 0.409 85 Q N 3.033 122.800 119.800 -0.055 0.000 2.695 85 Q HA 0.220 4.559 4.340 -0.001 0.000 0.246 85 Q C -1.672 174.288 176.000 -0.067 0.000 0.961 85 Q CA -0.504 55.264 55.803 -0.058 0.000 0.708 85 Q CB 0.619 29.320 28.738 -0.062 0.000 1.282 85 Q HN 0.612 nan 8.270 nan 0.000 0.482 86 K N 0.833 121.196 120.400 -0.061 0.000 2.237 86 K HA 0.680 4.999 4.320 -0.001 0.000 0.270 86 K C -0.785 175.780 176.600 -0.058 0.000 1.015 86 K CA -0.285 55.963 56.287 -0.065 0.000 0.949 86 K CB 1.014 33.479 32.500 -0.058 0.000 0.976 86 K HN 0.339 nan 8.250 nan 0.000 0.472 87 S N 3.120 118.784 115.700 -0.060 0.000 2.594 87 S HA 0.425 4.894 4.470 -0.001 0.000 0.296 87 S C -0.629 173.946 174.600 -0.042 0.000 1.124 87 S CA -0.810 57.359 58.200 -0.053 0.000 1.011 87 S CB 0.735 63.897 63.200 -0.064 0.000 1.016 87 S HN 0.561 nan 8.310 nan 0.000 0.485 88 I N 3.546 124.097 120.570 -0.033 0.000 2.312 88 I HA 0.328 4.497 4.170 -0.001 0.000 0.290 88 I C -0.740 175.363 176.117 -0.022 0.000 1.008 88 I CA -0.581 60.704 61.300 -0.024 0.000 1.226 88 I CB 0.927 38.916 38.000 -0.018 0.000 1.371 88 I HN 0.377 nan 8.210 nan 0.000 0.468 89 L N 7.352 128.564 121.223 -0.019 0.000 2.292 89 L HA 0.544 4.883 4.340 -0.001 0.000 0.284 89 L C 0.174 177.038 176.870 -0.010 0.000 1.065 89 L CA -0.375 54.456 54.840 -0.017 0.000 0.806 89 L CB 0.695 42.744 42.059 -0.017 0.000 1.175 89 L HN 0.584 nan 8.230 nan 0.000 0.431 90 R N 1.392 121.886 120.500 -0.010 0.000 2.888 90 R HA 0.605 4.944 4.340 -0.001 0.000 0.264 90 R C -1.116 175.181 176.300 -0.005 0.000 1.045 90 R CA -1.060 55.036 56.100 -0.006 0.000 0.962 90 R CB 2.423 32.718 30.300 -0.007 0.000 1.210 90 R HN 0.258 nan 8.270 nan 0.000 0.479 91 V N 1.392 121.304 119.914 -0.004 0.000 2.655 91 V HA 0.318 4.437 4.120 -0.001 0.000 0.300 91 V C 1.000 177.092 176.094 -0.003 0.000 1.044 91 V CA 1.492 63.790 62.300 -0.003 0.000 1.095 91 V CB 0.855 32.677 31.823 -0.002 0.000 0.952 91 V HN 1.122 nan 8.190 nan 0.000 0.485 92 G N 3.249 112.047 108.800 -0.002 0.000 2.123 92 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.100 92 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.100 92 G C 0.865 175.766 174.900 0.000 0.000 1.023 92 G CA 0.374 45.473 45.100 -0.002 0.000 1.101 92 G HN 0.457 nan 8.290 nan 0.000 0.331 93 T N 1.718 116.273 114.554 0.001 0.000 2.746 93 T HA 0.162 4.511 4.350 -0.001 0.000 0.267 93 T C 1.226 175.928 174.700 0.003 0.000 1.039 93 T CA 0.876 62.978 62.100 0.004 0.000 1.142 93 T CB -0.326 68.547 68.868 0.007 0.000 0.866 93 T HN 0.156 nan 8.240 nan 0.000 0.444 94 L N 2.449 123.672 121.223 -0.000 0.000 2.326 94 L HA 0.285 4.624 4.340 -0.001 0.000 0.278 94 L C 1.103 177.973 176.870 -0.001 0.000 1.092 94 L CA -0.838 54.002 54.840 -0.001 0.000 0.810 94 L CB 0.953 43.011 42.059 -0.002 0.000 1.153 94 L HN 0.251 nan 8.230 nan 0.000 0.439 95 T N -1.362 113.192 114.554 -0.001 0.000 2.754 95 T HA 0.031 4.380 4.350 -0.001 0.000 0.286 95 T C 1.245 175.944 174.700 -0.001 0.000 0.997 95 T CA -0.208 61.891 62.100 -0.001 0.000 0.982 95 T CB 1.362 70.229 68.868 -0.002 0.000 1.027 95 T HN 0.567 nan 8.240 nan 0.000 0.529 96 S N -0.169 115.531 115.700 -0.001 0.000 2.365 96 S HA -0.211 4.258 4.470 -0.001 0.000 0.225 96 S C 1.711 176.311 174.600 -0.000 0.000 1.039 96 S CA 2.053 60.252 58.200 -0.001 0.000 1.033 96 S CB -0.963 62.236 63.200 -0.002 0.000 0.887 96 S HN 0.899 nan 8.310 nan 0.000 0.447 97 D N 0.455 120.854 120.400 -0.001 0.000 2.144 97 D HA -0.082 4.557 4.640 -0.001 0.000 0.200 97 D C 1.666 177.967 176.300 0.001 0.000 0.978 97 D CA 1.211 55.210 54.000 -0.001 0.000 0.833 97 D CB -0.263 40.535 40.800 -0.004 0.000 0.961 97 D HN 0.349 nan 8.370 nan 0.000 0.470 98 D N -0.194 120.206 120.400 0.001 0.000 2.123 98 D HA -0.140 4.500 4.640 -0.001 0.000 0.196 98 D C 2.185 178.490 176.300 0.010 0.000 0.992 98 D CA 0.725 54.728 54.000 0.004 0.000 0.833 98 D CB -0.134 40.667 40.800 0.002 0.000 0.954 98 D HN 0.336 nan 8.370 nan 0.000 0.455 99 L N 0.394 121.621 121.223 0.007 0.000 2.217 99 L HA -0.066 4.274 4.340 -0.001 0.000 0.211 99 L C 2.549 179.426 176.870 0.012 0.000 1.107 99 L CA 0.290 55.136 54.840 0.009 0.000 0.783 99 L CB -0.169 41.893 42.059 0.004 0.000 0.919 99 L HN 0.035 nan 8.230 nan 0.000 0.442 100 L N -0.464 120.765 121.223 0.011 0.000 2.044 100 L HA -0.191 4.148 4.340 -0.001 0.000 0.205 100 L C 2.518 179.400 176.870 0.020 0.000 1.075 100 L CA 1.401 56.248 54.840 0.012 0.000 0.747 100 L CB -0.473 41.590 42.059 0.007 0.000 0.903 100 L HN 0.218 nan 8.230 nan 0.000 0.435 101 I N 0.064 120.647 120.570 0.022 0.000 2.163 101 I HA -0.347 3.822 4.170 -0.001 0.000 0.243 101 I C 2.555 178.705 176.117 0.056 0.000 1.085 101 I CA 1.474 62.796 61.300 0.036 0.000 1.347 101 I CB -0.216 37.801 38.000 0.028 0.000 1.044 101 I HN 0.210 nan 8.210 nan 0.000 0.408 102 L N 0.063 121.315 121.223 0.049 0.000 2.093 102 L HA -0.190 4.149 4.340 -0.001 0.000 0.208 102 L C 2.834 179.729 176.870 0.041 0.000 1.085 102 L CA 1.181 56.053 54.840 0.052 0.000 0.755 102 L CB -0.657 41.422 42.059 0.034 0.000 0.904 102 L HN 0.268 nan 8.230 nan 0.000 0.435 103 A N 0.141 122.980 122.820 0.032 0.000 1.883 103 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 103 A C 2.491 180.094 177.584 0.030 0.000 1.186 103 A CA 2.030 54.084 52.037 0.028 0.000 0.624 103 A CB -0.707 18.305 19.000 0.021 0.000 0.822 103 A HN 0.433 nan 8.150 nan 0.000 0.444 104 A N -0.445 122.396 122.820 0.036 0.000 1.898 104 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 104 A C 1.801 179.417 177.584 0.054 0.000 1.181 104 A CA 1.825 53.886 52.037 0.040 0.000 0.620 104 A CB -0.554 18.472 19.000 0.044 0.000 0.819 104 A HN 0.436 nan 8.150 nan 0.000 0.442 105 D N 0.007 120.451 120.400 0.074 0.000 2.144 105 D HA -0.077 4.562 4.640 -0.001 0.000 0.200 105 D C 1.872 178.196 176.300 0.041 0.000 0.978 105 D CA 0.928 54.982 54.000 0.089 0.000 0.833 105 D CB -0.247 40.640 40.800 0.146 0.000 0.961 105 D HN 0.438 nan 8.370 nan 0.000 0.470 106 L N 0.548 121.791 121.223 0.034 0.000 2.156 106 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 106 L C 2.380 179.258 176.870 0.015 0.000 1.095 106 L CA 0.765 55.629 54.840 0.040 0.000 0.770 106 L CB -0.181 41.912 42.059 0.056 0.000 0.914 106 L HN -0.019 nan 8.230 nan 0.000 0.439 107 E N 0.766 120.963 120.200 -0.005 0.000 2.106 107 E HA -0.213 4.137 4.350 -0.001 0.000 0.192 107 E C 2.016 178.575 176.600 -0.068 0.000 0.984 107 E CA 1.156 57.522 56.400 -0.056 0.000 0.806 107 E CB 0.228 29.912 29.700 -0.027 0.000 0.750 107 E HN 0.440 nan 8.360 nan 0.000 0.458 108 K N 0.164 120.560 120.400 -0.007 0.000 2.062 108 K HA -0.114 4.205 4.320 -0.001 0.000 0.205 108 K C 2.204 178.804 176.600 0.000 0.000 1.051 108 K CA 0.563 56.861 56.287 0.018 0.000 0.941 108 K CB -0.123 32.425 32.500 0.079 0.000 0.719 108 K HN 0.034 nan 8.250 nan 0.000 0.440 109 L N 2.159 123.390 121.223 0.013 0.000 2.046 109 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 109 L C 2.178 179.040 176.870 -0.012 0.000 1.077 109 L CA 1.783 56.653 54.840 0.050 0.000 0.747 109 L CB -0.412 41.712 42.059 0.108 0.000 0.896 109 L HN 0.045 nan 8.230 nan 0.000 0.432 110 K N -1.139 119.137 120.400 -0.206 0.000 2.001 110 K HA -0.262 4.057 4.320 -0.001 0.000 0.214 110 K C 2.354 178.597 176.600 -0.596 0.000 1.050 110 K CA 2.009 57.811 56.287 -0.808 0.000 0.934 110 K CB -0.485 31.410 32.500 -1.008 0.000 0.718 110 K HN 0.408 nan 8.250 nan 0.000 0.443 111 S N 0.461 115.962 115.700 -0.332 0.000 2.370 111 S HA -0.198 4.271 4.470 -0.001 0.000 0.226 111 S C 2.008 176.536 174.600 -0.120 0.000 1.033 111 S CA 1.711 59.789 58.200 -0.203 0.000 1.011 111 S CB -0.245 62.876 63.200 -0.132 0.000 0.852 111 S HN 0.368 nan 8.310 nan 0.000 0.457 112 K N 0.097 120.456 120.400 -0.068 0.000 2.026 112 K HA -0.049 4.270 4.320 -0.001 0.000 0.208 112 K C 2.001 178.598 176.600 -0.004 0.000 1.048 112 K CA 1.703 57.984 56.287 -0.010 0.000 0.929 112 K CB -0.307 32.213 32.500 0.033 0.000 0.713 112 K HN 0.348 nan 8.250 nan 0.000 0.439 113 V N 1.462 121.386 119.914 0.018 0.000 2.453 113 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 113 V C 2.205 178.341 176.094 0.069 0.000 1.048 113 V CA 1.359 63.705 62.300 0.077 0.000 1.049 113 V CB -0.259 31.719 31.823 0.259 0.000 0.672 113 V HN 0.292 nan 8.190 nan 0.000 0.457 114 I N -0.245 120.333 120.570 0.013 0.000 2.226 114 I HA -0.224 3.945 4.170 -0.001 0.000 0.245 114 I C 2.655 178.771 176.117 -0.001 0.000 1.100 114 I CA 1.530 62.841 61.300 0.019 0.000 1.374 114 I CB -0.407 37.559 38.000 -0.056 0.000 1.057 114 I HN 0.199 nan 8.210 nan 0.000 0.413 115 R N -0.128 120.356 120.500 -0.027 0.000 2.189 115 R HA -0.070 4.269 4.340 -0.001 0.000 0.223 115 R C 2.099 178.393 176.300 -0.010 0.000 1.092 115 R CA 1.420 57.505 56.100 -0.024 0.000 0.989 115 R CB -0.338 29.940 30.300 -0.035 0.000 0.876 115 R HN 0.363 nan 8.270 nan 0.000 0.457 116 T N 0.318 114.869 114.554 -0.005 0.000 2.939 116 T HA -0.004 4.346 4.350 -0.001 0.000 0.254 116 T C 1.411 176.104 174.700 -0.011 0.000 1.041 116 T CA 0.893 62.987 62.100 -0.009 0.000 1.142 116 T CB 0.188 69.047 68.868 -0.016 0.000 0.874 116 T HN 0.319 nan 8.240 nan 0.000 0.452 117 E N 0.533 120.733 120.200 -0.001 0.000 2.201 117 E HA 0.156 4.505 4.350 -0.001 0.000 0.193 117 E C 2.276 178.886 176.600 0.016 0.000 0.957 117 E CA -0.020 56.376 56.400 -0.007 0.000 0.858 117 E CB 0.088 29.784 29.700 -0.007 0.000 0.816 117 E HN 0.179 nan 8.360 nan 0.000 0.475 118 R N 1.252 121.771 120.500 0.032 0.000 2.120 118 R HA -0.086 4.253 4.340 -0.001 0.000 0.234 118 R C -0.802 175.521 176.300 0.038 0.000 1.123 118 R CA 1.233 57.357 56.100 0.041 0.000 0.975 118 R CB -0.508 29.817 30.300 0.042 0.000 0.866 118 R HN 0.065 nan 8.270 nan 0.000 0.446 119 P HA -0.048 nan 4.420 nan 0.000 0.225 119 P C 0.808 178.133 177.300 0.042 0.000 1.156 119 P CA 0.832 63.949 63.100 0.029 0.000 0.787 119 P CB 0.052 31.761 31.700 0.014 0.000 0.802 120 L N -0.673 120.580 121.223 0.050 0.000 2.189 120 L HA -0.224 4.115 4.340 -0.001 0.000 0.214 120 L C 2.139 179.105 176.870 0.160 0.000 1.097 120 L CA 2.088 56.982 54.840 0.090 0.000 0.764 120 L CB -0.754 41.372 42.059 0.112 0.000 0.900 120 L HN 0.188 nan 8.230 nan 0.000 0.436 121 S N -2.253 113.531 115.700 0.140 0.000 2.731 121 S HA 0.217 4.687 4.470 -0.001 0.000 0.244 121 S C 1.976 176.638 174.600 0.103 0.000 1.084 121 S CA 0.201 58.497 58.200 0.159 0.000 0.877 121 S CB 0.062 63.351 63.200 0.148 0.000 0.798 121 S HN 0.188 nan 8.310 nan 0.000 0.496 122 A N 2.020 124.883 122.820 0.071 0.000 1.898 122 A HA 0.518 4.838 4.320 -0.001 0.000 0.216 122 A C 1.562 179.175 177.584 0.049 0.000 1.181 122 A CA 1.067 53.134 52.037 0.050 0.000 0.620 122 A CB -1.361 17.657 19.000 0.030 0.000 0.819 122 A HN 1.803 nan 8.150 nan 0.000 0.442 123 G N -2.829 106.001 108.800 0.049 0.000 2.690 123 G HA2 0.150 4.109 3.960 -0.001 0.000 0.686 123 G HA3 0.150 4.109 3.960 -0.001 0.000 0.686 123 G C -0.813 174.115 174.900 0.047 0.000 1.277 123 G CA -0.426 44.702 45.100 0.047 0.000 0.799 123 G HN 1.091 nan 8.290 nan 0.000 0.613 124 V N 1.683 121.625 119.914 0.045 0.000 2.525 124 V HA 0.496 4.615 4.120 -0.001 0.000 0.299 124 V C -0.031 176.109 176.094 0.077 0.000 1.034 124 V CA -0.846 61.487 62.300 0.055 0.000 0.863 124 V CB 1.645 33.482 31.823 0.023 0.000 0.999 124 V HN 1.060 nan 8.190 nan 0.000 0.423 125 Y N 6.102 126.398 120.300 -0.008 0.000 2.526 125 Y HA 0.265 4.814 4.550 -0.002 0.000 0.330 125 Y C 0.734 176.628 175.900 -0.009 0.000 1.156 125 Y CA 0.204 58.299 58.100 -0.008 0.000 1.419 125 Y CB 0.806 39.261 38.460 -0.009 0.000 1.250 125 Y HN 0.561 nan 8.280 nan 0.000 0.540 126 M N 6.609 125.846 119.600 -0.605 0.000 2.875 126 M HA 0.239 4.719 4.480 -0.001 0.000 0.403 126 M C 0.625 176.569 176.300 -0.592 0.000 1.304 126 M CA 0.011 55.037 55.300 -0.456 0.000 0.854 126 M CB 0.171 32.636 32.600 -0.223 0.000 1.415 126 M HN 0.885 nan 8.290 nan 0.000 0.505 127 G N 1.395 109.486 108.800 -1.181 0.000 3.372 127 G HA2 0.029 3.988 3.960 -0.001 0.000 0.178 127 G HA3 0.029 3.988 3.960 -0.001 0.000 0.178 127 G C 0.169 174.926 174.900 -0.238 0.000 1.817 127 G CA -0.113 44.612 45.100 -0.625 0.000 0.996 127 G HN 0.422 nan 8.290 nan 0.000 0.559 128 N N 0.510 119.234 118.700 0.041 0.000 2.421 128 N HA 0.346 5.085 4.740 -0.001 0.000 0.260 128 N C -0.790 174.804 175.510 0.140 0.000 1.173 128 N CA 0.143 53.252 53.050 0.099 0.000 0.960 128 N CB -0.514 38.042 38.487 0.115 0.000 1.273 128 N HN 0.248 nan 8.380 nan 0.000 0.497 129 L N 0.633 121.894 121.223 0.064 0.000 2.479 129 L HA 0.436 4.776 4.340 -0.001 0.000 0.255 129 L C 0.219 177.105 176.870 0.027 0.000 1.026 129 L CA -1.191 53.688 54.840 0.066 0.000 0.842 129 L CB 1.802 43.900 42.059 0.065 0.000 1.444 129 L HN 0.432 nan 8.230 nan 0.000 0.409 130 S N -0.422 115.293 115.700 0.025 0.000 2.572 130 S HA 0.007 4.476 4.470 -0.001 0.000 0.267 130 S C 1.248 175.850 174.600 0.004 0.000 1.361 130 S CA 0.111 58.318 58.200 0.012 0.000 1.009 130 S CB 1.136 64.343 63.200 0.012 0.000 0.888 130 S HN 0.787 nan 8.310 nan 0.000 0.553 131 S N 1.485 117.185 115.700 0.000 0.000 2.370 131 S HA -0.203 4.266 4.470 -0.001 0.000 0.226 131 S C 1.828 176.426 174.600 -0.002 0.000 1.033 131 S CA 1.080 59.277 58.200 -0.004 0.000 1.011 131 S CB -0.768 62.430 63.200 -0.004 0.000 0.852 131 S HN 0.764 nan 8.310 nan 0.000 0.457 132 Q N 1.383 121.184 119.800 0.001 0.000 2.050 132 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 132 Q C 2.523 178.525 176.000 0.003 0.000 0.980 132 Q CA 1.850 57.654 55.803 0.002 0.000 0.840 132 Q CB -0.550 28.190 28.738 0.004 0.000 0.898 132 Q HN 0.764 nan 8.270 nan 0.000 0.424 133 Q N 0.230 120.034 119.800 0.007 0.000 2.050 133 Q HA -0.113 4.226 4.340 -0.001 0.000 0.202 133 Q C 2.351 178.353 176.000 0.003 0.000 0.980 133 Q CA 1.102 56.912 55.803 0.011 0.000 0.840 133 Q CB -0.182 28.571 28.738 0.024 0.000 0.898 133 Q HN 0.288 nan 8.270 nan 0.000 0.424 134 L N 0.778 121.998 121.223 -0.006 0.000 2.042 134 L HA -0.240 4.099 4.340 -0.001 0.000 0.210 134 L C 1.862 178.722 176.870 -0.017 0.000 1.076 134 L CA 1.013 55.841 54.840 -0.020 0.000 0.749 134 L CB -0.431 41.610 42.059 -0.030 0.000 0.893 134 L HN 0.228 nan 8.230 nan 0.000 0.432 135 D N -0.465 119.928 120.400 -0.011 0.000 2.117 135 D HA -0.184 4.456 4.640 -0.001 0.000 0.198 135 D C 2.289 178.585 176.300 -0.007 0.000 0.982 135 D CA 1.105 55.099 54.000 -0.009 0.000 0.828 135 D CB -0.118 40.678 40.800 -0.006 0.000 0.967 135 D HN 0.428 nan 8.370 nan 0.000 0.464 136 Q N 0.291 120.089 119.800 -0.003 0.000 2.046 136 Q HA -0.057 4.282 4.340 -0.001 0.000 0.200 136 Q C 2.339 178.337 176.000 -0.003 0.000 0.975 136 Q CA 0.911 56.713 55.803 -0.001 0.000 0.836 136 Q CB 0.039 28.779 28.738 0.002 0.000 0.896 136 Q HN 0.184 nan 8.270 nan 0.000 0.428 137 R N 0.194 120.692 120.500 -0.004 0.000 2.091 137 R HA -0.132 4.207 4.340 -0.001 0.000 0.238 137 R C 2.252 178.545 176.300 -0.013 0.000 1.136 137 R CA 1.349 57.445 56.100 -0.007 0.000 0.959 137 R CB -0.110 30.185 30.300 -0.008 0.000 0.856 137 R HN 0.090 nan 8.270 nan 0.000 0.437 138 R N -0.162 120.328 120.500 -0.017 0.000 2.115 138 R HA -0.045 4.295 4.340 -0.001 0.000 0.230 138 R C 2.197 178.489 176.300 -0.013 0.000 1.111 138 R CA 1.305 57.394 56.100 -0.018 0.000 0.976 138 R CB -0.165 30.123 30.300 -0.020 0.000 0.870 138 R HN 0.224 nan 8.270 nan 0.000 0.445 139 A N 0.642 123.456 122.820 -0.009 0.000 1.897 139 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 139 A C 1.994 179.575 177.584 -0.004 0.000 1.181 139 A CA 0.948 52.982 52.037 -0.005 0.000 0.620 139 A CB -0.446 18.553 19.000 -0.001 0.000 0.821 139 A HN 0.277 nan 8.150 nan 0.000 0.443 140 L N -0.088 121.132 121.223 -0.005 0.000 2.017 140 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 140 L C 2.224 179.089 176.870 -0.007 0.000 1.073 140 L CA 1.672 56.509 54.840 -0.005 0.000 0.745 140 L CB -0.431 41.625 42.059 -0.005 0.000 0.894 140 L HN 0.383 nan 8.230 nan 0.000 0.432 141 L N -0.374 120.843 121.223 -0.011 0.000 2.127 141 L HA -0.236 4.103 4.340 -0.001 0.000 0.211 141 L C 2.060 178.922 176.870 -0.014 0.000 1.089 141 L CA 1.871 56.702 54.840 -0.014 0.000 0.757 141 L CB -0.757 41.290 42.059 -0.019 0.000 0.899 141 L HN 0.467 nan 8.230 nan 0.000 0.434 142 N N -0.684 118.009 118.700 -0.012 0.000 2.331 142 N HA -0.086 4.653 4.740 -0.001 0.000 0.180 142 N C 1.909 177.414 175.510 -0.008 0.000 1.019 142 N CA 0.728 53.771 53.050 -0.011 0.000 0.881 142 N CB 0.011 38.493 38.487 -0.009 0.000 0.972 142 N HN 0.298 nan 8.380 nan 0.000 0.435 143 M N 0.438 120.034 119.600 -0.006 0.000 2.254 143 M HA -0.001 4.478 4.480 -0.001 0.000 0.265 143 M C 1.587 177.883 176.300 -0.008 0.000 1.066 143 M CA 1.201 56.499 55.300 -0.004 0.000 1.123 143 M CB -0.076 32.524 32.600 0.000 0.000 1.388 143 M HN 0.280 nan 8.290 nan 0.000 0.425 144 I N -3.972 116.591 120.570 -0.011 0.000 3.976 144 I HA 0.439 4.608 4.170 -0.001 0.000 0.337 144 I C 0.817 176.922 176.117 -0.020 0.000 1.359 144 I CA 0.142 61.433 61.300 -0.015 0.000 1.098 144 I CB -0.120 37.871 38.000 -0.014 0.000 1.027 144 I HN 0.337 nan 8.210 nan 0.000 0.394 145 G N 2.020 110.809 108.800 -0.018 0.000 2.198 145 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.257 145 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.257 145 G C -0.041 174.844 174.900 -0.026 0.000 1.042 145 G CA 0.440 45.528 45.100 -0.020 0.000 0.791 145 G HN 0.447 nan 8.290 nan 0.000 0.502 159 G N 0.666 109.485 108.800 0.031 0.000 2.196 159 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.268 159 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.268 159 G C 0.281 175.097 174.900 -0.140 0.000 0.975 159 G CA 0.619 45.647 45.100 -0.119 0.000 0.648 159 G HN 0.547 nan 8.290 nan 0.000 0.538 160 V N 1.262 121.199 119.914 0.037 0.000 2.432 160 V HA 0.424 4.543 4.120 -0.001 0.000 0.271 160 V C 0.824 176.922 176.094 0.006 0.000 1.046 160 V CA -0.502 61.832 62.300 0.056 0.000 0.945 160 V CB 1.694 33.590 31.823 0.121 0.000 0.992 160 V HN 0.223 nan 8.190 nan 0.000 0.471 161 V N 7.974 127.880 119.914 -0.014 0.000 2.408 161 V HA 0.504 4.624 4.120 -0.001 0.000 0.267 161 V C 0.287 176.380 176.094 -0.002 0.000 1.047 161 V CA -0.286 62.000 62.300 -0.022 0.000 0.937 161 V CB 0.586 32.386 31.823 -0.038 0.000 0.999 161 V HN 1.028 nan 8.190 nan 0.000 0.472 162 R N 3.323 123.821 120.500 -0.004 0.000 2.668 162 R HA 0.687 5.026 4.340 -0.001 0.000 0.272 162 R C -0.889 175.393 176.300 -0.029 0.000 1.019 162 R CA -0.857 55.248 56.100 0.008 0.000 0.894 162 R CB 1.824 32.151 30.300 0.045 0.000 1.228 162 R HN 0.131 nan 8.270 nan 0.000 0.460 163 V N 0.102 119.990 119.914 -0.043 0.000 2.575 163 V HA 0.168 4.287 4.120 -0.001 0.000 0.242 163 V C -0.204 175.711 176.094 -0.300 0.000 1.045 163 V CA 0.551 62.736 62.300 -0.192 0.000 1.065 163 V CB -0.079 31.610 31.823 -0.224 0.000 0.717 163 V HN 0.605 nan 8.190 nan 0.000 0.467 164 W N 0.422 121.728 121.300 0.009 0.000 2.329 164 W HA 0.472 5.132 4.660 -0.001 0.000 0.312 164 W C -0.497 176.043 176.519 0.035 0.000 1.054 164 W CA -0.497 56.868 57.345 0.032 0.000 1.245 164 W CB 0.842 30.330 29.460 0.046 0.000 1.255 164 W HN -0.093 nan 8.180 nan 0.000 0.436 165 D N 4.278 124.831 120.400 0.255 0.000 2.493 165 D HA 0.277 4.917 4.640 -0.001 0.000 0.235 165 D C -0.882 175.535 176.300 0.195 0.000 1.117 165 D CA -0.062 54.044 54.000 0.176 0.000 0.930 165 D CB 0.433 41.295 40.800 0.104 0.000 1.010 165 D HN 0.163 nan 8.370 nan 0.000 0.514 166 V N 0.567 120.596 119.914 0.192 0.000 3.001 166 V HA 0.515 4.634 4.120 -0.001 0.000 0.314 166 V C 1.245 177.406 176.094 0.112 0.000 1.099 166 V CA -0.935 61.459 62.300 0.157 0.000 0.989 166 V CB 2.275 34.188 31.823 0.152 0.000 1.040 166 V HN 0.134 nan 8.190 nan 0.000 0.434 167 K N 1.159 121.615 120.400 0.092 0.000 2.076 167 K HA 0.083 4.402 4.320 -0.001 0.000 0.204 167 K C 0.587 177.233 176.600 0.077 0.000 1.051 167 K CA 1.191 57.528 56.287 0.085 0.000 0.949 167 K CB 0.104 32.648 32.500 0.074 0.000 0.726 167 K HN 0.830 nan 8.250 nan 0.000 0.443 168 N N -0.227 118.508 118.700 0.057 0.000 2.623 168 N HA 0.205 4.944 4.740 -0.001 0.000 0.256 168 N C -0.386 175.137 175.510 0.022 0.000 1.045 168 N CA -0.118 52.959 53.050 0.044 0.000 0.863 168 N CB 1.663 40.169 38.487 0.033 0.000 1.182 168 N HN 0.153 nan 8.380 nan 0.000 0.523 169 A N 2.785 125.624 122.820 0.033 0.000 2.121 169 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 169 A C 1.516 179.098 177.584 -0.003 0.000 1.154 169 A CA 1.008 53.054 52.037 0.014 0.000 0.679 169 A CB -0.208 18.816 19.000 0.041 0.000 0.795 169 A HN 0.772 nan 8.150 nan 0.000 0.458 170 E N -0.292 119.912 120.200 0.007 0.000 2.418 170 E HA -0.024 4.325 4.350 -0.001 0.000 0.197 170 E C 1.195 177.778 176.600 -0.027 0.000 1.026 170 E CA 0.363 56.763 56.400 -0.000 0.000 0.862 170 E CB -0.158 29.547 29.700 0.009 0.000 0.799 170 E HN 0.668 nan 8.360 nan 0.000 0.518 171 L N 0.318 121.514 121.223 -0.045 0.000 2.554 171 L HA -0.012 4.327 4.340 -0.001 0.000 0.226 171 L C 1.767 178.564 176.870 -0.122 0.000 1.137 171 L CA 0.179 54.972 54.840 -0.077 0.000 0.863 171 L CB -0.074 41.942 42.059 -0.073 0.000 0.985 171 L HN 0.168 nan 8.230 nan 0.000 0.451 172 L N -0.912 120.247 121.223 -0.107 0.000 2.313 172 L HA -0.020 4.319 4.340 -0.001 0.000 0.214 172 L C 0.580 177.489 176.870 0.066 0.000 1.119 172 L CA 0.095 54.913 54.840 -0.037 0.000 0.809 172 L CB -0.529 41.474 42.059 -0.095 0.000 0.933 172 L HN 0.263 nan 8.230 nan 0.000 0.449 173 N N 2.511 121.213 118.700 0.004 0.000 2.411 173 N HA -0.080 4.659 4.740 -0.001 0.000 0.265 173 N C 0.187 175.696 175.510 -0.001 0.000 1.266 173 N CA 0.527 53.584 53.050 0.011 0.000 0.889 173 N CB -0.071 38.402 38.487 -0.023 0.000 1.069 173 N HN 0.203 nan 8.380 nan 0.000 0.476 174 N N 0.844 119.568 118.700 0.039 0.000 2.782 174 N HA -0.169 4.570 4.740 -0.001 0.000 0.251 174 N C -0.279 175.196 175.510 -0.057 0.000 1.101 174 N CA 0.428 53.485 53.050 0.011 0.000 0.764 174 N CB -0.592 37.887 38.487 -0.012 0.000 1.122 174 N HN 0.621 nan 8.380 nan 0.000 0.561 175 Q N -1.057 118.655 119.800 -0.147 0.000 2.282 175 Q HA 0.281 4.620 4.340 -0.001 0.000 0.206 175 Q C 0.820 176.403 176.000 -0.696 0.000 0.878 175 Q CA 0.269 55.785 55.803 -0.478 0.000 0.944 175 Q CB 0.068 28.354 28.738 -0.752 0.000 1.100 175 Q HN 0.499 nan 8.270 nan 0.000 0.509 176 F N -0.574 119.360 119.950 -0.027 0.000 2.706 176 F HA 0.321 4.848 4.527 0.000 0.000 0.313 176 F C 1.413 177.188 175.800 -0.043 0.000 1.096 176 F CA -0.594 57.401 58.000 -0.009 0.000 1.219 176 F CB 0.406 39.412 39.000 0.010 0.000 1.051 176 F HN -0.121 nan 8.300 nan 0.000 0.568 177 G N 1.142 109.974 108.800 0.052 0.000 2.441 177 G HA2 0.356 4.315 3.960 -0.001 0.000 0.243 177 G HA3 0.356 4.315 3.960 -0.001 0.000 0.243 177 G C 0.165 175.035 174.900 -0.051 0.000 1.281 177 G CA -0.169 44.937 45.100 0.010 0.000 0.854 177 G HN 0.136 nan 8.290 nan 0.000 0.560 178 T N -0.452 114.084 114.554 -0.030 0.000 2.909 178 T HA 0.608 4.957 4.350 -0.001 0.000 0.289 178 T C -0.045 174.631 174.700 -0.041 0.000 1.005 178 T CA -0.699 61.363 62.100 -0.063 0.000 1.084 178 T CB 1.643 70.498 68.868 -0.021 0.000 0.975 178 T HN 0.544 nan 8.240 nan 0.000 0.509 179 M N 3.019 122.577 119.600 -0.069 0.000 2.267 179 M HA 0.391 4.871 4.480 -0.001 0.000 0.289 179 M C -2.410 173.873 176.300 -0.029 0.000 1.043 179 M CA -2.230 53.044 55.300 -0.042 0.000 0.928 179 M CB 2.396 34.952 32.600 -0.073 0.000 1.613 179 M HN 0.296 nan 8.290 nan 0.000 0.450 180 P HA -0.156 nan 4.420 nan 0.000 0.215 180 P C 1.204 178.505 177.300 0.001 0.000 1.153 180 P CA 1.883 64.986 63.100 0.003 0.000 0.853 180 P CB 0.098 31.802 31.700 0.006 0.000 0.788 181 S N -0.813 114.878 115.700 -0.016 0.000 2.382 181 S HA -0.171 4.298 4.470 -0.001 0.000 0.228 181 S C 1.920 176.539 174.600 0.032 0.000 1.027 181 S CA 1.153 59.353 58.200 -0.000 0.000 0.991 181 S CB -1.614 61.572 63.200 -0.023 0.000 0.823 181 S HN 0.020 nan 8.310 nan 0.000 0.469 182 L N 2.018 123.244 121.223 0.006 0.000 2.027 182 L HA 0.005 4.344 4.340 -0.001 0.000 0.206 182 L C 2.547 179.453 176.870 0.059 0.000 1.074 182 L CA 2.163 57.014 54.840 0.019 0.000 0.745 182 L CB -1.325 40.675 42.059 -0.099 0.000 0.898 182 L HN 0.296 nan 8.230 nan 0.000 0.433 183 T N -0.029 114.540 114.554 0.024 0.000 2.684 183 T HA -0.227 4.123 4.350 -0.001 0.000 0.267 183 T C 1.807 176.601 174.700 0.157 0.000 1.036 183 T CA 1.873 64.025 62.100 0.086 0.000 1.148 183 T CB -0.467 68.440 68.868 0.065 0.000 0.863 183 T HN 0.287 nan 8.240 nan 0.000 0.436 184 L N 1.111 122.394 121.223 0.100 0.000 2.042 184 L HA -0.002 4.338 4.340 -0.001 0.000 0.210 184 L C 2.538 179.474 176.870 0.110 0.000 1.076 184 L CA 1.918 56.811 54.840 0.088 0.000 0.749 184 L CB -0.837 41.252 42.059 0.050 0.000 0.893 184 L HN 0.237 nan 8.230 nan 0.000 0.432 185 A N -1.840 121.072 122.820 0.153 0.000 1.929 185 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 185 A C 2.337 180.049 177.584 0.215 0.000 1.176 185 A CA 1.434 53.590 52.037 0.200 0.000 0.628 185 A CB -1.288 17.907 19.000 0.324 0.000 0.816 185 A HN 0.599 nan 8.150 nan 0.000 0.444 186 C N -0.636 118.886 119.300 0.371 0.000 2.446 186 C HA 0.002 4.461 4.460 -0.001 0.000 0.277 186 C C 2.586 177.784 174.990 0.347 0.000 1.275 186 C CA 0.797 60.089 59.018 0.457 0.000 1.727 186 C CB -1.498 26.546 27.740 0.507 0.000 2.010 186 C HN 0.616 nan 8.230 nan 0.000 0.486 187 L N 0.619 122.034 121.223 0.319 0.000 2.079 187 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 187 L C 2.671 179.527 176.870 -0.023 0.000 1.081 187 L CA 1.768 56.654 54.840 0.075 0.000 0.752 187 L CB -1.000 41.090 42.059 0.052 0.000 0.896 187 L HN 0.433 nan 8.230 nan 0.000 0.433 188 T N -0.960 113.583 114.554 -0.018 0.000 2.698 188 T HA -0.184 4.165 4.350 -0.001 0.000 0.260 188 T C 1.884 176.499 174.700 -0.142 0.000 1.044 188 T CA 1.375 63.432 62.100 -0.072 0.000 1.149 188 T CB -0.081 68.753 68.868 -0.057 0.000 0.864 188 T HN 0.056 nan 8.240 nan 0.000 0.419 189 K N 1.417 121.653 120.400 -0.273 0.000 1.984 189 K HA -0.012 4.307 4.320 -0.001 0.000 0.209 189 K C 2.407 178.865 176.600 -0.237 0.000 1.046 189 K CA 1.537 57.577 56.287 -0.411 0.000 0.934 189 K CB -0.450 31.399 32.500 -1.086 0.000 0.717 189 K HN 0.348 nan 8.250 nan 0.000 0.438 190 Q N -0.966 118.746 119.800 -0.148 0.000 2.167 190 Q HA -0.012 4.327 4.340 -0.001 0.000 0.202 190 Q C 2.022 177.990 176.000 -0.053 0.000 0.970 190 Q CA 1.345 57.143 55.803 -0.008 0.000 0.855 190 Q CB -0.137 28.712 28.738 0.185 0.000 0.911 190 Q HN 0.533 nan 8.270 nan 0.000 0.438 191 G N 0.166 108.905 108.800 -0.101 0.000 2.572 191 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.216 191 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.216 191 G C 0.199 175.047 174.900 -0.087 0.000 1.133 191 G CA -0.077 44.948 45.100 -0.126 0.000 0.791 191 G HN 0.359 nan 8.290 nan 0.000 0.538 192 Q N -1.208 118.543 119.800 -0.081 0.000 2.464 192 Q HA -0.152 4.188 4.340 -0.001 0.000 0.304 192 Q C -0.322 175.644 176.000 -0.056 0.000 1.401 192 Q CA 0.404 56.167 55.803 -0.066 0.000 0.806 192 Q CB -2.316 26.392 28.738 -0.050 0.000 1.134 192 Q HN 0.693 nan 8.270 nan 0.000 0.411 193 V N -3.921 115.958 119.914 -0.058 0.000 3.141 193 V HA 0.683 4.802 4.120 -0.001 0.000 0.312 193 V C -0.175 175.896 176.094 -0.039 0.000 1.157 193 V CA -1.214 61.061 62.300 -0.042 0.000 1.041 193 V CB 2.326 34.128 31.823 -0.035 0.000 1.071 193 V HN 0.064 nan 8.190 nan 0.000 0.441 194 D N 1.259 121.643 120.400 -0.026 0.000 2.341 194 D HA 0.274 4.913 4.640 -0.001 0.000 0.245 194 D C 0.899 177.189 176.300 -0.016 0.000 1.106 194 D CA -0.233 53.754 54.000 -0.022 0.000 0.905 194 D CB 1.502 42.294 40.800 -0.014 0.000 1.202 194 D HN 0.630 nan 8.370 nan 0.000 0.426 195 L N 2.784 123.998 121.223 -0.015 0.000 2.051 195 L HA -0.285 4.055 4.340 -0.001 0.000 0.214 195 L C 1.502 178.371 176.870 -0.002 0.000 1.076 195 L CA 1.904 56.740 54.840 -0.007 0.000 0.758 195 L CB -0.611 41.447 42.059 -0.001 0.000 0.890 195 L HN 0.315 nan 8.230 nan 0.000 0.433 196 N N -0.033 118.667 118.700 -0.001 0.000 2.137 196 N HA -0.196 4.543 4.740 -0.001 0.000 0.190 196 N C 1.437 176.953 175.510 0.010 0.000 1.017 196 N CA 1.693 54.745 53.050 0.004 0.000 0.859 196 N CB -0.395 38.094 38.487 0.004 0.000 1.002 196 N HN 0.502 nan 8.380 nan 0.000 0.428 197 D N -0.279 120.128 120.400 0.011 0.000 2.162 197 D HA 0.060 4.699 4.640 -0.001 0.000 0.203 197 D C 1.791 178.105 176.300 0.024 0.000 0.967 197 D CA 0.997 55.014 54.000 0.028 0.000 0.840 197 D CB -0.342 40.470 40.800 0.020 0.000 0.972 197 D HN 0.248 nan 8.370 nan 0.000 0.482 198 A N 0.455 123.278 122.820 0.004 0.000 1.898 198 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 198 A C 2.389 179.964 177.584 -0.014 0.000 1.181 198 A CA 1.024 53.058 52.037 -0.005 0.000 0.620 198 A CB -0.757 18.241 19.000 -0.003 0.000 0.819 198 A HN 0.131 nan 8.150 nan 0.000 0.442 199 V N -0.021 119.887 119.914 -0.009 0.000 2.295 199 V HA -0.321 3.798 4.120 -0.001 0.000 0.246 199 V C 2.635 178.708 176.094 -0.036 0.000 1.049 199 V CA 2.184 64.475 62.300 -0.016 0.000 1.024 199 V CB -0.914 30.905 31.823 -0.007 0.000 0.648 199 V HN 0.615 nan 8.190 nan 0.000 0.447 200 Q N -0.327 119.457 119.800 -0.027 0.000 2.012 200 Q HA -0.342 3.997 4.340 -0.001 0.000 0.211 200 Q C 2.426 178.316 176.000 -0.184 0.000 1.009 200 Q CA 2.441 58.215 55.803 -0.049 0.000 0.866 200 Q CB -0.505 28.255 28.738 0.036 0.000 0.945 200 Q HN 0.678 nan 8.270 nan 0.000 0.414 201 A N 0.626 123.323 122.820 -0.206 0.000 1.883 201 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 201 A C 2.080 179.525 177.584 -0.232 0.000 1.186 201 A CA 1.532 53.357 52.037 -0.353 0.000 0.624 201 A CB -0.804 18.114 19.000 -0.137 0.000 0.822 201 A HN 0.352 nan 8.150 nan 0.000 0.444 202 L N -0.972 120.177 121.223 -0.123 0.000 2.156 202 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 202 L C 2.690 179.515 176.870 -0.075 0.000 1.095 202 L CA 1.473 56.264 54.840 -0.081 0.000 0.770 202 L CB -0.839 41.197 42.059 -0.039 0.000 0.914 202 L HN 0.326 nan 8.230 nan 0.000 0.439 203 T N -0.882 113.624 114.554 -0.080 0.000 2.746 203 T HA -0.174 4.175 4.350 -0.001 0.000 0.267 203 T C 1.457 176.117 174.700 -0.067 0.000 1.039 203 T CA 1.475 63.543 62.100 -0.055 0.000 1.142 203 T CB -0.190 68.651 68.868 -0.045 0.000 0.866 203 T HN 0.278 nan 8.240 nan 0.000 0.444 204 D N 0.740 121.062 120.400 -0.130 0.000 2.144 204 D HA -0.027 4.613 4.640 -0.001 0.000 0.199 204 D C 1.973 178.220 176.300 -0.089 0.000 0.984 204 D CA 0.492 54.416 54.000 -0.128 0.000 0.834 204 D CB -0.384 40.264 40.800 -0.253 0.000 0.955 204 D HN 0.166 nan 8.370 nan 0.000 0.465 205 L N 0.611 121.771 121.223 -0.105 0.000 2.056 205 L HA 0.036 4.375 4.340 -0.001 0.000 0.207 205 L C 2.168 179.014 176.870 -0.040 0.000 1.078 205 L CA 1.900 56.687 54.840 -0.088 0.000 0.749 205 L CB -0.922 41.070 42.059 -0.111 0.000 0.901 205 L HN 0.053 nan 8.230 nan 0.000 0.433 206 G N -0.490 108.307 108.800 -0.006 0.000 2.418 206 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 206 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 206 G C 1.638 176.596 174.900 0.097 0.000 1.158 206 G CA 1.032 46.183 45.100 0.085 0.000 0.771 206 G HN 0.419 nan 8.290 nan 0.000 0.545 207 L N 0.402 121.646 121.223 0.036 0.000 2.013 207 L HA -0.128 4.211 4.340 -0.001 0.000 0.212 207 L C 2.853 179.746 176.870 0.037 0.000 1.073 207 L CA 0.730 55.587 54.840 0.029 0.000 0.753 207 L CB -0.373 41.690 42.059 0.006 0.000 0.890 207 L HN 0.146 nan 8.230 nan 0.000 0.432 208 I N -1.024 119.560 120.570 0.023 0.000 2.264 208 I HA -0.334 3.835 4.170 -0.001 0.000 0.248 208 I C 2.467 178.613 176.117 0.048 0.000 1.111 208 I CA 1.605 62.909 61.300 0.007 0.000 1.382 208 I CB -1.124 36.856 38.000 -0.033 0.000 1.060 208 I HN 0.304 nan 8.210 nan 0.000 0.418 209 Y N 2.489 122.743 120.300 -0.077 0.000 2.497 209 Y HA -0.199 4.350 4.550 -0.002 0.000 0.292 209 Y C 2.737 178.704 175.900 0.111 0.000 1.137 209 Y CA 1.472 59.544 58.100 -0.046 0.000 1.285 209 Y CB -0.707 37.718 38.460 -0.059 0.000 0.991 209 Y HN 0.359 nan 8.280 nan 0.000 0.556 210 T N -3.010 111.598 114.554 0.089 0.000 2.995 210 T HA 0.045 4.394 4.350 -0.001 0.000 0.269 210 T C 1.733 176.556 174.700 0.204 0.000 1.091 210 T CA 0.997 63.141 62.100 0.073 0.000 1.128 210 T CB -0.346 68.545 68.868 0.039 0.000 0.891 210 T HN 0.260 nan 8.240 nan 0.000 0.492 211 A N 0.976 123.872 122.820 0.128 0.000 2.358 211 A HA 0.528 4.847 4.320 -0.001 0.000 0.223 211 A C 0.655 178.065 177.584 -0.291 0.000 1.218 211 A CA 0.065 52.151 52.037 0.083 0.000 0.942 211 A CB 0.356 19.372 19.000 0.027 0.000 1.005 211 A HN 0.745 nan 8.150 nan 0.000 0.514 212 K N -2.450 117.543 120.400 -0.678 0.000 2.711 212 K HA 0.314 4.633 4.320 -0.001 0.000 0.294 212 K C -1.682 174.527 176.600 -0.651 0.000 1.037 212 K CA -0.785 54.800 56.287 -1.169 0.000 0.858 212 K CB 0.483 32.701 32.500 -0.471 0.000 1.521 212 K HN -0.054 nan 8.250 nan 0.000 0.386 213 Y N 2.133 122.126 120.300 -0.512 0.000 2.436 213 Y HA 0.281 4.830 4.550 -0.002 0.000 0.343 213 Y C -2.169 173.677 175.900 -0.090 0.000 1.008 213 Y CA -1.506 56.555 58.100 -0.065 0.000 1.241 213 Y CB 1.014 39.508 38.460 0.056 0.000 1.153 213 Y HN 0.415 nan 8.280 nan 0.000 0.521 214 P HA -0.035 nan 4.420 nan 0.000 0.261 214 P C -1.160 176.110 177.300 -0.049 0.000 1.183 214 P CA 0.310 63.287 63.100 -0.204 0.000 0.761 214 P CB 0.382 31.901 31.700 -0.303 0.000 0.785 215 N N 0.747 119.446 118.700 -0.001 0.000 2.604 215 N HA 0.244 4.983 4.740 -0.001 0.000 0.297 215 N C 0.736 176.254 175.510 0.014 0.000 1.266 215 N CA -0.613 52.461 53.050 0.040 0.000 0.961 215 N CB -0.787 37.721 38.487 0.035 0.000 1.166 215 N HN 0.076 nan 8.380 nan 0.000 0.601 216 T N -1.021 113.545 114.554 0.020 0.000 2.788 216 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 216 T C 1.705 176.407 174.700 0.003 0.000 1.044 216 T CA 1.617 63.724 62.100 0.011 0.000 1.139 216 T CB -0.495 68.382 68.868 0.015 0.000 0.867 216 T HN 0.593 nan 8.240 nan 0.000 0.454 217 S N 0.980 116.681 115.700 0.002 0.000 2.374 217 S HA -0.194 4.275 4.470 -0.001 0.000 0.227 217 S C 1.760 176.356 174.600 -0.007 0.000 1.037 217 S CA 1.461 59.660 58.200 -0.002 0.000 1.024 217 S CB -0.547 62.652 63.200 -0.002 0.000 0.861 217 S HN 0.425 nan 8.310 nan 0.000 0.456 218 D N 0.998 121.390 120.400 -0.014 0.000 2.097 218 D HA -0.079 4.560 4.640 -0.001 0.000 0.197 218 D C 2.001 178.288 176.300 -0.021 0.000 0.984 218 D CA 1.226 55.212 54.000 -0.023 0.000 0.826 218 D CB -0.561 40.212 40.800 -0.044 0.000 0.973 218 D HN 0.476 nan 8.370 nan 0.000 0.460 219 L N 1.104 122.313 121.223 -0.023 0.000 2.046 219 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 219 L C 1.460 178.328 176.870 -0.004 0.000 1.077 219 L CA 1.821 56.650 54.840 -0.018 0.000 0.747 219 L CB -0.326 41.722 42.059 -0.018 0.000 0.896 219 L HN -0.251 nan 8.230 nan 0.000 0.432 220 D N -0.001 120.397 120.400 -0.002 0.000 2.092 220 D HA -0.173 4.466 4.640 -0.001 0.000 0.193 220 D C 2.317 178.619 176.300 0.004 0.000 0.994 220 D CA 1.552 55.552 54.000 0.001 0.000 0.828 220 D CB -0.137 40.663 40.800 -0.000 0.000 0.963 220 D HN 0.335 nan 8.370 nan 0.000 0.450 221 R N -0.116 120.386 120.500 0.005 0.000 2.096 221 R HA -0.058 4.281 4.340 -0.001 0.000 0.235 221 R C 2.463 178.780 176.300 0.028 0.000 1.127 221 R CA 0.629 56.736 56.100 0.010 0.000 0.968 221 R CB -0.410 29.894 30.300 0.006 0.000 0.861 221 R HN 0.257 nan 8.270 nan 0.000 0.440 222 L N -0.180 121.065 121.223 0.036 0.000 2.093 222 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 222 L C 2.218 179.158 176.870 0.116 0.000 1.085 222 L CA 1.285 56.178 54.840 0.087 0.000 0.755 222 L CB -0.411 41.671 42.059 0.037 0.000 0.904 222 L HN 0.156 nan 8.230 nan 0.000 0.435 223 T N -1.109 113.477 114.554 0.053 0.000 2.962 223 T HA -0.165 4.184 4.350 -0.001 0.000 0.270 223 T C 1.802 176.510 174.700 0.013 0.000 1.088 223 T CA 0.871 62.994 62.100 0.038 0.000 1.127 223 T CB -0.096 68.778 68.868 0.010 0.000 0.883 223 T HN 0.406 nan 8.240 nan 0.000 0.493 224 Q N 0.522 120.325 119.800 0.004 0.000 2.167 224 Q HA 0.002 4.341 4.340 -0.001 0.000 0.202 224 Q C 2.462 178.422 176.000 -0.067 0.000 0.970 224 Q CA 1.238 57.027 55.803 -0.024 0.000 0.855 224 Q CB -0.073 28.655 28.738 -0.017 0.000 0.911 224 Q HN 0.382 nan 8.270 nan 0.000 0.438 225 S N -0.828 114.813 115.700 -0.098 0.000 2.497 225 S HA 0.019 4.488 4.470 -0.001 0.000 0.221 225 S C 0.063 174.294 174.600 -0.614 0.000 1.037 225 S CA -0.301 57.709 58.200 -0.316 0.000 0.920 225 S CB 0.354 63.369 63.200 -0.309 0.000 0.800 225 S HN 0.334 nan 8.310 nan 0.000 0.505 226 H N 1.400 120.456 119.070 -0.024 0.000 2.716 226 H HA 0.284 4.839 4.556 -0.001 0.000 0.260 226 H C -2.168 173.139 175.328 -0.035 0.000 1.280 226 H CA -1.537 54.494 56.048 -0.028 0.000 1.506 226 H CB 1.406 31.151 29.762 -0.027 0.000 1.514 226 H HN 0.281 nan 8.280 nan 0.000 0.502 227 P HA -0.190 nan 4.420 nan 0.000 0.216 227 P C 1.753 179.043 177.300 -0.016 0.000 1.150 227 P CA 0.611 63.705 63.100 -0.010 0.000 0.843 227 P CB 0.657 32.339 31.700 -0.029 0.000 0.787 228 I N -0.094 120.469 120.570 -0.011 0.000 2.300 228 I HA -0.229 3.940 4.170 -0.001 0.000 0.252 228 I C 2.166 178.243 176.117 -0.068 0.000 1.119 228 I CA 1.362 62.633 61.300 -0.048 0.000 1.384 228 I CB -0.968 37.011 38.000 -0.036 0.000 1.062 228 I HN -0.173 nan 8.210 nan 0.000 0.426 229 L N 1.052 122.260 121.223 -0.026 0.000 2.456 229 L HA -0.134 4.205 4.340 -0.001 0.000 0.224 229 L C 1.912 178.757 176.870 -0.041 0.000 1.148 229 L CA 0.870 55.691 54.840 -0.033 0.000 0.825 229 L CB -1.219 40.835 42.059 -0.009 0.000 0.937 229 L HN 0.448 nan 8.230 nan 0.000 0.450 230 N N 0.538 119.212 118.700 -0.044 0.000 2.519 230 N HA -0.221 4.518 4.740 -0.001 0.000 0.186 230 N C 1.495 176.964 175.510 -0.069 0.000 1.062 230 N CA 1.377 54.400 53.050 -0.045 0.000 0.910 230 N CB -0.326 38.138 38.487 -0.038 0.000 0.958 230 N HN 0.388 nan 8.380 nan 0.000 0.445 231 M N -0.207 119.317 119.600 -0.128 0.000 2.492 231 M HA 0.148 4.627 4.480 -0.001 0.000 0.262 231 M C 0.101 176.339 176.300 -0.103 0.000 1.090 231 M CA 0.433 55.608 55.300 -0.208 0.000 1.110 231 M CB 0.033 32.335 32.600 -0.497 0.000 1.407 231 M HN 0.009 nan 8.290 nan 0.000 0.470 232 I N 1.253 121.801 120.570 -0.036 0.000 2.379 232 I HA 0.002 4.172 4.170 -0.001 0.000 0.290 232 I C -0.034 176.111 176.117 0.046 0.000 1.063 232 I CA -0.341 60.989 61.300 0.050 0.000 1.351 232 I CB 0.264 38.287 38.000 0.038 0.000 1.410 232 I HN -0.061 nan 8.210 nan 0.000 0.505 233 D N 4.697 125.143 120.400 0.077 0.000 2.313 233 D HA 0.164 4.803 4.640 -0.001 0.000 0.239 233 D C 0.947 177.280 176.300 0.054 0.000 1.142 233 D CA -0.352 53.683 54.000 0.058 0.000 0.847 233 D CB 1.214 42.053 40.800 0.065 0.000 1.082 233 D HN 0.587 nan 8.370 nan 0.000 0.480 234 T N 1.455 116.032 114.554 0.039 0.000 3.044 234 T HA -0.002 4.347 4.350 -0.001 0.000 0.255 234 T C 1.227 175.949 174.700 0.037 0.000 1.073 234 T CA 0.138 62.261 62.100 0.038 0.000 1.125 234 T CB 0.145 69.029 68.868 0.028 0.000 0.908 234 T HN 0.261 nan 8.240 nan 0.000 0.480 235 K N 1.361 121.779 120.400 0.031 0.000 2.522 235 K HA 0.307 4.627 4.320 -0.001 0.000 0.194 235 K C 0.887 177.503 176.600 0.026 0.000 1.026 235 K CA 0.046 56.348 56.287 0.025 0.000 1.119 235 K CB 0.251 32.762 32.500 0.019 0.000 0.856 235 K HN 0.391 nan 8.250 nan 0.000 0.513 236 K N 0.605 121.026 120.400 0.035 0.000 2.959 236 K HA 0.180 4.500 4.320 -0.001 0.000 0.336 236 K C -0.070 176.548 176.600 0.031 0.000 0.984 236 K CA -0.219 56.089 56.287 0.036 0.000 1.325 236 K CB 0.396 32.926 32.500 0.051 0.000 1.390 236 K HN 0.001 nan 8.250 nan 0.000 0.615 237 S N -1.804 113.916 115.700 0.033 0.000 2.586 237 S HA 0.059 4.528 4.470 -0.001 0.000 0.277 237 S C 0.103 174.720 174.600 0.027 0.000 1.131 237 S CA -0.176 58.039 58.200 0.025 0.000 0.848 237 S CB 0.960 64.168 63.200 0.012 0.000 1.091 237 S HN 0.531 nan 8.310 nan 0.000 0.453 238 S N 1.762 117.475 115.700 0.023 0.000 2.442 238 S HA 0.088 4.557 4.470 -0.001 0.000 0.236 238 S C 0.634 175.239 174.600 0.009 0.000 1.007 238 S CA 0.878 59.091 58.200 0.022 0.000 0.965 238 S CB -0.762 62.449 63.200 0.018 0.000 0.773 238 S HN 0.497 nan 8.310 nan 0.000 0.504 239 L N 1.499 122.721 121.223 -0.002 0.000 2.379 239 L HA 0.433 4.772 4.340 -0.001 0.000 0.269 239 L C 1.021 177.877 176.870 -0.024 0.000 1.084 239 L CA -0.406 54.421 54.840 -0.022 0.000 0.802 239 L CB 0.264 42.307 42.059 -0.026 0.000 1.175 239 L HN 0.167 nan 8.230 nan 0.000 0.448 240 N N 0.219 118.882 118.700 -0.060 0.000 2.713 240 N HA -0.224 4.515 4.740 -0.001 0.000 0.251 240 N C -0.592 174.915 175.510 -0.006 0.000 1.117 240 N CA 1.604 54.613 53.050 -0.067 0.000 0.770 240 N CB -0.936 37.523 38.487 -0.047 0.000 1.137 240 N HN 0.645 nan 8.380 nan 0.000 0.566 241 I N -4.526 116.067 120.570 0.038 0.000 3.654 241 I HA 0.768 4.937 4.170 -0.001 0.000 0.278 241 I C 0.667 176.943 176.117 0.265 0.000 1.193 241 I CA -0.462 60.914 61.300 0.127 0.000 1.087 241 I CB 1.699 39.749 38.000 0.083 0.000 1.372 241 I HN 0.119 nan 8.210 nan 0.000 0.507 242 S N -1.178 114.664 115.700 0.237 0.000 2.697 242 S HA 0.574 5.043 4.470 -0.001 0.000 0.289 242 S C 0.660 175.278 174.600 0.031 0.000 1.149 242 S CA -0.257 58.105 58.200 0.271 0.000 0.850 242 S CB 0.862 64.287 63.200 0.376 0.000 1.151 242 S HN 1.040 nan 8.310 nan 0.000 0.491 243 G N -0.545 108.169 108.800 -0.144 0.000 2.559 243 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.216 243 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.216 243 G C 0.403 174.900 174.900 -0.672 0.000 1.126 243 G CA 0.513 45.355 45.100 -0.430 0.000 0.778 243 G HN 0.722 nan 8.290 nan 0.000 0.543 244 Y N 0.210 120.436 120.300 -0.123 0.000 2.466 244 Y HA 0.239 4.788 4.550 -0.002 0.000 0.272 244 Y C 0.690 176.340 175.900 -0.417 0.000 1.169 244 Y CA -0.703 57.264 58.100 -0.222 0.000 1.285 244 Y CB -0.115 38.272 38.460 -0.123 0.000 1.078 244 Y HN 0.110 nan 8.280 nan 0.000 0.523 245 N N -0.300 118.253 118.700 -0.245 0.000 2.456 245 N HA 0.282 5.021 4.740 -0.001 0.000 0.296 245 N C -1.290 174.042 175.510 -0.297 0.000 1.102 245 N CA -0.660 52.236 53.050 -0.256 0.000 0.924 245 N CB 0.644 39.120 38.487 -0.018 0.000 1.186 245 N HN -0.098 nan 8.380 nan 0.000 0.492 246 F N 0.891 120.878 119.950 0.062 0.000 2.660 246 F HA 0.193 4.719 4.527 -0.000 0.000 0.342 246 F C 0.862 176.680 175.800 0.031 0.000 1.195 246 F CA -0.828 57.197 58.000 0.041 0.000 1.300 246 F CB -0.798 38.226 39.000 0.041 0.000 1.616 246 F HN 0.341 nan 8.300 nan 0.000 0.592 247 S N -0.121 115.657 115.700 0.130 0.000 2.584 247 S HA 0.093 4.562 4.470 -0.001 0.000 0.270 247 S C 1.311 175.963 174.600 0.088 0.000 1.346 247 S CA -0.806 57.453 58.200 0.098 0.000 1.018 247 S CB 1.117 64.358 63.200 0.067 0.000 0.899 247 S HN 0.548 nan 8.310 nan 0.000 0.542 248 L N 2.656 123.920 121.223 0.069 0.000 2.079 248 L HA 0.092 4.431 4.340 -0.001 0.000 0.210 248 L C 2.364 179.247 176.870 0.021 0.000 1.081 248 L CA 2.394 57.254 54.840 0.035 0.000 0.752 248 L CB -1.360 40.724 42.059 0.043 0.000 0.896 248 L HN 0.963 nan 8.230 nan 0.000 0.433 249 G N -0.893 107.954 108.800 0.078 0.000 2.469 249 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.219 249 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.219 249 G C 1.608 176.534 174.900 0.044 0.000 1.150 249 G CA 0.979 46.135 45.100 0.093 0.000 0.763 249 G HN 0.661 nan 8.290 nan 0.000 0.561 250 A N 1.153 123.997 122.820 0.041 0.000 1.877 250 A HA 0.234 4.553 4.320 -0.001 0.000 0.216 250 A C 2.858 180.453 177.584 0.019 0.000 1.186 250 A CA 2.526 54.582 52.037 0.031 0.000 0.620 250 A CB -0.920 18.097 19.000 0.028 0.000 0.822 250 A HN 0.883 nan 8.150 nan 0.000 0.443 251 A N -0.792 122.038 122.820 0.016 0.000 1.902 251 A HA 0.014 4.333 4.320 -0.001 0.000 0.217 251 A C 2.232 179.767 177.584 -0.081 0.000 1.181 251 A CA 1.701 53.733 52.037 -0.010 0.000 0.623 251 A CB -0.974 18.022 19.000 -0.007 0.000 0.818 251 A HN 0.396 nan 8.150 nan 0.000 0.443 252 V N 0.383 120.196 119.914 -0.168 0.000 2.392 252 V HA -0.280 3.839 4.120 -0.001 0.000 0.249 252 V C 2.579 178.533 176.094 -0.234 0.000 1.059 252 V CA 2.436 64.515 62.300 -0.368 0.000 1.051 252 V CB -0.563 30.845 31.823 -0.693 0.000 0.658 252 V HN 0.700 nan 8.190 nan 0.000 0.455 253 K N 0.017 120.370 120.400 -0.077 0.000 2.057 253 K HA -0.139 4.180 4.320 -0.001 0.000 0.206 253 K C 2.175 178.804 176.600 0.048 0.000 1.050 253 K CA 1.487 57.802 56.287 0.047 0.000 0.935 253 K CB -0.260 32.298 32.500 0.097 0.000 0.715 253 K HN 0.424 nan 8.250 nan 0.000 0.439 254 A N 0.826 123.658 122.820 0.020 0.000 1.898 254 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 254 A C 2.361 179.955 177.584 0.017 0.000 1.181 254 A CA 1.755 53.805 52.037 0.021 0.000 0.620 254 A CB -1.137 17.875 19.000 0.020 0.000 0.819 254 A HN 0.541 nan 8.150 nan 0.000 0.442 255 G N -0.457 108.343 108.800 0.000 0.000 2.422 255 G HA2 0.007 3.966 3.960 -0.001 0.000 0.218 255 G HA3 0.007 3.966 3.960 -0.001 0.000 0.218 255 G C 1.609 176.543 174.900 0.058 0.000 1.146 255 G CA 1.262 46.365 45.100 0.004 0.000 0.769 255 G HN 0.827 nan 8.290 nan 0.000 0.547 256 A N -0.546 122.343 122.820 0.115 0.000 2.121 256 A HA 0.066 4.385 4.320 -0.001 0.000 0.218 256 A C 2.235 179.868 177.584 0.082 0.000 1.154 256 A CA 1.407 53.543 52.037 0.166 0.000 0.679 256 A CB -0.537 18.649 19.000 0.309 0.000 0.795 256 A HN 0.412 nan 8.150 nan 0.000 0.458 257 C N -0.866 118.467 119.300 0.056 0.000 2.594 257 C HA 0.178 4.637 4.460 -0.001 0.000 0.265 257 C C 2.053 177.054 174.990 0.019 0.000 1.351 257 C CA 0.105 59.142 59.018 0.032 0.000 1.744 257 C CB -0.771 26.979 27.740 0.018 0.000 1.890 257 C HN 0.542 nan 8.230 nan 0.000 0.551 258 M N 0.431 120.043 119.600 0.020 0.000 2.563 258 M HA 0.168 4.647 4.480 -0.001 0.000 0.231 258 M C 1.490 177.797 176.300 0.011 0.000 1.136 258 M CA 0.720 56.026 55.300 0.009 0.000 1.026 258 M CB -0.824 31.776 32.600 0.001 0.000 1.597 258 M HN 0.414 nan 8.290 nan 0.000 0.495 259 L N -0.356 120.878 121.223 0.019 0.000 2.168 259 L HA -0.000 4.339 4.340 -0.001 0.000 0.203 259 L C -0.121 176.758 176.870 0.014 0.000 1.078 259 L CA 0.163 55.013 54.840 0.017 0.000 0.780 259 L CB -0.107 41.964 42.059 0.020 0.000 0.939 259 L HN 0.218 nan 8.230 nan 0.000 0.451 260 D N 1.160 121.570 120.400 0.016 0.000 3.845 260 D HA -0.000 4.639 4.640 -0.001 0.000 0.227 260 D C 0.331 176.640 176.300 0.014 0.000 1.092 260 D CA 1.404 55.414 54.000 0.017 0.000 1.148 260 D CB -0.907 39.901 40.800 0.014 0.000 0.803 260 D HN 0.619 nan 8.370 nan 0.000 0.395 261 G N 0.115 108.924 108.800 0.015 0.000 2.661 261 G HA2 0.428 4.387 3.960 -0.001 0.000 0.685 261 G HA3 0.428 4.387 3.960 -0.001 0.000 0.685 261 G C 0.811 175.713 174.900 0.004 0.000 1.298 261 G CA 0.458 45.563 45.100 0.009 0.000 0.855 261 G HN 1.625 nan 8.290 nan 0.000 0.560 262 G N -0.631 108.167 108.800 -0.003 0.000 2.201 262 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.212 262 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.212 262 G C 0.696 175.578 174.900 -0.030 0.000 0.994 262 G CA 0.895 45.987 45.100 -0.013 0.000 0.644 262 G HN 2.436 nan 8.290 nan 0.000 0.508 263 N N -0.864 117.824 118.700 -0.021 0.000 2.725 263 N HA -0.142 4.597 4.740 -0.001 0.000 0.249 263 N C 0.465 175.943 175.510 -0.053 0.000 1.103 263 N CA 1.603 54.637 53.050 -0.027 0.000 0.707 263 N CB -0.977 37.491 38.487 -0.032 0.000 1.043 263 N HN 0.572 nan 8.380 nan 0.000 0.553 264 M N 0.920 120.487 119.600 -0.054 0.000 2.184 264 M HA 0.108 4.587 4.480 -0.001 0.000 0.351 264 M C 1.928 178.160 176.300 -0.113 0.000 1.395 264 M CA -0.036 55.206 55.300 -0.096 0.000 1.117 264 M CB 0.410 32.978 32.600 -0.053 0.000 1.708 264 M HN 0.118 nan 8.290 nan 0.000 0.468 265 L N 2.019 123.124 121.223 -0.197 0.000 2.129 265 L HA -0.258 4.081 4.340 -0.001 0.000 0.212 265 L C 1.609 178.139 176.870 -0.566 0.000 1.087 265 L CA 1.462 56.102 54.840 -0.332 0.000 0.757 265 L CB -0.513 41.296 42.059 -0.418 0.000 0.896 265 L HN 0.649 nan 8.230 nan 0.000 0.434 266 E N -0.393 119.508 120.200 -0.497 0.000 2.267 266 E HA -0.175 4.174 4.350 -0.001 0.000 0.197 266 E C 1.986 178.605 176.600 0.032 0.000 0.998 266 E CA 1.616 57.856 56.400 -0.267 0.000 0.830 266 E CB -0.292 29.393 29.700 -0.025 0.000 0.751 266 E HN 0.547 nan 8.360 nan 0.000 0.491 267 T N -1.949 112.624 114.554 0.032 0.000 3.129 267 T HA 0.167 4.516 4.350 -0.001 0.000 0.251 267 T C 0.746 175.579 174.700 0.223 0.000 1.117 267 T CA -0.266 61.917 62.100 0.138 0.000 1.034 267 T CB -0.316 68.609 68.868 0.095 0.000 0.968 267 T HN -0.052 nan 8.240 nan 0.000 0.526 268 I N 2.023 122.708 120.570 0.192 0.000 2.692 268 I HA 0.207 4.376 4.170 -0.001 0.000 0.284 268 I C 0.509 176.739 176.117 0.189 0.000 1.159 268 I CA -0.179 61.237 61.300 0.194 0.000 1.423 268 I CB 0.642 38.743 38.000 0.168 0.000 1.380 268 I HN 0.123 nan 8.210 nan 0.000 0.580 269 K N 5.656 126.097 120.400 0.069 0.000 2.207 269 K HA 0.656 4.976 4.320 -0.001 0.000 0.255 269 K C -1.471 175.036 176.600 -0.155 0.000 0.941 269 K CA -0.545 55.630 56.287 -0.188 0.000 0.825 269 K CB 1.871 34.202 32.500 -0.281 0.000 1.119 269 K HN 0.399 nan 8.250 nan 0.000 0.430 270 V N 2.135 121.905 119.914 -0.241 0.000 2.769 270 V HA 0.474 4.593 4.120 -0.001 0.000 0.312 270 V C -0.418 175.556 176.094 -0.201 0.000 1.061 270 V CA -0.745 61.443 62.300 -0.187 0.000 0.931 270 V CB 1.688 33.415 31.823 -0.161 0.000 1.010 270 V HN 1.003 nan 8.190 nan 0.000 0.433 271 S N 2.835 118.451 115.700 -0.140 0.000 2.661 271 S HA 0.631 5.100 4.470 -0.001 0.000 0.285 271 S C -2.593 171.954 174.600 -0.088 0.000 1.138 271 S CA -1.601 56.527 58.200 -0.119 0.000 0.855 271 S CB 2.204 65.347 63.200 -0.095 0.000 1.136 271 S HN 0.394 nan 8.310 nan 0.000 0.484 272 P HA 0.003 nan 4.420 nan 0.000 0.225 272 P C 1.125 178.400 177.300 -0.041 0.000 1.148 272 P CA 0.928 63.994 63.100 -0.057 0.000 0.779 272 P CB 0.068 31.739 31.700 -0.048 0.000 0.780 273 Q N -0.985 118.795 119.800 -0.033 0.000 2.167 273 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 273 Q C 1.689 177.690 176.000 0.002 0.000 0.970 273 Q CA 1.875 57.671 55.803 -0.012 0.000 0.855 273 Q CB -1.045 27.691 28.738 -0.003 0.000 0.911 273 Q HN 0.333 nan 8.270 nan 0.000 0.438 274 T N -4.105 110.442 114.554 -0.012 0.000 3.043 274 T HA 0.231 4.580 4.350 -0.001 0.000 0.272 274 T C 1.438 176.077 174.700 -0.102 0.000 0.990 274 T CA -0.197 61.903 62.100 0.001 0.000 0.897 274 T CB -0.031 68.874 68.868 0.061 0.000 1.111 274 T HN 0.059 nan 8.240 nan 0.000 0.529 275 M N 1.856 121.396 119.600 -0.100 0.000 2.108 275 M HA -0.129 4.350 4.480 -0.001 0.000 0.261 275 M C 1.121 177.360 176.300 -0.103 0.000 1.066 275 M CA 2.031 57.258 55.300 -0.122 0.000 1.107 275 M CB -0.295 32.247 32.600 -0.097 0.000 1.356 275 M HN 0.083 nan 8.290 nan 0.000 0.406 276 D N -0.051 120.312 120.400 -0.062 0.000 2.144 276 D HA -0.102 4.537 4.640 -0.001 0.000 0.199 276 D C 1.844 178.124 176.300 -0.034 0.000 0.984 276 D CA 1.629 55.605 54.000 -0.040 0.000 0.834 276 D CB -0.648 40.140 40.800 -0.020 0.000 0.955 276 D HN 0.572 nan 8.370 nan 0.000 0.465 277 G N 0.419 109.205 108.800 -0.024 0.000 2.394 277 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.215 277 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.215 277 G C 1.777 176.662 174.900 -0.025 0.000 1.165 277 G CA 0.216 45.336 45.100 0.033 0.000 0.784 277 G HN 0.242 nan 8.290 nan 0.000 0.535 278 I N 0.479 120.899 120.570 -0.250 0.000 2.127 278 I HA -0.198 3.971 4.170 -0.001 0.000 0.241 278 I C 2.746 178.785 176.117 -0.130 0.000 1.075 278 I CA 0.929 62.004 61.300 -0.374 0.000 1.334 278 I CB -0.263 37.406 38.000 -0.551 0.000 1.040 278 I HN 0.113 nan 8.210 nan 0.000 0.405 279 L N 0.377 121.545 121.223 -0.092 0.000 2.079 279 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 279 L C 2.573 179.441 176.870 -0.003 0.000 1.081 279 L CA 1.351 56.173 54.840 -0.029 0.000 0.752 279 L CB -0.551 41.492 42.059 -0.027 0.000 0.896 279 L HN 0.193 nan 8.230 nan 0.000 0.433 280 K N -0.145 120.251 120.400 -0.006 0.000 2.057 280 K HA -0.130 4.189 4.320 -0.001 0.000 0.207 280 K C 2.200 178.807 176.600 0.012 0.000 1.049 280 K CA 1.645 57.936 56.287 0.007 0.000 0.931 280 K CB -0.166 32.343 32.500 0.014 0.000 0.714 280 K HN 0.044 nan 8.250 nan 0.000 0.440 281 S N 0.243 115.960 115.700 0.028 0.000 2.368 281 S HA -0.022 4.447 4.470 -0.001 0.000 0.224 281 S C 1.791 176.400 174.600 0.014 0.000 1.029 281 S CA 1.280 59.505 58.200 0.041 0.000 0.988 281 S CB -0.290 62.973 63.200 0.105 0.000 0.838 281 S HN 0.278 nan 8.310 nan 0.000 0.462 282 I N 1.453 122.034 120.570 0.018 0.000 2.163 282 I HA -0.221 3.949 4.170 -0.001 0.000 0.243 282 I C 2.037 178.132 176.117 -0.037 0.000 1.085 282 I CA 1.208 62.522 61.300 0.023 0.000 1.347 282 I CB -0.452 37.601 38.000 0.089 0.000 1.044 282 I HN 0.248 nan 8.210 nan 0.000 0.408 283 L N 0.701 121.912 121.223 -0.020 0.000 2.079 283 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 283 L C 2.645 179.463 176.870 -0.086 0.000 1.081 283 L CA 1.457 56.264 54.840 -0.055 0.000 0.752 283 L CB -0.639 41.411 42.059 -0.015 0.000 0.896 283 L HN 0.286 nan 8.230 nan 0.000 0.433 284 K N 0.420 120.785 120.400 -0.059 0.000 2.032 284 K HA -0.171 4.149 4.320 -0.001 0.000 0.209 284 K C 1.949 178.490 176.600 -0.098 0.000 1.048 284 K CA 1.753 58.003 56.287 -0.062 0.000 0.927 284 K CB -0.118 32.363 32.500 -0.031 0.000 0.712 284 K HN 0.068 nan 8.250 nan 0.000 0.441 285 V N 1.915 121.760 119.914 -0.114 0.000 2.407 285 V HA -0.212 3.907 4.120 -0.001 0.000 0.248 285 V C 2.513 178.438 176.094 -0.281 0.000 1.055 285 V CA 1.963 64.165 62.300 -0.163 0.000 1.049 285 V CB -0.547 31.193 31.823 -0.139 0.000 0.662 285 V HN 0.437 nan 8.190 nan 0.000 0.455 286 K N 0.330 120.524 120.400 -0.343 0.000 2.057 286 K HA -0.240 4.079 4.320 -0.001 0.000 0.207 286 K C 2.359 178.759 176.600 -0.333 0.000 1.049 286 K CA 1.513 57.503 56.287 -0.495 0.000 0.931 286 K CB -0.137 32.031 32.500 -0.553 0.000 0.714 286 K HN 0.263 nan 8.250 nan 0.000 0.440 287 K N 0.372 120.645 120.400 -0.212 0.000 2.155 287 K HA -0.035 4.284 4.320 -0.001 0.000 0.203 287 K C 1.797 178.325 176.600 -0.120 0.000 1.052 287 K CA 1.086 57.290 56.287 -0.138 0.000 0.948 287 K CB -0.006 32.438 32.500 -0.094 0.000 0.728 287 K HN 0.205 nan 8.250 nan 0.000 0.448 288 A N 0.719 123.461 122.820 -0.129 0.000 2.014 288 A HA 0.007 4.326 4.320 -0.001 0.000 0.218 288 A C 1.892 179.418 177.584 -0.097 0.000 1.163 288 A CA 0.876 52.855 52.037 -0.096 0.000 0.652 288 A CB -0.030 18.919 19.000 -0.085 0.000 0.808 288 A HN 0.305 nan 8.150 nan 0.000 0.449 289 L N -2.064 119.058 121.223 -0.168 0.000 2.920 289 L HA 0.276 4.615 4.340 -0.001 0.000 0.257 289 L C 1.256 178.042 176.870 -0.140 0.000 1.150 289 L CA 0.339 55.085 54.840 -0.156 0.000 0.959 289 L CB 0.210 42.088 42.059 -0.301 0.000 1.321 289 L HN 0.488 nan 8.230 nan 0.000 0.555 290 G N 2.042 110.738 108.800 -0.173 0.000 2.350 290 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.298 290 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.298 290 G C 0.186 174.996 174.900 -0.149 0.000 1.037 290 G CA 0.142 45.186 45.100 -0.094 0.000 1.074 290 G HN 0.221 nan 8.290 nan 0.000 0.511 291 M N -0.825 118.386 119.600 -0.649 0.000 2.226 291 M HA 0.669 5.148 4.480 -0.001 0.000 0.324 291 M C 0.638 176.726 176.300 -0.353 0.000 1.112 291 M CA 0.137 54.742 55.300 -1.158 0.000 1.176 291 M CB 0.521 32.093 32.600 -1.714 0.000 1.430 291 M HN 0.528 nan 8.290 nan 0.000 0.462 292 F N -0.897 119.017 119.950 -0.059 0.000 2.686 292 F HA 0.675 5.201 4.527 -0.001 0.000 0.311 292 F C -1.239 174.825 175.800 0.439 0.000 1.128 292 F CA -1.623 56.498 58.000 0.202 0.000 0.946 292 F CB 0.684 39.779 39.000 0.159 0.000 1.336 292 F HN 0.189 nan 8.300 nan 0.000 0.457 293 I N 2.078 122.945 120.570 0.494 0.000 2.441 293 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 293 I C 0.607 177.003 176.117 0.465 0.000 1.049 293 I CA -0.025 61.462 61.300 0.313 0.000 1.381 293 I CB 0.931 39.038 38.000 0.177 0.000 1.409 293 I HN 0.791 nan 8.210 nan 0.000 0.523 294 S N 4.091 120.026 115.700 0.392 0.000 2.614 294 S HA 0.115 4.584 4.470 -0.001 0.000 0.265 294 S C 0.745 175.492 174.600 0.246 0.000 1.303 294 S CA -0.459 57.995 58.200 0.424 0.000 1.000 294 S CB 0.675 64.076 63.200 0.335 0.000 0.935 294 S HN 0.702 nan 8.310 nan 0.000 0.551 295 D N 1.303 121.828 120.400 0.208 0.000 2.388 295 D HA 0.105 4.744 4.640 -0.001 0.000 0.221 295 D C -0.235 176.137 176.300 0.120 0.000 1.133 295 D CA -0.156 53.942 54.000 0.164 0.000 0.831 295 D CB -0.412 40.520 40.800 0.220 0.000 0.962 295 D HN 0.324 nan 8.370 nan 0.000 0.502 296 T N 2.376 116.997 114.554 0.113 0.000 2.799 296 T HA 0.433 4.782 4.350 -0.001 0.000 0.286 296 T C -2.544 172.188 174.700 0.054 0.000 0.973 296 T CA -1.301 60.844 62.100 0.076 0.000 1.035 296 T CB 1.841 70.754 68.868 0.076 0.000 0.932 296 T HN 0.016 nan 8.240 nan 0.000 0.469 297 P HA 0.531 nan 4.420 nan 0.000 0.272 297 P C 0.671 177.978 177.300 0.012 0.000 1.230 297 P CA 0.343 63.452 63.100 0.015 0.000 0.788 297 P CB 0.663 32.365 31.700 0.003 0.000 0.949 298 G N 0.692 109.494 108.800 0.002 0.000 2.250 298 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.189 298 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.189 298 G C -1.112 173.783 174.900 -0.009 0.000 1.298 298 G CA -0.666 44.431 45.100 -0.005 0.000 1.246 298 G HN 0.491 nan 8.290 nan 0.000 0.513 299 E N 0.773 120.966 120.200 -0.011 0.000 2.366 299 E HA 0.480 4.829 4.350 -0.001 0.000 0.266 299 E C 0.283 176.876 176.600 -0.012 0.000 1.051 299 E CA -0.151 56.239 56.400 -0.017 0.000 0.884 299 E CB 0.701 30.385 29.700 -0.027 0.000 1.006 299 E HN 0.390 nan 8.360 nan 0.000 0.417 300 R N 2.128 122.622 120.500 -0.010 0.000 2.297 300 R HA 0.117 4.457 4.340 -0.001 0.000 0.308 300 R C -0.027 176.277 176.300 0.007 0.000 1.029 300 R CA -0.687 55.417 56.100 0.007 0.000 0.929 300 R CB 0.415 30.724 30.300 0.015 0.000 1.046 300 R HN 0.550 nan 8.270 nan 0.000 0.461 301 N N 3.255 121.962 118.700 0.012 0.000 2.415 301 N HA 0.044 4.783 4.740 -0.001 0.000 0.248 301 N C -2.043 173.550 175.510 0.138 0.000 1.271 301 N CA -1.207 51.850 53.050 0.011 0.000 0.913 301 N CB 0.259 38.706 38.487 -0.067 0.000 1.129 301 N HN 0.143 nan 8.380 nan 0.000 0.444 302 P HA -0.226 nan 4.420 nan 0.000 0.218 302 P C 0.802 178.308 177.300 0.344 0.000 1.152 302 P CA 1.451 64.730 63.100 0.298 0.000 0.857 302 P CB -0.162 31.754 31.700 0.359 0.000 0.787 303 Y N 0.713 121.166 120.300 0.255 0.000 2.206 303 Y HA -0.083 4.466 4.550 -0.001 0.000 0.292 303 Y C 2.099 178.061 175.900 0.104 0.000 1.123 303 Y CA 1.349 59.525 58.100 0.127 0.000 1.142 303 Y CB -0.868 37.592 38.460 0.000 0.000 1.006 303 Y HN -0.044 nan 8.280 nan 0.000 0.518 304 E N 0.071 120.248 120.200 -0.037 0.000 2.114 304 E HA -0.305 4.045 4.350 -0.001 0.000 0.199 304 E C 1.933 178.517 176.600 -0.027 0.000 1.008 304 E CA 1.588 57.922 56.400 -0.109 0.000 0.810 304 E CB -0.311 29.395 29.700 0.010 0.000 0.739 304 E HN 0.460 nan 8.360 nan 0.000 0.456 305 N N 0.952 119.681 118.700 0.048 0.000 2.062 305 N HA -0.132 4.607 4.740 -0.001 0.000 0.191 305 N C 1.757 177.272 175.510 0.007 0.000 1.042 305 N CA 1.008 54.093 53.050 0.058 0.000 0.845 305 N CB -0.172 38.387 38.487 0.121 0.000 1.024 305 N HN 0.127 nan 8.380 nan 0.000 0.424 306 I N -0.308 120.305 120.570 0.071 0.000 2.286 306 I HA -0.223 3.946 4.170 -0.001 0.000 0.248 306 I C 1.963 178.059 176.117 -0.034 0.000 1.115 306 I CA 0.823 62.157 61.300 0.057 0.000 1.392 306 I CB -0.079 38.060 38.000 0.232 0.000 1.065 306 I HN 0.245 nan 8.210 nan 0.000 0.418 307 L N 0.147 121.318 121.223 -0.086 0.000 1.994 307 L HA -0.278 4.061 4.340 -0.001 0.000 0.208 307 L C 2.330 179.128 176.870 -0.121 0.000 1.071 307 L CA 2.010 56.763 54.840 -0.146 0.000 0.745 307 L CB -1.155 40.699 42.059 -0.341 0.000 0.892 307 L HN 0.293 nan 8.230 nan 0.000 0.431 308 Y N 0.388 120.617 120.300 -0.118 0.000 2.081 308 Y HA -0.358 4.191 4.550 -0.002 0.000 0.280 308 Y C 2.566 178.400 175.900 -0.110 0.000 1.163 308 Y CA 2.441 60.495 58.100 -0.076 0.000 1.135 308 Y CB -0.063 38.372 38.460 -0.043 0.000 0.970 308 Y HN 0.196 nan 8.280 nan 0.000 0.498 309 K N -0.232 120.176 120.400 0.013 0.000 2.025 309 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 309 K C 2.001 178.522 176.600 -0.132 0.000 1.049 309 K CA 1.882 58.118 56.287 -0.084 0.000 0.933 309 K CB -0.280 32.029 32.500 -0.319 0.000 0.714 309 K HN 0.324 nan 8.250 nan 0.000 0.438 310 I N 0.526 121.016 120.570 -0.134 0.000 2.394 310 I HA -0.309 3.860 4.170 -0.001 0.000 0.251 310 I C 2.077 178.108 176.117 -0.143 0.000 1.136 310 I CA 0.834 62.066 61.300 -0.114 0.000 1.425 310 I CB -0.110 37.840 38.000 -0.083 0.000 1.079 310 I HN 0.251 nan 8.210 nan 0.000 0.425 311 C N -0.069 119.115 119.300 -0.194 0.000 2.448 311 C HA -0.039 4.420 4.460 -0.001 0.000 0.280 311 C C 2.632 177.458 174.990 -0.274 0.000 1.398 311 C CA -0.015 58.866 59.018 -0.228 0.000 1.774 311 C CB -0.804 26.784 27.740 -0.253 0.000 1.888 311 C HN 0.482 nan 8.230 nan 0.000 0.519 312 L N 0.680 121.721 121.223 -0.304 0.000 2.079 312 L HA 0.019 4.358 4.340 -0.001 0.000 0.210 312 L C 0.896 177.672 176.870 -0.156 0.000 1.081 312 L CA 1.809 56.502 54.840 -0.246 0.000 0.752 312 L CB -0.150 41.835 42.059 -0.123 0.000 0.896 312 L HN 0.291 nan 8.230 nan 0.000 0.433 313 S N -2.235 113.390 115.700 -0.126 0.000 2.603 313 S HA 0.512 4.981 4.470 -0.001 0.000 0.274 313 S C 0.688 175.228 174.600 -0.100 0.000 1.168 313 S CA -0.338 57.802 58.200 -0.099 0.000 0.963 313 S CB 1.218 64.378 63.200 -0.068 0.000 1.078 313 S HN 0.280 nan 8.310 nan 0.000 0.477 314 G N 1.872 110.615 108.800 -0.096 0.000 2.625 314 G HA2 0.056 4.015 3.960 -0.001 0.000 0.214 314 G HA3 0.056 4.015 3.960 -0.001 0.000 0.214 314 G C 0.080 174.915 174.900 -0.108 0.000 1.132 314 G CA 0.453 45.496 45.100 -0.096 0.000 0.782 314 G HN 0.622 nan 8.290 nan 0.000 0.538 315 D N -0.757 119.576 120.400 -0.111 0.000 2.386 315 D HA 0.513 5.152 4.640 -0.001 0.000 0.247 315 D C 0.228 176.427 176.300 -0.169 0.000 1.336 315 D CA 0.386 54.299 54.000 -0.145 0.000 0.976 315 D CB 0.879 41.613 40.800 -0.111 0.000 1.257 315 D HN 0.256 nan 8.370 nan 0.000 0.570 316 G N 1.938 110.570 108.800 -0.280 0.000 2.344 316 G HA2 0.124 4.083 3.960 -0.001 0.000 0.282 316 G HA3 0.124 4.083 3.960 -0.001 0.000 0.282 316 G C -1.610 173.036 174.900 -0.424 0.000 1.281 316 G CA -0.864 44.039 45.100 -0.327 0.000 0.877 316 G HN 0.147 nan 8.290 nan 0.000 0.494 317 W N 1.196 122.520 121.300 0.040 0.000 2.322 317 W HA 0.395 5.054 4.660 -0.003 0.000 0.321 317 W C -2.131 174.435 176.519 0.078 0.000 0.991 317 W CA -1.418 55.971 57.345 0.074 0.000 1.448 317 W CB 1.819 31.325 29.460 0.078 0.000 1.239 317 W HN 0.341 nan 8.180 nan 0.000 0.399 318 P HA -0.150 nan 4.420 nan 0.000 0.223 318 P C 1.063 178.414 177.300 0.084 0.000 1.151 318 P CA 1.396 64.552 63.100 0.093 0.000 0.787 318 P CB 0.197 31.887 31.700 -0.017 0.000 0.788 319 Y N -0.160 120.233 120.300 0.155 0.000 2.365 319 Y HA 0.014 4.563 4.550 -0.001 0.000 0.293 319 Y C 1.901 177.873 175.900 0.119 0.000 1.119 319 Y CA 0.709 58.891 58.100 0.136 0.000 1.203 319 Y CB -0.209 38.336 38.460 0.143 0.000 1.026 319 Y HN -0.073 nan 8.280 nan 0.000 0.549 320 I N -3.892 116.847 120.570 0.280 0.000 4.442 320 I HA 0.505 4.674 4.170 -0.001 0.000 0.331 320 I C 0.517 176.681 176.117 0.079 0.000 1.364 320 I CA -1.030 60.364 61.300 0.156 0.000 1.207 320 I CB -0.505 37.563 38.000 0.113 0.000 1.298 320 I HN -0.170 nan 8.210 nan 0.000 0.463 321 A N 0.883 123.794 122.820 0.151 0.000 2.351 321 A HA 0.652 4.971 4.320 -0.001 0.000 0.257 321 A C 0.490 178.113 177.584 0.064 0.000 1.087 321 A CA 0.037 52.148 52.037 0.123 0.000 0.798 321 A CB 0.151 19.341 19.000 0.316 0.000 1.033 321 A HN 0.332 nan 8.150 nan 0.000 0.488 322 S N -0.300 115.417 115.700 0.028 0.000 2.546 322 S HA 0.150 4.619 4.470 -0.001 0.000 0.290 322 S C 0.954 175.574 174.600 0.033 0.000 1.290 322 S CA 0.113 58.319 58.200 0.011 0.000 1.069 322 S CB -0.073 63.123 63.200 -0.005 0.000 0.846 322 S HN 0.632 nan 8.310 nan 0.000 0.495 323 R N 1.452 121.959 120.500 0.012 0.000 2.509 323 R HA 0.103 4.442 4.340 -0.001 0.000 0.297 323 R C 1.917 178.208 176.300 -0.014 0.000 0.951 323 R CA 0.629 56.736 56.100 0.012 0.000 1.103 323 R CB 0.179 30.491 30.300 0.020 0.000 1.283 323 R HN 0.817 nan 8.270 nan 0.000 0.534 324 T N -2.806 111.730 114.554 -0.030 0.000 3.007 324 T HA -0.005 4.344 4.350 -0.001 0.000 0.270 324 T C 1.743 176.413 174.700 -0.049 0.000 1.107 324 T CA 1.183 63.251 62.100 -0.055 0.000 1.118 324 T CB 0.071 68.898 68.868 -0.069 0.000 0.889 324 T HN -0.100 nan 8.240 nan 0.000 0.506 325 S N 0.224 115.905 115.700 -0.031 0.000 2.501 325 S HA 0.323 4.793 4.470 -0.001 0.000 0.220 325 S C 0.766 175.347 174.600 -0.032 0.000 0.997 325 S CA -0.316 57.866 58.200 -0.029 0.000 0.919 325 S CB -0.241 62.949 63.200 -0.017 0.000 0.778 325 S HN 0.450 nan 8.310 nan 0.000 0.523 326 I N 3.766 124.318 120.570 -0.031 0.000 2.598 326 I HA 0.064 4.233 4.170 -0.001 0.000 0.284 326 I C 1.105 177.193 176.117 -0.049 0.000 1.140 326 I CA 0.329 61.607 61.300 -0.038 0.000 1.420 326 I CB 0.092 38.071 38.000 -0.035 0.000 1.387 326 I HN 0.203 nan 8.210 nan 0.000 0.553 327 T N 2.313 116.834 114.554 -0.056 0.000 2.927 327 T HA 0.739 5.089 4.350 -0.001 0.000 0.281 327 T C 0.264 174.910 174.700 -0.089 0.000 0.998 327 T CA -0.001 62.061 62.100 -0.064 0.000 1.019 327 T CB 1.863 70.698 68.868 -0.055 0.000 1.061 327 T HN 1.198 nan 8.240 nan 0.000 0.518 328 G N 1.288 110.024 108.800 -0.107 0.000 2.712 328 G HA2 0.035 3.994 3.960 -0.001 0.000 0.686 328 G HA3 0.035 3.994 3.960 -0.001 0.000 0.686 328 G C -0.804 173.945 174.900 -0.252 0.000 1.321 328 G CA -1.085 43.914 45.100 -0.169 0.000 0.813 328 G HN 0.829 nan 8.290 nan 0.000 0.599 329 R N 0.834 121.063 120.500 -0.451 0.000 2.500 329 R HA 0.731 5.071 4.340 -0.001 0.000 0.277 329 R C 1.810 177.639 176.300 -0.785 0.000 1.026 329 R CA -0.063 55.565 56.100 -0.787 0.000 1.058 329 R CB 0.612 29.869 30.300 -1.737 0.000 1.078 329 R HN 1.257 nan 8.270 nan 0.000 0.509 330 A N 1.933 124.249 122.820 -0.840 0.000 1.917 330 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 330 A C 1.702 179.033 177.584 -0.422 0.000 1.182 330 A CA 2.029 53.609 52.037 -0.761 0.000 0.633 330 A CB -0.825 17.335 19.000 -1.399 0.000 0.819 330 A HN 0.908 nan 8.150 nan 0.000 0.448 331 W N -0.283 120.901 121.300 -0.193 0.000 2.611 331 W HA 0.170 4.830 4.660 0.000 0.000 0.251 331 W C 1.270 177.751 176.519 -0.064 0.000 1.265 331 W CA 0.874 58.160 57.345 -0.099 0.000 1.295 331 W CB -0.326 29.109 29.460 -0.040 0.000 1.129 331 W HN 0.373 nan 8.180 nan 0.000 0.630 332 E N 0.570 120.578 120.200 -0.319 0.000 2.127 332 E HA -0.092 4.257 4.350 -0.001 0.000 0.191 332 E C 1.847 178.368 176.600 -0.132 0.000 0.964 332 E CA 0.804 57.111 56.400 -0.155 0.000 0.832 332 E CB -0.207 29.365 29.700 -0.215 0.000 0.790 332 E HN 0.112 nan 8.360 nan 0.000 0.465 333 N N 0.011 118.593 118.700 -0.197 0.000 2.457 333 N HA -0.018 4.721 4.740 -0.001 0.000 0.180 333 N C -0.345 175.095 175.510 -0.117 0.000 1.050 333 N CA 0.762 53.721 53.050 -0.151 0.000 0.906 333 N CB 0.563 38.945 38.487 -0.176 0.000 0.968 333 N HN -0.054 nan 8.380 nan 0.000 0.445 334 T N 0.947 115.436 114.554 -0.109 0.000 2.906 334 T HA 0.448 4.797 4.350 -0.001 0.000 0.302 334 T C -0.343 174.337 174.700 -0.033 0.000 1.002 334 T CA -0.702 61.352 62.100 -0.077 0.000 0.988 334 T CB 1.818 70.627 68.868 -0.098 0.000 0.972 334 T HN -0.072 nan 8.240 nan 0.000 0.447 335 V N 1.335 121.237 119.914 -0.020 0.000 2.864 335 V HA 0.913 5.033 4.120 -0.001 0.000 0.314 335 V C -0.420 175.674 176.094 0.000 0.000 1.073 335 V CA -0.927 61.375 62.300 0.003 0.000 0.956 335 V CB 1.839 33.668 31.823 0.010 0.000 1.023 335 V HN 0.520 nan 8.190 nan 0.000 0.435 336 V N 2.513 122.433 119.914 0.010 0.000 2.472 336 V HA 0.609 4.729 4.120 -0.001 0.000 0.290 336 V C -0.602 175.496 176.094 0.007 0.000 1.037 336 V CA -0.005 62.298 62.300 0.006 0.000 0.908 336 V CB 1.413 33.242 31.823 0.010 0.000 0.985 336 V HN 1.103 nan 8.190 nan 0.000 0.454 337 D N 3.431 123.832 120.400 0.003 0.000 2.780 337 D HA 0.739 5.378 4.640 -0.001 0.000 0.242 337 D C -1.456 174.845 176.300 0.001 0.000 1.135 337 D CA -0.315 53.686 54.000 0.002 0.000 0.859 337 D CB 2.105 42.905 40.800 0.000 0.000 1.530 337 D HN 0.408 nan 8.370 nan 0.000 0.493 338 L N 1.908 123.132 121.223 0.002 0.000 2.845 338 L HA 0.503 4.843 4.340 -0.001 0.000 0.256 338 L C -1.819 175.051 176.870 0.001 0.000 0.968 338 L CA -0.312 54.528 54.840 0.001 0.000 0.944 338 L CB 1.770 43.829 42.059 0.001 0.000 1.494 338 L HN 0.393 nan 8.230 nan 0.000 0.419 365 L N 1.726 122.920 121.223 -0.048 0.000 2.417 365 L HA 0.480 4.819 4.340 -0.001 0.000 0.268 365 L C 1.622 178.475 176.870 -0.028 0.000 1.158 365 L CA -0.366 54.443 54.840 -0.052 0.000 0.819 365 L CB 0.321 42.332 42.059 -0.081 0.000 1.112 365 L HN 0.887 nan 8.230 nan 0.000 0.458 366 T N -1.377 113.165 114.554 -0.020 0.000 2.813 366 T HA 0.071 4.421 4.350 -0.001 0.000 0.297 366 T C 1.164 175.884 174.700 0.033 0.000 1.036 366 T CA -0.145 61.966 62.100 0.018 0.000 1.044 366 T CB 0.378 69.257 68.868 0.018 0.000 0.993 366 T HN 0.517 nan 8.240 nan 0.000 0.535 367 Y N 1.325 121.605 120.300 -0.033 0.000 2.207 367 Y HA -0.158 4.391 4.550 -0.001 0.000 0.287 367 Y C 2.651 178.530 175.900 -0.035 0.000 1.156 367 Y CA 2.129 60.210 58.100 -0.031 0.000 1.182 367 Y CB -0.694 37.752 38.460 -0.023 0.000 0.979 367 Y HN 0.689 nan 8.280 nan 0.000 0.521 368 S N 0.099 115.825 115.700 0.043 0.000 2.382 368 S HA -0.234 4.236 4.470 -0.001 0.000 0.228 368 S C 1.790 176.308 174.600 -0.137 0.000 1.027 368 S CA 1.580 59.750 58.200 -0.050 0.000 0.991 368 S CB -0.285 62.925 63.200 0.016 0.000 0.823 368 S HN 0.610 nan 8.310 nan 0.000 0.469 369 Q N 0.331 120.063 119.800 -0.114 0.000 2.123 369 Q HA 0.053 4.393 4.340 -0.001 0.000 0.199 369 Q C 2.270 178.177 176.000 -0.154 0.000 0.966 369 Q CA 0.830 56.557 55.803 -0.126 0.000 0.845 369 Q CB -0.278 28.402 28.738 -0.097 0.000 0.907 369 Q HN 0.420 nan 8.270 nan 0.000 0.439 370 L N 0.313 121.429 121.223 -0.178 0.000 2.012 370 L HA -0.229 4.110 4.340 -0.001 0.000 0.210 370 L C 2.211 178.942 176.870 -0.231 0.000 1.073 370 L CA 1.584 56.306 54.840 -0.196 0.000 0.748 370 L CB -0.160 41.778 42.059 -0.201 0.000 0.891 370 L HN 0.271 nan 8.230 nan 0.000 0.431 371 M N -1.304 118.096 119.600 -0.335 0.000 2.080 371 M HA -0.241 4.238 4.480 -0.001 0.000 0.260 371 M C 2.190 178.384 176.300 -0.177 0.000 1.068 371 M CA 2.431 57.553 55.300 -0.296 0.000 1.109 371 M CB -0.737 31.641 32.600 -0.370 0.000 1.342 371 M HN 0.326 nan 8.290 nan 0.000 0.405 372 T N 1.308 115.765 114.554 -0.161 0.000 2.665 372 T HA -0.208 4.142 4.350 -0.001 0.000 0.268 372 T C 1.675 176.312 174.700 -0.104 0.000 1.035 372 T CA 1.669 63.697 62.100 -0.120 0.000 1.151 372 T CB -0.442 68.352 68.868 -0.125 0.000 0.862 372 T HN 0.303 nan 8.240 nan 0.000 0.438 373 L N 0.747 121.899 121.223 -0.118 0.000 2.046 373 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 373 L C 2.313 179.128 176.870 -0.091 0.000 1.077 373 L CA 1.818 56.593 54.840 -0.108 0.000 0.747 373 L CB -0.320 41.660 42.059 -0.131 0.000 0.896 373 L HN 0.095 nan 8.230 nan 0.000 0.432 374 K N -0.559 119.781 120.400 -0.099 0.000 2.057 374 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 374 K C 1.775 178.342 176.600 -0.056 0.000 1.050 374 K CA 1.518 57.758 56.287 -0.077 0.000 0.935 374 K CB -0.226 32.221 32.500 -0.087 0.000 0.715 374 K HN 0.359 nan 8.250 nan 0.000 0.439 375 D N 0.673 121.037 120.400 -0.060 0.000 2.097 375 D HA -0.125 4.514 4.640 -0.001 0.000 0.195 375 D C 1.830 178.113 176.300 -0.030 0.000 0.989 375 D CA 1.303 55.279 54.000 -0.040 0.000 0.827 375 D CB -0.261 40.513 40.800 -0.044 0.000 0.966 375 D HN 0.178 nan 8.370 nan 0.000 0.456 376 A N 1.050 123.846 122.820 -0.040 0.000 1.917 376 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 376 A C 2.103 179.672 177.584 -0.025 0.000 1.182 376 A CA 1.514 53.532 52.037 -0.032 0.000 0.633 376 A CB -0.499 18.475 19.000 -0.043 0.000 0.819 376 A HN 0.126 nan 8.150 nan 0.000 0.448 377 M N -0.365 119.217 119.600 -0.029 0.000 2.346 377 M HA -0.060 4.419 4.480 -0.001 0.000 0.263 377 M C 1.907 178.205 176.300 -0.004 0.000 1.064 377 M CA 0.931 56.218 55.300 -0.020 0.000 1.083 377 M CB -1.316 31.268 32.600 -0.027 0.000 1.399 377 M HN 0.421 nan 8.290 nan 0.000 0.435 378 L N -0.377 120.851 121.223 0.007 0.000 2.261 378 L HA -0.240 4.099 4.340 -0.001 0.000 0.216 378 L C 2.519 179.429 176.870 0.066 0.000 1.114 378 L CA 1.071 55.933 54.840 0.037 0.000 0.777 378 L CB -0.720 41.357 42.059 0.030 0.000 0.910 378 L HN 0.425 nan 8.230 nan 0.000 0.440 379 Q N 0.524 120.348 119.800 0.041 0.000 2.226 379 Q HA -0.128 4.211 4.340 -0.001 0.000 0.204 379 Q C 0.936 176.953 176.000 0.029 0.000 0.975 379 Q CA 0.632 56.465 55.803 0.051 0.000 0.866 379 Q CB 0.083 28.834 28.738 0.022 0.000 0.915 379 Q HN 0.442 nan 8.270 nan 0.000 0.440 380 L N 2.073 123.285 121.223 -0.018 0.000 2.485 380 L HA -0.011 4.328 4.340 -0.001 0.000 0.275 380 L C -0.004 176.704 176.870 -0.271 0.000 1.207 380 L CA -0.252 54.531 54.840 -0.096 0.000 0.855 380 L CB 0.314 42.329 42.059 -0.072 0.000 1.114 380 L HN 0.155 nan 8.230 nan 0.000 0.485 381 D N 5.305 125.445 120.400 -0.433 0.000 2.380 381 D HA 0.155 4.794 4.640 -0.001 0.000 0.230 381 D C -1.492 174.532 176.300 -0.460 0.000 1.154 381 D CA -2.194 51.281 54.000 -0.875 0.000 0.859 381 D CB 1.307 41.606 40.800 -0.835 0.000 1.045 381 D HN 0.185 nan 8.370 nan 0.000 0.495 382 P HA -0.103 nan 4.420 nan 0.000 0.225 382 P C 0.089 177.307 177.300 -0.137 0.000 1.148 382 P CA 0.893 63.894 63.100 -0.165 0.000 0.779 382 P CB 0.305 31.955 31.700 -0.083 0.000 0.780 383 N N -0.580 118.019 118.700 -0.168 0.000 2.325 383 N HA 0.169 4.909 4.740 -0.001 0.000 0.182 383 N C 0.737 176.182 175.510 -0.107 0.000 1.088 383 N CA -0.131 52.860 53.050 -0.099 0.000 0.879 383 N CB -0.039 38.423 38.487 -0.041 0.000 0.983 383 N HN 0.095 nan 8.380 nan 0.000 0.471 384 A N 1.087 123.816 122.820 -0.152 0.000 2.304 384 A HA 0.196 4.515 4.320 -0.001 0.000 0.271 384 A C 0.266 177.777 177.584 -0.122 0.000 1.091 384 A CA -0.498 51.461 52.037 -0.130 0.000 0.812 384 A CB 0.344 19.251 19.000 -0.156 0.000 1.056 384 A HN 0.167 nan 8.150 nan 0.000 0.489 385 K N 0.782 121.114 120.400 -0.113 0.000 2.491 385 K HA 0.143 4.462 4.320 -0.001 0.000 0.279 385 K C -0.877 175.644 176.600 -0.132 0.000 1.026 385 K CA 0.845 57.051 56.287 -0.135 0.000 1.070 385 K CB -0.008 32.428 32.500 -0.105 0.000 0.887 385 K HN 0.628 nan 8.250 nan 0.000 0.481 386 T N 4.520 118.981 114.554 -0.156 0.000 2.881 386 T HA 0.260 4.610 4.350 -0.001 0.000 0.291 386 T C -1.191 173.470 174.700 -0.065 0.000 0.990 386 T CA -0.573 61.486 62.100 -0.068 0.000 0.976 386 T CB 0.361 69.200 68.868 -0.049 0.000 0.970 386 T HN 0.503 nan 8.240 nan 0.000 0.438 387 W N 3.001 124.311 121.300 0.017 0.000 2.448 387 W HA 0.750 5.409 4.660 -0.001 0.000 0.339 387 W C 0.141 176.705 176.519 0.075 0.000 1.124 387 W CA -0.809 56.578 57.345 0.071 0.000 1.262 387 W CB 1.256 30.798 29.460 0.137 0.000 1.251 387 W HN 0.348 nan 8.180 nan 0.000 0.597 388 M N 2.331 122.141 119.600 0.351 0.000 2.484 388 M HA 0.345 4.824 4.480 -0.001 0.000 0.289 388 M C -2.051 174.393 176.300 0.240 0.000 1.206 388 M CA -0.367 55.069 55.300 0.226 0.000 0.892 388 M CB 2.226 34.905 32.600 0.132 0.000 1.712 388 M HN 0.530 nan 8.290 nan 0.000 0.462 389 D N 2.818 123.307 120.400 0.149 0.000 2.736 389 D HA 0.698 5.337 4.640 -0.001 0.000 0.223 389 D C -1.633 174.703 176.300 0.061 0.000 1.231 389 D CA -0.486 53.595 54.000 0.136 0.000 0.818 389 D CB 2.315 43.182 40.800 0.112 0.000 1.587 389 D HN 0.639 nan 8.370 nan 0.000 0.463 390 I N -1.286 119.334 120.570 0.084 0.000 2.934 390 I HA 0.725 4.895 4.170 -0.001 0.000 0.306 390 I C -1.149 175.035 176.117 0.113 0.000 1.110 390 I CA -0.704 60.632 61.300 0.060 0.000 1.019 390 I CB 2.311 40.346 38.000 0.059 0.000 1.227 390 I HN 0.082 nan 8.210 nan 0.000 0.434 391 E N 2.428 122.702 120.200 0.123 0.000 2.212 391 E HA 0.687 5.036 4.350 -0.001 0.000 0.268 391 E C -0.193 176.524 176.600 0.195 0.000 0.902 391 E CA -0.131 56.389 56.400 0.200 0.000 0.779 391 E CB 1.915 31.766 29.700 0.251 0.000 1.172 391 E HN 1.148 nan 8.360 nan 0.000 0.409 392 G N 2.194 111.146 108.800 0.253 0.000 2.712 392 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.686 392 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.686 392 G C -0.475 174.523 174.900 0.164 0.000 1.321 392 G CA -0.790 44.445 45.100 0.224 0.000 0.813 392 G HN 0.458 nan 8.290 nan 0.000 0.599 393 R N 2.183 122.771 120.500 0.147 0.000 2.738 393 R HA 0.295 4.634 4.340 -0.001 0.000 0.268 393 R C -1.000 175.362 176.300 0.103 0.000 1.062 393 R CA -0.774 55.395 56.100 0.114 0.000 1.158 393 R CB 0.634 30.994 30.300 0.101 0.000 1.046 393 R HN 0.416 nan 8.270 nan 0.000 0.493 394 P HA -0.176 nan 4.420 nan 0.000 0.220 394 P C 0.255 177.600 177.300 0.075 0.000 1.148 394 P CA 1.296 64.443 63.100 0.078 0.000 0.803 394 P CB 0.162 31.901 31.700 0.066 0.000 0.782 395 E N -0.088 120.156 120.200 0.073 0.000 2.418 395 E HA -0.095 4.254 4.350 -0.001 0.000 0.197 395 E C 0.086 176.732 176.600 0.078 0.000 1.026 395 E CA 0.783 57.224 56.400 0.068 0.000 0.862 395 E CB -0.471 29.266 29.700 0.062 0.000 0.799 395 E HN 0.218 nan 8.360 nan 0.000 0.518 396 D N 0.485 120.942 120.400 0.095 0.000 3.449 396 D HA 0.152 4.791 4.640 -0.001 0.000 0.262 396 D C -2.804 173.577 176.300 0.135 0.000 1.343 396 D CA -1.435 52.630 54.000 0.109 0.000 0.787 396 D CB 0.787 41.658 40.800 0.118 0.000 1.412 396 D HN -0.112 nan 8.370 nan 0.000 0.652 397 P HA 0.131 nan 4.420 nan 0.000 0.278 397 P C 0.795 178.174 177.300 0.131 0.000 1.238 397 P CA -0.398 62.774 63.100 0.120 0.000 0.794 397 P CB 1.846 33.597 31.700 0.085 0.000 0.955 398 V N -1.742 118.258 119.914 0.144 0.000 3.548 398 V HA 0.391 4.510 4.120 -0.001 0.000 0.279 398 V C 0.398 176.583 176.094 0.152 0.000 1.446 398 V CA 0.399 62.798 62.300 0.166 0.000 1.023 398 V CB -0.270 31.716 31.823 0.272 0.000 0.820 398 V HN 0.555 nan 8.190 nan 0.000 0.438 399 E N 1.144 121.385 120.200 0.067 0.000 2.294 399 E HA 0.513 4.862 4.350 -0.001 0.000 0.272 399 E C -1.837 174.661 176.600 -0.171 0.000 0.896 399 E CA -0.605 55.779 56.400 -0.026 0.000 0.802 399 E CB 2.108 31.916 29.700 0.180 0.000 1.267 399 E HN 0.289 nan 8.360 nan 0.000 0.406 400 I N 2.305 122.577 120.570 -0.496 0.000 2.530 400 I HA 0.762 4.931 4.170 -0.001 0.000 0.297 400 I C -0.278 175.560 176.117 -0.466 0.000 1.011 400 I CA -0.873 60.105 61.300 -0.535 0.000 1.107 400 I CB 1.233 38.734 38.000 -0.831 0.000 1.285 400 I HN 0.593 nan 8.210 nan 0.000 0.436 401 A N 6.262 128.963 122.820 -0.198 0.000 2.488 401 A HA 0.844 5.163 4.320 -0.001 0.000 0.298 401 A C -1.583 176.020 177.584 0.032 0.000 1.044 401 A CA -0.398 51.593 52.037 -0.076 0.000 0.693 401 A CB 1.608 20.509 19.000 -0.165 0.000 1.272 401 A HN 0.495 nan 8.150 nan 0.000 0.402 402 L N 1.849 123.143 121.223 0.119 0.000 2.362 402 L HA 0.706 5.045 4.340 -0.001 0.000 0.271 402 L C -0.834 176.197 176.870 0.269 0.000 1.002 402 L CA -0.446 54.501 54.840 0.180 0.000 0.818 402 L CB 1.855 44.004 42.059 0.151 0.000 1.298 402 L HN 0.707 nan 8.230 nan 0.000 0.420 403 Y N 1.609 121.983 120.300 0.123 0.000 2.457 403 Y HA 0.519 5.068 4.550 -0.002 0.000 0.343 403 Y C -1.229 174.755 175.900 0.139 0.000 0.994 403 Y CA -0.903 57.262 58.100 0.108 0.000 1.031 403 Y CB 1.988 40.458 38.460 0.017 0.000 1.246 403 Y HN 0.605 nan 8.280 nan 0.000 0.449 404 Q N 8.311 127.979 119.800 -0.219 0.000 2.413 404 Q HA 0.269 4.608 4.340 -0.001 0.000 0.258 404 Q C -2.163 173.452 176.000 -0.642 0.000 1.037 404 Q CA -2.019 53.590 55.803 -0.324 0.000 0.764 404 Q CB 2.064 30.716 28.738 -0.144 0.000 1.217 404 Q HN 0.511 nan 8.270 nan 0.000 0.490 405 P HA -0.168 nan 4.420 nan 0.000 0.220 405 P C 1.349 178.510 177.300 -0.231 0.000 1.148 405 P CA 1.130 63.827 63.100 -0.672 0.000 0.803 405 P CB 0.465 31.958 31.700 -0.347 0.000 0.782 406 S N -0.074 115.527 115.700 -0.164 0.000 2.383 406 S HA -0.084 4.385 4.470 -0.001 0.000 0.227 406 S C 2.058 176.636 174.600 -0.036 0.000 1.026 406 S CA 1.800 59.957 58.200 -0.071 0.000 0.981 406 S CB -0.571 62.596 63.200 -0.055 0.000 0.818 406 S HN 0.333 nan 8.310 nan 0.000 0.472 407 S N -0.805 114.869 115.700 -0.044 0.000 2.475 407 S HA 0.410 4.880 4.470 -0.001 0.000 0.224 407 S C 1.478 176.098 174.600 0.033 0.000 1.042 407 S CA 0.821 59.023 58.200 0.004 0.000 0.935 407 S CB -0.008 63.195 63.200 0.005 0.000 0.801 407 S HN 1.176 nan 8.310 nan 0.000 0.509 408 G N 1.158 109.970 108.800 0.020 0.000 2.141 408 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.195 408 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.195 408 G C 0.141 175.166 174.900 0.208 0.000 1.012 408 G CA -0.202 44.978 45.100 0.134 0.000 0.696 408 G HN 1.405 nan 8.290 nan 0.000 0.508 409 C N 0.017 119.399 119.300 0.136 0.000 2.365 409 C HA 1.036 5.495 4.460 -0.001 0.000 0.349 409 C C -0.041 175.109 174.990 0.267 0.000 1.191 409 C CA -1.081 58.022 59.018 0.142 0.000 2.114 409 C CB 0.568 28.325 27.740 0.028 0.000 2.367 409 C HN 1.462 nan 8.230 nan 0.000 0.530 410 Y N 0.187 120.554 120.300 0.112 0.000 2.534 410 Y HA 0.818 5.366 4.550 -0.003 0.000 0.345 410 Y C -1.223 174.738 175.900 0.101 0.000 1.031 410 Y CA -1.750 56.420 58.100 0.117 0.000 1.022 410 Y CB 0.800 39.291 38.460 0.052 0.000 1.292 410 Y HN 0.723 nan 8.280 nan 0.000 0.459 411 I N 4.396 125.102 120.570 0.227 0.000 2.354 411 I HA 0.363 4.533 4.170 -0.001 0.000 0.292 411 I C -0.770 175.550 176.117 0.339 0.000 0.989 411 I CA -0.492 60.935 61.300 0.213 0.000 1.188 411 I CB 1.325 39.454 38.000 0.215 0.000 1.342 411 I HN 0.846 nan 8.210 nan 0.000 0.457 412 H N 7.717 126.911 119.070 0.206 0.000 2.947 412 H HA 0.563 5.118 4.556 -0.002 0.000 0.354 412 H C -1.799 173.502 175.328 -0.045 0.000 1.085 412 H CA -0.613 55.436 56.048 0.001 0.000 1.253 412 H CB 1.892 31.706 29.762 0.087 0.000 1.757 412 H HN 0.532 nan 8.280 nan 0.000 0.523 413 F N 2.390 121.991 119.950 -0.580 0.000 2.779 413 F HA 0.632 5.158 4.527 -0.002 0.000 0.316 413 F C -2.284 172.963 175.800 -0.921 0.000 1.164 413 F CA -1.110 56.425 58.000 -0.775 0.000 0.924 413 F CB 1.037 39.853 39.000 -0.307 0.000 1.348 413 F HN 0.220 nan 8.300 nan 0.000 0.467 414 F N 0.365 120.310 119.950 -0.009 0.000 2.639 414 F HA 0.818 5.344 4.527 -0.002 0.000 0.339 414 F C -0.286 175.557 175.800 0.072 0.000 1.071 414 F CA -1.069 56.898 58.000 -0.055 0.000 0.994 414 F CB 1.984 40.897 39.000 -0.145 0.000 1.341 414 F HN 0.686 nan 8.300 nan 0.000 0.498 415 R N 0.612 121.255 120.500 0.238 0.000 2.584 415 R HA 0.257 4.596 4.340 -0.001 0.000 0.276 415 R C -1.405 174.950 176.300 0.092 0.000 1.046 415 R CA -0.641 55.553 56.100 0.155 0.000 0.906 415 R CB 1.755 32.148 30.300 0.153 0.000 1.215 415 R HN 0.785 nan 8.270 nan 0.000 0.449 416 E N 5.054 125.281 120.200 0.044 0.000 2.415 416 E HA 0.063 4.412 4.350 -0.001 0.000 0.263 416 E C -2.000 174.587 176.600 -0.023 0.000 0.995 416 E CA -1.245 55.148 56.400 -0.011 0.000 0.915 416 E CB 0.749 30.436 29.700 -0.022 0.000 0.951 416 E HN 0.354 nan 8.360 nan 0.000 0.449 417 P HA -0.011 nan 4.420 nan 0.000 0.277 417 P C 0.345 177.632 177.300 -0.021 0.000 1.240 417 P CA -0.134 62.945 63.100 -0.034 0.000 0.798 417 P CB 1.284 32.917 31.700 -0.112 0.000 0.979 418 T N -2.559 112.012 114.554 0.027 0.000 2.953 418 T HA -0.003 4.346 4.350 -0.001 0.000 0.247 418 T C 0.702 175.425 174.700 0.039 0.000 1.029 418 T CA 0.527 62.642 62.100 0.025 0.000 1.144 418 T CB -0.566 68.321 68.868 0.031 0.000 0.870 418 T HN 0.338 nan 8.240 nan 0.000 0.446 419 D N 1.528 121.969 120.400 0.069 0.000 2.422 419 D HA 0.117 4.757 4.640 -0.001 0.000 0.227 419 D C 0.886 177.257 176.300 0.120 0.000 1.190 419 D CA -0.342 53.709 54.000 0.086 0.000 0.905 419 D CB 1.120 41.977 40.800 0.096 0.000 1.034 419 D HN 0.130 nan 8.370 nan 0.000 0.507 420 L N 5.488 126.767 121.223 0.094 0.000 2.093 420 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 420 L C 2.264 179.236 176.870 0.170 0.000 1.085 420 L CA 1.683 56.594 54.840 0.119 0.000 0.755 420 L CB -0.483 41.616 42.059 0.067 0.000 0.904 420 L HN 0.338 nan 8.230 nan 0.000 0.435 421 K N -0.867 119.605 120.400 0.119 0.000 2.020 421 K HA -0.318 4.001 4.320 -0.001 0.000 0.212 421 K C 2.255 178.926 176.600 0.118 0.000 1.050 421 K CA 2.160 58.508 56.287 0.102 0.000 0.929 421 K CB -0.225 32.320 32.500 0.074 0.000 0.714 421 K HN 0.375 nan 8.250 nan 0.000 0.443 422 Q N 0.137 120.017 119.800 0.133 0.000 2.046 422 Q HA -0.159 4.180 4.340 -0.001 0.000 0.200 422 Q C 1.852 177.950 176.000 0.163 0.000 0.975 422 Q CA 1.839 57.720 55.803 0.130 0.000 0.836 422 Q CB -0.520 28.295 28.738 0.128 0.000 0.896 422 Q HN 0.426 nan 8.270 nan 0.000 0.428 423 F N 0.974 120.976 119.950 0.087 0.000 2.115 423 F HA -0.281 4.245 4.527 -0.002 0.000 0.300 423 F C 1.584 177.428 175.800 0.073 0.000 1.092 423 F CA 1.735 59.809 58.000 0.124 0.000 1.245 423 F CB -0.011 39.066 39.000 0.128 0.000 0.995 423 F HN 0.045 nan 8.300 nan 0.000 0.481 424 K N -0.032 120.472 120.400 0.174 0.000 2.147 424 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 424 K C 1.986 178.495 176.600 -0.153 0.000 1.049 424 K CA 1.029 57.325 56.287 0.014 0.000 0.936 424 K CB -0.554 31.985 32.500 0.064 0.000 0.722 424 K HN 0.426 nan 8.250 nan 0.000 0.446 425 Q N 0.843 120.581 119.800 -0.104 0.000 2.096 425 Q HA -0.084 4.255 4.340 -0.001 0.000 0.197 425 Q C 1.590 177.472 176.000 -0.197 0.000 0.964 425 Q CA 1.088 56.821 55.803 -0.116 0.000 0.838 425 Q CB -0.208 28.566 28.738 0.060 0.000 0.906 425 Q HN 0.285 nan 8.270 nan 0.000 0.444 426 D N 1.146 121.407 120.400 -0.232 0.000 2.133 426 D HA -0.148 4.491 4.640 -0.001 0.000 0.195 426 D C 1.760 177.485 176.300 -0.959 0.000 0.997 426 D CA 1.578 55.312 54.000 -0.443 0.000 0.840 426 D CB -0.215 40.395 40.800 -0.316 0.000 0.947 426 D HN 0.245 nan 8.370 nan 0.000 0.452 427 A N 1.005 123.242 122.820 -0.972 0.000 1.883 427 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 427 A C 2.072 179.366 177.584 -0.483 0.000 1.186 427 A CA 1.488 53.066 52.037 -0.765 0.000 0.624 427 A CB -0.246 18.497 19.000 -0.429 0.000 0.822 427 A HN 0.004 nan 8.150 nan 0.000 0.444 428 K N -1.353 118.753 120.400 -0.489 0.000 2.103 428 K HA -0.051 4.268 4.320 -0.001 0.000 0.204 428 K C 1.346 177.615 176.600 -0.552 0.000 1.052 428 K CA 1.292 57.245 56.287 -0.557 0.000 0.945 428 K CB -0.373 31.645 32.500 -0.803 0.000 0.722 428 K HN 0.681 nan 8.250 nan 0.000 0.443 429 Y N -0.893 119.264 120.300 -0.238 0.000 2.449 429 Y HA 0.170 4.719 4.550 -0.001 0.000 0.254 429 Y C 2.135 177.861 175.900 -0.289 0.000 1.140 429 Y CA -0.079 57.893 58.100 -0.214 0.000 1.272 429 Y CB 0.622 38.989 38.460 -0.155 0.000 1.114 429 Y HN -0.028 nan 8.280 nan 0.000 0.525 430 S N -1.236 114.311 115.700 -0.254 0.000 3.952 430 S HA 0.005 4.474 4.470 -0.001 0.000 0.211 430 S C 1.224 175.699 174.600 -0.208 0.000 1.098 430 S CA 0.529 58.531 58.200 -0.330 0.000 0.954 430 S CB -0.510 62.582 63.200 -0.181 0.000 1.222 430 S HN 0.464 nan 8.310 nan 0.000 0.585 431 H N -0.298 118.744 119.070 -0.045 0.000 2.740 431 H HA 0.526 5.081 4.556 -0.002 0.000 0.265 431 H C 1.306 176.725 175.328 0.151 0.000 0.978 431 H CA 0.543 56.667 56.048 0.127 0.000 1.198 431 H CB -0.766 29.105 29.762 0.180 0.000 1.467 431 H HN 0.546 nan 8.280 nan 0.000 0.511 432 G N 1.691 110.540 108.800 0.081 0.000 2.449 432 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.304 432 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.304 432 G C -0.002 175.002 174.900 0.173 0.000 0.962 432 G CA 0.791 45.936 45.100 0.076 0.000 0.943 432 G HN 0.556 nan 8.290 nan 0.000 0.514 433 I N -0.015 120.747 120.570 0.321 0.000 2.428 433 I HA 0.178 4.347 4.170 -0.001 0.000 0.289 433 I C 0.273 176.531 176.117 0.235 0.000 1.019 433 I CA -0.705 60.681 61.300 0.145 0.000 1.351 433 I CB 1.109 39.117 38.000 0.013 0.000 1.412 433 I HN 0.013 nan 8.210 nan 0.000 0.513 434 D N 5.522 126.004 120.400 0.136 0.000 2.295 434 D HA 0.037 4.676 4.640 -0.001 0.000 0.248 434 D C 0.817 177.169 176.300 0.088 0.000 1.154 434 D CA -0.089 53.981 54.000 0.117 0.000 0.857 434 D CB 1.848 42.649 40.800 0.003 0.000 1.117 434 D HN 0.346 nan 8.370 nan 0.000 0.468 435 V N 4.153 124.135 119.914 0.114 0.000 2.453 435 V HA -0.288 3.831 4.120 -0.001 0.000 0.252 435 V C 2.272 178.118 176.094 -0.414 0.000 1.068 435 V CA 3.184 65.339 62.300 -0.241 0.000 1.070 435 V CB -0.667 30.910 31.823 -0.409 0.000 0.664 435 V HN 0.870 nan 8.190 nan 0.000 0.461 436 T N -2.800 111.455 114.554 -0.499 0.000 2.788 436 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 436 T C 1.587 175.982 174.700 -0.507 0.000 1.044 436 T CA 1.591 63.185 62.100 -0.844 0.000 1.139 436 T CB -0.654 67.870 68.868 -0.572 0.000 0.867 436 T HN 0.543 nan 8.240 nan 0.000 0.454 437 D N 1.301 121.555 120.400 -0.243 0.000 2.263 437 D HA 0.027 4.666 4.640 -0.001 0.000 0.208 437 D C 1.885 178.136 176.300 -0.082 0.000 0.971 437 D CA 0.623 54.551 54.000 -0.121 0.000 0.867 437 D CB -0.195 40.542 40.800 -0.105 0.000 0.929 437 D HN 0.438 nan 8.370 nan 0.000 0.492 438 L N -0.368 120.807 121.223 -0.079 0.000 2.492 438 L HA -0.002 4.337 4.340 -0.001 0.000 0.223 438 L C 1.868 178.847 176.870 0.181 0.000 1.132 438 L CA -0.089 54.742 54.840 -0.015 0.000 0.850 438 L CB -0.109 41.936 42.059 -0.024 0.000 0.966 438 L HN -0.108 nan 8.230 nan 0.000 0.454 439 F N 0.931 120.844 119.950 -0.062 0.000 2.171 439 F HA -0.161 4.365 4.527 -0.002 0.000 0.300 439 F C 2.505 178.304 175.800 -0.001 0.000 1.090 439 F CA 0.857 58.836 58.000 -0.035 0.000 1.293 439 F CB -0.956 38.027 39.000 -0.027 0.000 1.013 439 F HN 0.036 nan 8.300 nan 0.000 0.486 440 A N -0.450 122.509 122.820 0.232 0.000 2.235 440 A HA 0.061 4.380 4.320 -0.001 0.000 0.208 440 A C 1.074 178.790 177.584 0.220 0.000 1.172 440 A CA 0.674 52.843 52.037 0.219 0.000 0.786 440 A CB -1.381 17.765 19.000 0.242 0.000 0.804 440 A HN 0.309 nan 8.150 nan 0.000 0.479 441 T N -2.360 112.229 114.554 0.058 0.000 2.913 441 T HA 0.447 4.796 4.350 -0.001 0.000 0.287 441 T C -0.117 174.560 174.700 -0.039 0.000 1.008 441 T CA -0.577 61.447 62.100 -0.127 0.000 1.067 441 T CB 1.041 69.805 68.868 -0.173 0.000 0.996 441 T HN 0.214 nan 8.240 nan 0.000 0.513 442 Q N 2.978 122.739 119.800 -0.065 0.000 2.293 442 Q HA 0.368 4.707 4.340 -0.001 0.000 0.263 442 Q C -2.292 173.690 176.000 -0.030 0.000 1.002 442 Q CA -1.680 54.103 55.803 -0.034 0.000 0.910 442 Q CB 0.591 29.305 28.738 -0.040 0.000 1.185 442 Q HN 0.519 nan 8.270 nan 0.000 0.401 443 P HA 0.303 nan 4.420 nan 0.000 0.279 443 P C 0.101 177.373 177.300 -0.045 0.000 1.252 443 P CA 0.303 63.390 63.100 -0.022 0.000 0.811 443 P CB 1.316 33.001 31.700 -0.026 0.000 1.035 444 G N 0.265 109.040 108.800 -0.042 0.000 2.213 444 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.226 444 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.226 444 G C 0.912 175.738 174.900 -0.124 0.000 0.992 444 G CA 0.218 45.279 45.100 -0.065 0.000 0.632 444 G HN 0.461 nan 8.290 nan 0.000 0.511 445 L N 0.792 121.896 121.223 -0.197 0.000 2.093 445 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 445 L C 3.073 179.655 176.870 -0.481 0.000 1.085 445 L CA 2.071 56.627 54.840 -0.474 0.000 0.755 445 L CB -0.791 40.769 42.059 -0.832 0.000 0.904 445 L HN 0.363 nan 8.230 nan 0.000 0.435 446 T N -0.510 113.987 114.554 -0.095 0.000 2.652 446 T HA -0.218 4.131 4.350 -0.001 0.000 0.267 446 T C 2.111 176.837 174.700 0.044 0.000 1.039 446 T CA 1.916 64.110 62.100 0.157 0.000 1.153 446 T CB -0.327 68.676 68.868 0.224 0.000 0.863 446 T HN 0.555 nan 8.240 nan 0.000 0.428 447 S N 2.070 117.770 115.700 0.000 0.000 2.355 447 S HA 0.020 4.489 4.470 -0.001 0.000 0.222 447 S C 2.438 177.014 174.600 -0.041 0.000 1.031 447 S CA 1.005 59.201 58.200 -0.007 0.000 0.993 447 S CB -0.706 62.488 63.200 -0.010 0.000 0.859 447 S HN 0.513 nan 8.310 nan 0.000 0.453 448 A N 1.258 124.022 122.820 -0.092 0.000 1.930 448 A HA 0.157 4.476 4.320 -0.001 0.000 0.217 448 A C 2.423 179.937 177.584 -0.117 0.000 1.175 448 A CA 1.407 53.379 52.037 -0.108 0.000 0.627 448 A CB -1.008 17.909 19.000 -0.139 0.000 0.815 448 A HN 0.433 nan 8.150 nan 0.000 0.443 449 V N 0.038 119.850 119.914 -0.170 0.000 2.270 449 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 449 V C 2.426 178.511 176.094 -0.015 0.000 1.043 449 V CA 2.041 64.268 62.300 -0.122 0.000 1.014 449 V CB -0.628 31.074 31.823 -0.203 0.000 0.645 449 V HN 0.564 nan 8.190 nan 0.000 0.447 450 I N 0.213 120.799 120.570 0.028 0.000 2.163 450 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 450 I C 2.244 178.371 176.117 0.017 0.000 1.085 450 I CA 1.837 63.166 61.300 0.048 0.000 1.347 450 I CB -0.526 37.517 38.000 0.072 0.000 1.044 450 I HN 0.314 nan 8.210 nan 0.000 0.408 451 D N 0.851 121.251 120.400 0.000 0.000 2.172 451 D HA -0.201 4.438 4.640 -0.001 0.000 0.196 451 D C 1.931 178.223 176.300 -0.013 0.000 0.999 451 D CA 1.701 55.696 54.000 -0.008 0.000 0.856 451 D CB -0.156 40.633 40.800 -0.018 0.000 0.934 451 D HN 0.418 nan 8.370 nan 0.000 0.453 452 A N -0.244 122.563 122.820 -0.022 0.000 2.275 452 A HA 0.179 4.498 4.320 -0.001 0.000 0.212 452 A C 0.755 178.331 177.584 -0.013 0.000 1.201 452 A CA -0.243 51.780 52.037 -0.024 0.000 0.843 452 A CB -0.201 18.774 19.000 -0.041 0.000 0.873 452 A HN 0.134 nan 8.150 nan 0.000 0.492 453 L N 2.216 123.438 121.223 -0.002 0.000 2.540 453 L HA 0.114 4.453 4.340 -0.001 0.000 0.276 453 L C -1.802 175.065 176.870 -0.005 0.000 1.212 453 L CA -1.254 53.587 54.840 0.002 0.000 0.893 453 L CB 0.282 42.350 42.059 0.014 0.000 1.138 453 L HN 0.197 nan 8.230 nan 0.000 0.491 454 P HA 0.045 nan 4.420 nan 0.000 0.269 454 P C -0.773 176.521 177.300 -0.010 0.000 1.215 454 P CA -0.354 62.740 63.100 -0.011 0.000 0.780 454 P CB 0.381 32.070 31.700 -0.018 0.000 0.898 455 R N 2.421 122.917 120.500 -0.006 0.000 2.590 455 R HA 0.080 4.420 4.340 -0.001 0.000 0.274 455 R C 0.923 177.217 176.300 -0.010 0.000 1.061 455 R CA -0.070 56.027 56.100 -0.006 0.000 1.081 455 R CB -0.730 29.569 30.300 -0.002 0.000 0.984 455 R HN 0.582 nan 8.270 nan 0.000 0.448 456 N N -0.369 118.324 118.700 -0.012 0.000 2.778 456 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 456 N C 0.204 175.699 175.510 -0.025 0.000 1.069 456 N CA 0.987 54.028 53.050 -0.016 0.000 0.831 456 N CB -0.853 37.626 38.487 -0.013 0.000 1.142 456 N HN 0.660 nan 8.380 nan 0.000 0.573 457 M N 1.256 120.840 119.600 -0.028 0.000 2.252 457 M HA 0.043 4.522 4.480 -0.001 0.000 0.329 457 M C -0.171 176.101 176.300 -0.047 0.000 1.101 457 M CA 0.528 55.804 55.300 -0.041 0.000 1.117 457 M CB 0.575 33.153 32.600 -0.037 0.000 1.563 457 M HN -0.087 nan 8.290 nan 0.000 0.445 458 V N 6.877 126.752 119.914 -0.065 0.000 2.384 458 V HA 0.439 4.558 4.120 -0.001 0.000 0.287 458 V C -0.205 175.824 176.094 -0.108 0.000 1.020 458 V CA -0.542 61.710 62.300 -0.080 0.000 0.850 458 V CB 1.271 33.043 31.823 -0.085 0.000 0.987 458 V HN 0.713 nan 8.190 nan 0.000 0.436 459 I N 3.834 124.341 120.570 -0.105 0.000 2.362 459 I HA 0.369 4.538 4.170 -0.001 0.000 0.289 459 I C 0.302 176.302 176.117 -0.194 0.000 0.994 459 I CA -0.168 61.059 61.300 -0.121 0.000 1.158 459 I CB 2.052 40.023 38.000 -0.049 0.000 1.315 459 I HN 0.520 nan 8.210 nan 0.000 0.451 460 T N 5.444 119.780 114.554 -0.363 0.000 2.856 460 T HA 0.472 4.821 4.350 -0.001 0.000 0.292 460 T C -0.108 174.341 174.700 -0.419 0.000 0.980 460 T CA -0.442 61.299 62.100 -0.598 0.000 1.091 460 T CB 0.795 68.934 68.868 -1.215 0.000 0.936 460 T HN 0.805 nan 8.240 nan 0.000 0.503 461 C N 2.140 121.312 119.300 -0.213 0.000 3.340 461 C HA 0.802 5.261 4.460 -0.001 0.000 0.333 461 C C -0.929 174.184 174.990 0.205 0.000 1.464 461 C CA -1.212 57.898 59.018 0.153 0.000 1.337 461 C CB 1.174 28.993 27.740 0.132 0.000 1.740 461 C HN 0.677 nan 8.230 nan 0.000 0.450 462 Q N 0.688 120.627 119.800 0.231 0.000 2.506 462 Q HA 0.521 4.860 4.340 -0.001 0.000 0.242 462 Q C 0.223 176.226 176.000 0.005 0.000 1.060 462 Q CA 1.158 56.961 55.803 0.000 0.000 0.826 462 Q CB 0.184 28.677 28.738 -0.409 0.000 1.169 462 Q HN 2.552 nan 8.270 nan 0.000 0.521 463 G N 2.693 111.495 108.800 0.003 0.000 2.871 463 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.262 463 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.262 463 G C 0.570 175.488 174.900 0.030 0.000 1.126 463 G CA 0.168 45.275 45.100 0.012 0.000 1.130 463 G HN 0.906 nan 8.290 nan 0.000 0.549 464 S N -0.364 115.346 115.700 0.017 0.000 2.402 464 S HA -0.203 4.266 4.470 -0.001 0.000 0.233 464 S C 1.767 176.381 174.600 0.023 0.000 1.030 464 S CA 1.627 59.837 58.200 0.017 0.000 1.003 464 S CB -0.105 63.093 63.200 -0.004 0.000 0.813 464 S HN 0.643 nan 8.310 nan 0.000 0.477 465 D N 2.901 123.313 120.400 0.021 0.000 2.268 465 D HA -0.265 4.374 4.640 -0.001 0.000 0.189 465 D C 1.673 177.993 176.300 0.033 0.000 1.010 465 D CA 2.274 56.288 54.000 0.023 0.000 0.862 465 D CB -0.456 40.358 40.800 0.023 0.000 0.943 465 D HN 0.723 nan 8.370 nan 0.000 0.451 466 D N 0.401 120.827 120.400 0.044 0.000 2.097 466 D HA -0.168 4.472 4.640 -0.001 0.000 0.197 466 D C 2.321 178.654 176.300 0.055 0.000 0.984 466 D CA 0.620 54.653 54.000 0.054 0.000 0.826 466 D CB -0.799 40.042 40.800 0.068 0.000 0.973 466 D HN 0.274 nan 8.370 nan 0.000 0.460 467 I N 1.043 121.647 120.570 0.057 0.000 2.163 467 I HA -0.196 3.973 4.170 -0.001 0.000 0.243 467 I C 2.758 178.900 176.117 0.042 0.000 1.085 467 I CA 0.842 62.175 61.300 0.055 0.000 1.347 467 I CB -1.280 36.755 38.000 0.057 0.000 1.044 467 I HN 0.101 nan 8.210 nan 0.000 0.408 468 R N 1.178 121.697 120.500 0.032 0.000 2.112 468 R HA -0.234 4.105 4.340 -0.001 0.000 0.242 468 R C 2.421 178.738 176.300 0.029 0.000 1.137 468 R CA 1.971 58.085 56.100 0.024 0.000 0.944 468 R CB -0.209 30.102 30.300 0.017 0.000 0.857 468 R HN 0.240 nan 8.270 nan 0.000 0.435 469 K N 0.054 120.474 120.400 0.033 0.000 2.074 469 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 469 K C 2.072 178.696 176.600 0.040 0.000 1.048 469 K CA 1.649 57.958 56.287 0.035 0.000 0.926 469 K CB -0.189 32.334 32.500 0.039 0.000 0.713 469 K HN 0.156 nan 8.250 nan 0.000 0.444 470 L N 1.190 122.441 121.223 0.047 0.000 2.095 470 L HA -0.064 4.275 4.340 -0.001 0.000 0.204 470 L C 1.939 178.839 176.870 0.050 0.000 1.080 470 L CA 1.283 56.155 54.840 0.054 0.000 0.759 470 L CB -0.362 41.735 42.059 0.064 0.000 0.914 470 L HN 0.140 nan 8.230 nan 0.000 0.439 471 L N -0.423 120.827 121.223 0.045 0.000 2.042 471 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 471 L C 2.568 179.456 176.870 0.031 0.000 1.076 471 L CA 1.643 56.506 54.840 0.039 0.000 0.749 471 L CB -0.651 41.427 42.059 0.032 0.000 0.893 471 L HN 0.387 nan 8.230 nan 0.000 0.432 472 E N -0.193 120.023 120.200 0.028 0.000 2.072 472 E HA -0.202 4.147 4.350 -0.001 0.000 0.191 472 E C 2.277 178.892 176.600 0.025 0.000 0.985 472 E CA 1.565 57.978 56.400 0.023 0.000 0.801 472 E CB -0.139 29.573 29.700 0.020 0.000 0.750 472 E HN 0.518 nan 8.360 nan 0.000 0.452 473 S N 0.548 116.267 115.700 0.030 0.000 2.469 473 S HA -0.130 4.339 4.470 -0.001 0.000 0.238 473 S C 1.808 176.426 174.600 0.030 0.000 0.998 473 S CA 0.843 59.062 58.200 0.031 0.000 0.957 473 S CB 0.103 63.325 63.200 0.037 0.000 0.764 473 S HN 0.077 nan 8.310 nan 0.000 0.514 474 Q N 0.152 119.971 119.800 0.032 0.000 2.319 474 Q HA 0.313 4.652 4.340 -0.001 0.000 0.209 474 Q C 1.320 177.333 176.000 0.022 0.000 0.884 474 Q CA 0.734 56.556 55.803 0.031 0.000 0.938 474 Q CB 0.701 29.464 28.738 0.042 0.000 1.098 474 Q HN 0.799 nan 8.270 nan 0.000 0.517 475 G N 1.310 110.122 108.800 0.020 0.000 2.154 475 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.186 475 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.186 475 G C -0.082 174.826 174.900 0.013 0.000 1.000 475 G CA -0.493 44.616 45.100 0.015 0.000 0.664 475 G HN 0.022 nan 8.290 nan 0.000 0.513 476 R N 0.422 120.931 120.500 0.015 0.000 2.396 476 R HA 0.445 4.785 4.340 -0.001 0.000 0.292 476 R C 0.624 176.930 176.300 0.011 0.000 1.240 476 R CA -0.609 55.498 56.100 0.012 0.000 1.270 476 R CB 0.959 31.269 30.300 0.015 0.000 1.108 476 R HN 0.323 nan 8.270 nan 0.000 0.573 477 K N 0.999 121.403 120.400 0.007 0.000 2.358 477 K HA -0.014 4.305 4.320 -0.001 0.000 0.197 477 K C 0.895 177.496 176.600 0.001 0.000 1.025 477 K CA 0.277 56.566 56.287 0.005 0.000 1.104 477 K CB 0.641 33.144 32.500 0.005 0.000 0.855 477 K HN 0.435 nan 8.250 nan 0.000 0.531 478 D N 0.694 121.094 120.400 -0.000 0.000 2.183 478 D HA -0.123 4.516 4.640 -0.001 0.000 0.203 478 D C 0.688 176.984 176.300 -0.008 0.000 0.969 478 D CA 0.364 54.362 54.000 -0.004 0.000 0.842 478 D CB -0.103 40.695 40.800 -0.003 0.000 0.957 478 D HN 0.144 nan 8.370 nan 0.000 0.484 479 I N 1.867 122.433 120.570 -0.006 0.000 2.664 479 I HA -0.028 4.141 4.170 -0.001 0.000 0.284 479 I C 0.833 176.940 176.117 -0.017 0.000 1.154 479 I CA -0.034 61.259 61.300 -0.011 0.000 1.402 479 I CB 0.101 38.098 38.000 -0.004 0.000 1.395 479 I HN -0.068 nan 8.210 nan 0.000 0.545 480 K N 8.116 128.500 120.400 -0.026 0.000 2.201 480 K HA 0.522 4.841 4.320 -0.001 0.000 0.278 480 K C -1.150 175.422 176.600 -0.046 0.000 1.027 480 K CA -0.559 55.708 56.287 -0.033 0.000 0.909 480 K CB 1.017 33.496 32.500 -0.035 0.000 1.062 480 K HN 0.598 nan 8.250 nan 0.000 0.465 481 L N 5.459 126.656 121.223 -0.045 0.000 2.317 481 L HA 0.468 4.808 4.340 -0.001 0.000 0.281 481 L C -0.267 176.557 176.870 -0.075 0.000 1.024 481 L CA -1.087 53.717 54.840 -0.060 0.000 0.810 481 L CB 1.523 43.559 42.059 -0.038 0.000 1.240 481 L HN 0.589 nan 8.230 nan 0.000 0.427 482 I N 1.816 122.317 120.570 -0.115 0.000 2.336 482 I HA 0.243 4.412 4.170 -0.001 0.000 0.292 482 I C -0.319 175.725 176.117 -0.122 0.000 0.991 482 I CA -0.292 60.934 61.300 -0.123 0.000 1.227 482 I CB 1.506 39.407 38.000 -0.164 0.000 1.366 482 I HN 0.464 nan 8.210 nan 0.000 0.466 483 D N 5.632 125.985 120.400 -0.078 0.000 2.232 483 D HA 0.251 4.890 4.640 -0.001 0.000 0.242 483 D C 0.470 176.740 176.300 -0.050 0.000 1.093 483 D CA -0.226 53.742 54.000 -0.054 0.000 0.845 483 D CB 1.743 42.525 40.800 -0.030 0.000 1.124 483 D HN 0.297 nan 8.370 nan 0.000 0.467 484 I N 3.006 123.557 120.570 -0.031 0.000 3.228 484 I HA 0.124 4.293 4.170 -0.001 0.000 0.279 484 I C 1.024 177.143 176.117 0.003 0.000 1.221 484 I CA 0.333 61.634 61.300 0.001 0.000 1.458 484 I CB -1.169 36.883 38.000 0.088 0.000 1.105 484 I HN 0.645 nan 8.210 nan 0.000 0.445 485 A N 1.044 123.851 122.820 -0.022 0.000 2.560 485 A HA -0.222 4.098 4.320 -0.001 0.000 0.299 485 A C 0.478 178.039 177.584 -0.039 0.000 1.484 485 A CA 0.362 52.377 52.037 -0.036 0.000 0.749 485 A CB -2.560 16.426 19.000 -0.023 0.000 1.072 485 A HN 0.387 nan 8.150 nan 0.000 0.426 486 L N 0.836 122.019 121.223 -0.068 0.000 2.461 486 L HA 0.337 4.676 4.340 -0.001 0.000 0.272 486 L C 1.447 178.273 176.870 -0.072 0.000 1.197 486 L CA 0.373 55.174 54.840 -0.066 0.000 0.836 486 L CB 0.815 42.808 42.059 -0.109 0.000 1.105 486 L HN 0.809 nan 8.230 nan 0.000 0.477 487 S N 1.268 116.944 115.700 -0.040 0.000 2.593 487 S HA 0.086 4.555 4.470 -0.001 0.000 0.269 487 S C 0.895 175.475 174.600 -0.034 0.000 1.334 487 S CA -0.479 57.703 58.200 -0.032 0.000 1.015 487 S CB 1.335 64.525 63.200 -0.016 0.000 0.912 487 S HN 0.675 nan 8.310 nan 0.000 0.541 488 K N 1.506 121.895 120.400 -0.020 0.000 2.044 488 K HA -0.137 4.182 4.320 -0.001 0.000 0.210 488 K C 1.850 178.457 176.600 0.011 0.000 1.049 488 K CA 2.629 58.916 56.287 -0.001 0.000 0.927 488 K CB -1.424 31.086 32.500 0.016 0.000 0.713 488 K HN 0.709 nan 8.250 nan 0.000 0.443 489 T N 0.818 115.374 114.554 0.004 0.000 2.857 489 T HA -0.059 4.291 4.350 -0.001 0.000 0.266 489 T C 1.020 175.716 174.700 -0.006 0.000 1.048 489 T CA 1.472 63.573 62.100 0.000 0.000 1.139 489 T CB -0.367 68.497 68.868 -0.006 0.000 0.874 489 T HN 0.334 nan 8.240 nan 0.000 0.455 490 D N 1.305 121.703 120.400 -0.004 0.000 2.149 490 D HA -0.055 4.585 4.640 -0.001 0.000 0.201 490 D C 2.405 178.726 176.300 0.036 0.000 0.972 490 D CA 1.265 55.266 54.000 0.003 0.000 0.835 490 D CB -0.488 40.317 40.800 0.009 0.000 0.966 490 D HN 0.474 nan 8.370 nan 0.000 0.476 491 S N 0.063 115.785 115.700 0.037 0.000 2.447 491 S HA -0.083 4.386 4.470 -0.001 0.000 0.233 491 S C 1.491 176.233 174.600 0.237 0.000 1.006 491 S CA 0.537 58.806 58.200 0.115 0.000 0.957 491 S CB -0.056 63.110 63.200 -0.057 0.000 0.773 491 S HN 0.159 nan 8.310 nan 0.000 0.507 492 R N 0.405 120.972 120.500 0.112 0.000 2.546 492 R HA 0.311 4.650 4.340 -0.001 0.000 0.320 492 R C 1.567 177.867 176.300 -0.000 0.000 1.021 492 R CA -0.175 55.969 56.100 0.074 0.000 1.088 492 R CB 0.043 30.379 30.300 0.060 0.000 1.278 492 R HN 0.458 nan 8.270 nan 0.000 0.557 493 K N 0.604 120.968 120.400 -0.061 0.000 2.057 493 K HA -0.137 4.182 4.320 -0.001 0.000 0.207 493 K C 0.446 176.826 176.600 -0.367 0.000 1.049 493 K CA 1.550 57.684 56.287 -0.255 0.000 0.931 493 K CB 0.109 32.374 32.500 -0.392 0.000 0.714 493 K HN 0.152 nan 8.250 nan 0.000 0.440 494 Y N 0.886 121.184 120.300 -0.003 0.000 2.493 494 Y HA 0.122 4.671 4.550 -0.002 0.000 0.275 494 Y C 1.763 177.643 175.900 -0.033 0.000 1.183 494 Y CA -0.087 57.999 58.100 -0.024 0.000 1.258 494 Y CB 0.149 38.582 38.460 -0.045 0.000 1.108 494 Y HN 0.246 nan 8.280 nan 0.000 0.521 495 E N 0.795 121.042 120.200 0.077 0.000 2.049 495 E HA -0.256 4.093 4.350 -0.001 0.000 0.198 495 E C 1.538 178.260 176.600 0.203 0.000 1.007 495 E CA 1.679 58.145 56.400 0.110 0.000 0.809 495 E CB 0.079 29.854 29.700 0.125 0.000 0.749 495 E HN 0.393 nan 8.360 nan 0.000 0.450 496 N N 0.145 118.931 118.700 0.143 0.000 2.188 496 N HA -0.103 4.636 4.740 -0.001 0.000 0.184 496 N C 1.658 177.236 175.510 0.113 0.000 1.018 496 N CA 1.165 54.298 53.050 0.139 0.000 0.858 496 N CB -0.426 38.098 38.487 0.063 0.000 0.989 496 N HN 0.252 nan 8.380 nan 0.000 0.426 497 A N 0.818 123.694 122.820 0.093 0.000 1.917 497 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 497 A C 2.526 180.105 177.584 -0.008 0.000 1.182 497 A CA 1.540 53.619 52.037 0.069 0.000 0.633 497 A CB -0.844 18.267 19.000 0.185 0.000 0.819 497 A HN 0.113 nan 8.150 nan 0.000 0.448 498 V N -2.340 117.564 119.914 -0.017 0.000 2.307 498 V HA -0.267 3.852 4.120 -0.001 0.000 0.245 498 V C 2.276 178.267 176.094 -0.171 0.000 1.045 498 V CA 1.834 64.056 62.300 -0.130 0.000 1.024 498 V CB -1.003 30.675 31.823 -0.242 0.000 0.651 498 V HN 0.800 nan 8.190 nan 0.000 0.449 499 W N 0.273 121.526 121.300 -0.078 0.000 2.358 499 W HA -0.128 4.530 4.660 -0.004 0.000 0.303 499 W C 2.336 178.799 176.519 -0.093 0.000 1.208 499 W CA 1.268 58.564 57.345 -0.082 0.000 1.274 499 W CB -0.499 28.914 29.460 -0.078 0.000 1.138 499 W HN 0.252 nan 8.180 nan 0.000 0.515 500 D N -0.438 120.027 120.400 0.108 0.000 2.133 500 D HA -0.264 4.375 4.640 -0.001 0.000 0.195 500 D C 1.920 178.163 176.300 -0.096 0.000 0.997 500 D CA 1.813 55.818 54.000 0.008 0.000 0.840 500 D CB -0.592 40.200 40.800 -0.014 0.000 0.947 500 D HN 0.317 nan 8.370 nan 0.000 0.452 501 Q N -1.369 118.281 119.800 -0.250 0.000 2.165 501 Q HA -0.077 4.262 4.340 -0.001 0.000 0.197 501 Q C 0.786 176.491 176.000 -0.492 0.000 0.952 501 Q CA 0.769 56.264 55.803 -0.513 0.000 0.848 501 Q CB 0.195 28.358 28.738 -0.957 0.000 0.931 501 Q HN 0.298 nan 8.270 nan 0.000 0.470 502 Y N -0.544 119.678 120.300 -0.130 0.000 2.531 502 Y HA 0.231 4.780 4.550 -0.001 0.000 0.249 502 Y C 1.359 177.163 175.900 -0.161 0.000 1.168 502 Y CA -0.266 57.720 58.100 -0.191 0.000 1.226 502 Y CB 0.410 38.665 38.460 -0.341 0.000 1.177 502 Y HN 0.024 nan 8.280 nan 0.000 0.527 503 K N 1.525 121.964 120.400 0.065 0.000 2.107 503 K HA -0.270 4.049 4.320 -0.001 0.000 0.211 503 K C 1.455 178.057 176.600 0.002 0.000 1.049 503 K CA 2.279 58.649 56.287 0.138 0.000 0.927 503 K CB -0.420 32.182 32.500 0.169 0.000 0.714 503 K HN 0.271 nan 8.250 nan 0.000 0.452 504 D N -0.624 119.794 120.400 0.030 0.000 2.350 504 D HA -0.060 4.579 4.640 -0.001 0.000 0.216 504 D C 1.417 177.800 176.300 0.137 0.000 0.968 504 D CA 0.602 54.647 54.000 0.076 0.000 0.894 504 D CB 0.083 40.988 40.800 0.174 0.000 0.909 504 D HN 0.336 nan 8.370 nan 0.000 0.520 505 L N -0.899 120.370 121.223 0.076 0.000 2.492 505 L HA 0.127 4.466 4.340 -0.001 0.000 0.223 505 L C 0.494 177.475 176.870 0.186 0.000 1.132 505 L CA -0.041 54.859 54.840 0.100 0.000 0.850 505 L CB 0.167 42.155 42.059 -0.119 0.000 0.966 505 L HN 0.186 nan 8.230 nan 0.000 0.454 506 C N -0.364 119.022 119.300 0.144 0.000 2.516 506 C HA 0.351 4.810 4.460 -0.001 0.000 0.338 506 C C 0.771 175.924 174.990 0.271 0.000 1.132 506 C CA -0.553 58.689 59.018 0.374 0.000 1.310 506 C CB 0.655 28.655 27.740 0.432 0.000 1.898 506 C HN 0.325 nan 8.230 nan 0.000 0.452 507 H N 4.368 123.658 119.070 0.365 0.000 2.486 507 H HA 0.091 4.645 4.556 -0.003 0.000 0.284 507 H C 1.059 176.490 175.328 0.171 0.000 1.103 507 H CA -0.053 56.141 56.048 0.242 0.000 1.089 507 H CB 0.695 30.542 29.762 0.141 0.000 1.603 507 H HN 0.603 nan 8.280 nan 0.000 0.557 508 M N 0.372 120.124 119.600 0.254 0.000 2.556 508 M HA 0.017 4.497 4.480 -0.001 0.000 0.245 508 M C 0.054 176.227 176.300 -0.212 0.000 1.128 508 M CA 0.701 55.945 55.300 -0.094 0.000 1.069 508 M CB 0.093 32.517 32.600 -0.293 0.000 1.469 508 M HN 0.120 nan 8.290 nan 0.000 0.494 509 H N -0.034 119.129 119.070 0.155 0.000 2.683 509 H HA 0.350 4.905 4.556 -0.002 0.000 0.270 509 H C 0.764 176.117 175.328 0.042 0.000 1.201 509 H CA 0.397 56.517 56.048 0.120 0.000 1.277 509 H CB 0.283 30.142 29.762 0.163 0.000 1.400 509 H HN 0.265 nan 8.280 nan 0.000 0.504 510 T N -0.731 113.877 114.554 0.090 0.000 2.990 510 T HA 0.127 4.477 4.350 -0.001 0.000 0.249 510 T C 1.353 176.060 174.700 0.012 0.000 1.039 510 T CA -0.026 62.098 62.100 0.041 0.000 1.036 510 T CB 0.475 69.358 68.868 0.025 0.000 0.994 510 T HN 0.421 nan 8.240 nan 0.000 0.489 511 G N 1.517 110.328 108.800 0.017 0.000 2.467 511 G HA2 0.491 4.450 3.960 -0.001 0.000 0.257 511 G HA3 0.491 4.450 3.960 -0.001 0.000 0.257 511 G C -0.408 174.469 174.900 -0.039 0.000 1.227 511 G CA -0.495 44.595 45.100 -0.016 0.000 0.835 511 G HN 0.315 nan 8.290 nan 0.000 0.556 512 V N 1.693 121.573 119.914 -0.056 0.000 2.521 512 V HA 0.126 4.245 4.120 -0.001 0.000 0.286 512 V C 0.425 176.466 176.094 -0.088 0.000 1.034 512 V CA -0.131 62.128 62.300 -0.067 0.000 1.045 512 V CB 0.969 32.756 31.823 -0.060 0.000 0.974 512 V HN 0.425 nan 8.190 nan 0.000 0.480 513 V N 6.371 126.234 119.914 -0.084 0.000 2.547 513 V HA 0.657 4.776 4.120 -0.001 0.000 0.299 513 V C -0.050 176.009 176.094 -0.059 0.000 1.040 513 V CA -0.432 61.809 62.300 -0.098 0.000 0.913 513 V CB 1.886 33.646 31.823 -0.106 0.000 0.992 513 V HN 0.769 nan 8.190 nan 0.000 0.449 514 V N 1.817 121.718 119.914 -0.022 0.000 2.962 514 V HA 0.876 4.995 4.120 -0.001 0.000 0.313 514 V C -0.760 175.404 176.094 0.118 0.000 1.099 514 V CA -0.658 61.667 62.300 0.042 0.000 0.971 514 V CB 2.071 33.923 31.823 0.049 0.000 1.028 514 V HN 1.029 nan 8.190 nan 0.000 0.430 515 E N 1.870 122.108 120.200 0.064 0.000 2.266 515 E HA 0.552 4.901 4.350 -0.001 0.000 0.268 515 E C -1.258 175.347 176.600 0.010 0.000 0.879 515 E CA -1.093 55.326 56.400 0.032 0.000 0.762 515 E CB 2.598 32.301 29.700 0.005 0.000 1.199 515 E HN 0.739 nan 8.360 nan 0.000 0.422 516 K N 2.199 122.579 120.400 -0.033 0.000 2.202 516 K HA 0.230 4.550 4.320 -0.001 0.000 0.264 516 K C -0.056 176.528 176.600 -0.027 0.000 1.010 516 K CA -0.391 55.878 56.287 -0.031 0.000 0.940 516 K CB 0.886 33.347 32.500 -0.065 0.000 0.983 516 K HN 0.346 nan 8.250 nan 0.000 0.475 523 E N 0.775 120.981 120.200 0.009 0.000 2.266 523 E HA 0.199 4.548 4.350 -0.001 0.000 0.268 523 E C -1.297 175.302 176.600 -0.001 0.000 0.879 523 E CA -0.935 55.466 56.400 0.001 0.000 0.762 523 E CB 2.574 32.274 29.700 0.000 0.000 1.199 523 E HN 0.439 nan 8.360 nan 0.000 0.422 524 E N 2.318 122.511 120.200 -0.012 0.000 2.316 524 E HA 0.239 4.588 4.350 -0.001 0.000 0.275 524 E C -0.305 176.282 176.600 -0.023 0.000 1.029 524 E CA -0.054 56.332 56.400 -0.022 0.000 0.871 524 E CB 0.688 30.369 29.700 -0.033 0.000 1.022 524 E HN 0.328 nan 8.360 nan 0.000 0.418 525 I N -1.070 119.485 120.570 -0.025 0.000 3.067 525 I HA 0.457 4.626 4.170 -0.001 0.000 0.312 525 I C -0.187 175.903 176.117 -0.046 0.000 1.073 525 I CA -0.934 60.356 61.300 -0.017 0.000 1.016 525 I CB 2.089 40.103 38.000 0.022 0.000 1.227 525 I HN 0.117 nan 8.210 nan 0.000 0.456 526 T N 4.352 118.881 114.554 -0.042 0.000 2.834 526 T HA 0.272 4.621 4.350 -0.001 0.000 0.298 526 T C -2.306 172.384 174.700 -0.015 0.000 0.966 526 T CA -0.413 61.614 62.100 -0.122 0.000 1.141 526 T CB 0.104 68.875 68.868 -0.162 0.000 0.905 526 T HN 0.467 nan 8.240 nan 0.000 0.535 527 P HA 0.070 nan 4.420 nan 0.000 0.269 527 P C -0.309 177.129 177.300 0.230 0.000 1.217 527 P CA -0.094 63.020 63.100 0.022 0.000 0.783 527 P CB 0.330 32.030 31.700 0.000 0.000 0.898 528 H N -0.280 118.835 119.070 0.077 0.000 2.488 528 H HA 0.396 4.951 4.556 -0.002 0.000 0.322 528 H C -0.388 174.949 175.328 0.016 0.000 1.078 528 H CA -0.827 55.274 56.048 0.089 0.000 1.260 528 H CB 0.890 30.720 29.762 0.113 0.000 1.425 528 H HN 0.411 nan 8.280 nan 0.000 0.471 529 C N 3.336 122.640 119.300 0.007 0.000 2.408 529 C HA 0.529 4.988 4.460 -0.001 0.000 0.321 529 C C 1.794 176.704 174.990 -0.133 0.000 1.245 529 C CA -0.208 58.726 59.018 -0.140 0.000 1.523 529 C CB -0.508 27.018 27.740 -0.357 0.000 2.178 529 C HN 1.007 nan 8.230 nan 0.000 0.488 530 A N 4.096 126.897 122.820 -0.032 0.000 1.927 530 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 530 A C 1.851 179.249 177.584 -0.310 0.000 1.185 530 A CA 2.343 54.308 52.037 -0.120 0.000 0.639 530 A CB -0.631 18.330 19.000 -0.066 0.000 0.820 530 A HN 1.088 nan 8.150 nan 0.000 0.451 531 L N -0.973 119.964 121.223 -0.477 0.000 2.005 531 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 531 L C 2.424 178.865 176.870 -0.715 0.000 1.072 531 L CA 2.049 56.497 54.840 -0.653 0.000 0.744 531 L CB -0.497 41.015 42.059 -0.912 0.000 0.895 531 L HN 0.331 nan 8.230 nan 0.000 0.433 532 M N -0.939 118.200 119.600 -0.768 0.000 2.279 532 M HA -0.178 4.302 4.480 -0.001 0.000 0.264 532 M C 1.826 177.646 176.300 -0.801 0.000 1.062 532 M CA 1.221 55.992 55.300 -0.880 0.000 1.099 532 M CB -1.463 30.383 32.600 -1.257 0.000 1.394 532 M HN 0.252 nan 8.290 nan 0.000 0.426 533 D N 0.135 120.082 120.400 -0.756 0.000 2.117 533 D HA -0.082 4.557 4.640 -0.001 0.000 0.198 533 D C 2.175 177.717 176.300 -1.264 0.000 0.982 533 D CA 1.002 54.334 54.000 -1.113 0.000 0.828 533 D CB -0.164 40.174 40.800 -0.770 0.000 0.967 533 D HN 0.324 nan 8.370 nan 0.000 0.464 534 C N 0.339 119.219 119.300 -0.701 0.000 2.413 534 C HA -0.113 4.346 4.460 -0.001 0.000 0.277 534 C C 2.804 177.366 174.990 -0.713 0.000 1.228 534 C CA 0.198 58.902 59.018 -0.524 0.000 1.731 534 C CB -1.019 26.599 27.740 -0.203 0.000 2.042 534 C HN 0.348 nan 8.230 nan 0.000 0.468 535 I N 1.662 121.773 120.570 -0.764 0.000 2.163 535 I HA -0.301 3.868 4.170 -0.001 0.000 0.243 535 I C 2.673 178.492 176.117 -0.498 0.000 1.085 535 I CA 2.282 63.160 61.300 -0.703 0.000 1.347 535 I CB -0.493 37.009 38.000 -0.829 0.000 1.044 535 I HN 0.485 nan 8.210 nan 0.000 0.408 536 M N -0.456 118.808 119.600 -0.560 0.000 2.254 536 M HA -0.110 4.369 4.480 -0.001 0.000 0.265 536 M C 1.936 178.121 176.300 -0.192 0.000 1.066 536 M CA 1.788 56.884 55.300 -0.340 0.000 1.123 536 M CB -0.512 31.898 32.600 -0.317 0.000 1.388 536 M HN -0.044 nan 8.290 nan 0.000 0.425 537 F N 1.846 121.546 119.950 -0.418 0.000 2.146 537 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 537 F C 2.208 177.666 175.800 -0.570 0.000 1.096 537 F CA 1.498 59.200 58.000 -0.496 0.000 1.275 537 F CB -1.469 37.108 39.000 -0.704 0.000 1.008 537 F HN 0.356 nan 8.300 nan 0.000 0.480 538 D N 0.001 120.003 120.400 -0.665 0.000 2.117 538 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 538 D C 2.214 178.471 176.300 -0.071 0.000 0.987 538 D CA 1.346 55.153 54.000 -0.321 0.000 0.829 538 D CB -0.127 40.484 40.800 -0.315 0.000 0.961 538 D HN 0.105 nan 8.370 nan 0.000 0.460 539 A N 0.299 123.023 122.820 -0.161 0.000 1.969 539 A HA 0.091 4.411 4.320 -0.001 0.000 0.218 539 A C 2.341 179.841 177.584 -0.141 0.000 1.169 539 A CA 1.854 53.721 52.037 -0.283 0.000 0.635 539 A CB -0.941 17.735 19.000 -0.540 0.000 0.810 539 A HN 0.337 nan 8.150 nan 0.000 0.445 540 A N -0.602 122.301 122.820 0.139 0.000 1.898 540 A HA 0.023 4.342 4.320 -0.001 0.000 0.216 540 A C 2.183 179.890 177.584 0.204 0.000 1.181 540 A CA 1.723 53.947 52.037 0.311 0.000 0.620 540 A CB -0.774 18.381 19.000 0.259 0.000 0.819 540 A HN 0.366 nan 8.150 nan 0.000 0.442 541 V N -0.226 119.791 119.914 0.172 0.000 2.453 541 V HA -0.125 3.994 4.120 -0.001 0.000 0.247 541 V C 2.203 178.379 176.094 0.136 0.000 1.048 541 V CA 2.115 64.526 62.300 0.186 0.000 1.049 541 V CB -0.313 31.696 31.823 0.310 0.000 0.672 541 V HN 0.506 nan 8.190 nan 0.000 0.457 542 S N -0.167 115.593 115.700 0.101 0.000 2.605 542 S HA 0.274 4.743 4.470 -0.001 0.000 0.217 542 S C 1.397 176.021 174.600 0.041 0.000 0.958 542 S CA 0.487 58.722 58.200 0.058 0.000 0.919 542 S CB 0.167 63.385 63.200 0.030 0.000 0.780 542 S HN 0.814 nan 8.310 nan 0.000 0.507 543 G N 1.531 110.386 108.800 0.092 0.000 2.395 543 G HA2 0.091 4.050 3.960 -0.001 0.000 0.292 543 G HA3 0.091 4.050 3.960 -0.001 0.000 0.292 543 G C 0.280 175.226 174.900 0.076 0.000 0.953 543 G CA 0.213 45.408 45.100 0.159 0.000 1.207 543 G HN 1.002 nan 8.290 nan 0.000 0.503 544 G N -1.445 107.219 108.800 -0.227 0.000 2.368 544 G HA2 0.523 4.482 3.960 -0.001 0.000 0.301 544 G HA3 0.523 4.482 3.960 -0.001 0.000 0.301 544 G C -1.332 173.250 174.900 -0.530 0.000 1.640 544 G CA -0.289 44.597 45.100 -0.356 0.000 0.941 544 G HN 1.393 nan 8.290 nan 0.000 0.695 545 L N 1.680 122.625 121.223 -0.462 0.000 2.325 545 L HA 0.687 5.026 4.340 -0.001 0.000 0.281 545 L C -0.249 176.552 176.870 -0.116 0.000 1.004 545 L CA -0.954 53.711 54.840 -0.291 0.000 0.823 545 L CB 1.521 43.416 42.059 -0.274 0.000 1.236 545 L HN 0.566 nan 8.230 nan 0.000 0.415 546 N N 1.853 120.523 118.700 -0.049 0.000 2.495 546 N HA 0.411 5.150 4.740 -0.001 0.000 0.280 546 N C -0.986 174.538 175.510 0.022 0.000 1.168 546 N CA -0.314 52.733 53.050 -0.006 0.000 0.978 546 N CB 1.584 40.079 38.487 0.014 0.000 1.191 546 N HN 0.574 nan 8.380 nan 0.000 0.497 547 T N 0.787 115.349 114.554 0.013 0.000 2.832 547 T HA 0.429 4.778 4.350 -0.001 0.000 0.313 547 T C -0.281 174.450 174.700 0.050 0.000 1.035 547 T CA -0.319 61.786 62.100 0.007 0.000 0.950 547 T CB 0.130 68.986 68.868 -0.021 0.000 0.984 547 T HN 0.400 nan 8.240 nan 0.000 0.486 548 S N 2.158 117.921 115.700 0.105 0.000 2.578 548 S HA 0.475 4.944 4.470 -0.001 0.000 0.272 548 S C -0.552 174.165 174.600 0.194 0.000 1.145 548 S CA -0.893 57.380 58.200 0.122 0.000 0.835 548 S CB 0.892 64.154 63.200 0.103 0.000 1.104 548 S HN 0.659 nan 8.310 nan 0.000 0.458 549 V N 2.231 122.243 119.914 0.163 0.000 2.694 549 V HA 0.425 4.544 4.120 -0.001 0.000 0.306 549 V C 0.043 176.244 176.094 0.178 0.000 1.054 549 V CA -0.177 62.234 62.300 0.184 0.000 1.161 549 V CB -0.406 31.504 31.823 0.144 0.000 0.916 549 V HN 0.669 nan 8.190 nan 0.000 0.490 550 L N 4.845 126.171 121.223 0.172 0.000 2.416 550 L HA 0.602 4.942 4.340 -0.001 0.000 0.262 550 L C 0.679 177.717 176.870 0.280 0.000 1.093 550 L CA -0.081 54.874 54.840 0.192 0.000 0.801 550 L CB 1.172 43.245 42.059 0.023 0.000 1.191 550 L HN 0.700 nan 8.230 nan 0.000 0.459 551 R N 1.297 121.958 120.500 0.268 0.000 2.388 551 R HA 0.614 4.953 4.340 -0.001 0.000 0.314 551 R C -0.848 175.294 176.300 -0.264 0.000 0.959 551 R CA -0.760 55.389 56.100 0.081 0.000 0.851 551 R CB 1.491 31.825 30.300 0.057 0.000 1.168 551 R HN 0.696 nan 8.270 nan 0.000 0.472 552 A N 3.214 125.763 122.820 -0.452 0.000 2.476 552 A HA 0.111 4.430 4.320 -0.001 0.000 0.275 552 A C 1.331 178.680 177.584 -0.393 0.000 1.133 552 A CA -0.346 51.166 52.037 -0.875 0.000 0.797 552 A CB 0.325 19.099 19.000 -0.377 0.000 1.081 552 A HN 0.653 nan 8.150 nan 0.000 0.510 553 V N 3.955 123.648 119.914 -0.369 0.000 2.295 553 V HA -0.155 3.964 4.120 -0.001 0.000 0.246 553 V C 1.233 177.270 176.094 -0.094 0.000 1.049 553 V CA 1.338 63.547 62.300 -0.153 0.000 1.024 553 V CB -0.717 31.051 31.823 -0.092 0.000 0.648 553 V HN 0.704 nan 8.190 nan 0.000 0.447 554 L N 2.448 123.620 121.223 -0.084 0.000 2.331 554 L HA 0.279 4.618 4.340 -0.001 0.000 0.278 554 L C -2.068 174.799 176.870 -0.005 0.000 1.106 554 L CA -1.685 53.135 54.840 -0.033 0.000 0.824 554 L CB 0.294 42.351 42.059 -0.003 0.000 1.142 554 L HN 0.133 nan 8.230 nan 0.000 0.443 555 P HA 0.015 nan 4.420 nan 0.000 0.267 555 P C 0.223 177.583 177.300 0.100 0.000 1.205 555 P CA -0.204 62.928 63.100 0.053 0.000 0.765 555 P CB 0.722 32.448 31.700 0.044 0.000 0.828 556 R N 2.334 122.920 120.500 0.144 0.000 2.159 556 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 556 R C 0.544 176.983 176.300 0.232 0.000 1.131 556 R CA 1.519 57.753 56.100 0.223 0.000 0.982 556 R CB -0.334 30.084 30.300 0.196 0.000 0.868 556 R HN 0.390 nan 8.270 nan 0.000 0.453 557 D N -0.171 120.332 120.400 0.172 0.000 2.403 557 D HA -0.140 4.500 4.640 -0.001 0.000 0.227 557 D C 1.373 177.736 176.300 0.105 0.000 0.995 557 D CA 0.806 54.901 54.000 0.158 0.000 0.928 557 D CB 0.167 41.068 40.800 0.169 0.000 0.887 557 D HN 0.385 nan 8.370 nan 0.000 0.529 558 M N -1.787 117.875 119.600 0.104 0.000 2.251 558 M HA 0.056 4.535 4.480 -0.001 0.000 0.308 558 M C 0.577 176.898 176.300 0.035 0.000 0.967 558 M CA 0.244 55.567 55.300 0.038 0.000 1.103 558 M CB 0.803 33.391 32.600 -0.021 0.000 1.815 558 M HN -0.184 nan 8.290 nan 0.000 0.623 559 V N 0.756 120.733 119.914 0.105 0.000 2.719 559 V HA 0.119 4.238 4.120 -0.001 0.000 0.252 559 V C 0.300 176.287 176.094 -0.179 0.000 1.065 559 V CA 1.085 63.381 62.300 -0.006 0.000 1.086 559 V CB -0.578 31.289 31.823 0.073 0.000 0.700 559 V HN 0.324 nan 8.190 nan 0.000 0.467 560 F N 0.126 120.138 119.950 0.104 0.000 2.546 560 F HA 0.630 5.157 4.527 0.000 0.000 0.320 560 F C 0.658 176.492 175.800 0.057 0.000 1.076 560 F CA -1.226 56.827 58.000 0.088 0.000 0.928 560 F CB 1.336 40.387 39.000 0.086 0.000 1.189 560 F HN -0.069 nan 8.300 nan 0.000 0.465 561 R N 0.000 120.631 120.500 0.218 0.000 2.786 561 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 561 R CA 0.000 56.177 56.100 0.128 0.000 0.921 561 R CB 0.000 30.344 30.300 0.073 0.000 0.687 561 R HN 0.000 nan 8.270 nan 0.000 0.535